USER MOD reduce.3.24.130724 H: found=0, std=0, add=1721, rem=0, adj=67 USER MOD reduce.3.24.130724 removed 1727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 14 SER OG : rot -78:sc= 0.293 USER MOD Set 1.2: B 90 THR OG1 : rot -90:sc= 1.25 USER MOD Set 1.3: B 110 ASN : amide:sc= 1.58 K(o=3.1,f=2.6) USER MOD Set 2.1: B 16 HIS : no HE2:sc= 2.24 K(o=5,f=-17!) USER MOD Set 2.2: B 92 SER OG : rot -60:sc= 1.36 USER MOD Set 2.3: B 108 CYS SG : rot 118:sc= 1.36 USER MOD Set 3.1: B 73 SER OG : rot 180:sc= 0.741 USER MOD Set 3.2: B 91 SER OG : rot -87:sc= 0.778 USER MOD Set 4.1: B 35 TYR OH : rot 69:sc= 0.86 USER MOD Set 4.2: B 83 GLN : amide:sc= 0.535 K(o=1.4,f=-5.2!) USER MOD Set 5.1: A 70 GLN :FLIP amide:sc= 0.378 F(o=-2.4!,f=0.84) USER MOD Set 5.2: A 109 SER OG : rot 101:sc= 0.462 USER MOD Set 6.1: A 92 ASN : amide:sc= 2.48 K(o=3.1,f=-12!) USER MOD Set 6.2: A 95 ASN : amide:sc= 0 K(o=3.1,f=0.64!) USER MOD Set 6.3: A 99 GLN : amide:sc= 0.602 K(o=3.1,f=-9.1!) USER MOD Set 7.1: A 86 GLN : amide:sc= 1.1 K(o=4.3,f=0.95!) USER MOD Set 7.2: A 106 TYR OH : rot 6:sc= 1.85 USER MOD Set 7.3: B 96 GLN : amide:sc= 1.39 K(o=4.3,f=0.4!) USER MOD Set 8.1: A 71 TYR OH : rot 150:sc= 0.991 USER MOD Set 8.2: A 85 THR OG1 : rot 149:sc= 1.19 USER MOD Set 8.3: A 105 ASN : amide:sc= -3.38! C(o=-1.2!,f=-3.1!) USER MOD Set 9.1: A 65 GLN : amide:sc= 1.12 K(o=2.5,f=-2.3!) USER MOD Set 9.2: A 88 THR OG1 : rot 141:sc= 1.14 USER MOD Set 9.3: B 70 GLN : amide:sc= 0.275 K(o=2.5,f=-3.5!) USER MOD Set10.1: A 59 ASN : amide:sc= 1.07 K(o=2.3,f=-11!) USER MOD Set10.2: A 63 LYS NZ :NH3+ -171:sc= 1.27 (180deg=-0.0951) USER MOD Set11.1: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set11.2: A 53 MET CE :methyl -138:sc= -0.161 (180deg=-0.71) USER MOD Set12.1: A 42 TYR OH : rot 35:sc= 0.693 USER MOD Set12.2: A 57 HIS : no HD1:sc= 0.678 K(o=1.4,f=-3.9!) USER MOD Set13.1: A 13 SER OG : rot 180:sc= 0.702 USER MOD Set13.2: A 19 THR OG1 : rot -95:sc= 0.791 USER MOD Set14.1: A 10 SER OG : rot 7:sc= 0.373 USER MOD Set14.2: A 12 HIS : no HE2:sc= -0.658! K(o=0.75!,f=-4.9) USER MOD Set14.3: A 45 TYR OH : rot 80:sc= 0.447 USER MOD Set14.4: A 103 CYS SG : rot 128:sc= 0.584 USER MOD Set15.1: A 7 THR OG1 : rot 95:sc= 0.225 USER MOD Set15.2: B 97 ASN : amide:sc= -0.478 K(o=-0.25,f=-1.9!) USER MOD Single : A 6 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.18) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 158:sc= 0.27 (180deg=-0.936!) USER MOD Single : A 20 TYR OH : rot 116:sc= 1.06 USER MOD Single : A 21 CYS SG : rot 98:sc= 0.74 USER MOD Single : A 26 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.086 K(o=-0.086,f=-0.95) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : +bothHN:sc= -3.55 K(o=-3.6,f=-8.8!) USER MOD Single : A 50 SER OG : rot -53:sc= 1.3 USER MOD Single : A 52 ASN : amide:sc= -1.48! C(o=-1.5!,f=-6.1!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0958 USER MOD Single : A 55 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.05) USER MOD Single : A 56 SER OG : rot 88:sc= 1.24 USER MOD Single : A 58 GLN : amide:sc= 0.044 X(o=0.044,f=0) USER MOD Single : A 61 CYS SG : rot 72:sc= 0.639 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 167:sc= 0 (180deg=-0.217) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -1.03 F(o=-1.7!,f=-1) USER MOD Single : A 80 TYR OH : rot 165:sc= 0.73 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD Single : A 100 CYS SG : rot 137:sc= 1.11 USER MOD Single : A 102 MET CE :methyl -142:sc= -0.5 (180deg=-5.19!) USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= 0.567 K(o=0.57,f=-5.6!) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.0845 USER MOD Single : B 17 ASN : amide:sc= -3.46! C(o=-3.5!,f=-11!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 HIS : no HD1:sc= 0.675 K(o=0.68,f=-5.6!) USER MOD Single : B 29 CYS SG : rot 90:sc= 0.926 USER MOD Single : B 32 THR OG1 : rot -97:sc= -0.736! USER MOD Single : B 36 GLN :FLIP amide:sc= -0.024 F(o=-2.5!,f=-0.024) USER MOD Single : B 38 GLN : amide:sc= -0.435 K(o=-0.44,f=-3.8!) USER MOD Single : B 43 LYS NZ :NH3+ 150:sc= 0.416 (180deg=-0.422!) USER MOD Single : B 44 ASN : amide:sc= 1.12 K(o=1.1,f=0.0014) USER MOD Single : B 49 CYS SG : rot 69:sc= -0.816 USER MOD Single : B 50 HIS : no HE2:sc= -0.366 K(o=-0.37,f=-5.6!) USER MOD Single : B 54 GLN : amide:sc= -0.0768 K(o=-0.077,f=-1) USER MOD Single : B 55 GLN : amide:sc= -0.662 K(o=-0.66,f=-1.5!) USER MOD Single : B 60 SER OG : rot 76:sc= 1.18 USER MOD Single : B 62 GLN :FLIP amide:sc= -0.0565 F(o=-0.71,f=-0.057) USER MOD Single : B 63 GLN : amide:sc= 0.115 X(o=0.11,f=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ -119:sc= 1.35 (180deg=0.451) USER MOD Single : B 75 MET CE :methyl 179:sc= -1.44 (180deg=-1.48) USER MOD Single : B 80 SER OG : rot 168:sc= 0.446 USER MOD Single : B 81 LYS NZ :NH3+ 164:sc= 0.0951 (180deg=-0.0303) USER MOD Single : B 82 ASN : amide:sc= 0.807 K(o=0.81,f=-0.29) USER MOD Single : B 88 MET CE :methyl 167:sc= -0.0284 (180deg=-0.171) USER MOD Single : B 94 THR OG1 : rot -129:sc= 1.1 USER MOD Single : B 99 TYR OH : rot 69:sc= 1.31 USER MOD Single : B 100 SER OG : rot 105:sc= 1.27 USER MOD Single : B 105 TYR OH : rot -4:sc= 1.17 USER MOD Single : B 109 THR OG1 : rot 160:sc= 1.11 USER MOD Single : B 111 THR OG1 : rot -90:sc= 0.568 USER MOD Single : B 112 ASN : amide:sc= 1.81 K(o=1.8,f=-3.9!) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -9.408 12.806 -3.461 1.00 0.00 N ATOM 2 CA LYS A 6 -9.834 11.925 -2.356 1.00 0.00 C ATOM 3 C LYS A 6 -9.485 10.479 -2.681 1.00 0.00 C ATOM 4 O LYS A 6 -10.182 9.816 -3.453 1.00 0.00 O ATOM 5 CB LYS A 6 -11.339 12.056 -2.126 1.00 0.00 C ATOM 6 CG LYS A 6 -11.849 13.484 -2.200 1.00 0.00 C ATOM 7 CD LYS A 6 -13.337 13.525 -2.498 1.00 0.00 C ATOM 8 CE LYS A 6 -13.749 14.872 -3.064 1.00 0.00 C ATOM 9 NZ LYS A 6 -15.046 14.796 -3.780 1.00 0.00 N ATOM 0 HA LYS A 6 -9.311 12.224 -1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.864 11.454 -2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.585 11.643 -1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.651 13.992 -1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.306 14.026 -2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.590 12.737 -3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.899 13.324 -1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.823 15.599 -2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.978 15.231 -3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.318 15.745 -4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.954 14.160 -4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.777 14.430 -3.137 1.00 0.00 H new ATOM 25 N THR A 7 -8.389 10.011 -2.112 1.00 0.00 N ATOM 26 CA THR A 7 -7.919 8.652 -2.315 1.00 0.00 C ATOM 27 C THR A 7 -7.248 8.162 -1.041 1.00 0.00 C ATOM 28 O THR A 7 -6.709 8.969 -0.285 1.00 0.00 O ATOM 29 CB THR A 7 -6.903 8.580 -3.474 1.00 0.00 C ATOM 30 OG1 THR A 7 -6.073 9.750 -3.465 1.00 0.00 O ATOM 31 CG2 THR A 7 -7.604 8.464 -4.819 1.00 0.00 C ATOM 0 H THR A 7 -7.797 10.565 -1.493 1.00 0.00 H new ATOM 0 HA THR A 7 -8.776 8.026 -2.565 1.00 0.00 H new ATOM 0 HB THR A 7 -6.291 7.690 -3.330 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.245 9.560 -2.976 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.860 8.415 -5.614 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.212 7.560 -4.835 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.243 9.334 -4.973 1.00 0.00 H new ATOM 39 N PHE A 8 -7.286 6.864 -0.784 1.00 0.00 N ATOM 40 CA PHE A 8 -6.648 6.326 0.408 1.00 0.00 C ATOM 41 C PHE A 8 -6.202 4.885 0.182 1.00 0.00 C ATOM 42 O PHE A 8 -6.928 4.069 -0.392 1.00 0.00 O ATOM 43 CB PHE A 8 -7.570 6.475 1.641 1.00 0.00 C ATOM 44 CG PHE A 8 -8.281 5.226 2.102 1.00 0.00 C ATOM 45 CD1 PHE A 8 -9.513 4.874 1.574 1.00 0.00 C ATOM 46 CD2 PHE A 8 -7.727 4.420 3.086 1.00 0.00 C ATOM 47 CE1 PHE A 8 -10.177 3.743 2.013 1.00 0.00 C ATOM 48 CE2 PHE A 8 -8.386 3.286 3.526 1.00 0.00 C ATOM 49 CZ PHE A 8 -9.612 2.948 2.988 1.00 0.00 C ATOM 0 H PHE A 8 -7.745 6.171 -1.375 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.749 6.906 0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.973 6.854 2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.321 7.233 1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.961 5.491 0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.770 4.681 3.513 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.137 3.483 1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.942 2.665 4.290 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.127 2.063 3.330 1.00 0.00 H new ATOM 59 N LEU A 9 -4.978 4.599 0.603 1.00 0.00 N ATOM 60 CA LEU A 9 -4.397 3.274 0.461 1.00 0.00 C ATOM 61 C LEU A 9 -4.909 2.366 1.572 1.00 0.00 C ATOM 62 O LEU A 9 -4.941 2.759 2.737 1.00 0.00 O ATOM 63 CB LEU A 9 -2.862 3.372 0.503 1.00 0.00 C ATOM 64 CG LEU A 9 -2.080 2.155 -0.016 1.00 0.00 C ATOM 65 CD1 LEU A 9 -1.859 1.138 1.092 1.00 0.00 C ATOM 66 CD2 LEU A 9 -2.789 1.512 -1.199 1.00 0.00 C ATOM 0 H LEU A 9 -4.362 5.278 1.051 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.691 2.848 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.560 4.244 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.561 3.556 1.534 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.106 2.507 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.303 0.287 0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.292 1.599 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.823 0.798 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.213 0.654 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.782 1.183 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.880 2.238 -2.007 1.00 0.00 H new ATOM 78 N SER A 10 -5.322 1.164 1.212 1.00 0.00 N ATOM 79 CA SER A 10 -5.829 0.222 2.192 1.00 0.00 C ATOM 80 C SER A 10 -5.230 -1.167 1.992 1.00 0.00 C ATOM 81 O SER A 10 -5.603 -1.900 1.072 1.00 0.00 O ATOM 82 CB SER A 10 -7.358 0.165 2.125 1.00 0.00 C ATOM 83 OG SER A 10 -7.816 0.140 0.783 1.00 0.00 O ATOM 0 H SER A 10 -5.316 0.819 0.252 1.00 0.00 H new ATOM 0 HA SER A 10 -5.531 0.569 3.181 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.714 -0.722 2.649 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.779 1.029 2.639 1.00 0.00 H new ATOM 0 HG SER A 10 -7.051 0.047 0.178 1.00 0.00 H new ATOM 89 N ARG A 11 -4.279 -1.516 2.842 1.00 0.00 N ATOM 90 CA ARG A 11 -3.648 -2.822 2.784 1.00 0.00 C ATOM 91 C ARG A 11 -4.603 -3.856 3.358 1.00 0.00 C ATOM 92 O ARG A 11 -5.176 -3.650 4.427 1.00 0.00 O ATOM 93 CB ARG A 11 -2.333 -2.827 3.567 1.00 0.00 C ATOM 94 CG ARG A 11 -1.212 -2.057 2.887 1.00 0.00 C ATOM 95 CD ARG A 11 -0.191 -2.993 2.255 1.00 0.00 C ATOM 96 NE ARG A 11 0.609 -3.688 3.263 1.00 0.00 N ATOM 97 CZ ARG A 11 1.326 -4.788 3.025 1.00 0.00 C ATOM 98 NH1 ARG A 11 1.371 -5.309 1.802 1.00 0.00 N ATOM 99 NH2 ARG A 11 2.017 -5.351 4.009 1.00 0.00 N ATOM 0 H ARG A 11 -3.926 -0.910 3.583 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.420 -3.064 1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.507 -2.400 4.555 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.014 -3.858 3.717 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.631 -1.404 2.121 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.716 -1.416 3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.706 -3.725 1.632 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.467 -2.423 1.599 1.00 0.00 H new ATOM 0 HE ARG A 11 0.620 -3.307 4.209 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.856 -4.868 1.040 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.921 -6.150 1.626 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.999 -4.943 4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.566 -6.192 3.830 1.00 0.00 H new ATOM 113 N HIS A 12 -4.799 -4.944 2.640 1.00 0.00 N ATOM 114 CA HIS A 12 -5.703 -5.990 3.085 1.00 0.00 C ATOM 115 C HIS A 12 -4.973 -7.313 3.227 1.00 0.00 C ATOM 116 O HIS A 12 -4.033 -7.593 2.486 1.00 0.00 O ATOM 117 CB HIS A 12 -6.865 -6.142 2.100 1.00 0.00 C ATOM 118 CG HIS A 12 -7.880 -5.044 2.181 1.00 0.00 C ATOM 119 ND1 HIS A 12 -7.708 -3.806 1.600 1.00 0.00 N ATOM 120 CD2 HIS A 12 -9.102 -5.016 2.755 1.00 0.00 C ATOM 121 CE1 HIS A 12 -8.781 -3.070 1.813 1.00 0.00 C ATOM 122 NE2 HIS A 12 -9.646 -3.781 2.512 1.00 0.00 N ATOM 0 H HIS A 12 -4.345 -5.128 1.745 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.095 -5.704 4.061 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -6.466 -6.180 1.086 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.361 -7.095 2.283 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -6.880 -3.506 1.086 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.567 -5.821 3.306 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -8.928 -2.056 1.473 1.00 0.00 H new ATOM 131 N SER A 13 -5.394 -8.109 4.192 1.00 0.00 N ATOM 132 CA SER A 13 -4.794 -9.413 4.422 1.00 0.00 C ATOM 133 C SER A 13 -5.537 -10.485 3.623 1.00 0.00 C ATOM 134 O SER A 13 -6.435 -10.167 2.839 1.00 0.00 O ATOM 135 CB SER A 13 -4.815 -9.733 5.917 1.00 0.00 C ATOM 136 OG SER A 13 -4.045 -8.788 6.643 1.00 0.00 O ATOM 0 H SER A 13 -6.153 -7.875 4.833 1.00 0.00 H new ATOM 0 HA SER A 13 -3.758 -9.398 4.084 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.843 -9.728 6.281 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.422 -10.736 6.085 1.00 0.00 H new ATOM 0 HG SER A 13 -4.072 -9.008 7.598 1.00 0.00 H new ATOM 142 N MET A 14 -5.171 -11.749 3.829 1.00 0.00 N ATOM 143 CA MET A 14 -5.797 -12.868 3.118 1.00 0.00 C ATOM 144 C MET A 14 -7.309 -12.891 3.324 1.00 0.00 C ATOM 145 O MET A 14 -8.069 -13.154 2.392 1.00 0.00 O ATOM 146 CB MET A 14 -5.201 -14.199 3.580 1.00 0.00 C ATOM 147 CG MET A 14 -3.861 -14.524 2.949 1.00 0.00 C ATOM 148 SD MET A 14 -3.213 -16.113 3.494 1.00 0.00 S ATOM 149 CE MET A 14 -1.780 -16.264 2.437 1.00 0.00 C ATOM 0 H MET A 14 -4.441 -12.027 4.485 1.00 0.00 H new ATOM 0 HA MET A 14 -5.596 -12.728 2.056 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.086 -14.178 4.664 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.904 -15.000 3.350 1.00 0.00 H new ATOM 0 HG2 MET A 14 -3.965 -14.530 1.864 1.00 0.00 H new ATOM 0 HG3 MET A 14 -3.146 -13.739 3.196 1.00 0.00 H new ATOM 0 HE1 MET A 14 -1.266 -17.201 2.652 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.095 -16.254 1.394 1.00 0.00 H new ATOM 0 HE3 MET A 14 -1.103 -15.429 2.620 1.00 0.00 H new ATOM 159 N ASP A 15 -7.738 -12.594 4.545 1.00 0.00 N ATOM 160 CA ASP A 15 -9.159 -12.583 4.888 1.00 0.00 C ATOM 161 C ASP A 15 -9.803 -11.247 4.526 1.00 0.00 C ATOM 162 O ASP A 15 -10.940 -10.966 4.912 1.00 0.00 O ATOM 163 CB ASP A 15 -9.349 -12.870 6.379 1.00 0.00 C ATOM 164 CG ASP A 15 -8.885 -11.730 7.263 1.00 0.00 C ATOM 165 OD1 ASP A 15 -7.759 -11.232 7.061 1.00 0.00 O ATOM 166 OD2 ASP A 15 -9.637 -11.336 8.176 1.00 0.00 O ATOM 0 H ASP A 15 -7.119 -12.356 5.320 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.649 -13.366 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.403 -13.069 6.574 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.800 -13.774 6.643 1.00 0.00 H new ATOM 171 N MET A 16 -9.054 -10.436 3.784 1.00 0.00 N ATOM 172 CA MET A 16 -9.503 -9.125 3.318 1.00 0.00 C ATOM 173 C MET A 16 -9.694 -8.134 4.465 1.00 0.00 C ATOM 174 O MET A 16 -10.443 -7.169 4.334 1.00 0.00 O ATOM 175 CB MET A 16 -10.790 -9.239 2.494 1.00 0.00 C ATOM 176 CG MET A 16 -10.807 -8.326 1.278 1.00 0.00 C ATOM 177 SD MET A 16 -12.292 -8.522 0.275 1.00 0.00 S ATOM 178 CE MET A 16 -11.819 -7.631 -1.206 1.00 0.00 C ATOM 0 H MET A 16 -8.108 -10.672 3.485 1.00 0.00 H new ATOM 0 HA MET A 16 -8.711 -8.737 2.678 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.914 -10.271 2.167 1.00 0.00 H new ATOM 0 HB3 MET A 16 -11.643 -9.002 3.130 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.731 -7.290 1.607 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.930 -8.531 0.664 1.00 0.00 H new ATOM 0 HE1 MET A 16 -12.637 -7.662 -1.926 1.00 0.00 H new ATOM 0 HE2 MET A 16 -11.598 -6.594 -0.952 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.934 -8.094 -1.642 1.00 0.00 H new ATOM 188 N LYS A 17 -9.015 -8.364 5.583 1.00 0.00 N ATOM 189 CA LYS A 17 -9.104 -7.448 6.713 1.00 0.00 C ATOM 190 C LYS A 17 -8.181 -6.260 6.458 1.00 0.00 C ATOM 191 O LYS A 17 -7.356 -6.303 5.544 1.00 0.00 O ATOM 192 CB LYS A 17 -8.724 -8.140 8.032 1.00 0.00 C ATOM 193 CG LYS A 17 -7.223 -8.271 8.248 1.00 0.00 C ATOM 194 CD LYS A 17 -6.880 -8.486 9.715 1.00 0.00 C ATOM 195 CE LYS A 17 -6.534 -9.938 10.011 1.00 0.00 C ATOM 196 NZ LYS A 17 -7.736 -10.808 10.024 1.00 0.00 N ATOM 0 H LYS A 17 -8.404 -9.167 5.730 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.136 -7.109 6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.153 -7.579 8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.172 -9.133 8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.843 -9.106 7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.724 -7.372 7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.038 -7.850 9.988 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.724 -8.181 10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.832 -10.303 9.262 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.031 -10.001 10.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.453 -11.794 9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.206 -10.736 10.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.393 -10.504 9.277 1.00 0.00 H new ATOM 210 N PHE A 18 -8.319 -5.205 7.243 1.00 0.00 N ATOM 211 CA PHE A 18 -7.477 -4.031 7.071 1.00 0.00 C ATOM 212 C PHE A 18 -6.170 -4.195 7.838 1.00 0.00 C ATOM 213 O PHE A 18 -6.164 -4.285 9.069 1.00 0.00 O ATOM 214 CB PHE A 18 -8.208 -2.767 7.524 1.00 0.00 C ATOM 215 CG PHE A 18 -9.204 -2.255 6.522 1.00 0.00 C ATOM 216 CD1 PHE A 18 -8.811 -1.385 5.517 1.00 0.00 C ATOM 217 CD2 PHE A 18 -10.533 -2.641 6.585 1.00 0.00 C ATOM 218 CE1 PHE A 18 -9.725 -0.912 4.594 1.00 0.00 C ATOM 219 CE2 PHE A 18 -11.451 -2.171 5.664 1.00 0.00 C ATOM 220 CZ PHE A 18 -11.048 -1.305 4.668 1.00 0.00 C ATOM 0 H PHE A 18 -9.000 -5.136 8.000 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.247 -3.930 6.010 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.723 -2.972 8.463 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -7.475 -1.986 7.726 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.779 -1.073 5.454 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -10.856 -3.317 7.363 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.405 -0.235 3.815 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.484 -2.482 5.724 1.00 0.00 H new ATOM 0 HZ PHE A 18 -11.764 -0.936 3.949 1.00 0.00 H new ATOM 230 N THR A 19 -5.074 -4.258 7.099 1.00 0.00 N ATOM 231 CA THR A 19 -3.752 -4.407 7.684 1.00 0.00 C ATOM 232 C THR A 19 -3.123 -3.043 7.962 1.00 0.00 C ATOM 233 O THR A 19 -2.499 -2.836 9.004 1.00 0.00 O ATOM 234 CB THR A 19 -2.831 -5.205 6.746 1.00 0.00 C ATOM 235 OG1 THR A 19 -3.617 -6.052 5.897 1.00 0.00 O ATOM 236 CG2 THR A 19 -1.841 -6.043 7.539 1.00 0.00 C ATOM 0 H THR A 19 -5.076 -4.207 6.080 1.00 0.00 H new ATOM 0 HA THR A 19 -3.866 -4.946 8.624 1.00 0.00 H new ATOM 0 HB THR A 19 -2.269 -4.499 6.135 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.681 -6.945 6.295 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.202 -6.598 6.852 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.227 -5.390 8.160 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.384 -6.743 8.175 1.00 0.00 H new ATOM 244 N TYR A 20 -3.297 -2.116 7.025 1.00 0.00 N ATOM 245 CA TYR A 20 -2.755 -0.767 7.157 1.00 0.00 C ATOM 246 C TYR A 20 -3.464 0.174 6.189 1.00 0.00 C ATOM 247 O TYR A 20 -3.502 -0.078 4.986 1.00 0.00 O ATOM 248 CB TYR A 20 -1.244 -0.760 6.888 1.00 0.00 C ATOM 249 CG TYR A 20 -0.562 0.542 7.250 1.00 0.00 C ATOM 250 CD1 TYR A 20 -0.223 0.830 8.566 1.00 0.00 C ATOM 251 CD2 TYR A 20 -0.255 1.482 6.273 1.00 0.00 C ATOM 252 CE1 TYR A 20 0.401 2.019 8.898 1.00 0.00 C ATOM 253 CE2 TYR A 20 0.368 2.671 6.597 1.00 0.00 C ATOM 254 CZ TYR A 20 0.695 2.935 7.909 1.00 0.00 C ATOM 255 OH TYR A 20 1.314 4.122 8.233 1.00 0.00 O ATOM 0 H TYR A 20 -3.813 -2.276 6.160 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.923 -0.424 8.178 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.781 -1.570 7.451 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.072 -0.967 5.832 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.450 0.114 9.342 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.508 1.279 5.243 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.657 2.229 9.926 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.598 3.391 5.825 1.00 0.00 H new ATOM 0 HH TYR A 20 2.199 4.154 7.814 1.00 0.00 H new ATOM 265 N CYS A 21 -4.029 1.250 6.713 1.00 0.00 N ATOM 266 CA CYS A 21 -4.741 2.214 5.886 1.00 0.00 C ATOM 267 C CYS A 21 -4.066 3.580 5.940 1.00 0.00 C ATOM 268 O CYS A 21 -3.385 3.905 6.914 1.00 0.00 O ATOM 269 CB CYS A 21 -6.192 2.339 6.355 1.00 0.00 C ATOM 270 SG CYS A 21 -6.793 0.916 7.295 1.00 0.00 S ATOM 0 H CYS A 21 -4.009 1.479 7.707 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.722 1.857 4.856 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.287 3.233 6.971 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.832 2.482 5.485 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.703 1.167 8.567 1.00 0.00 H new ATOM 276 N ASP A 22 -4.252 4.367 4.885 1.00 0.00 N ATOM 277 CA ASP A 22 -3.682 5.710 4.814 1.00 0.00 C ATOM 278 C ASP A 22 -4.471 6.649 5.723 1.00 0.00 C ATOM 279 O ASP A 22 -5.612 6.359 6.080 1.00 0.00 O ATOM 280 CB ASP A 22 -3.701 6.229 3.371 1.00 0.00 C ATOM 281 CG ASP A 22 -2.690 7.339 3.130 1.00 0.00 C ATOM 282 OD1 ASP A 22 -2.827 8.421 3.740 1.00 0.00 O ATOM 283 OD2 ASP A 22 -1.762 7.138 2.322 1.00 0.00 O ATOM 0 H ASP A 22 -4.795 4.098 4.064 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.645 5.672 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.496 5.403 2.690 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.700 6.596 3.135 1.00 0.00 H new ATOM 288 N ASP A 23 -3.882 7.789 6.059 1.00 0.00 N ATOM 289 CA ASP A 23 -4.515 8.758 6.951 1.00 0.00 C ATOM 290 C ASP A 23 -5.596 9.568 6.238 1.00 0.00 C ATOM 291 O ASP A 23 -6.189 10.471 6.823 1.00 0.00 O ATOM 292 CB ASP A 23 -3.467 9.702 7.553 1.00 0.00 C ATOM 293 CG ASP A 23 -2.582 9.021 8.581 1.00 0.00 C ATOM 294 OD1 ASP A 23 -1.534 8.466 8.190 1.00 0.00 O ATOM 295 OD2 ASP A 23 -2.919 9.050 9.786 1.00 0.00 O ATOM 0 H ASP A 23 -2.960 8.069 5.725 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.993 8.194 7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.844 10.103 6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.972 10.548 8.019 1.00 0.00 H new ATOM 300 N ARG A 24 -5.855 9.248 4.976 1.00 0.00 N ATOM 301 CA ARG A 24 -6.877 9.958 4.210 1.00 0.00 C ATOM 302 C ARG A 24 -8.261 9.386 4.513 1.00 0.00 C ATOM 303 O ARG A 24 -9.282 10.014 4.230 1.00 0.00 O ATOM 304 CB ARG A 24 -6.609 9.859 2.701 1.00 0.00 C ATOM 305 CG ARG A 24 -5.140 9.915 2.306 1.00 0.00 C ATOM 306 CD ARG A 24 -4.485 11.227 2.706 1.00 0.00 C ATOM 307 NE ARG A 24 -3.614 11.753 1.652 1.00 0.00 N ATOM 308 CZ ARG A 24 -2.368 11.327 1.419 1.00 0.00 C ATOM 309 NH1 ARG A 24 -1.859 10.317 2.115 1.00 0.00 N ATOM 310 NH2 ARG A 24 -1.640 11.897 0.466 1.00 0.00 N ATOM 0 H ARG A 24 -5.377 8.508 4.463 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.841 11.007 4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.034 8.926 2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.136 10.670 2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.608 9.088 2.776 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.050 9.781 1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.257 11.961 2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.903 11.078 3.616 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.983 12.494 1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.419 9.860 2.834 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.908 9.999 1.930 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.031 12.659 -0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.690 11.573 0.288 1.00 0.00 H new ATOM 324 N ILE A 25 -8.286 8.204 5.122 1.00 0.00 N ATOM 325 CA ILE A 25 -9.537 7.524 5.443 1.00 0.00 C ATOM 326 C ILE A 25 -10.407 8.336 6.413 1.00 0.00 C ATOM 327 O ILE A 25 -11.633 8.195 6.419 1.00 0.00 O ATOM 328 CB ILE A 25 -9.264 6.118 6.029 1.00 0.00 C ATOM 329 CG1 ILE A 25 -10.574 5.362 6.267 1.00 0.00 C ATOM 330 CG2 ILE A 25 -8.460 6.220 7.316 1.00 0.00 C ATOM 331 CD1 ILE A 25 -10.382 3.979 6.848 1.00 0.00 C ATOM 0 H ILE A 25 -7.449 7.695 5.405 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.089 7.422 4.509 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.677 5.556 5.303 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.202 5.945 6.940 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.111 5.278 5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.279 5.221 7.712 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.507 6.708 7.112 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.017 6.805 8.048 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.354 3.505 6.989 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.781 3.378 6.166 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.873 4.055 7.809 1.00 0.00 H new ATOM 343 N THR A 26 -9.786 9.209 7.198 1.00 0.00 N ATOM 344 CA THR A 26 -10.515 10.017 8.167 1.00 0.00 C ATOM 345 C THR A 26 -11.441 11.026 7.489 1.00 0.00 C ATOM 346 O THR A 26 -12.444 11.441 8.066 1.00 0.00 O ATOM 347 CB THR A 26 -9.549 10.774 9.096 1.00 0.00 C ATOM 348 OG1 THR A 26 -8.468 11.327 8.333 1.00 0.00 O ATOM 349 CG2 THR A 26 -8.997 9.856 10.175 1.00 0.00 C ATOM 0 H THR A 26 -8.780 9.375 7.182 1.00 0.00 H new ATOM 0 HA THR A 26 -11.120 9.324 8.752 1.00 0.00 H new ATOM 0 HB THR A 26 -10.104 11.579 9.579 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.777 12.128 7.860 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.318 10.417 10.817 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.819 9.462 10.773 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.458 9.030 9.710 1.00 0.00 H new ATOM 357 N GLU A 27 -11.111 11.406 6.262 1.00 0.00 N ATOM 358 CA GLU A 27 -11.912 12.378 5.529 1.00 0.00 C ATOM 359 C GLU A 27 -12.938 11.683 4.642 1.00 0.00 C ATOM 360 O GLU A 27 -13.978 12.254 4.310 1.00 0.00 O ATOM 361 CB GLU A 27 -11.013 13.267 4.668 1.00 0.00 C ATOM 362 CG GLU A 27 -9.684 13.621 5.319 1.00 0.00 C ATOM 363 CD GLU A 27 -9.839 14.263 6.684 1.00 0.00 C ATOM 364 OE1 GLU A 27 -10.610 15.237 6.807 1.00 0.00 O ATOM 365 OE2 GLU A 27 -9.179 13.802 7.638 1.00 0.00 O ATOM 0 H GLU A 27 -10.298 11.058 5.755 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.439 12.993 6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.819 12.762 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.547 14.188 4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.082 12.717 5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.136 14.300 4.666 1.00 0.00 H new ATOM 372 N LEU A 28 -12.643 10.449 4.266 1.00 0.00 N ATOM 373 CA LEU A 28 -13.528 9.688 3.396 1.00 0.00 C ATOM 374 C LEU A 28 -14.523 8.858 4.203 1.00 0.00 C ATOM 375 O LEU A 28 -15.723 9.136 4.209 1.00 0.00 O ATOM 376 CB LEU A 28 -12.706 8.774 2.481 1.00 0.00 C ATOM 377 CG LEU A 28 -11.446 9.410 1.885 1.00 0.00 C ATOM 378 CD1 LEU A 28 -10.691 8.403 1.035 1.00 0.00 C ATOM 379 CD2 LEU A 28 -11.802 10.641 1.064 1.00 0.00 C ATOM 0 H LEU A 28 -11.798 9.952 4.549 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.093 10.396 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.414 7.889 3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.344 8.435 1.664 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.800 9.721 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.799 8.873 0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.400 7.552 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.332 8.060 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.893 11.077 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.470 10.356 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.298 11.373 1.702 1.00 0.00 H new ATOM 391 N ILE A 29 -14.013 7.846 4.891 1.00 0.00 N ATOM 392 CA ILE A 29 -14.852 6.963 5.691 1.00 0.00 C ATOM 393 C ILE A 29 -15.185 7.601 7.037 1.00 0.00 C ATOM 394 O ILE A 29 -16.274 7.410 7.575 1.00 0.00 O ATOM 395 CB ILE A 29 -14.161 5.599 5.926 1.00 0.00 C ATOM 396 CG1 ILE A 29 -13.706 4.992 4.593 1.00 0.00 C ATOM 397 CG2 ILE A 29 -15.092 4.642 6.657 1.00 0.00 C ATOM 398 CD1 ILE A 29 -14.835 4.744 3.614 1.00 0.00 C ATOM 0 H ILE A 29 -13.020 7.615 4.911 1.00 0.00 H new ATOM 0 HA ILE A 29 -15.775 6.800 5.135 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.282 5.764 6.550 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.978 5.659 4.131 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.195 4.049 4.790 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.586 3.689 6.812 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.367 5.068 7.622 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.991 4.483 6.061 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.433 4.314 2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.553 4.052 4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.332 5.687 3.386 1.00 0.00 H new ATOM 410 N GLY A 30 -14.243 8.362 7.570 1.00 0.00 N ATOM 411 CA GLY A 30 -14.449 9.014 8.848 1.00 0.00 C ATOM 412 C GLY A 30 -13.769 8.266 9.975 1.00 0.00 C ATOM 413 O GLY A 30 -13.694 8.754 11.103 1.00 0.00 O ATOM 0 H GLY A 30 -13.336 8.541 7.140 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.064 10.033 8.803 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.517 9.086 9.052 1.00 0.00 H new ATOM 417 N TYR A 31 -13.272 7.080 9.660 1.00 0.00 N ATOM 418 CA TYR A 31 -12.586 6.244 10.634 1.00 0.00 C ATOM 419 C TYR A 31 -11.090 6.515 10.602 1.00 0.00 C ATOM 420 O TYR A 31 -10.560 6.973 9.591 1.00 0.00 O ATOM 421 CB TYR A 31 -12.840 4.765 10.337 1.00 0.00 C ATOM 422 CG TYR A 31 -14.019 4.178 11.078 1.00 0.00 C ATOM 423 CD1 TYR A 31 -13.887 3.733 12.387 1.00 0.00 C ATOM 424 CD2 TYR A 31 -15.259 4.055 10.466 1.00 0.00 C ATOM 425 CE1 TYR A 31 -14.957 3.184 13.066 1.00 0.00 C ATOM 426 CE2 TYR A 31 -16.336 3.509 11.139 1.00 0.00 C ATOM 427 CZ TYR A 31 -16.179 3.075 12.438 1.00 0.00 C ATOM 428 OH TYR A 31 -17.247 2.528 13.111 1.00 0.00 O ATOM 0 H TYR A 31 -13.332 6.671 8.727 1.00 0.00 H new ATOM 0 HA TYR A 31 -12.974 6.484 11.624 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.001 4.644 9.266 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -11.946 4.196 10.591 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -12.931 3.818 12.882 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.384 4.391 9.447 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -14.837 2.842 14.083 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.295 3.423 10.650 1.00 0.00 H new ATOM 0 HH TYR A 31 -18.034 2.525 12.528 1.00 0.00 H new ATOM 438 N HIS A 32 -10.421 6.250 11.709 1.00 0.00 N ATOM 439 CA HIS A 32 -8.985 6.446 11.792 1.00 0.00 C ATOM 440 C HIS A 32 -8.259 5.299 11.097 1.00 0.00 C ATOM 441 O HIS A 32 -8.714 4.156 11.136 1.00 0.00 O ATOM 442 CB HIS A 32 -8.537 6.551 13.252 1.00 0.00 C ATOM 443 CG HIS A 32 -8.199 7.949 13.675 1.00 0.00 C ATOM 444 ND1 HIS A 32 -6.944 8.502 13.523 1.00 0.00 N ATOM 445 CD2 HIS A 32 -8.963 8.912 14.243 1.00 0.00 C ATOM 446 CE1 HIS A 32 -6.954 9.743 13.976 1.00 0.00 C ATOM 447 NE2 HIS A 32 -8.166 10.014 14.416 1.00 0.00 N ATOM 0 H HIS A 32 -10.850 5.898 12.565 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.733 7.380 11.289 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.329 6.167 13.895 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.666 5.914 13.403 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.006 8.828 14.510 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.112 10.420 13.984 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -8.464 10.902 14.821 1.00 0.00 H new ATOM 456 N PRO A 33 -7.120 5.594 10.451 1.00 0.00 N ATOM 457 CA PRO A 33 -6.326 4.593 9.728 1.00 0.00 C ATOM 458 C PRO A 33 -6.031 3.347 10.556 1.00 0.00 C ATOM 459 O PRO A 33 -6.289 2.223 10.121 1.00 0.00 O ATOM 460 CB PRO A 33 -5.023 5.330 9.421 1.00 0.00 C ATOM 461 CG PRO A 33 -5.393 6.769 9.393 1.00 0.00 C ATOM 462 CD PRO A 33 -6.520 6.936 10.370 1.00 0.00 C ATOM 0 HA PRO A 33 -6.858 4.228 8.849 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.268 5.131 10.182 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.605 5.011 8.466 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.544 7.394 9.669 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.699 7.072 8.392 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.159 7.272 11.342 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.242 7.676 10.025 1.00 0.00 H new ATOM 470 N GLU A 34 -5.526 3.553 11.766 1.00 0.00 N ATOM 471 CA GLU A 34 -5.169 2.446 12.642 1.00 0.00 C ATOM 472 C GLU A 34 -6.369 1.942 13.443 1.00 0.00 C ATOM 473 O GLU A 34 -6.243 1.020 14.247 1.00 0.00 O ATOM 474 CB GLU A 34 -4.035 2.865 13.581 1.00 0.00 C ATOM 475 CG GLU A 34 -2.857 3.491 12.852 1.00 0.00 C ATOM 476 CD GLU A 34 -1.527 2.875 13.237 1.00 0.00 C ATOM 477 OE1 GLU A 34 -1.202 2.849 14.445 1.00 0.00 O ATOM 478 OE2 GLU A 34 -0.793 2.429 12.332 1.00 0.00 O ATOM 0 H GLU A 34 -5.355 4.477 12.162 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.830 1.622 12.015 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.421 3.575 14.312 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.689 1.992 14.135 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.003 3.384 11.777 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.831 4.560 13.065 1.00 0.00 H new ATOM 485 N GLU A 35 -7.534 2.533 13.212 1.00 0.00 N ATOM 486 CA GLU A 35 -8.750 2.124 13.914 1.00 0.00 C ATOM 487 C GLU A 35 -9.392 0.939 13.205 1.00 0.00 C ATOM 488 O GLU A 35 -10.298 0.295 13.731 1.00 0.00 O ATOM 489 CB GLU A 35 -9.747 3.283 13.985 1.00 0.00 C ATOM 490 CG GLU A 35 -10.106 3.705 15.399 1.00 0.00 C ATOM 491 CD GLU A 35 -10.913 2.658 16.137 1.00 0.00 C ATOM 492 OE1 GLU A 35 -10.320 1.660 16.599 1.00 0.00 O ATOM 493 OE2 GLU A 35 -12.144 2.830 16.268 1.00 0.00 O ATOM 0 H GLU A 35 -7.666 3.295 12.547 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.478 1.832 14.928 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.330 4.140 13.456 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.658 2.997 13.460 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.191 3.911 15.955 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.673 4.635 15.363 1.00 0.00 H new ATOM 500 N LEU A 36 -8.915 0.663 12.001 1.00 0.00 N ATOM 501 CA LEU A 36 -9.436 -0.437 11.203 1.00 0.00 C ATOM 502 C LEU A 36 -8.444 -1.592 11.145 1.00 0.00 C ATOM 503 O LEU A 36 -8.752 -2.658 10.617 1.00 0.00 O ATOM 504 CB LEU A 36 -9.738 0.050 9.783 1.00 0.00 C ATOM 505 CG LEU A 36 -11.219 0.219 9.439 1.00 0.00 C ATOM 506 CD1 LEU A 36 -11.904 1.154 10.425 1.00 0.00 C ATOM 507 CD2 LEU A 36 -11.366 0.745 8.020 1.00 0.00 C ATOM 0 H LEU A 36 -8.164 1.188 11.553 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.352 -0.793 11.674 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.238 1.007 9.633 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.298 -0.654 9.076 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.702 -0.756 9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.956 1.257 10.158 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.824 0.744 11.432 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.424 2.132 10.393 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.423 0.862 7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.866 1.710 7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.914 0.040 7.322 1.00 0.00 H new ATOM 519 N LEU A 37 -7.266 -1.386 11.713 1.00 0.00 N ATOM 520 CA LEU A 37 -6.221 -2.401 11.685 1.00 0.00 C ATOM 521 C LEU A 37 -6.548 -3.575 12.597 1.00 0.00 C ATOM 522 O LEU A 37 -6.688 -3.413 13.810 1.00 0.00 O ATOM 523 CB LEU A 37 -4.870 -1.801 12.090 1.00 0.00 C ATOM 524 CG LEU A 37 -4.458 -0.527 11.346 1.00 0.00 C ATOM 525 CD1 LEU A 37 -2.978 -0.248 11.557 1.00 0.00 C ATOM 526 CD2 LEU A 37 -4.775 -0.636 9.864 1.00 0.00 C ATOM 0 H LEU A 37 -7.008 -0.527 12.199 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.162 -2.769 10.661 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.895 -1.584 13.158 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.098 -2.555 11.936 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.032 0.306 11.752 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.699 0.660 11.023 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.780 -0.118 12.621 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.392 -1.086 11.179 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.473 0.281 9.359 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.234 -1.480 9.437 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.846 -0.787 9.731 1.00 0.00 H new ATOM 538 N GLY A 38 -6.688 -4.749 11.998 1.00 0.00 N ATOM 539 CA GLY A 38 -6.966 -5.948 12.763 1.00 0.00 C ATOM 540 C GLY A 38 -8.437 -6.293 12.834 1.00 0.00 C ATOM 541 O GLY A 38 -8.795 -7.454 13.034 1.00 0.00 O ATOM 0 H GLY A 38 -6.614 -4.893 10.991 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.426 -6.785 12.320 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.582 -5.821 13.775 1.00 0.00 H new ATOM 545 N ARG A 39 -9.298 -5.302 12.665 1.00 0.00 N ATOM 546 CA ARG A 39 -10.731 -5.544 12.732 1.00 0.00 C ATOM 547 C ARG A 39 -11.236 -6.189 11.447 1.00 0.00 C ATOM 548 O ARG A 39 -10.563 -6.161 10.412 1.00 0.00 O ATOM 549 CB ARG A 39 -11.497 -4.249 13.017 1.00 0.00 C ATOM 550 CG ARG A 39 -11.664 -3.341 11.807 1.00 0.00 C ATOM 551 CD ARG A 39 -12.736 -2.288 12.041 1.00 0.00 C ATOM 552 NE ARG A 39 -12.417 -1.421 13.177 1.00 0.00 N ATOM 553 CZ ARG A 39 -13.202 -1.265 14.243 1.00 0.00 C ATOM 554 NH1 ARG A 39 -14.332 -1.953 14.349 1.00 0.00 N ATOM 555 NH2 ARG A 39 -12.846 -0.428 15.211 1.00 0.00 N ATOM 0 H ARG A 39 -9.035 -4.334 12.483 1.00 0.00 H new ATOM 0 HA ARG A 39 -10.911 -6.234 13.556 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -12.483 -4.502 13.406 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.977 -3.698 13.801 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.715 -2.852 11.585 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.926 -3.940 10.935 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.850 -1.681 11.143 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.693 -2.779 12.217 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.538 -0.904 13.151 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.603 -2.605 13.613 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.929 -1.830 15.167 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.973 0.094 15.138 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.446 -0.308 16.027 1.00 0.00 H new ATOM 569 N SER A 40 -12.420 -6.775 11.521 1.00 0.00 N ATOM 570 CA SER A 40 -13.023 -7.425 10.374 1.00 0.00 C ATOM 571 C SER A 40 -13.624 -6.380 9.440 1.00 0.00 C ATOM 572 O SER A 40 -14.515 -5.630 9.826 1.00 0.00 O ATOM 573 CB SER A 40 -14.094 -8.416 10.839 1.00 0.00 C ATOM 574 OG SER A 40 -13.544 -9.381 11.725 1.00 0.00 O ATOM 0 H SER A 40 -12.984 -6.813 12.370 1.00 0.00 H new ATOM 0 HA SER A 40 -12.257 -7.975 9.828 1.00 0.00 H new ATOM 0 HB2 SER A 40 -14.901 -7.878 11.337 1.00 0.00 H new ATOM 0 HB3 SER A 40 -14.531 -8.917 9.975 1.00 0.00 H new ATOM 0 HG SER A 40 -14.247 -10.002 12.010 1.00 0.00 H new ATOM 580 N ALA A 41 -13.125 -6.331 8.216 1.00 0.00 N ATOM 581 CA ALA A 41 -13.605 -5.375 7.230 1.00 0.00 C ATOM 582 C ALA A 41 -15.038 -5.687 6.827 1.00 0.00 C ATOM 583 O ALA A 41 -15.812 -4.792 6.488 1.00 0.00 O ATOM 584 CB ALA A 41 -12.698 -5.385 6.010 1.00 0.00 C ATOM 0 H ALA A 41 -12.384 -6.945 7.879 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.587 -4.381 7.676 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.065 -4.666 5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.685 -5.114 6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.692 -6.382 5.569 1.00 0.00 H new ATOM 590 N TYR A 42 -15.391 -6.963 6.899 1.00 0.00 N ATOM 591 CA TYR A 42 -16.726 -7.417 6.534 1.00 0.00 C ATOM 592 C TYR A 42 -17.784 -6.985 7.554 1.00 0.00 C ATOM 593 O TYR A 42 -18.975 -7.211 7.340 1.00 0.00 O ATOM 594 CB TYR A 42 -16.745 -8.939 6.372 1.00 0.00 C ATOM 595 CG TYR A 42 -16.266 -9.415 5.016 1.00 0.00 C ATOM 596 CD1 TYR A 42 -14.910 -9.540 4.737 1.00 0.00 C ATOM 597 CD2 TYR A 42 -17.173 -9.746 4.015 1.00 0.00 C ATOM 598 CE1 TYR A 42 -14.472 -9.978 3.501 1.00 0.00 C ATOM 599 CE2 TYR A 42 -16.742 -10.187 2.778 1.00 0.00 C ATOM 600 CZ TYR A 42 -15.391 -10.301 2.527 1.00 0.00 C ATOM 601 OH TYR A 42 -14.956 -10.745 1.298 1.00 0.00 O ATOM 0 H TYR A 42 -14.766 -7.707 7.209 1.00 0.00 H new ATOM 0 HA TYR A 42 -16.976 -6.947 5.583 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -16.120 -9.385 7.145 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -17.760 -9.300 6.536 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -14.186 -9.291 5.499 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -18.232 -9.657 4.207 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -13.415 -10.066 3.300 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -17.460 -10.441 2.012 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.144 -11.282 1.413 1.00 0.00 H new ATOM 611 N GLU A 43 -17.359 -6.352 8.649 1.00 0.00 N ATOM 612 CA GLU A 43 -18.302 -5.901 9.672 1.00 0.00 C ATOM 613 C GLU A 43 -19.024 -4.635 9.211 1.00 0.00 C ATOM 614 O GLU A 43 -20.047 -4.241 9.778 1.00 0.00 O ATOM 615 CB GLU A 43 -17.593 -5.654 11.014 1.00 0.00 C ATOM 616 CG GLU A 43 -16.904 -4.301 11.122 1.00 0.00 C ATOM 617 CD GLU A 43 -16.483 -3.977 12.540 1.00 0.00 C ATOM 618 OE1 GLU A 43 -17.369 -3.710 13.377 1.00 0.00 O ATOM 619 OE2 GLU A 43 -15.268 -3.989 12.826 1.00 0.00 O ATOM 0 H GLU A 43 -16.381 -6.142 8.848 1.00 0.00 H new ATOM 0 HA GLU A 43 -19.038 -6.691 9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -18.323 -5.741 11.818 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -16.852 -6.439 11.170 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -16.027 -4.291 10.475 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -17.577 -3.524 10.760 1.00 0.00 H new ATOM 626 N PHE A 44 -18.480 -4.003 8.180 1.00 0.00 N ATOM 627 CA PHE A 44 -19.062 -2.790 7.626 1.00 0.00 C ATOM 628 C PHE A 44 -18.862 -2.758 6.114 1.00 0.00 C ATOM 629 O PHE A 44 -18.947 -1.706 5.480 1.00 0.00 O ATOM 630 CB PHE A 44 -18.451 -1.541 8.285 1.00 0.00 C ATOM 631 CG PHE A 44 -16.988 -1.328 7.992 1.00 0.00 C ATOM 632 CD1 PHE A 44 -16.019 -2.108 8.603 1.00 0.00 C ATOM 633 CD2 PHE A 44 -16.583 -0.339 7.107 1.00 0.00 C ATOM 634 CE1 PHE A 44 -14.679 -1.908 8.339 1.00 0.00 C ATOM 635 CE2 PHE A 44 -15.244 -0.135 6.838 1.00 0.00 C ATOM 636 CZ PHE A 44 -14.292 -0.922 7.454 1.00 0.00 C ATOM 0 H PHE A 44 -17.631 -4.314 7.708 1.00 0.00 H new ATOM 0 HA PHE A 44 -20.132 -2.789 7.836 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -19.006 -0.663 7.953 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -18.585 -1.614 9.364 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.316 -2.882 9.295 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.324 0.279 6.622 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -13.935 -2.522 8.824 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.942 0.639 6.147 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.244 -0.766 7.244 1.00 0.00 H new ATOM 646 N TYR A 45 -18.628 -3.930 5.535 1.00 0.00 N ATOM 647 CA TYR A 45 -18.404 -4.048 4.099 1.00 0.00 C ATOM 648 C TYR A 45 -19.719 -4.001 3.327 1.00 0.00 C ATOM 649 O TYR A 45 -20.030 -4.917 2.564 1.00 0.00 O ATOM 650 CB TYR A 45 -17.651 -5.342 3.776 1.00 0.00 C ATOM 651 CG TYR A 45 -16.232 -5.122 3.294 1.00 0.00 C ATOM 652 CD1 TYR A 45 -15.766 -3.848 2.985 1.00 0.00 C ATOM 653 CD2 TYR A 45 -15.357 -6.191 3.147 1.00 0.00 C ATOM 654 CE1 TYR A 45 -14.471 -3.648 2.545 1.00 0.00 C ATOM 655 CE2 TYR A 45 -14.061 -5.999 2.706 1.00 0.00 C ATOM 656 CZ TYR A 45 -13.622 -4.726 2.407 1.00 0.00 C ATOM 657 OH TYR A 45 -12.332 -4.532 1.966 1.00 0.00 O ATOM 0 H TYR A 45 -18.588 -4.815 6.040 1.00 0.00 H new ATOM 0 HA TYR A 45 -17.797 -3.198 3.788 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -17.629 -5.970 4.667 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -18.203 -5.891 3.013 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -16.427 -3.001 3.091 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -15.695 -7.190 3.381 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.126 -2.652 2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -13.395 -6.842 2.596 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.774 -4.225 2.711 1.00 0.00 H new ATOM 667 N HIS A 46 -20.462 -2.905 3.517 1.00 0.00 N ATOM 668 CA HIS A 46 -21.755 -2.670 2.857 1.00 0.00 C ATOM 669 C HIS A 46 -22.801 -3.662 3.348 1.00 0.00 C ATOM 670 O HIS A 46 -22.635 -4.871 3.218 1.00 0.00 O ATOM 671 CB HIS A 46 -21.670 -2.755 1.319 1.00 0.00 C ATOM 672 CG HIS A 46 -20.333 -2.417 0.728 1.00 0.00 C ATOM 673 ND1 HIS A 46 -19.744 -3.170 -0.265 1.00 0.00 N ATOM 674 CD2 HIS A 46 -19.467 -1.413 0.996 1.00 0.00 C ATOM 675 CE1 HIS A 46 -18.577 -2.644 -0.580 1.00 0.00 C ATOM 676 NE2 HIS A 46 -18.385 -1.578 0.171 1.00 0.00 N ATOM 0 H HIS A 46 -20.181 -2.147 4.139 1.00 0.00 H new ATOM 0 HA HIS A 46 -22.045 -1.653 3.122 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.938 -3.766 1.013 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -22.416 -2.084 0.893 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -20.148 -4.004 -0.690 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -19.603 -0.627 1.725 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.894 -3.022 -1.327 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -17.564 -0.974 0.143 1.00 0.00 H new ATOM 685 N ALA A 47 -23.890 -3.147 3.895 1.00 0.00 N ATOM 686 CA ALA A 47 -24.954 -4.003 4.400 1.00 0.00 C ATOM 687 C ALA A 47 -25.682 -4.706 3.259 1.00 0.00 C ATOM 688 O ALA A 47 -26.151 -5.833 3.409 1.00 0.00 O ATOM 689 CB ALA A 47 -25.930 -3.193 5.234 1.00 0.00 C ATOM 0 H ALA A 47 -24.061 -2.147 4.001 1.00 0.00 H new ATOM 0 HA ALA A 47 -24.503 -4.768 5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -26.720 -3.846 5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -25.404 -2.745 6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -26.368 -2.406 4.620 1.00 0.00 H new ATOM 695 N LEU A 48 -25.765 -4.036 2.120 1.00 0.00 N ATOM 696 CA LEU A 48 -26.437 -4.591 0.954 1.00 0.00 C ATOM 697 C LEU A 48 -25.435 -5.218 -0.013 1.00 0.00 C ATOM 698 O LEU A 48 -25.640 -6.330 -0.505 1.00 0.00 O ATOM 699 CB LEU A 48 -27.257 -3.508 0.236 1.00 0.00 C ATOM 700 CG LEU A 48 -26.459 -2.324 -0.325 1.00 0.00 C ATOM 701 CD1 LEU A 48 -27.173 -1.725 -1.521 1.00 0.00 C ATOM 702 CD2 LEU A 48 -26.241 -1.259 0.739 1.00 0.00 C ATOM 0 H LEU A 48 -25.374 -3.105 1.978 1.00 0.00 H new ATOM 0 HA LEU A 48 -27.113 -5.373 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -27.801 -3.976 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -28.001 -3.122 0.932 1.00 0.00 H new ATOM 0 HG LEU A 48 -25.485 -2.696 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -26.594 -0.886 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -27.279 -2.482 -2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -28.160 -1.376 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -25.673 -0.431 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -27.206 -0.894 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -25.688 -1.688 1.575 1.00 0.00 H new ATOM 714 N ASP A 49 -24.341 -4.513 -0.269 1.00 0.00 N ATOM 715 CA ASP A 49 -23.319 -4.999 -1.189 1.00 0.00 C ATOM 716 C ASP A 49 -22.302 -5.878 -0.470 1.00 0.00 C ATOM 717 O ASP A 49 -21.089 -5.686 -0.610 1.00 0.00 O ATOM 718 CB ASP A 49 -22.597 -3.830 -1.866 1.00 0.00 C ATOM 719 CG ASP A 49 -23.537 -2.874 -2.571 1.00 0.00 C ATOM 720 OD1 ASP A 49 -24.156 -3.268 -3.580 1.00 0.00 O ATOM 721 OD2 ASP A 49 -23.649 -1.717 -2.126 1.00 0.00 O ATOM 0 H ASP A 49 -24.138 -3.604 0.146 1.00 0.00 H new ATOM 0 HA ASP A 49 -23.823 -5.597 -1.949 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -22.026 -3.281 -1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -21.881 -4.223 -2.588 1.00 0.00 H new ATOM 726 N SER A 50 -22.796 -6.836 0.301 1.00 0.00 N ATOM 727 CA SER A 50 -21.930 -7.745 1.032 1.00 0.00 C ATOM 728 C SER A 50 -21.445 -8.858 0.113 1.00 0.00 C ATOM 729 O SER A 50 -20.244 -9.102 0.006 1.00 0.00 O ATOM 730 CB SER A 50 -22.670 -8.332 2.234 1.00 0.00 C ATOM 731 OG SER A 50 -23.429 -7.334 2.892 1.00 0.00 O ATOM 0 H SER A 50 -23.793 -7.003 0.436 1.00 0.00 H new ATOM 0 HA SER A 50 -21.065 -7.190 1.396 1.00 0.00 H new ATOM 0 HB2 SER A 50 -23.327 -9.137 1.905 1.00 0.00 H new ATOM 0 HB3 SER A 50 -21.954 -8.769 2.930 1.00 0.00 H new ATOM 0 HG SER A 50 -22.851 -6.572 3.107 1.00 0.00 H new ATOM 737 N GLU A 51 -22.392 -9.504 -0.574 1.00 0.00 N ATOM 738 CA GLU A 51 -22.085 -10.595 -1.501 1.00 0.00 C ATOM 739 C GLU A 51 -21.079 -10.152 -2.555 1.00 0.00 C ATOM 740 O GLU A 51 -20.210 -10.922 -2.965 1.00 0.00 O ATOM 741 CB GLU A 51 -23.360 -11.076 -2.193 1.00 0.00 C ATOM 742 CG GLU A 51 -24.200 -12.018 -1.350 1.00 0.00 C ATOM 743 CD GLU A 51 -23.599 -13.403 -1.264 1.00 0.00 C ATOM 744 OE1 GLU A 51 -23.533 -14.092 -2.302 1.00 0.00 O ATOM 745 OE2 GLU A 51 -23.191 -13.810 -0.159 1.00 0.00 O ATOM 0 H GLU A 51 -23.386 -9.287 -0.504 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.652 -11.411 -0.922 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -23.964 -10.210 -2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -23.090 -11.578 -3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -24.305 -11.607 -0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -25.202 -12.085 -1.774 1.00 0.00 H new ATOM 752 N ASN A 52 -21.213 -8.905 -2.990 1.00 0.00 N ATOM 753 CA ASN A 52 -20.323 -8.331 -3.993 1.00 0.00 C ATOM 754 C ASN A 52 -18.876 -8.380 -3.520 1.00 0.00 C ATOM 755 O ASN A 52 -17.963 -8.639 -4.305 1.00 0.00 O ATOM 756 CB ASN A 52 -20.723 -6.883 -4.292 1.00 0.00 C ATOM 757 CG ASN A 52 -22.214 -6.729 -4.524 1.00 0.00 C ATOM 758 OD1 ASN A 52 -22.994 -6.691 -3.578 1.00 0.00 O ATOM 759 ND2 ASN A 52 -22.624 -6.635 -5.780 1.00 0.00 N ATOM 0 H ASN A 52 -21.937 -8.266 -2.660 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.412 -8.921 -4.905 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -20.420 -6.247 -3.460 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -20.184 -6.535 -5.173 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -23.617 -6.527 -5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -21.946 -6.671 -6.542 1.00 0.00 H new ATOM 766 N MET A 53 -18.676 -8.157 -2.226 1.00 0.00 N ATOM 767 CA MET A 53 -17.340 -8.175 -1.649 1.00 0.00 C ATOM 768 C MET A 53 -16.830 -9.602 -1.552 1.00 0.00 C ATOM 769 O MET A 53 -15.682 -9.881 -1.893 1.00 0.00 O ATOM 770 CB MET A 53 -17.329 -7.527 -0.263 1.00 0.00 C ATOM 771 CG MET A 53 -17.637 -6.040 -0.281 1.00 0.00 C ATOM 772 SD MET A 53 -16.670 -5.133 -1.506 1.00 0.00 S ATOM 773 CE MET A 53 -15.001 -5.474 -0.953 1.00 0.00 C ATOM 0 H MET A 53 -19.422 -7.962 -1.558 1.00 0.00 H new ATOM 0 HA MET A 53 -16.684 -7.600 -2.303 1.00 0.00 H new ATOM 0 HB2 MET A 53 -18.058 -8.032 0.370 1.00 0.00 H new ATOM 0 HB3 MET A 53 -16.351 -7.681 0.192 1.00 0.00 H new ATOM 0 HG2 MET A 53 -18.698 -5.897 -0.486 1.00 0.00 H new ATOM 0 HG3 MET A 53 -17.444 -5.623 0.707 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.404 -4.564 -1.016 1.00 0.00 H new ATOM 0 HE2 MET A 53 -15.024 -5.823 0.080 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.558 -6.243 -1.586 1.00 0.00 H new ATOM 783 N THR A 54 -17.688 -10.499 -1.083 1.00 0.00 N ATOM 784 CA THR A 54 -17.334 -11.905 -0.949 1.00 0.00 C ATOM 785 C THR A 54 -16.971 -12.499 -2.308 1.00 0.00 C ATOM 786 O THR A 54 -15.990 -13.232 -2.440 1.00 0.00 O ATOM 787 CB THR A 54 -18.496 -12.705 -0.329 1.00 0.00 C ATOM 788 OG1 THR A 54 -19.368 -11.815 0.382 1.00 0.00 O ATOM 789 CG2 THR A 54 -17.978 -13.774 0.619 1.00 0.00 C ATOM 0 H THR A 54 -18.638 -10.276 -0.788 1.00 0.00 H new ATOM 0 HA THR A 54 -16.469 -11.970 -0.289 1.00 0.00 H new ATOM 0 HB THR A 54 -19.043 -13.195 -1.134 1.00 0.00 H new ATOM 0 HG1 THR A 54 -20.107 -12.325 0.774 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.819 -14.323 1.042 1.00 0.00 H new ATOM 0 HG22 THR A 54 -17.333 -14.462 0.073 1.00 0.00 H new ATOM 0 HG23 THR A 54 -17.410 -13.304 1.422 1.00 0.00 H new ATOM 797 N LYS A 55 -17.759 -12.159 -3.320 1.00 0.00 N ATOM 798 CA LYS A 55 -17.526 -12.641 -4.674 1.00 0.00 C ATOM 799 C LYS A 55 -16.207 -12.097 -5.206 1.00 0.00 C ATOM 800 O LYS A 55 -15.392 -12.845 -5.744 1.00 0.00 O ATOM 801 CB LYS A 55 -18.682 -12.237 -5.592 1.00 0.00 C ATOM 802 CG LYS A 55 -19.715 -13.335 -5.801 1.00 0.00 C ATOM 803 CD LYS A 55 -20.095 -14.012 -4.492 1.00 0.00 C ATOM 804 CE LYS A 55 -21.234 -14.998 -4.682 1.00 0.00 C ATOM 805 NZ LYS A 55 -22.549 -14.315 -4.747 1.00 0.00 N ATOM 0 H LYS A 55 -18.570 -11.547 -3.227 1.00 0.00 H new ATOM 0 HA LYS A 55 -17.470 -13.729 -4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -19.177 -11.361 -5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -18.278 -11.942 -6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -20.607 -12.912 -6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.320 -14.079 -6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.227 -14.532 -4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.385 -13.256 -3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -21.074 -15.566 -5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -21.236 -15.713 -3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.281 -14.998 -5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.782 -13.922 -3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -22.507 -13.546 -5.446 1.00 0.00 H new ATOM 819 N SER A 56 -15.991 -10.797 -5.031 1.00 0.00 N ATOM 820 CA SER A 56 -14.759 -10.167 -5.480 1.00 0.00 C ATOM 821 C SER A 56 -13.564 -10.760 -4.742 1.00 0.00 C ATOM 822 O SER A 56 -12.498 -10.934 -5.317 1.00 0.00 O ATOM 823 CB SER A 56 -14.819 -8.653 -5.263 1.00 0.00 C ATOM 824 OG SER A 56 -15.892 -8.077 -5.988 1.00 0.00 O ATOM 0 H SER A 56 -16.652 -10.163 -4.583 1.00 0.00 H new ATOM 0 HA SER A 56 -14.642 -10.358 -6.547 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.937 -8.439 -4.201 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.879 -8.200 -5.577 1.00 0.00 H new ATOM 0 HG SER A 56 -16.707 -8.106 -5.444 1.00 0.00 H new ATOM 830 N HIS A 57 -13.763 -11.088 -3.472 1.00 0.00 N ATOM 831 CA HIS A 57 -12.711 -11.669 -2.645 1.00 0.00 C ATOM 832 C HIS A 57 -12.279 -13.026 -3.195 1.00 0.00 C ATOM 833 O HIS A 57 -11.102 -13.246 -3.473 1.00 0.00 O ATOM 834 CB HIS A 57 -13.213 -11.821 -1.205 1.00 0.00 C ATOM 835 CG HIS A 57 -12.156 -12.188 -0.202 1.00 0.00 C ATOM 836 ND1 HIS A 57 -12.445 -12.473 1.116 1.00 0.00 N ATOM 837 CD2 HIS A 57 -10.810 -12.311 -0.321 1.00 0.00 C ATOM 838 CE1 HIS A 57 -11.329 -12.751 1.760 1.00 0.00 C ATOM 839 NE2 HIS A 57 -10.324 -12.662 0.915 1.00 0.00 N ATOM 0 H HIS A 57 -14.652 -10.960 -2.988 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.848 -11.004 -2.659 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -13.676 -10.884 -0.896 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -13.992 -12.583 -1.186 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.229 -12.161 -1.219 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.252 -13.009 2.806 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.343 -12.827 1.141 1.00 0.00 H new ATOM 848 N GLN A 58 -13.247 -13.918 -3.363 1.00 0.00 N ATOM 849 CA GLN A 58 -12.985 -15.262 -3.869 1.00 0.00 C ATOM 850 C GLN A 58 -12.427 -15.219 -5.290 1.00 0.00 C ATOM 851 O GLN A 58 -11.619 -16.062 -5.677 1.00 0.00 O ATOM 852 CB GLN A 58 -14.272 -16.090 -3.836 1.00 0.00 C ATOM 853 CG GLN A 58 -14.825 -16.290 -2.436 1.00 0.00 C ATOM 854 CD GLN A 58 -16.258 -16.781 -2.434 1.00 0.00 C ATOM 855 OE1 GLN A 58 -16.518 -17.983 -2.412 1.00 0.00 O ATOM 856 NE2 GLN A 58 -17.197 -15.850 -2.458 1.00 0.00 N ATOM 0 H GLN A 58 -14.228 -13.734 -3.155 1.00 0.00 H new ATOM 0 HA GLN A 58 -12.237 -15.728 -3.227 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.027 -15.599 -4.450 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.080 -17.064 -4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.200 -17.006 -1.903 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.768 -15.348 -1.890 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -16.937 -14.864 -2.476 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -18.181 -16.118 -2.459 1.00 0.00 H new ATOM 865 N ASN A 59 -12.866 -14.235 -6.059 1.00 0.00 N ATOM 866 CA ASN A 59 -12.414 -14.077 -7.437 1.00 0.00 C ATOM 867 C ASN A 59 -11.006 -13.487 -7.494 1.00 0.00 C ATOM 868 O ASN A 59 -10.159 -13.947 -8.259 1.00 0.00 O ATOM 869 CB ASN A 59 -13.386 -13.179 -8.205 1.00 0.00 C ATOM 870 CG ASN A 59 -13.082 -13.121 -9.687 1.00 0.00 C ATOM 871 OD1 ASN A 59 -12.604 -14.093 -10.274 1.00 0.00 O ATOM 872 ND2 ASN A 59 -13.360 -11.984 -10.303 1.00 0.00 N ATOM 0 H ASN A 59 -13.537 -13.530 -5.753 1.00 0.00 H new ATOM 0 HA ASN A 59 -12.387 -15.064 -7.899 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -14.403 -13.544 -8.061 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.348 -12.171 -7.791 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.179 -11.888 -11.302 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.755 -11.203 -9.779 1.00 0.00 H new ATOM 879 N LEU A 60 -10.767 -12.477 -6.665 1.00 0.00 N ATOM 880 CA LEU A 60 -9.478 -11.788 -6.602 1.00 0.00 C ATOM 881 C LEU A 60 -8.331 -12.749 -6.308 1.00 0.00 C ATOM 882 O LEU A 60 -7.246 -12.623 -6.880 1.00 0.00 O ATOM 883 CB LEU A 60 -9.534 -10.692 -5.530 1.00 0.00 C ATOM 884 CG LEU A 60 -8.237 -9.914 -5.292 1.00 0.00 C ATOM 885 CD1 LEU A 60 -7.783 -9.217 -6.561 1.00 0.00 C ATOM 886 CD2 LEU A 60 -8.431 -8.904 -4.173 1.00 0.00 C ATOM 0 H LEU A 60 -11.462 -12.110 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.288 -11.343 -7.579 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.314 -9.982 -5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.837 -11.149 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.461 -10.621 -4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.860 -8.671 -6.366 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.608 -9.958 -7.341 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.554 -8.520 -6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.502 -8.356 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.222 -8.205 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.708 -9.425 -3.257 1.00 0.00 H new ATOM 898 N CYS A 61 -8.584 -13.718 -5.438 1.00 0.00 N ATOM 899 CA CYS A 61 -7.571 -14.698 -5.058 1.00 0.00 C ATOM 900 C CYS A 61 -7.032 -15.464 -6.270 1.00 0.00 C ATOM 901 O CYS A 61 -5.891 -15.927 -6.257 1.00 0.00 O ATOM 902 CB CYS A 61 -8.142 -15.671 -4.027 1.00 0.00 C ATOM 903 SG CYS A 61 -8.556 -14.902 -2.442 1.00 0.00 S ATOM 0 H CYS A 61 -9.486 -13.848 -4.980 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.735 -14.154 -4.618 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.038 -16.137 -4.439 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.419 -16.468 -3.855 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.613 -14.158 -2.584 1.00 0.00 H new ATOM 909 N THR A 62 -7.840 -15.583 -7.317 1.00 0.00 N ATOM 910 CA THR A 62 -7.421 -16.291 -8.520 1.00 0.00 C ATOM 911 C THR A 62 -7.260 -15.327 -9.699 1.00 0.00 C ATOM 912 O THR A 62 -7.169 -15.748 -10.851 1.00 0.00 O ATOM 913 CB THR A 62 -8.432 -17.394 -8.896 1.00 0.00 C ATOM 914 OG1 THR A 62 -9.206 -17.765 -7.744 1.00 0.00 O ATOM 915 CG2 THR A 62 -7.715 -18.621 -9.442 1.00 0.00 C ATOM 0 H THR A 62 -8.785 -15.200 -7.357 1.00 0.00 H new ATOM 0 HA THR A 62 -6.457 -16.752 -8.304 1.00 0.00 H new ATOM 0 HB THR A 62 -9.093 -17.001 -9.669 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.846 -18.464 -7.992 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.448 -19.386 -9.700 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.149 -18.346 -10.332 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.035 -19.012 -8.685 1.00 0.00 H new ATOM 923 N LYS A 63 -7.215 -14.032 -9.407 1.00 0.00 N ATOM 924 CA LYS A 63 -7.071 -13.023 -10.453 1.00 0.00 C ATOM 925 C LYS A 63 -5.826 -12.170 -10.235 1.00 0.00 C ATOM 926 O LYS A 63 -5.209 -11.695 -11.192 1.00 0.00 O ATOM 927 CB LYS A 63 -8.308 -12.119 -10.511 1.00 0.00 C ATOM 928 CG LYS A 63 -9.535 -12.780 -11.122 1.00 0.00 C ATOM 929 CD LYS A 63 -9.245 -13.314 -12.514 1.00 0.00 C ATOM 930 CE LYS A 63 -10.503 -13.817 -13.200 1.00 0.00 C ATOM 931 NZ LYS A 63 -11.166 -14.894 -12.423 1.00 0.00 N ATOM 0 H LYS A 63 -7.276 -13.656 -8.461 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.968 -13.552 -11.401 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.551 -11.790 -9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.065 -11.226 -11.087 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.867 -13.596 -10.480 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.351 -12.060 -11.170 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.792 -12.528 -13.118 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.519 -14.124 -12.448 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.198 -12.988 -13.337 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.251 -14.189 -14.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.929 -15.314 -12.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.469 -15.628 -12.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.565 -14.496 -11.549 1.00 0.00 H new ATOM 945 N GLY A 64 -5.464 -11.961 -8.978 1.00 0.00 N ATOM 946 CA GLY A 64 -4.300 -11.157 -8.667 1.00 0.00 C ATOM 947 C GLY A 64 -4.643 -9.687 -8.537 1.00 0.00 C ATOM 948 O GLY A 64 -4.398 -9.074 -7.501 1.00 0.00 O ATOM 0 H GLY A 64 -5.956 -12.334 -8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.855 -11.509 -7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.551 -11.287 -9.448 1.00 0.00 H new ATOM 952 N GLN A 65 -5.218 -9.120 -9.586 1.00 0.00 N ATOM 953 CA GLN A 65 -5.601 -7.717 -9.572 1.00 0.00 C ATOM 954 C GLN A 65 -7.028 -7.545 -10.082 1.00 0.00 C ATOM 955 O GLN A 65 -7.340 -7.918 -11.212 1.00 0.00 O ATOM 956 CB GLN A 65 -4.635 -6.885 -10.420 1.00 0.00 C ATOM 957 CG GLN A 65 -4.723 -5.392 -10.144 1.00 0.00 C ATOM 958 CD GLN A 65 -3.727 -4.579 -10.949 1.00 0.00 C ATOM 959 OE1 GLN A 65 -3.459 -4.868 -12.118 1.00 0.00 O ATOM 960 NE2 GLN A 65 -3.156 -3.563 -10.322 1.00 0.00 N ATOM 0 H GLN A 65 -5.429 -9.609 -10.456 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.553 -7.363 -8.542 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.616 -7.222 -10.233 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.842 -7.065 -11.475 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.732 -5.046 -10.369 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.554 -5.214 -9.082 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.405 -3.356 -9.355 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.467 -2.987 -10.806 1.00 0.00 H new ATOM 969 N VAL A 66 -7.893 -7.003 -9.238 1.00 0.00 N ATOM 970 CA VAL A 66 -9.285 -6.767 -9.603 1.00 0.00 C ATOM 971 C VAL A 66 -9.678 -5.348 -9.218 1.00 0.00 C ATOM 972 O VAL A 66 -9.539 -4.947 -8.061 1.00 0.00 O ATOM 973 CB VAL A 66 -10.246 -7.776 -8.923 1.00 0.00 C ATOM 974 CG1 VAL A 66 -11.699 -7.378 -9.141 1.00 0.00 C ATOM 975 CG2 VAL A 66 -10.006 -9.186 -9.442 1.00 0.00 C ATOM 0 H VAL A 66 -7.655 -6.716 -8.289 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.373 -6.904 -10.681 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.041 -7.759 -7.853 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -12.352 -8.102 -8.654 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -11.873 -6.389 -8.716 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -11.914 -7.357 -10.209 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.692 -9.876 -8.951 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.175 -9.211 -10.518 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.979 -9.482 -9.229 1.00 0.00 H new ATOM 985 N VAL A 67 -10.144 -4.588 -10.192 1.00 0.00 N ATOM 986 CA VAL A 67 -10.552 -3.216 -9.954 1.00 0.00 C ATOM 987 C VAL A 67 -12.064 -3.122 -9.807 1.00 0.00 C ATOM 988 O VAL A 67 -12.795 -3.070 -10.797 1.00 0.00 O ATOM 989 CB VAL A 67 -10.099 -2.283 -11.093 1.00 0.00 C ATOM 990 CG1 VAL A 67 -10.384 -0.833 -10.738 1.00 0.00 C ATOM 991 CG2 VAL A 67 -8.621 -2.481 -11.400 1.00 0.00 C ATOM 0 H VAL A 67 -10.249 -4.899 -11.158 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.072 -2.897 -9.029 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.667 -2.536 -11.988 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.058 -0.188 -11.554 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.454 -0.701 -10.577 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.845 -0.568 -9.828 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.324 -1.812 -12.207 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.032 -2.260 -10.510 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.447 -3.514 -11.703 1.00 0.00 H new ATOM 1001 N SER A 68 -12.525 -3.126 -8.569 1.00 0.00 N ATOM 1002 CA SER A 68 -13.943 -3.027 -8.282 1.00 0.00 C ATOM 1003 C SER A 68 -14.410 -1.591 -8.495 1.00 0.00 C ATOM 1004 O SER A 68 -13.848 -0.659 -7.913 1.00 0.00 O ATOM 1005 CB SER A 68 -14.215 -3.474 -6.844 1.00 0.00 C ATOM 1006 OG SER A 68 -13.591 -4.721 -6.579 1.00 0.00 O ATOM 0 H SER A 68 -11.932 -3.197 -7.742 1.00 0.00 H new ATOM 0 HA SER A 68 -14.497 -3.679 -8.957 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.845 -2.721 -6.148 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.290 -3.558 -6.681 1.00 0.00 H new ATOM 0 HG SER A 68 -13.775 -4.989 -5.654 1.00 0.00 H new ATOM 1012 N GLY A 69 -15.426 -1.421 -9.337 1.00 0.00 N ATOM 1013 CA GLY A 69 -15.949 -0.098 -9.626 1.00 0.00 C ATOM 1014 C GLY A 69 -16.488 0.593 -8.389 1.00 0.00 C ATOM 1015 O GLY A 69 -16.679 -0.049 -7.352 1.00 0.00 O ATOM 0 H GLY A 69 -15.898 -2.181 -9.826 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.161 0.513 -10.066 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.743 -0.178 -10.369 1.00 0.00 H new ATOM 1019 N GLN A 70 -16.739 1.898 -8.499 1.00 0.00 N ATOM 1020 CA GLN A 70 -17.250 2.675 -7.374 1.00 0.00 C ATOM 1021 C GLN A 70 -18.507 2.034 -6.801 1.00 0.00 C ATOM 1022 O GLN A 70 -19.495 1.817 -7.506 1.00 0.00 O ATOM 1023 CB GLN A 70 -17.515 4.134 -7.773 1.00 0.00 C ATOM 1024 CG GLN A 70 -18.318 4.301 -9.053 1.00 0.00 C ATOM 1025 CD GLN A 70 -18.664 5.749 -9.347 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -18.909 6.530 -8.303 1.00 0.00 O flip ATOM 1027 NE2 GLN A 70 -18.711 6.163 -10.507 1.00 0.00 N flip ATOM 0 H GLN A 70 -16.597 2.436 -9.354 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.483 2.679 -6.599 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -18.045 4.630 -6.959 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -16.559 4.645 -7.889 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.750 3.891 -9.888 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -19.238 3.721 -8.978 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -18.516 5.530 -11.283 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -18.945 7.139 -10.691 1.00 0.00 H new ATOM 1036 N TYR A 71 -18.442 1.710 -5.525 1.00 0.00 N ATOM 1037 CA TYR A 71 -19.548 1.077 -4.833 1.00 0.00 C ATOM 1038 C TYR A 71 -19.964 1.906 -3.628 1.00 0.00 C ATOM 1039 O TYR A 71 -19.278 2.857 -3.255 1.00 0.00 O ATOM 1040 CB TYR A 71 -19.146 -0.337 -4.388 1.00 0.00 C ATOM 1041 CG TYR A 71 -17.823 -0.403 -3.642 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -17.660 0.227 -2.414 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -16.740 -1.104 -4.163 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -16.465 0.163 -1.729 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -15.538 -1.172 -3.481 1.00 0.00 C ATOM 1046 CZ TYR A 71 -15.408 -0.537 -2.264 1.00 0.00 C ATOM 1047 OH TYR A 71 -14.220 -0.605 -1.574 1.00 0.00 O ATOM 0 H TYR A 71 -17.624 1.877 -4.940 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.395 1.008 -5.515 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.931 -0.742 -3.749 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -19.087 -0.979 -5.267 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.486 0.778 -1.988 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -16.839 -1.603 -5.115 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -16.359 0.660 -0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.706 -1.719 -3.900 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.769 -1.450 -1.781 1.00 0.00 H new ATOM 1057 N ARG A 72 -21.081 1.541 -3.025 1.00 0.00 N ATOM 1058 CA ARG A 72 -21.580 2.234 -1.850 1.00 0.00 C ATOM 1059 C ARG A 72 -20.844 1.749 -0.606 1.00 0.00 C ATOM 1060 O ARG A 72 -21.186 0.715 -0.035 1.00 0.00 O ATOM 1061 CB ARG A 72 -23.082 1.996 -1.699 1.00 0.00 C ATOM 1062 CG ARG A 72 -23.911 2.673 -2.772 1.00 0.00 C ATOM 1063 CD ARG A 72 -25.308 2.085 -2.851 1.00 0.00 C ATOM 1064 NE ARG A 72 -26.198 2.922 -3.649 1.00 0.00 N ATOM 1065 CZ ARG A 72 -27.084 2.459 -4.527 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -27.180 1.157 -4.775 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -27.861 3.314 -5.173 1.00 0.00 N ATOM 0 H ARG A 72 -21.664 0.762 -3.332 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.404 3.303 -1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -23.276 0.924 -1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -23.403 2.356 -0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -23.976 3.741 -2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -23.415 2.567 -3.737 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.259 1.087 -3.286 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -25.715 1.975 -1.846 1.00 0.00 H new ATOM 0 HE ARG A 72 -26.137 3.933 -3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -26.570 0.499 -4.290 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -27.864 0.816 -5.451 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.776 4.315 -4.995 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -28.544 2.972 -5.849 1.00 0.00 H new ATOM 1081 N MET A 73 -19.824 2.490 -0.202 1.00 0.00 N ATOM 1082 CA MET A 73 -19.036 2.136 0.970 1.00 0.00 C ATOM 1083 C MET A 73 -19.670 2.722 2.224 1.00 0.00 C ATOM 1084 O MET A 73 -20.107 3.871 2.223 1.00 0.00 O ATOM 1085 CB MET A 73 -17.596 2.635 0.821 1.00 0.00 C ATOM 1086 CG MET A 73 -16.653 2.102 1.889 1.00 0.00 C ATOM 1087 SD MET A 73 -16.644 0.300 1.971 1.00 0.00 S ATOM 1088 CE MET A 73 -15.368 0.031 3.200 1.00 0.00 C ATOM 0 H MET A 73 -19.521 3.344 -0.670 1.00 0.00 H new ATOM 0 HA MET A 73 -19.016 1.050 1.059 1.00 0.00 H new ATOM 0 HB2 MET A 73 -17.220 2.346 -0.161 1.00 0.00 H new ATOM 0 HB3 MET A 73 -17.592 3.724 0.856 1.00 0.00 H new ATOM 0 HG2 MET A 73 -15.643 2.458 1.687 1.00 0.00 H new ATOM 0 HG3 MET A 73 -16.944 2.505 2.859 1.00 0.00 H new ATOM 0 HE1 MET A 73 -15.397 -1.006 3.534 1.00 0.00 H new ATOM 0 HE2 MET A 73 -14.392 0.244 2.764 1.00 0.00 H new ATOM 0 HE3 MET A 73 -15.537 0.691 4.051 1.00 0.00 H new ATOM 1098 N LEU A 74 -19.723 1.927 3.284 1.00 0.00 N ATOM 1099 CA LEU A 74 -20.316 2.366 4.537 1.00 0.00 C ATOM 1100 C LEU A 74 -19.336 3.225 5.328 1.00 0.00 C ATOM 1101 O LEU A 74 -18.243 2.776 5.679 1.00 0.00 O ATOM 1102 CB LEU A 74 -20.746 1.155 5.372 1.00 0.00 C ATOM 1103 CG LEU A 74 -21.565 1.479 6.624 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -22.977 1.894 6.246 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -21.593 0.285 7.564 1.00 0.00 C ATOM 0 H LEU A 74 -19.361 0.973 3.300 1.00 0.00 H new ATOM 0 HA LEU A 74 -21.194 2.969 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.330 0.487 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -19.853 0.608 5.674 1.00 0.00 H new ATOM 0 HG LEU A 74 -21.090 2.313 7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.544 2.120 7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -22.938 2.779 5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.463 1.081 5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -22.179 0.532 8.449 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -22.044 -0.567 7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -20.575 0.033 7.862 1.00 0.00 H new ATOM 1117 N ALA A 75 -19.726 4.466 5.575 1.00 0.00 N ATOM 1118 CA ALA A 75 -18.906 5.394 6.335 1.00 0.00 C ATOM 1119 C ALA A 75 -19.226 5.282 7.822 1.00 0.00 C ATOM 1120 O ALA A 75 -20.142 4.555 8.212 1.00 0.00 O ATOM 1121 CB ALA A 75 -19.127 6.818 5.848 1.00 0.00 C ATOM 0 H ALA A 75 -20.613 4.855 5.257 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.857 5.138 6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.506 7.501 6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.858 6.888 4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -20.176 7.087 5.973 1.00 0.00 H new ATOM 1127 N LYS A 76 -18.494 6.026 8.643 1.00 0.00 N ATOM 1128 CA LYS A 76 -18.686 5.997 10.090 1.00 0.00 C ATOM 1129 C LYS A 76 -20.102 6.411 10.480 1.00 0.00 C ATOM 1130 O LYS A 76 -20.704 5.816 11.372 1.00 0.00 O ATOM 1131 CB LYS A 76 -17.666 6.906 10.780 1.00 0.00 C ATOM 1132 CG LYS A 76 -17.708 6.830 12.300 1.00 0.00 C ATOM 1133 CD LYS A 76 -16.678 7.748 12.936 1.00 0.00 C ATOM 1134 CE LYS A 76 -16.936 9.202 12.583 1.00 0.00 C ATOM 1135 NZ LYS A 76 -16.017 10.117 13.306 1.00 0.00 N ATOM 0 H LYS A 76 -17.759 6.660 8.330 1.00 0.00 H new ATOM 0 HA LYS A 76 -18.535 4.969 10.421 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.666 6.639 10.439 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.843 7.936 10.472 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.704 7.102 12.651 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.527 5.803 12.618 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.700 7.626 14.019 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.680 7.463 12.603 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.817 9.342 11.509 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.968 9.457 12.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.225 11.100 13.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.148 10.002 14.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.033 9.890 13.056 1.00 0.00 H new ATOM 1149 N HIS A 77 -20.643 7.418 9.802 1.00 0.00 N ATOM 1150 CA HIS A 77 -21.993 7.891 10.111 1.00 0.00 C ATOM 1151 C HIS A 77 -23.067 7.043 9.421 1.00 0.00 C ATOM 1152 O HIS A 77 -24.231 7.434 9.355 1.00 0.00 O ATOM 1153 CB HIS A 77 -22.161 9.386 9.768 1.00 0.00 C ATOM 1154 CG HIS A 77 -22.100 9.734 8.306 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -21.082 10.205 7.552 1.00 0.00 N flip ATOM 1156 CD2 HIS A 77 -23.189 9.663 7.465 1.00 0.00 C flip ATOM 1157 CE1 HIS A 77 -21.566 10.411 6.285 1.00 0.00 C flip ATOM 1158 NE2 HIS A 77 -22.840 10.075 6.261 1.00 0.00 N flip ATOM 0 H HIS A 77 -20.177 7.918 9.045 1.00 0.00 H new ATOM 0 HA HIS A 77 -22.130 7.779 11.186 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -23.119 9.724 10.163 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -21.385 9.948 10.288 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -24.175 9.323 7.747 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -20.998 10.786 5.447 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -23.454 10.125 5.448 1.00 0.00 H new ATOM 1167 N GLY A 78 -22.669 5.882 8.910 1.00 0.00 N ATOM 1168 CA GLY A 78 -23.610 4.992 8.253 1.00 0.00 C ATOM 1169 C GLY A 78 -23.977 5.446 6.856 1.00 0.00 C ATOM 1170 O GLY A 78 -24.871 4.879 6.227 1.00 0.00 O ATOM 0 H GLY A 78 -21.708 5.541 8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -23.181 3.991 8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -24.516 4.921 8.856 1.00 0.00 H new ATOM 1174 N GLY A 79 -23.291 6.466 6.371 1.00 0.00 N ATOM 1175 CA GLY A 79 -23.563 6.971 5.043 1.00 0.00 C ATOM 1176 C GLY A 79 -22.850 6.162 3.985 1.00 0.00 C ATOM 1177 O GLY A 79 -21.744 5.679 4.214 1.00 0.00 O ATOM 0 H GLY A 79 -22.550 6.955 6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.637 6.949 4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -23.250 8.013 4.978 1.00 0.00 H new ATOM 1181 N TYR A 80 -23.478 6.009 2.834 1.00 0.00 N ATOM 1182 CA TYR A 80 -22.893 5.240 1.750 1.00 0.00 C ATOM 1183 C TYR A 80 -22.228 6.145 0.724 1.00 0.00 C ATOM 1184 O TYR A 80 -22.895 6.864 -0.019 1.00 0.00 O ATOM 1185 CB TYR A 80 -23.955 4.363 1.088 1.00 0.00 C ATOM 1186 CG TYR A 80 -24.217 3.081 1.843 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -23.310 2.034 1.792 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -25.362 2.919 2.610 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -23.534 0.859 2.477 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -25.594 1.747 3.302 1.00 0.00 C ATOM 1191 CZ TYR A 80 -24.677 0.720 3.232 1.00 0.00 C ATOM 1192 OH TYR A 80 -24.904 -0.453 3.914 1.00 0.00 O ATOM 0 H TYR A 80 -24.394 6.407 2.625 1.00 0.00 H new ATOM 0 HA TYR A 80 -22.121 4.597 2.172 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -24.884 4.927 1.007 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -23.638 4.122 0.073 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -22.410 2.141 1.204 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -26.082 3.722 2.666 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.818 0.053 2.422 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -26.490 1.635 3.895 1.00 0.00 H new ATOM 0 HH TYR A 80 -25.614 -0.315 4.575 1.00 0.00 H new ATOM 1202 N VAL A 81 -20.907 6.104 0.705 1.00 0.00 N ATOM 1203 CA VAL A 81 -20.114 6.902 -0.218 1.00 0.00 C ATOM 1204 C VAL A 81 -19.718 6.058 -1.425 1.00 0.00 C ATOM 1205 O VAL A 81 -19.287 4.918 -1.267 1.00 0.00 O ATOM 1206 CB VAL A 81 -18.827 7.443 0.454 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -18.626 8.915 0.133 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -18.853 7.218 1.963 1.00 0.00 C ATOM 0 H VAL A 81 -20.353 5.517 1.328 1.00 0.00 H new ATOM 0 HA VAL A 81 -20.727 7.748 -0.529 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.983 6.886 0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.716 9.272 0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.538 9.043 -0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -19.479 9.487 0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.936 7.608 2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -19.712 7.734 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.930 6.151 2.170 1.00 0.00 H new ATOM 1218 N TRP A 82 -19.866 6.610 -2.622 1.00 0.00 N ATOM 1219 CA TRP A 82 -19.517 5.885 -3.840 1.00 0.00 C ATOM 1220 C TRP A 82 -18.008 5.911 -4.064 1.00 0.00 C ATOM 1221 O TRP A 82 -17.470 6.811 -4.716 1.00 0.00 O ATOM 1222 CB TRP A 82 -20.257 6.464 -5.045 1.00 0.00 C ATOM 1223 CG TRP A 82 -21.673 5.986 -5.156 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -22.750 6.413 -4.431 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -22.166 4.985 -6.051 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -23.880 5.734 -4.823 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -23.544 4.851 -5.812 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -21.571 4.184 -7.026 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -24.340 3.953 -6.518 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -22.361 3.293 -7.726 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -23.730 3.183 -7.467 1.00 0.00 C ATOM 0 H TRP A 82 -20.223 7.553 -2.777 1.00 0.00 H new ATOM 0 HA TRP A 82 -19.826 4.846 -3.722 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -20.252 7.552 -4.977 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -19.719 6.199 -5.955 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -22.718 7.172 -3.663 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -24.816 5.867 -4.439 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -20.513 4.259 -7.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -25.399 3.869 -6.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -21.913 2.671 -8.487 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -24.319 2.473 -8.030 1.00 0.00 H new ATOM 1242 N LEU A 83 -17.340 4.908 -3.514 1.00 0.00 N ATOM 1243 CA LEU A 83 -15.892 4.795 -3.600 1.00 0.00 C ATOM 1244 C LEU A 83 -15.472 3.596 -4.449 1.00 0.00 C ATOM 1245 O LEU A 83 -16.043 2.512 -4.335 1.00 0.00 O ATOM 1246 CB LEU A 83 -15.305 4.648 -2.190 1.00 0.00 C ATOM 1247 CG LEU A 83 -14.919 5.949 -1.474 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -16.039 6.972 -1.538 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -14.558 5.664 -0.024 1.00 0.00 C ATOM 0 H LEU A 83 -17.786 4.151 -2.996 1.00 0.00 H new ATOM 0 HA LEU A 83 -15.512 5.699 -4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -16.030 4.119 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.419 4.016 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 83 -14.052 6.366 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -15.731 7.881 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.261 7.204 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.930 6.566 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -14.286 6.595 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -15.414 5.218 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.715 4.974 0.012 1.00 0.00 H new ATOM 1261 N GLU A 84 -14.479 3.807 -5.300 1.00 0.00 N ATOM 1262 CA GLU A 84 -13.943 2.752 -6.152 1.00 0.00 C ATOM 1263 C GLU A 84 -12.705 2.166 -5.479 1.00 0.00 C ATOM 1264 O GLU A 84 -12.067 2.845 -4.677 1.00 0.00 O ATOM 1265 CB GLU A 84 -13.591 3.315 -7.534 1.00 0.00 C ATOM 1266 CG GLU A 84 -13.101 2.267 -8.518 1.00 0.00 C ATOM 1267 CD GLU A 84 -12.872 2.825 -9.905 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -13.865 3.071 -10.624 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -11.702 3.012 -10.290 1.00 0.00 O ATOM 0 H GLU A 84 -14.022 4.711 -5.420 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.689 1.969 -6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.470 3.807 -7.950 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.822 4.079 -7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.172 1.834 -8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.830 1.458 -8.573 1.00 0.00 H new ATOM 1276 N THR A 85 -12.369 0.918 -5.765 1.00 0.00 N ATOM 1277 CA THR A 85 -11.203 0.309 -5.141 1.00 0.00 C ATOM 1278 C THR A 85 -10.577 -0.773 -6.012 1.00 0.00 C ATOM 1279 O THR A 85 -11.237 -1.733 -6.406 1.00 0.00 O ATOM 1280 CB THR A 85 -11.566 -0.298 -3.769 1.00 0.00 C ATOM 1281 OG1 THR A 85 -12.288 0.662 -2.985 1.00 0.00 O ATOM 1282 CG2 THR A 85 -10.317 -0.725 -3.016 1.00 0.00 C ATOM 0 H THR A 85 -12.876 0.315 -6.413 1.00 0.00 H new ATOM 0 HA THR A 85 -10.474 1.108 -5.011 1.00 0.00 H new ATOM 0 HB THR A 85 -12.188 -1.176 -3.941 1.00 0.00 H new ATOM 0 HG1 THR A 85 -12.913 0.196 -2.391 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.600 -1.149 -2.053 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.779 -1.473 -3.598 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.675 0.141 -2.856 1.00 0.00 H new ATOM 1290 N GLN A 86 -9.300 -0.603 -6.323 1.00 0.00 N ATOM 1291 CA GLN A 86 -8.579 -1.585 -7.112 1.00 0.00 C ATOM 1292 C GLN A 86 -7.701 -2.420 -6.187 1.00 0.00 C ATOM 1293 O GLN A 86 -6.875 -1.880 -5.448 1.00 0.00 O ATOM 1294 CB GLN A 86 -7.740 -0.918 -8.212 1.00 0.00 C ATOM 1295 CG GLN A 86 -6.737 0.113 -7.712 1.00 0.00 C ATOM 1296 CD GLN A 86 -5.423 0.042 -8.466 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -5.000 -1.032 -8.895 1.00 0.00 O ATOM 1298 NE2 GLN A 86 -4.775 1.180 -8.651 1.00 0.00 N ATOM 0 H GLN A 86 -8.745 0.205 -6.041 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.299 -2.233 -7.612 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.202 -1.692 -8.759 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -8.413 -0.436 -8.921 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.161 1.112 -7.817 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.554 -0.046 -6.649 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.157 2.050 -8.281 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.893 1.187 -9.164 1.00 0.00 H new ATOM 1307 N GLY A 87 -7.899 -3.728 -6.206 1.00 0.00 N ATOM 1308 CA GLY A 87 -7.133 -4.603 -5.344 1.00 0.00 C ATOM 1309 C GLY A 87 -6.038 -5.342 -6.078 1.00 0.00 C ATOM 1310 O GLY A 87 -6.310 -6.133 -6.978 1.00 0.00 O ATOM 0 H GLY A 87 -8.577 -4.200 -6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.691 -4.016 -4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.804 -5.326 -4.880 1.00 0.00 H new ATOM 1314 N THR A 88 -4.801 -5.072 -5.697 1.00 0.00 N ATOM 1315 CA THR A 88 -3.652 -5.722 -6.300 1.00 0.00 C ATOM 1316 C THR A 88 -2.959 -6.614 -5.273 1.00 0.00 C ATOM 1317 O THR A 88 -2.305 -6.124 -4.351 1.00 0.00 O ATOM 1318 CB THR A 88 -2.651 -4.686 -6.839 1.00 0.00 C ATOM 1319 OG1 THR A 88 -3.353 -3.639 -7.526 1.00 0.00 O ATOM 1320 CG2 THR A 88 -1.653 -5.338 -7.783 1.00 0.00 C ATOM 0 H THR A 88 -4.567 -4.401 -4.966 1.00 0.00 H new ATOM 0 HA THR A 88 -4.006 -6.329 -7.134 1.00 0.00 H new ATOM 0 HB THR A 88 -2.106 -4.265 -5.994 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.930 -2.777 -7.329 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.955 -4.586 -8.151 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.102 -6.114 -7.251 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.185 -5.782 -8.624 1.00 0.00 H new ATOM 1328 N VAL A 89 -3.125 -7.917 -5.419 1.00 0.00 N ATOM 1329 CA VAL A 89 -2.528 -8.872 -4.499 1.00 0.00 C ATOM 1330 C VAL A 89 -1.036 -9.044 -4.771 1.00 0.00 C ATOM 1331 O VAL A 89 -0.624 -9.277 -5.908 1.00 0.00 O ATOM 1332 CB VAL A 89 -3.223 -10.251 -4.586 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -2.625 -11.223 -3.582 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -4.721 -10.114 -4.362 1.00 0.00 C ATOM 0 H VAL A 89 -3.671 -8.340 -6.169 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.664 -8.470 -3.495 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.058 -10.648 -5.588 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.130 -12.186 -3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.563 -11.352 -3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.753 -10.829 -2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.190 -11.096 -4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.904 -9.690 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.144 -9.458 -5.123 1.00 0.00 H new ATOM 1344 N ILE A 90 -0.237 -8.911 -3.722 1.00 0.00 N ATOM 1345 CA ILE A 90 1.203 -9.073 -3.828 1.00 0.00 C ATOM 1346 C ILE A 90 1.586 -10.477 -3.357 1.00 0.00 C ATOM 1347 O ILE A 90 1.020 -10.993 -2.391 1.00 0.00 O ATOM 1348 CB ILE A 90 1.963 -7.990 -3.018 1.00 0.00 C ATOM 1349 CG1 ILE A 90 3.478 -8.143 -3.194 1.00 0.00 C ATOM 1350 CG2 ILE A 90 1.586 -8.039 -1.542 1.00 0.00 C ATOM 1351 CD1 ILE A 90 4.281 -7.030 -2.556 1.00 0.00 C ATOM 0 H ILE A 90 -0.566 -8.690 -2.782 1.00 0.00 H new ATOM 0 HA ILE A 90 1.493 -8.948 -4.871 1.00 0.00 H new ATOM 0 HB ILE A 90 1.668 -7.015 -3.407 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.790 -9.095 -2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 90 3.709 -8.181 -4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.135 -7.268 -1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.515 -7.866 -1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.838 -9.018 -1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.344 -7.207 -2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.998 -6.076 -3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.080 -7.004 -1.485 1.00 0.00 H new ATOM 1363 N TYR A 91 2.518 -11.104 -4.053 1.00 0.00 N ATOM 1364 CA TYR A 91 2.940 -12.451 -3.710 1.00 0.00 C ATOM 1365 C TYR A 91 4.284 -12.438 -3.001 1.00 0.00 C ATOM 1366 O TYR A 91 5.063 -11.498 -3.145 1.00 0.00 O ATOM 1367 CB TYR A 91 3.036 -13.319 -4.969 1.00 0.00 C ATOM 1368 CG TYR A 91 1.800 -13.281 -5.843 1.00 0.00 C ATOM 1369 CD1 TYR A 91 1.606 -12.260 -6.765 1.00 0.00 C ATOM 1370 CD2 TYR A 91 0.830 -14.271 -5.746 1.00 0.00 C ATOM 1371 CE1 TYR A 91 0.483 -12.228 -7.565 1.00 0.00 C ATOM 1372 CE2 TYR A 91 -0.295 -14.247 -6.547 1.00 0.00 C ATOM 1373 CZ TYR A 91 -0.464 -13.223 -7.454 1.00 0.00 C ATOM 1374 OH TYR A 91 -1.580 -13.196 -8.258 1.00 0.00 O ATOM 0 H TYR A 91 2.997 -10.702 -4.859 1.00 0.00 H new ATOM 0 HA TYR A 91 2.193 -12.871 -3.037 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.894 -12.993 -5.557 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.226 -14.350 -4.672 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.346 -11.479 -6.857 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.958 -15.072 -5.033 1.00 0.00 H new ATOM 0 HE1 TYR A 91 0.346 -11.426 -8.276 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -1.038 -15.026 -6.463 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.148 -13.969 -8.056 1.00 0.00 H new ATOM 1384 N ASN A 92 4.540 -13.476 -2.222 1.00 0.00 N ATOM 1385 CA ASN A 92 5.803 -13.604 -1.505 1.00 0.00 C ATOM 1386 C ASN A 92 6.890 -14.055 -2.480 1.00 0.00 C ATOM 1387 O ASN A 92 6.675 -14.983 -3.261 1.00 0.00 O ATOM 1388 CB ASN A 92 5.668 -14.607 -0.353 1.00 0.00 C ATOM 1389 CG ASN A 92 6.933 -14.709 0.479 1.00 0.00 C ATOM 1390 OD1 ASN A 92 7.848 -15.454 0.139 1.00 0.00 O ATOM 1391 ND2 ASN A 92 6.991 -13.967 1.573 1.00 0.00 N ATOM 0 H ASN A 92 3.889 -14.246 -2.068 1.00 0.00 H new ATOM 0 HA ASN A 92 6.076 -12.638 -1.080 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.838 -14.310 0.288 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.423 -15.589 -0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.818 -14.001 2.169 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.209 -13.361 1.820 1.00 0.00 H new ATOM 1398 N PRO A 93 8.067 -13.411 -2.453 1.00 0.00 N ATOM 1399 CA PRO A 93 9.178 -13.736 -3.365 1.00 0.00 C ATOM 1400 C PRO A 93 9.763 -15.139 -3.169 1.00 0.00 C ATOM 1401 O PRO A 93 10.515 -15.623 -4.016 1.00 0.00 O ATOM 1402 CB PRO A 93 10.231 -12.674 -3.038 1.00 0.00 C ATOM 1403 CG PRO A 93 9.903 -12.219 -1.659 1.00 0.00 C ATOM 1404 CD PRO A 93 8.411 -12.306 -1.539 1.00 0.00 C ATOM 0 HA PRO A 93 8.838 -13.735 -4.401 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.238 -13.088 -3.088 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.191 -11.847 -3.747 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.392 -12.847 -0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.249 -11.199 -1.492 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.100 -12.517 -0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.928 -11.374 -1.833 1.00 0.00 H new ATOM 1412 N ARG A 94 9.432 -15.787 -2.061 1.00 0.00 N ATOM 1413 CA ARG A 94 9.943 -17.126 -1.788 1.00 0.00 C ATOM 1414 C ARG A 94 8.842 -18.175 -1.893 1.00 0.00 C ATOM 1415 O ARG A 94 8.993 -19.181 -2.588 1.00 0.00 O ATOM 1416 CB ARG A 94 10.576 -17.191 -0.397 1.00 0.00 C ATOM 1417 CG ARG A 94 11.842 -16.369 -0.259 1.00 0.00 C ATOM 1418 CD ARG A 94 12.572 -16.695 1.034 1.00 0.00 C ATOM 1419 NE ARG A 94 11.724 -16.503 2.213 1.00 0.00 N ATOM 1420 CZ ARG A 94 11.752 -15.414 2.983 1.00 0.00 C ATOM 1421 NH1 ARG A 94 12.573 -14.412 2.699 1.00 0.00 N ATOM 1422 NH2 ARG A 94 10.955 -15.329 4.037 1.00 0.00 N ATOM 0 H ARG A 94 8.816 -15.412 -1.340 1.00 0.00 H new ATOM 0 HA ARG A 94 10.702 -17.341 -2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.849 -16.847 0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.802 -18.231 -0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 94 12.498 -16.561 -1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 94 11.594 -15.308 -0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 94 12.919 -17.728 1.003 1.00 0.00 H new ATOM 0 HD3 ARG A 94 13.457 -16.064 1.119 1.00 0.00 H new ATOM 0 HE ARG A 94 11.072 -17.248 2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 94 13.188 -14.471 1.888 1.00 0.00 H new ATOM 0 HH12 ARG A 94 12.589 -13.582 3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.320 -16.096 4.260 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.976 -14.497 4.626 1.00 0.00 H new ATOM 1436 N ASN A 95 7.733 -17.936 -1.201 1.00 0.00 N ATOM 1437 CA ASN A 95 6.610 -18.870 -1.203 1.00 0.00 C ATOM 1438 C ASN A 95 5.856 -18.834 -2.525 1.00 0.00 C ATOM 1439 O ASN A 95 5.142 -19.778 -2.860 1.00 0.00 O ATOM 1440 CB ASN A 95 5.642 -18.561 -0.057 1.00 0.00 C ATOM 1441 CG ASN A 95 6.287 -18.685 1.310 1.00 0.00 C ATOM 1442 OD1 ASN A 95 6.775 -17.704 1.867 1.00 0.00 O ATOM 1443 ND2 ASN A 95 6.296 -19.889 1.858 1.00 0.00 N ATOM 0 H ASN A 95 7.587 -17.103 -0.631 1.00 0.00 H new ATOM 0 HA ASN A 95 7.024 -19.869 -1.066 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.253 -17.550 -0.179 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.791 -19.239 -0.114 1.00 0.00 H new ATOM 0 HD21 ASN A 95 6.719 -20.028 2.776 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.880 -20.678 1.363 1.00 0.00 H new ATOM 1450 N LEU A 96 6.012 -17.737 -3.264 1.00 0.00 N ATOM 1451 CA LEU A 96 5.345 -17.562 -4.554 1.00 0.00 C ATOM 1452 C LEU A 96 3.833 -17.675 -4.397 1.00 0.00 C ATOM 1453 O LEU A 96 3.137 -18.210 -5.260 1.00 0.00 O ATOM 1454 CB LEU A 96 5.860 -18.578 -5.582 1.00 0.00 C ATOM 1455 CG LEU A 96 6.984 -18.070 -6.491 1.00 0.00 C ATOM 1456 CD1 LEU A 96 6.568 -16.783 -7.185 1.00 0.00 C ATOM 1457 CD2 LEU A 96 8.266 -17.861 -5.697 1.00 0.00 C ATOM 0 H LEU A 96 6.599 -16.950 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 96 5.579 -16.563 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.215 -19.461 -5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.025 -18.895 -6.206 1.00 0.00 H new ATOM 0 HG LEU A 96 7.175 -18.825 -7.253 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.379 -16.437 -7.826 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.680 -16.966 -7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.347 -16.021 -6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.051 -17.500 -6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.091 -17.127 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.575 -18.806 -5.250 1.00 0.00 H new ATOM 1469 N GLN A 97 3.337 -17.161 -3.282 1.00 0.00 N ATOM 1470 CA GLN A 97 1.916 -17.188 -2.984 1.00 0.00 C ATOM 1471 C GLN A 97 1.481 -15.818 -2.489 1.00 0.00 C ATOM 1472 O GLN A 97 2.315 -15.041 -2.023 1.00 0.00 O ATOM 1473 CB GLN A 97 1.603 -18.256 -1.928 1.00 0.00 C ATOM 1474 CG GLN A 97 2.141 -17.925 -0.545 1.00 0.00 C ATOM 1475 CD GLN A 97 1.536 -18.784 0.548 1.00 0.00 C ATOM 1476 OE1 GLN A 97 1.372 -18.333 1.682 1.00 0.00 O ATOM 1477 NE2 GLN A 97 1.201 -20.022 0.221 1.00 0.00 N ATOM 0 H GLN A 97 3.906 -16.716 -2.562 1.00 0.00 H new ATOM 0 HA GLN A 97 1.368 -17.439 -3.892 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.523 -18.387 -1.866 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.022 -19.209 -2.252 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.223 -18.053 -0.542 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.943 -16.876 -0.326 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.353 -20.357 -0.730 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.790 -20.641 0.920 1.00 0.00 H new ATOM 1486 N PRO A 98 0.185 -15.496 -2.600 1.00 0.00 N ATOM 1487 CA PRO A 98 -0.355 -14.209 -2.154 1.00 0.00 C ATOM 1488 C PRO A 98 -0.068 -13.949 -0.680 1.00 0.00 C ATOM 1489 O PRO A 98 -0.229 -14.835 0.159 1.00 0.00 O ATOM 1490 CB PRO A 98 -1.867 -14.340 -2.387 1.00 0.00 C ATOM 1491 CG PRO A 98 -2.117 -15.797 -2.574 1.00 0.00 C ATOM 1492 CD PRO A 98 -0.861 -16.356 -3.171 1.00 0.00 C ATOM 0 HA PRO A 98 0.095 -13.375 -2.692 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -2.430 -13.951 -1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -2.179 -13.773 -3.264 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.346 -16.279 -1.624 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -2.970 -15.966 -3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.716 -17.402 -2.901 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.875 -16.307 -4.260 1.00 0.00 H new ATOM 1500 N GLN A 99 0.377 -12.746 -0.369 1.00 0.00 N ATOM 1501 CA GLN A 99 0.674 -12.385 1.007 1.00 0.00 C ATOM 1502 C GLN A 99 -0.316 -11.341 1.501 1.00 0.00 C ATOM 1503 O GLN A 99 -1.034 -11.566 2.475 1.00 0.00 O ATOM 1504 CB GLN A 99 2.108 -11.866 1.133 1.00 0.00 C ATOM 1505 CG GLN A 99 2.612 -11.829 2.566 1.00 0.00 C ATOM 1506 CD GLN A 99 4.103 -11.582 2.653 1.00 0.00 C ATOM 1507 OE1 GLN A 99 4.903 -12.516 2.606 1.00 0.00 O ATOM 1508 NE2 GLN A 99 4.489 -10.327 2.791 1.00 0.00 N ATOM 0 H GLN A 99 0.541 -12.003 -1.048 1.00 0.00 H new ATOM 0 HA GLN A 99 0.580 -13.277 1.627 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.769 -12.498 0.539 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.162 -10.863 0.711 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.085 -11.046 3.112 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.375 -12.774 3.055 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.795 -9.581 2.826 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.482 -10.104 2.863 1.00 0.00 H new ATOM 1517 N CYS A 100 -0.358 -10.210 0.813 1.00 0.00 N ATOM 1518 CA CYS A 100 -1.261 -9.128 1.170 1.00 0.00 C ATOM 1519 C CYS A 100 -1.875 -8.522 -0.087 1.00 0.00 C ATOM 1520 O CYS A 100 -1.403 -8.761 -1.200 1.00 0.00 O ATOM 1521 CB CYS A 100 -0.518 -8.049 1.964 1.00 0.00 C ATOM 1522 SG CYS A 100 0.313 -8.655 3.453 1.00 0.00 S ATOM 0 H CYS A 100 0.227 -10.018 -0.000 1.00 0.00 H new ATOM 0 HA CYS A 100 -2.057 -9.533 1.795 1.00 0.00 H new ATOM 0 HB2 CYS A 100 0.222 -7.582 1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -1.227 -7.272 2.249 1.00 0.00 H new ATOM 0 HG CYS A 100 1.496 -8.122 3.537 1.00 0.00 H new ATOM 1528 N ILE A 101 -2.929 -7.747 0.090 1.00 0.00 N ATOM 1529 CA ILE A 101 -3.606 -7.111 -1.026 1.00 0.00 C ATOM 1530 C ILE A 101 -3.481 -5.594 -0.940 1.00 0.00 C ATOM 1531 O ILE A 101 -3.866 -4.984 0.058 1.00 0.00 O ATOM 1532 CB ILE A 101 -5.103 -7.489 -1.067 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -5.290 -8.990 -0.817 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -5.708 -7.093 -2.405 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -6.734 -9.396 -0.599 1.00 0.00 C ATOM 0 H ILE A 101 -3.337 -7.542 1.002 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.126 -7.467 -1.937 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.619 -6.945 -0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.891 -9.543 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.705 -9.280 0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.763 -7.365 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.608 -6.017 -2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.187 -7.614 -3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.788 -10.471 -0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.133 -8.871 0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.321 -9.138 -1.480 1.00 0.00 H new ATOM 1547 N MET A 102 -2.924 -4.993 -1.979 1.00 0.00 N ATOM 1548 CA MET A 102 -2.765 -3.548 -2.032 1.00 0.00 C ATOM 1549 C MET A 102 -3.974 -2.937 -2.722 1.00 0.00 C ATOM 1550 O MET A 102 -4.086 -2.980 -3.947 1.00 0.00 O ATOM 1551 CB MET A 102 -1.484 -3.172 -2.782 1.00 0.00 C ATOM 1552 CG MET A 102 -0.215 -3.673 -2.114 1.00 0.00 C ATOM 1553 SD MET A 102 1.242 -3.493 -3.161 1.00 0.00 S ATOM 1554 CE MET A 102 0.860 -4.652 -4.473 1.00 0.00 C ATOM 0 H MET A 102 -2.573 -5.485 -2.800 1.00 0.00 H new ATOM 0 HA MET A 102 -2.689 -3.161 -1.016 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.535 -3.575 -3.794 1.00 0.00 H new ATOM 0 HB3 MET A 102 -1.432 -2.087 -2.873 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.059 -3.126 -1.184 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.339 -4.723 -1.849 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.771 -5.166 -4.781 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.135 -5.383 -4.114 1.00 0.00 H new ATOM 0 HE3 MET A 102 0.441 -4.114 -5.323 1.00 0.00 H new ATOM 1564 N CYS A 103 -4.889 -2.397 -1.935 1.00 0.00 N ATOM 1565 CA CYS A 103 -6.097 -1.804 -2.481 1.00 0.00 C ATOM 1566 C CYS A 103 -6.054 -0.282 -2.427 1.00 0.00 C ATOM 1567 O CYS A 103 -5.898 0.312 -1.358 1.00 0.00 O ATOM 1568 CB CYS A 103 -7.324 -2.312 -1.722 1.00 0.00 C ATOM 1569 SG CYS A 103 -7.402 -4.113 -1.567 1.00 0.00 S ATOM 0 H CYS A 103 -4.818 -2.357 -0.918 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.164 -2.102 -3.527 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.329 -1.872 -0.725 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.223 -1.962 -2.230 1.00 0.00 H new ATOM 0 HG CYS A 103 -7.579 -4.434 -0.320 1.00 0.00 H new ATOM 1575 N VAL A 104 -6.176 0.341 -3.587 1.00 0.00 N ATOM 1576 CA VAL A 104 -6.189 1.790 -3.675 1.00 0.00 C ATOM 1577 C VAL A 104 -7.626 2.257 -3.853 1.00 0.00 C ATOM 1578 O VAL A 104 -8.301 1.855 -4.804 1.00 0.00 O ATOM 1579 CB VAL A 104 -5.325 2.314 -4.841 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -5.235 3.833 -4.801 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -3.936 1.691 -4.804 1.00 0.00 C ATOM 0 H VAL A 104 -6.268 -0.137 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.763 2.189 -2.754 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.803 2.025 -5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.622 4.183 -5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.235 4.259 -4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.784 4.146 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.343 2.074 -5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.448 1.945 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.021 0.608 -4.888 1.00 0.00 H new ATOM 1591 N ASN A 105 -8.098 3.072 -2.925 1.00 0.00 N ATOM 1592 CA ASN A 105 -9.464 3.570 -2.974 1.00 0.00 C ATOM 1593 C ASN A 105 -9.542 4.906 -3.700 1.00 0.00 C ATOM 1594 O ASN A 105 -8.758 5.816 -3.430 1.00 0.00 O ATOM 1595 CB ASN A 105 -10.023 3.709 -1.559 1.00 0.00 C ATOM 1596 CG ASN A 105 -11.479 4.128 -1.545 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -11.794 5.314 -1.587 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -12.378 3.156 -1.478 1.00 0.00 N ATOM 0 H ASN A 105 -7.556 3.404 -2.127 1.00 0.00 H new ATOM 0 HA ASN A 105 -10.064 2.850 -3.530 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.917 2.759 -1.036 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.433 4.442 -1.010 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -13.373 3.382 -1.460 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -12.075 2.183 -1.445 1.00 0.00 H new ATOM 1605 N TYR A 106 -10.497 5.010 -4.615 1.00 0.00 N ATOM 1606 CA TYR A 106 -10.709 6.219 -5.397 1.00 0.00 C ATOM 1607 C TYR A 106 -12.105 6.773 -5.141 1.00 0.00 C ATOM 1608 O TYR A 106 -13.100 6.131 -5.477 1.00 0.00 O ATOM 1609 CB TYR A 106 -10.557 5.933 -6.897 1.00 0.00 C ATOM 1610 CG TYR A 106 -9.204 5.402 -7.307 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -8.174 6.265 -7.656 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -8.962 4.035 -7.358 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -6.940 5.781 -8.042 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -7.730 3.543 -7.741 1.00 0.00 C ATOM 1615 CZ TYR A 106 -6.723 4.420 -8.083 1.00 0.00 C ATOM 1616 OH TYR A 106 -5.494 3.934 -8.464 1.00 0.00 O ATOM 0 H TYR A 106 -11.147 4.256 -4.836 1.00 0.00 H new ATOM 0 HA TYR A 106 -9.959 6.949 -5.093 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -11.319 5.213 -7.194 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -10.754 6.852 -7.449 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.341 7.332 -7.625 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.750 3.346 -7.094 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -6.149 6.465 -8.311 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -7.556 2.478 -7.772 1.00 0.00 H new ATOM 0 HH TYR A 106 -4.868 4.680 -8.578 1.00 0.00 H new ATOM 1626 N VAL A 107 -12.185 7.948 -4.540 1.00 0.00 N ATOM 1627 CA VAL A 107 -13.473 8.572 -4.269 1.00 0.00 C ATOM 1628 C VAL A 107 -13.940 9.352 -5.491 1.00 0.00 C ATOM 1629 O VAL A 107 -13.238 10.241 -5.972 1.00 0.00 O ATOM 1630 CB VAL A 107 -13.406 9.515 -3.051 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -14.768 10.135 -2.764 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -12.885 8.770 -1.832 1.00 0.00 C ATOM 0 H VAL A 107 -11.378 8.489 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 107 -14.183 7.777 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 107 -12.713 10.324 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -14.692 10.796 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -15.097 10.708 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -15.490 9.346 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.844 9.449 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -13.552 7.939 -1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.886 8.387 -2.039 1.00 0.00 H new ATOM 1642 N LEU A 108 -15.110 9.004 -6.002 1.00 0.00 N ATOM 1643 CA LEU A 108 -15.652 9.678 -7.174 1.00 0.00 C ATOM 1644 C LEU A 108 -16.968 10.375 -6.860 1.00 0.00 C ATOM 1645 O LEU A 108 -17.302 11.389 -7.473 1.00 0.00 O ATOM 1646 CB LEU A 108 -15.855 8.684 -8.319 1.00 0.00 C ATOM 1647 CG LEU A 108 -14.570 8.167 -8.967 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -14.896 7.181 -10.078 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -13.736 9.328 -9.499 1.00 0.00 C ATOM 0 H LEU A 108 -15.701 8.262 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 108 -14.929 10.435 -7.478 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -16.422 7.832 -7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -16.465 9.159 -9.087 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.984 7.646 -8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.971 6.822 -10.529 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -15.449 6.337 -9.665 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -15.502 7.676 -10.837 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.825 8.942 -9.957 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.311 9.878 -10.244 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -13.475 9.995 -8.677 1.00 0.00 H new ATOM 1661 N SER A 109 -17.717 9.834 -5.910 1.00 0.00 N ATOM 1662 CA SER A 109 -18.995 10.417 -5.537 1.00 0.00 C ATOM 1663 C SER A 109 -19.146 10.458 -4.020 1.00 0.00 C ATOM 1664 O SER A 109 -18.598 9.614 -3.309 1.00 0.00 O ATOM 1665 CB SER A 109 -20.140 9.620 -6.167 1.00 0.00 C ATOM 1666 OG SER A 109 -19.815 9.216 -7.491 1.00 0.00 O ATOM 0 H SER A 109 -17.463 8.996 -5.386 1.00 0.00 H new ATOM 0 HA SER A 109 -19.032 11.440 -5.910 1.00 0.00 H new ATOM 0 HB2 SER A 109 -20.354 8.742 -5.558 1.00 0.00 H new ATOM 0 HB3 SER A 109 -21.045 10.227 -6.181 1.00 0.00 H new ATOM 0 HG SER A 109 -19.541 8.275 -7.488 1.00 0.00 H new ATOM 1672 N GLU A 110 -19.886 11.448 -3.535 1.00 0.00 N ATOM 1673 CA GLU A 110 -20.118 11.611 -2.104 1.00 0.00 C ATOM 1674 C GLU A 110 -21.162 10.616 -1.599 1.00 0.00 C ATOM 1675 O GLU A 110 -21.561 9.693 -2.317 1.00 0.00 O ATOM 1676 CB GLU A 110 -20.588 13.039 -1.804 1.00 0.00 C ATOM 1677 CG GLU A 110 -19.686 14.114 -2.382 1.00 0.00 C ATOM 1678 CD GLU A 110 -18.284 14.075 -1.808 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -18.138 13.810 -0.595 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -17.324 14.319 -2.567 1.00 0.00 O ATOM 0 H GLU A 110 -20.338 12.154 -4.115 1.00 0.00 H new ATOM 0 HA GLU A 110 -19.177 11.420 -1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -21.595 13.171 -2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -20.650 13.172 -0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -19.634 13.995 -3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -20.125 15.093 -2.190 1.00 0.00 H new ATOM 1687 N ILE A 111 -21.595 10.808 -0.356 1.00 0.00 N ATOM 1688 CA ILE A 111 -22.598 9.945 0.253 1.00 0.00 C ATOM 1689 C ILE A 111 -23.928 10.078 -0.478 1.00 0.00 C ATOM 1690 O ILE A 111 -24.319 11.177 -0.877 1.00 0.00 O ATOM 1691 CB ILE A 111 -22.806 10.268 1.750 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -22.887 11.783 1.969 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -21.688 9.658 2.584 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -23.411 12.174 3.333 1.00 0.00 C ATOM 0 H ILE A 111 -21.264 11.558 0.250 1.00 0.00 H new ATOM 0 HA ILE A 111 -22.231 8.922 0.172 1.00 0.00 H new ATOM 0 HB ILE A 111 -23.751 9.830 2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -21.895 12.214 1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -23.531 12.218 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -21.848 9.894 3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -21.684 8.576 2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -20.730 10.066 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -23.440 13.261 3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -24.416 11.774 3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -22.755 11.770 4.104 1.00 0.00 H new ATOM 1706 N GLU A 112 -24.607 8.960 -0.666 1.00 0.00 N ATOM 1707 CA GLU A 112 -25.886 8.949 -1.356 1.00 0.00 C ATOM 1708 C GLU A 112 -27.018 9.255 -0.384 1.00 0.00 C ATOM 1709 O GLU A 112 -27.081 8.607 0.682 1.00 0.00 O ATOM 1710 CB GLU A 112 -26.114 7.594 -2.023 1.00 0.00 C ATOM 1711 CG GLU A 112 -27.121 7.640 -3.158 1.00 0.00 C ATOM 1712 CD GLU A 112 -27.385 6.275 -3.747 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -26.413 5.563 -4.057 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -28.568 5.903 -3.901 1.00 0.00 O ATOM 1715 OXT GLU A 112 -27.839 10.151 -0.681 1.00 0.00 O ATOM 0 H GLU A 112 -24.292 8.043 -0.349 1.00 0.00 H new ATOM 0 HA GLU A 112 -25.872 9.721 -2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -25.164 7.222 -2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -26.456 6.881 -1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -28.057 8.063 -2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -26.754 8.305 -3.939 1.00 0.00 H new TER 1722 GLU A 112 ATOM 1723 N CYS B 7 5.200 -10.775 16.666 1.00 1.33 N ATOM 1724 CA CYS B 7 5.470 -11.356 15.333 1.00 1.38 C ATOM 1725 C CYS B 7 4.957 -10.433 14.233 1.00 1.15 C ATOM 1726 O CYS B 7 3.767 -10.111 14.179 1.00 1.28 O ATOM 1727 CB CYS B 7 4.805 -12.729 15.211 1.00 1.79 C ATOM 1728 SG CYS B 7 5.232 -13.879 16.541 1.00 2.58 S ATOM 0 HA CYS B 7 6.548 -11.470 15.220 1.00 1.38 H new ATOM 0 HB2 CYS B 7 3.723 -12.596 15.194 1.00 1.79 H new ATOM 0 HB3 CYS B 7 5.087 -13.174 14.257 1.00 1.79 H new ATOM 0 HG CYS B 7 4.619 -15.010 16.350 1.00 2.58 H new ATOM 1736 N GLN B 8 5.858 -10.005 13.360 1.00 0.90 N ATOM 1737 CA GLN B 8 5.505 -9.117 12.263 1.00 0.76 C ATOM 1738 C GLN B 8 6.069 -9.656 10.956 1.00 0.65 C ATOM 1739 O GLN B 8 7.165 -10.217 10.939 1.00 0.64 O ATOM 1740 CB GLN B 8 6.044 -7.705 12.520 1.00 0.71 C ATOM 1741 CG GLN B 8 5.322 -6.960 13.632 1.00 0.89 C ATOM 1742 CD GLN B 8 3.909 -6.575 13.250 1.00 1.17 C ATOM 1743 OE1 GLN B 8 3.675 -5.507 12.691 1.00 1.79 O ATOM 1744 NE2 GLN B 8 2.956 -7.437 13.549 1.00 1.90 N ATOM 0 H GLN B 8 6.845 -10.261 13.392 1.00 0.90 H new ATOM 0 HA GLN B 8 4.418 -9.068 12.192 1.00 0.76 H new ATOM 0 HB2 GLN B 8 7.103 -7.771 12.769 1.00 0.71 H new ATOM 0 HB3 GLN B 8 5.969 -7.125 11.600 1.00 0.71 H new ATOM 0 HG2 GLN B 8 5.296 -7.584 14.525 1.00 0.89 H new ATOM 0 HG3 GLN B 8 5.884 -6.061 13.887 1.00 0.89 H new ATOM 0 HE21 GLN B 8 3.189 -8.314 14.014 1.00 1.90 H new ATOM 0 HE22 GLN B 8 1.986 -7.226 13.315 1.00 1.90 H new ATOM 1753 N PRO B 9 5.329 -9.507 9.850 1.00 0.64 N ATOM 1754 CA PRO B 9 5.770 -9.980 8.539 1.00 0.56 C ATOM 1755 C PRO B 9 6.932 -9.150 8.005 1.00 0.44 C ATOM 1756 O PRO B 9 7.078 -7.974 8.348 1.00 0.38 O ATOM 1757 CB PRO B 9 4.535 -9.810 7.641 1.00 0.61 C ATOM 1758 CG PRO B 9 3.400 -9.516 8.566 1.00 0.75 C ATOM 1759 CD PRO B 9 4.007 -8.872 9.778 1.00 0.77 C ATOM 0 HA PRO B 9 6.131 -11.008 8.579 1.00 0.56 H new ATOM 0 HB2 PRO B 9 4.679 -8.999 6.927 1.00 0.61 H new ATOM 0 HB3 PRO B 9 4.344 -10.714 7.062 1.00 0.61 H new ATOM 0 HG2 PRO B 9 2.675 -8.853 8.094 1.00 0.75 H new ATOM 0 HG3 PRO B 9 2.869 -10.429 8.835 1.00 0.75 H new ATOM 0 HD2 PRO B 9 4.082 -7.790 9.667 1.00 0.77 H new ATOM 0 HD3 PRO B 9 3.417 -9.060 10.675 1.00 0.77 H new ATOM 1767 N THR B 10 7.750 -9.757 7.159 1.00 0.43 N ATOM 1768 CA THR B 10 8.894 -9.073 6.581 1.00 0.37 C ATOM 1769 C THR B 10 8.476 -8.300 5.335 1.00 0.31 C ATOM 1770 O THR B 10 9.083 -8.421 4.267 1.00 0.39 O ATOM 1771 CB THR B 10 10.016 -10.070 6.239 1.00 0.46 C ATOM 1772 OG1 THR B 10 9.537 -11.418 6.372 1.00 0.88 O ATOM 1773 CG2 THR B 10 11.212 -9.866 7.154 1.00 0.62 C ATOM 0 H THR B 10 7.641 -10.725 6.857 1.00 0.43 H new ATOM 0 HA THR B 10 9.277 -8.369 7.320 1.00 0.37 H new ATOM 0 HB THR B 10 10.325 -9.894 5.209 1.00 0.46 H new ATOM 0 HG1 THR B 10 10.257 -12.044 6.151 1.00 0.88 H new ATOM 0 HG21 THR B 10 11.994 -10.580 6.896 1.00 0.62 H new ATOM 0 HG22 THR B 10 11.593 -8.852 7.034 1.00 0.62 H new ATOM 0 HG23 THR B 10 10.908 -10.019 8.190 1.00 0.62 H new ATOM 1781 N GLU B 11 7.426 -7.506 5.494 1.00 0.30 N ATOM 1782 CA GLU B 11 6.881 -6.697 4.420 1.00 0.31 C ATOM 1783 C GLU B 11 6.234 -5.446 5.005 1.00 0.27 C ATOM 1784 O GLU B 11 5.263 -5.532 5.762 1.00 0.31 O ATOM 1785 CB GLU B 11 5.859 -7.514 3.628 1.00 0.45 C ATOM 1786 CG GLU B 11 5.181 -6.751 2.504 1.00 1.13 C ATOM 1787 CD GLU B 11 3.768 -7.239 2.254 1.00 1.36 C ATOM 1788 OE1 GLU B 11 3.126 -7.729 3.206 1.00 1.83 O ATOM 1789 OE2 GLU B 11 3.284 -7.120 1.115 1.00 1.65 O ATOM 0 H GLU B 11 6.928 -7.407 6.378 1.00 0.30 H new ATOM 0 HA GLU B 11 7.681 -6.394 3.744 1.00 0.31 H new ATOM 0 HB2 GLU B 11 6.357 -8.388 3.208 1.00 0.45 H new ATOM 0 HB3 GLU B 11 5.095 -7.881 4.314 1.00 0.45 H new ATOM 0 HG2 GLU B 11 5.159 -5.689 2.749 1.00 1.13 H new ATOM 0 HG3 GLU B 11 5.767 -6.855 1.591 1.00 1.13 H new ATOM 1796 N PHE B 12 6.777 -4.288 4.670 1.00 0.30 N ATOM 1797 CA PHE B 12 6.247 -3.033 5.179 1.00 0.30 C ATOM 1798 C PHE B 12 6.177 -1.988 4.073 1.00 0.27 C ATOM 1799 O PHE B 12 6.985 -2.001 3.141 1.00 0.33 O ATOM 1800 CB PHE B 12 7.102 -2.515 6.345 1.00 0.35 C ATOM 1801 CG PHE B 12 8.481 -2.051 5.950 1.00 0.34 C ATOM 1802 CD1 PHE B 12 9.483 -2.966 5.657 1.00 0.39 C ATOM 1803 CD2 PHE B 12 8.775 -0.699 5.876 1.00 0.42 C ATOM 1804 CE1 PHE B 12 10.749 -2.538 5.296 1.00 0.42 C ATOM 1805 CE2 PHE B 12 10.037 -0.268 5.517 1.00 0.45 C ATOM 1806 CZ PHE B 12 11.026 -1.188 5.227 1.00 0.40 C ATOM 0 H PHE B 12 7.581 -4.190 4.050 1.00 0.30 H new ATOM 0 HA PHE B 12 5.237 -3.218 5.545 1.00 0.30 H new ATOM 0 HB2 PHE B 12 6.578 -1.688 6.825 1.00 0.35 H new ATOM 0 HB3 PHE B 12 7.198 -3.306 7.089 1.00 0.35 H new ATOM 0 HD1 PHE B 12 9.272 -4.024 5.711 1.00 0.39 H new ATOM 0 HD2 PHE B 12 8.008 0.027 6.102 1.00 0.42 H new ATOM 0 HE1 PHE B 12 11.519 -3.260 5.069 1.00 0.42 H new ATOM 0 HE2 PHE B 12 10.251 0.789 5.463 1.00 0.45 H new ATOM 0 HZ PHE B 12 12.013 -0.851 4.947 1.00 0.40 H new ATOM 1816 N ILE B 13 5.211 -1.089 4.183 1.00 0.27 N ATOM 1817 CA ILE B 13 5.033 -0.033 3.196 1.00 0.27 C ATOM 1818 C ILE B 13 5.690 1.260 3.661 1.00 0.29 C ATOM 1819 O ILE B 13 5.709 1.574 4.849 1.00 0.35 O ATOM 1820 CB ILE B 13 3.540 0.241 2.885 1.00 0.36 C ATOM 1821 CG1 ILE B 13 2.740 0.508 4.172 1.00 0.98 C ATOM 1822 CG2 ILE B 13 2.944 -0.919 2.104 1.00 0.85 C ATOM 1823 CD1 ILE B 13 2.190 -0.738 4.845 1.00 1.40 C ATOM 0 H ILE B 13 4.536 -1.069 4.948 1.00 0.27 H new ATOM 0 HA ILE B 13 5.512 -0.384 2.282 1.00 0.27 H new ATOM 0 HB ILE B 13 3.480 1.140 2.271 1.00 0.36 H new ATOM 0 HG12 ILE B 13 3.381 1.034 4.880 1.00 0.98 H new ATOM 0 HG13 ILE B 13 1.910 1.174 3.937 1.00 0.98 H new ATOM 0 HG21 ILE B 13 1.895 -0.714 1.892 1.00 0.85 H new ATOM 0 HG22 ILE B 13 3.486 -1.043 1.167 1.00 0.85 H new ATOM 0 HG23 ILE B 13 3.023 -1.833 2.693 1.00 0.85 H new ATOM 0 HD11 ILE B 13 1.641 -0.454 5.743 1.00 1.40 H new ATOM 0 HD12 ILE B 13 1.520 -1.257 4.159 1.00 1.40 H new ATOM 0 HD13 ILE B 13 3.014 -1.398 5.117 1.00 1.40 H new ATOM 1835 N SER B 14 6.251 1.998 2.726 1.00 0.34 N ATOM 1836 CA SER B 14 6.898 3.254 3.045 1.00 0.42 C ATOM 1837 C SER B 14 6.260 4.399 2.269 1.00 0.35 C ATOM 1838 O SER B 14 6.330 4.437 1.040 1.00 0.40 O ATOM 1839 CB SER B 14 8.387 3.162 2.721 1.00 0.54 C ATOM 1840 OG SER B 14 8.906 1.900 3.100 1.00 1.47 O ATOM 0 H SER B 14 6.272 1.749 1.737 1.00 0.34 H new ATOM 0 HA SER B 14 6.774 3.453 4.110 1.00 0.42 H new ATOM 0 HB2 SER B 14 8.542 3.319 1.653 1.00 0.54 H new ATOM 0 HB3 SER B 14 8.927 3.953 3.241 1.00 0.54 H new ATOM 0 HG SER B 14 9.046 1.882 4.070 1.00 1.47 H new ATOM 1846 N ARG B 15 5.627 5.318 2.986 1.00 0.31 N ATOM 1847 CA ARG B 15 4.988 6.466 2.360 1.00 0.31 C ATOM 1848 C ARG B 15 6.023 7.566 2.162 1.00 0.27 C ATOM 1849 O ARG B 15 6.515 8.149 3.130 1.00 0.29 O ATOM 1850 CB ARG B 15 3.819 6.971 3.216 1.00 0.42 C ATOM 1851 CG ARG B 15 2.789 5.896 3.545 1.00 0.54 C ATOM 1852 CD ARG B 15 1.470 6.503 4.000 1.00 0.90 C ATOM 1853 NE ARG B 15 1.129 6.124 5.373 1.00 1.40 N ATOM 1854 CZ ARG B 15 0.274 6.805 6.139 1.00 1.85 C ATOM 1855 NH1 ARG B 15 -0.344 7.875 5.662 1.00 2.03 N ATOM 1856 NH2 ARG B 15 0.023 6.407 7.379 1.00 2.69 N ATOM 0 H ARG B 15 5.543 5.290 4.002 1.00 0.31 H new ATOM 0 HA ARG B 15 4.585 6.170 1.391 1.00 0.31 H new ATOM 0 HB2 ARG B 15 4.212 7.381 4.146 1.00 0.42 H new ATOM 0 HB3 ARG B 15 3.323 7.788 2.692 1.00 0.42 H new ATOM 0 HG2 ARG B 15 2.619 5.273 2.667 1.00 0.54 H new ATOM 0 HG3 ARG B 15 3.179 5.245 4.327 1.00 0.54 H new ATOM 0 HD2 ARG B 15 1.529 7.589 3.929 1.00 0.90 H new ATOM 0 HD3 ARG B 15 0.674 6.182 3.328 1.00 0.90 H new ATOM 0 HE ARG B 15 1.570 5.292 5.766 1.00 1.40 H new ATOM 0 HH11 ARG B 15 -0.167 8.182 4.705 1.00 2.03 H new ATOM 0 HH12 ARG B 15 -0.997 8.392 6.251 1.00 2.03 H new ATOM 0 HH21 ARG B 15 0.484 5.577 7.751 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -0.631 6.931 7.960 1.00 2.69 H new ATOM 1870 N HIS B 16 6.370 7.833 0.910 1.00 0.28 N ATOM 1871 CA HIS B 16 7.376 8.844 0.604 1.00 0.28 C ATOM 1872 C HIS B 16 7.103 9.516 -0.739 1.00 0.32 C ATOM 1873 O HIS B 16 6.236 9.083 -1.496 1.00 0.40 O ATOM 1874 CB HIS B 16 8.772 8.209 0.594 1.00 0.32 C ATOM 1875 CG HIS B 16 8.968 7.160 -0.458 1.00 0.36 C ATOM 1876 ND1 HIS B 16 9.269 7.451 -1.771 1.00 0.54 N ATOM 1877 CD2 HIS B 16 8.914 5.813 -0.380 1.00 0.75 C ATOM 1878 CE1 HIS B 16 9.392 6.331 -2.449 1.00 0.46 C ATOM 1879 NE2 HIS B 16 9.181 5.320 -1.631 1.00 0.61 N ATOM 0 H HIS B 16 5.973 7.368 0.094 1.00 0.28 H new ATOM 0 HA HIS B 16 7.328 9.608 1.380 1.00 0.28 H new ATOM 0 HB2 HIS B 16 9.514 8.994 0.449 1.00 0.32 H new ATOM 0 HB3 HIS B 16 8.963 7.766 1.571 1.00 0.32 H new ATOM 0 HD1 HIS B 16 9.379 8.389 -2.157 1.00 0.54 H new ATOM 0 HD2 HIS B 16 8.700 5.231 0.505 1.00 0.75 H new ATOM 0 HE1 HIS B 16 9.627 6.253 -3.500 1.00 0.46 H new ATOM 1888 N ASN B 17 7.863 10.562 -1.035 1.00 0.31 N ATOM 1889 CA ASN B 17 7.708 11.290 -2.291 1.00 0.39 C ATOM 1890 C ASN B 17 8.576 10.679 -3.391 1.00 0.35 C ATOM 1891 O ASN B 17 9.302 9.709 -3.152 1.00 0.32 O ATOM 1892 CB ASN B 17 8.045 12.777 -2.109 1.00 0.49 C ATOM 1893 CG ASN B 17 9.448 13.029 -1.580 1.00 0.95 C ATOM 1894 OD1 ASN B 17 10.393 12.299 -1.884 1.00 2.04 O ATOM 1895 ND2 ASN B 17 9.589 14.068 -0.778 1.00 0.59 N ATOM 0 H ASN B 17 8.593 10.927 -0.424 1.00 0.31 H new ATOM 0 HA ASN B 17 6.664 11.208 -2.594 1.00 0.39 H new ATOM 0 HB2 ASN B 17 7.931 13.285 -3.066 1.00 0.49 H new ATOM 0 HB3 ASN B 17 7.323 13.222 -1.424 1.00 0.49 H new ATOM 0 HD21 ASN B 17 10.505 14.290 -0.387 1.00 0.59 H new ATOM 0 HD22 ASN B 17 8.782 14.649 -0.550 1.00 0.59 H new ATOM 1902 N ILE B 18 8.502 11.259 -4.587 1.00 0.40 N ATOM 1903 CA ILE B 18 9.265 10.782 -5.745 1.00 0.45 C ATOM 1904 C ILE B 18 10.776 10.781 -5.497 1.00 0.44 C ATOM 1905 O ILE B 18 11.490 9.907 -5.982 1.00 0.52 O ATOM 1906 CB ILE B 18 8.973 11.636 -6.999 1.00 0.53 C ATOM 1907 CG1 ILE B 18 9.152 13.126 -6.685 1.00 0.59 C ATOM 1908 CG2 ILE B 18 7.568 11.361 -7.518 1.00 0.57 C ATOM 1909 CD1 ILE B 18 9.232 14.001 -7.915 1.00 0.70 C ATOM 0 H ILE B 18 7.915 12.070 -4.783 1.00 0.40 H new ATOM 0 HA ILE B 18 8.940 9.755 -5.909 1.00 0.45 H new ATOM 0 HB ILE B 18 9.684 11.361 -7.778 1.00 0.53 H new ATOM 0 HG12 ILE B 18 8.320 13.460 -6.066 1.00 0.59 H new ATOM 0 HG13 ILE B 18 10.060 13.258 -6.097 1.00 0.59 H new ATOM 0 HG21 ILE B 18 7.380 11.971 -8.401 1.00 0.57 H new ATOM 0 HG22 ILE B 18 7.477 10.307 -7.779 1.00 0.57 H new ATOM 0 HG23 ILE B 18 6.840 11.608 -6.745 1.00 0.57 H new ATOM 0 HD11 ILE B 18 9.358 15.041 -7.614 1.00 0.70 H new ATOM 0 HD12 ILE B 18 10.081 13.694 -8.525 1.00 0.70 H new ATOM 0 HD13 ILE B 18 8.314 13.900 -8.494 1.00 0.70 H new ATOM 1921 N GLU B 19 11.253 11.753 -4.726 1.00 0.41 N ATOM 1922 CA GLU B 19 12.678 11.874 -4.434 1.00 0.45 C ATOM 1923 C GLU B 19 13.151 10.769 -3.496 1.00 0.41 C ATOM 1924 O GLU B 19 14.347 10.492 -3.394 1.00 0.51 O ATOM 1925 CB GLU B 19 12.972 13.237 -3.812 1.00 0.50 C ATOM 1926 CG GLU B 19 12.436 14.401 -4.629 1.00 0.65 C ATOM 1927 CD GLU B 19 12.677 15.738 -3.966 1.00 1.21 C ATOM 1928 OE1 GLU B 19 13.848 16.056 -3.681 1.00 1.28 O ATOM 1929 OE2 GLU B 19 11.696 16.476 -3.730 1.00 1.92 O ATOM 0 H GLU B 19 10.672 12.470 -4.291 1.00 0.41 H new ATOM 0 HA GLU B 19 13.220 11.777 -5.375 1.00 0.45 H new ATOM 0 HB2 GLU B 19 12.538 13.274 -2.813 1.00 0.50 H new ATOM 0 HB3 GLU B 19 14.050 13.350 -3.696 1.00 0.50 H new ATOM 0 HG2 GLU B 19 12.907 14.397 -5.612 1.00 0.65 H new ATOM 0 HG3 GLU B 19 11.366 14.266 -4.788 1.00 0.65 H new ATOM 1936 N GLY B 20 12.212 10.151 -2.800 1.00 0.33 N ATOM 1937 CA GLY B 20 12.554 9.086 -1.883 1.00 0.32 C ATOM 1938 C GLY B 20 12.500 9.530 -0.438 1.00 0.29 C ATOM 1939 O GLY B 20 12.768 8.736 0.460 1.00 0.34 O ATOM 0 H GLY B 20 11.217 10.368 -2.854 1.00 0.33 H new ATOM 0 HA2 GLY B 20 11.870 8.250 -2.029 1.00 0.32 H new ATOM 0 HA3 GLY B 20 13.556 8.721 -2.111 1.00 0.32 H new ATOM 1943 N ILE B 21 12.162 10.796 -0.217 1.00 0.27 N ATOM 1944 CA ILE B 21 12.066 11.342 1.135 1.00 0.28 C ATOM 1945 C ILE B 21 10.897 10.704 1.871 1.00 0.27 C ATOM 1946 O ILE B 21 9.737 10.917 1.511 1.00 0.31 O ATOM 1947 CB ILE B 21 11.875 12.876 1.127 1.00 0.32 C ATOM 1948 CG1 ILE B 21 13.033 13.564 0.396 1.00 0.37 C ATOM 1949 CG2 ILE B 21 11.748 13.406 2.551 1.00 0.41 C ATOM 1950 CD1 ILE B 21 14.342 13.532 1.155 1.00 0.47 C ATOM 0 H ILE B 21 11.949 11.465 -0.957 1.00 0.27 H new ATOM 0 HA ILE B 21 13.004 11.116 1.642 1.00 0.28 H new ATOM 0 HB ILE B 21 10.953 13.103 0.592 1.00 0.32 H new ATOM 0 HG12 ILE B 21 13.174 13.085 -0.573 1.00 0.37 H new ATOM 0 HG13 ILE B 21 12.762 14.602 0.202 1.00 0.37 H new ATOM 0 HG21 ILE B 21 11.614 14.487 2.526 1.00 0.41 H new ATOM 0 HG22 ILE B 21 10.887 12.945 3.035 1.00 0.41 H new ATOM 0 HG23 ILE B 21 12.652 13.165 3.111 1.00 0.41 H new ATOM 0 HD11 ILE B 21 15.112 14.038 0.573 1.00 0.47 H new ATOM 0 HD12 ILE B 21 14.220 14.037 2.113 1.00 0.47 H new ATOM 0 HD13 ILE B 21 14.638 12.497 1.326 1.00 0.47 H new ATOM 1962 N PHE B 22 11.209 9.908 2.880 1.00 0.25 N ATOM 1963 CA PHE B 22 10.189 9.226 3.661 1.00 0.27 C ATOM 1964 C PHE B 22 9.417 10.198 4.540 1.00 0.28 C ATOM 1965 O PHE B 22 9.994 10.879 5.390 1.00 0.35 O ATOM 1966 CB PHE B 22 10.822 8.140 4.527 1.00 0.31 C ATOM 1967 CG PHE B 22 11.485 7.050 3.736 1.00 0.33 C ATOM 1968 CD1 PHE B 22 10.733 6.032 3.177 1.00 0.36 C ATOM 1969 CD2 PHE B 22 12.859 7.042 3.558 1.00 0.38 C ATOM 1970 CE1 PHE B 22 11.338 5.025 2.453 1.00 0.44 C ATOM 1971 CE2 PHE B 22 13.470 6.037 2.837 1.00 0.45 C ATOM 1972 CZ PHE B 22 12.707 5.026 2.284 1.00 0.46 C ATOM 0 H PHE B 22 12.165 9.717 3.179 1.00 0.25 H new ATOM 0 HA PHE B 22 9.489 8.770 2.961 1.00 0.27 H new ATOM 0 HB2 PHE B 22 11.559 8.597 5.188 1.00 0.31 H new ATOM 0 HB3 PHE B 22 10.053 7.700 5.163 1.00 0.31 H new ATOM 0 HD1 PHE B 22 9.661 6.025 3.309 1.00 0.36 H new ATOM 0 HD2 PHE B 22 13.458 7.831 3.988 1.00 0.38 H new ATOM 0 HE1 PHE B 22 10.740 4.237 2.019 1.00 0.44 H new ATOM 0 HE2 PHE B 22 14.542 6.040 2.705 1.00 0.45 H new ATOM 0 HZ PHE B 22 13.182 4.237 1.720 1.00 0.46 H new ATOM 1982 N THR B 23 8.114 10.265 4.314 1.00 0.27 N ATOM 1983 CA THR B 23 7.246 11.127 5.094 1.00 0.30 C ATOM 1984 C THR B 23 6.672 10.345 6.270 1.00 0.27 C ATOM 1985 O THR B 23 6.494 10.879 7.365 1.00 0.33 O ATOM 1986 CB THR B 23 6.092 11.681 4.239 1.00 0.42 C ATOM 1987 OG1 THR B 23 6.511 11.810 2.872 1.00 1.35 O ATOM 1988 CG2 THR B 23 5.637 13.033 4.764 1.00 1.14 C ATOM 0 H THR B 23 7.634 9.728 3.592 1.00 0.27 H new ATOM 0 HA THR B 23 7.839 11.967 5.456 1.00 0.30 H new ATOM 0 HB THR B 23 5.256 10.984 4.297 1.00 0.42 H new ATOM 0 HG1 THR B 23 5.771 12.161 2.335 1.00 1.35 H new ATOM 0 HG21 THR B 23 4.821 13.407 4.146 1.00 1.14 H new ATOM 0 HG22 THR B 23 5.294 12.927 5.793 1.00 1.14 H new ATOM 0 HG23 THR B 23 6.470 13.736 4.730 1.00 1.14 H new ATOM 1996 N PHE B 24 6.396 9.066 6.032 1.00 0.25 N ATOM 1997 CA PHE B 24 5.856 8.194 7.062 1.00 0.28 C ATOM 1998 C PHE B 24 6.163 6.739 6.730 1.00 0.26 C ATOM 1999 O PHE B 24 5.778 6.234 5.674 1.00 0.27 O ATOM 2000 CB PHE B 24 4.346 8.391 7.209 1.00 0.36 C ATOM 2001 CG PHE B 24 3.844 8.119 8.598 1.00 0.46 C ATOM 2002 CD1 PHE B 24 4.119 9.002 9.631 1.00 0.59 C ATOM 2003 CD2 PHE B 24 3.097 6.985 8.871 1.00 0.51 C ATOM 2004 CE1 PHE B 24 3.660 8.757 10.909 1.00 0.71 C ATOM 2005 CE2 PHE B 24 2.636 6.735 10.149 1.00 0.61 C ATOM 2006 CZ PHE B 24 2.916 7.622 11.169 1.00 0.70 C ATOM 0 H PHE B 24 6.539 8.612 5.130 1.00 0.25 H new ATOM 0 HA PHE B 24 6.329 8.452 8.010 1.00 0.28 H new ATOM 0 HB2 PHE B 24 4.091 9.414 6.932 1.00 0.36 H new ATOM 0 HB3 PHE B 24 3.831 7.733 6.509 1.00 0.36 H new ATOM 0 HD1 PHE B 24 4.699 9.891 9.433 1.00 0.59 H new ATOM 0 HD2 PHE B 24 2.873 6.289 8.076 1.00 0.51 H new ATOM 0 HE1 PHE B 24 3.882 9.452 11.705 1.00 0.71 H new ATOM 0 HE2 PHE B 24 2.057 5.846 10.350 1.00 0.61 H new ATOM 0 HZ PHE B 24 2.554 7.429 12.168 1.00 0.70 H new ATOM 2016 N VAL B 25 6.864 6.071 7.627 1.00 0.26 N ATOM 2017 CA VAL B 25 7.224 4.678 7.427 1.00 0.27 C ATOM 2018 C VAL B 25 6.352 3.779 8.291 1.00 0.26 C ATOM 2019 O VAL B 25 6.011 4.135 9.421 1.00 0.25 O ATOM 2020 CB VAL B 25 8.711 4.422 7.760 1.00 0.34 C ATOM 2021 CG1 VAL B 25 9.142 3.039 7.289 1.00 0.74 C ATOM 2022 CG2 VAL B 25 9.591 5.495 7.137 1.00 0.78 C ATOM 0 H VAL B 25 7.197 6.471 8.504 1.00 0.26 H new ATOM 0 HA VAL B 25 7.062 4.447 6.374 1.00 0.27 H new ATOM 0 HB VAL B 25 8.828 4.465 8.843 1.00 0.34 H new ATOM 0 HG11 VAL B 25 10.192 2.882 7.534 1.00 0.74 H new ATOM 0 HG12 VAL B 25 8.536 2.281 7.785 1.00 0.74 H new ATOM 0 HG13 VAL B 25 9.006 2.963 6.210 1.00 0.74 H new ATOM 0 HG21 VAL B 25 10.634 5.298 7.383 1.00 0.78 H new ATOM 0 HG22 VAL B 25 9.465 5.486 6.054 1.00 0.78 H new ATOM 0 HG23 VAL B 25 9.305 6.472 7.527 1.00 0.78 H new ATOM 2032 N ASP B 26 5.970 2.634 7.742 1.00 0.27 N ATOM 2033 CA ASP B 26 5.151 1.673 8.465 1.00 0.29 C ATOM 2034 C ASP B 26 5.920 1.163 9.675 1.00 0.24 C ATOM 2035 O ASP B 26 7.145 1.025 9.628 1.00 0.22 O ATOM 2036 CB ASP B 26 4.767 0.512 7.543 1.00 0.39 C ATOM 2037 CG ASP B 26 3.846 -0.499 8.197 1.00 0.48 C ATOM 2038 OD1 ASP B 26 3.112 -0.134 9.139 1.00 0.72 O ATOM 2039 OD2 ASP B 26 3.852 -1.671 7.763 1.00 0.78 O ATOM 0 H ASP B 26 6.216 2.348 6.794 1.00 0.27 H new ATOM 0 HA ASP B 26 4.236 2.157 8.805 1.00 0.29 H new ATOM 0 HB2 ASP B 26 4.282 0.911 6.652 1.00 0.39 H new ATOM 0 HB3 ASP B 26 5.674 0.005 7.212 1.00 0.39 H new ATOM 2044 N HIS B 27 5.203 0.878 10.748 1.00 0.26 N ATOM 2045 CA HIS B 27 5.818 0.403 11.986 1.00 0.26 C ATOM 2046 C HIS B 27 6.207 -1.067 11.875 1.00 0.23 C ATOM 2047 O HIS B 27 5.712 -1.913 12.620 1.00 0.26 O ATOM 2048 CB HIS B 27 4.895 0.621 13.200 1.00 0.34 C ATOM 2049 CG HIS B 27 3.427 0.532 12.902 1.00 0.50 C ATOM 2050 ND1 HIS B 27 2.710 -0.644 12.951 1.00 0.70 N ATOM 2051 CD2 HIS B 27 2.537 1.496 12.560 1.00 0.66 C ATOM 2052 CE1 HIS B 27 1.446 -0.400 12.653 1.00 0.86 C ATOM 2053 NE2 HIS B 27 1.315 0.891 12.412 1.00 0.83 N ATOM 0 H HIS B 27 4.188 0.966 10.792 1.00 0.26 H new ATOM 0 HA HIS B 27 6.722 0.991 12.142 1.00 0.26 H new ATOM 0 HB2 HIS B 27 5.141 -0.118 13.963 1.00 0.34 H new ATOM 0 HB3 HIS B 27 5.105 1.602 13.626 1.00 0.34 H new ATOM 0 HD2 HIS B 27 2.751 2.546 12.428 1.00 0.66 H new ATOM 0 HE1 HIS B 27 0.654 -1.133 12.613 1.00 0.86 H new ATOM 0 HE2 HIS B 27 0.447 1.362 12.157 1.00 0.83 H new ATOM 2062 N ARG B 28 7.088 -1.358 10.927 1.00 0.24 N ATOM 2063 CA ARG B 28 7.572 -2.713 10.702 1.00 0.27 C ATOM 2064 C ARG B 28 8.978 -2.695 10.110 1.00 0.24 C ATOM 2065 O ARG B 28 9.495 -3.728 9.683 1.00 0.28 O ATOM 2066 CB ARG B 28 6.628 -3.470 9.768 1.00 0.35 C ATOM 2067 CG ARG B 28 5.803 -4.531 10.472 1.00 0.48 C ATOM 2068 CD ARG B 28 4.547 -4.868 9.688 1.00 0.56 C ATOM 2069 NE ARG B 28 3.697 -3.694 9.489 1.00 0.99 N ATOM 2070 CZ ARG B 28 2.463 -3.566 9.972 1.00 1.26 C ATOM 2071 NH1 ARG B 28 1.914 -4.535 10.694 1.00 1.61 N ATOM 2072 NH2 ARG B 28 1.783 -2.453 9.748 1.00 1.87 N ATOM 0 H ARG B 28 7.486 -0.664 10.294 1.00 0.24 H new ATOM 0 HA ARG B 28 7.604 -3.223 11.665 1.00 0.27 H new ATOM 0 HB2 ARG B 28 5.957 -2.758 9.288 1.00 0.35 H new ATOM 0 HB3 ARG B 28 7.212 -3.941 8.977 1.00 0.35 H new ATOM 0 HG2 ARG B 28 6.403 -5.431 10.605 1.00 0.48 H new ATOM 0 HG3 ARG B 28 5.529 -4.180 11.467 1.00 0.48 H new ATOM 0 HD2 ARG B 28 4.824 -5.284 8.719 1.00 0.56 H new ATOM 0 HD3 ARG B 28 3.985 -5.638 10.216 1.00 0.56 H new ATOM 0 HE ARG B 28 4.076 -2.920 8.943 1.00 0.99 H new ATOM 0 HH11 ARG B 28 2.438 -5.389 10.884 1.00 1.61 H new ATOM 0 HH12 ARG B 28 0.968 -4.426 11.059 1.00 1.61 H new ATOM 0 HH21 ARG B 28 2.205 -1.698 9.207 1.00 1.87 H new ATOM 0 HH22 ARG B 28 0.837 -2.350 10.116 1.00 1.87 H new ATOM 2086 N CYS B 29 9.604 -1.522 10.101 1.00 0.21 N ATOM 2087 CA CYS B 29 10.947 -1.379 9.550 1.00 0.22 C ATOM 2088 C CYS B 29 12.002 -1.791 10.573 1.00 0.22 C ATOM 2089 O CYS B 29 13.108 -2.205 10.214 1.00 0.25 O ATOM 2090 CB CYS B 29 11.185 0.061 9.096 1.00 0.27 C ATOM 2091 SG CYS B 29 10.845 1.295 10.371 1.00 1.34 S ATOM 0 H CYS B 29 9.204 -0.659 10.468 1.00 0.21 H new ATOM 0 HA CYS B 29 11.032 -2.039 8.687 1.00 0.22 H new ATOM 0 HB2 CYS B 29 12.221 0.163 8.772 1.00 0.27 H new ATOM 0 HB3 CYS B 29 10.558 0.267 8.228 1.00 0.27 H new ATOM 0 HG CYS B 29 11.927 1.520 11.056 1.00 1.34 H new ATOM 2097 N VAL B 30 11.645 -1.706 11.849 1.00 0.24 N ATOM 2098 CA VAL B 30 12.555 -2.061 12.931 1.00 0.31 C ATOM 2099 C VAL B 30 12.731 -3.577 13.004 1.00 0.33 C ATOM 2100 O VAL B 30 13.753 -4.075 13.471 1.00 0.38 O ATOM 2101 CB VAL B 30 12.039 -1.526 14.289 1.00 0.39 C ATOM 2102 CG1 VAL B 30 12.991 -1.876 15.421 1.00 1.01 C ATOM 2103 CG2 VAL B 30 11.822 -0.022 14.222 1.00 0.92 C ATOM 0 H VAL B 30 10.726 -1.392 12.161 1.00 0.24 H new ATOM 0 HA VAL B 30 13.520 -1.599 12.722 1.00 0.31 H new ATOM 0 HB VAL B 30 11.084 -2.009 14.495 1.00 0.39 H new ATOM 0 HG11 VAL B 30 12.599 -1.486 16.360 1.00 1.01 H new ATOM 0 HG12 VAL B 30 13.090 -2.959 15.491 1.00 1.01 H new ATOM 0 HG13 VAL B 30 13.968 -1.434 15.224 1.00 1.01 H new ATOM 0 HG21 VAL B 30 11.459 0.337 15.185 1.00 0.92 H new ATOM 0 HG22 VAL B 30 12.764 0.471 13.983 1.00 0.92 H new ATOM 0 HG23 VAL B 30 11.087 0.206 13.450 1.00 0.92 H new ATOM 2113 N ALA B 31 11.737 -4.306 12.516 1.00 0.34 N ATOM 2114 CA ALA B 31 11.780 -5.761 12.535 1.00 0.40 C ATOM 2115 C ALA B 31 12.296 -6.328 11.213 1.00 0.39 C ATOM 2116 O ALA B 31 12.549 -7.529 11.095 1.00 0.45 O ATOM 2117 CB ALA B 31 10.398 -6.313 12.846 1.00 0.46 C ATOM 0 H ALA B 31 10.891 -3.914 12.102 1.00 0.34 H new ATOM 0 HA ALA B 31 12.476 -6.068 13.315 1.00 0.40 H new ATOM 0 HB1 ALA B 31 10.436 -7.402 12.859 1.00 0.46 H new ATOM 0 HB2 ALA B 31 10.072 -5.950 13.820 1.00 0.46 H new ATOM 0 HB3 ALA B 31 9.694 -5.983 12.082 1.00 0.46 H new ATOM 2123 N THR B 32 12.461 -5.467 10.221 1.00 0.36 N ATOM 2124 CA THR B 32 12.935 -5.903 8.918 1.00 0.38 C ATOM 2125 C THR B 32 14.408 -5.559 8.715 1.00 0.42 C ATOM 2126 O THR B 32 15.270 -6.441 8.732 1.00 0.48 O ATOM 2127 CB THR B 32 12.103 -5.274 7.790 1.00 0.37 C ATOM 2128 OG1 THR B 32 11.713 -3.950 8.163 1.00 0.36 O ATOM 2129 CG2 THR B 32 10.864 -6.105 7.501 1.00 0.44 C ATOM 0 H THR B 32 12.275 -4.467 10.293 1.00 0.36 H new ATOM 0 HA THR B 32 12.822 -6.987 8.884 1.00 0.38 H new ATOM 0 HB THR B 32 12.715 -5.240 6.889 1.00 0.37 H new ATOM 0 HG1 THR B 32 10.803 -3.967 8.525 1.00 0.36 H new ATOM 0 HG21 THR B 32 10.292 -5.639 6.699 1.00 0.44 H new ATOM 0 HG22 THR B 32 11.162 -7.109 7.198 1.00 0.44 H new ATOM 0 HG23 THR B 32 10.248 -6.164 8.398 1.00 0.44 H new ATOM 2137 N VAL B 33 14.692 -4.277 8.532 1.00 0.42 N ATOM 2138 CA VAL B 33 16.062 -3.825 8.316 1.00 0.52 C ATOM 2139 C VAL B 33 16.708 -3.367 9.622 1.00 0.57 C ATOM 2140 O VAL B 33 17.933 -3.296 9.728 1.00 0.99 O ATOM 2141 CB VAL B 33 16.127 -2.683 7.276 1.00 0.56 C ATOM 2142 CG1 VAL B 33 15.796 -3.207 5.886 1.00 0.67 C ATOM 2143 CG2 VAL B 33 15.188 -1.547 7.657 1.00 0.51 C ATOM 0 H VAL B 33 13.995 -3.532 8.529 1.00 0.42 H new ATOM 0 HA VAL B 33 16.618 -4.679 7.929 1.00 0.52 H new ATOM 0 HB VAL B 33 17.144 -2.292 7.265 1.00 0.56 H new ATOM 0 HG11 VAL B 33 15.847 -2.389 5.167 1.00 0.67 H new ATOM 0 HG12 VAL B 33 16.513 -3.979 5.608 1.00 0.67 H new ATOM 0 HG13 VAL B 33 14.791 -3.628 5.886 1.00 0.67 H new ATOM 0 HG21 VAL B 33 15.252 -0.756 6.910 1.00 0.51 H new ATOM 0 HG22 VAL B 33 14.165 -1.921 7.703 1.00 0.51 H new ATOM 0 HG23 VAL B 33 15.474 -1.150 8.631 1.00 0.51 H new ATOM 2153 N GLY B 34 15.879 -3.064 10.613 1.00 0.36 N ATOM 2154 CA GLY B 34 16.388 -2.623 11.901 1.00 0.38 C ATOM 2155 C GLY B 34 16.491 -1.115 11.992 1.00 0.33 C ATOM 2156 O GLY B 34 16.984 -0.573 12.982 1.00 0.38 O ATOM 0 H GLY B 34 14.862 -3.115 10.549 1.00 0.36 H new ATOM 0 HA2 GLY B 34 15.734 -2.989 12.692 1.00 0.38 H new ATOM 0 HA3 GLY B 34 17.371 -3.063 12.071 1.00 0.38 H new ATOM 2160 N TYR B 35 16.027 -0.437 10.956 1.00 0.32 N ATOM 2161 CA TYR B 35 16.068 1.015 10.919 1.00 0.31 C ATOM 2162 C TYR B 35 14.838 1.599 11.585 1.00 0.29 C ATOM 2163 O TYR B 35 13.716 1.155 11.338 1.00 0.35 O ATOM 2164 CB TYR B 35 16.160 1.519 9.480 1.00 0.33 C ATOM 2165 CG TYR B 35 17.569 1.559 8.937 1.00 0.30 C ATOM 2166 CD1 TYR B 35 18.664 1.458 9.783 1.00 0.39 C ATOM 2167 CD2 TYR B 35 17.803 1.701 7.577 1.00 0.30 C ATOM 2168 CE1 TYR B 35 19.952 1.492 9.290 1.00 0.39 C ATOM 2169 CE2 TYR B 35 19.089 1.738 7.076 1.00 0.30 C ATOM 2170 CZ TYR B 35 20.160 1.632 7.937 1.00 0.30 C ATOM 2171 OH TYR B 35 21.444 1.661 7.446 1.00 0.34 O ATOM 0 H TYR B 35 15.617 -0.869 10.128 1.00 0.32 H new ATOM 0 HA TYR B 35 16.956 1.338 11.463 1.00 0.31 H new ATOM 0 HB2 TYR B 35 15.552 0.878 8.841 1.00 0.33 H new ATOM 0 HB3 TYR B 35 15.732 2.520 9.427 1.00 0.33 H new ATOM 0 HD1 TYR B 35 18.505 1.351 10.846 1.00 0.39 H new ATOM 0 HD2 TYR B 35 16.966 1.784 6.899 1.00 0.30 H new ATOM 0 HE1 TYR B 35 20.793 1.409 9.963 1.00 0.39 H new ATOM 0 HE2 TYR B 35 19.255 1.849 6.015 1.00 0.30 H new ATOM 0 HH TYR B 35 21.853 0.776 7.547 1.00 0.34 H new ATOM 2181 N GLN B 36 15.052 2.585 12.437 1.00 0.30 N ATOM 2182 CA GLN B 36 13.952 3.234 13.124 1.00 0.31 C ATOM 2183 C GLN B 36 13.262 4.190 12.159 1.00 0.30 C ATOM 2184 O GLN B 36 13.921 4.810 11.325 1.00 0.35 O ATOM 2185 CB GLN B 36 14.453 3.990 14.359 1.00 0.40 C ATOM 2186 CG GLN B 36 15.379 3.178 15.256 1.00 0.42 C ATOM 2187 CD GLN B 36 14.782 1.854 15.703 1.00 0.81 C ATOM 2188 OE1 GLN B 36 15.217 0.767 15.084 1.00 1.63 O flip ATOM 2189 NE2 GLN B 36 13.956 1.808 16.616 1.00 1.29 N flip ATOM 0 H GLN B 36 15.975 2.953 12.669 1.00 0.30 H new ATOM 0 HA GLN B 36 13.242 2.479 13.462 1.00 0.31 H new ATOM 0 HB2 GLN B 36 14.977 4.888 14.033 1.00 0.40 H new ATOM 0 HB3 GLN B 36 13.594 4.317 14.944 1.00 0.40 H new ATOM 0 HG2 GLN B 36 16.311 2.986 14.724 1.00 0.42 H new ATOM 0 HG3 GLN B 36 15.630 3.770 16.136 1.00 0.42 H new ATOM 0 HE21 GLN B 36 13.646 2.669 17.067 1.00 1.29 H new ATOM 0 HE22 GLN B 36 13.582 0.909 16.920 1.00 1.29 H new ATOM 2198 N PRO B 37 11.930 4.323 12.249 1.00 0.33 N ATOM 2199 CA PRO B 37 11.160 5.203 11.359 1.00 0.35 C ATOM 2200 C PRO B 37 11.690 6.638 11.351 1.00 0.31 C ATOM 2201 O PRO B 37 11.658 7.318 10.328 1.00 0.30 O ATOM 2202 CB PRO B 37 9.745 5.157 11.944 1.00 0.43 C ATOM 2203 CG PRO B 37 9.680 3.871 12.692 1.00 0.49 C ATOM 2204 CD PRO B 37 11.065 3.629 13.223 1.00 0.40 C ATOM 0 HA PRO B 37 11.216 4.876 10.321 1.00 0.35 H new ATOM 0 HB2 PRO B 37 9.562 6.006 12.602 1.00 0.43 H new ATOM 0 HB3 PRO B 37 8.991 5.195 11.158 1.00 0.43 H new ATOM 0 HG2 PRO B 37 8.955 3.929 13.504 1.00 0.49 H new ATOM 0 HG3 PRO B 37 9.364 3.056 12.040 1.00 0.49 H new ATOM 0 HD2 PRO B 37 11.186 4.033 14.228 1.00 0.40 H new ATOM 0 HD3 PRO B 37 11.294 2.565 13.278 1.00 0.40 H new ATOM 2212 N GLN B 38 12.209 7.072 12.493 1.00 0.33 N ATOM 2213 CA GLN B 38 12.740 8.424 12.646 1.00 0.35 C ATOM 2214 C GLN B 38 14.047 8.611 11.876 1.00 0.34 C ATOM 2215 O GLN B 38 14.440 9.738 11.572 1.00 0.33 O ATOM 2216 CB GLN B 38 12.964 8.741 14.127 1.00 0.46 C ATOM 2217 CG GLN B 38 11.680 8.821 14.944 1.00 0.57 C ATOM 2218 CD GLN B 38 11.085 7.458 15.251 1.00 1.14 C ATOM 2219 OE1 GLN B 38 11.799 6.458 15.331 1.00 2.03 O ATOM 2220 NE2 GLN B 38 9.775 7.407 15.420 1.00 1.34 N ATOM 0 H GLN B 38 12.274 6.501 13.336 1.00 0.33 H new ATOM 0 HA GLN B 38 12.003 9.112 12.232 1.00 0.35 H new ATOM 0 HB2 GLN B 38 13.610 7.976 14.558 1.00 0.46 H new ATOM 0 HB3 GLN B 38 13.495 9.690 14.209 1.00 0.46 H new ATOM 0 HG2 GLN B 38 11.883 9.341 15.880 1.00 0.57 H new ATOM 0 HG3 GLN B 38 10.947 9.417 14.401 1.00 0.57 H new ATOM 0 HE21 GLN B 38 9.218 8.258 15.346 1.00 1.34 H new ATOM 0 HE22 GLN B 38 9.321 6.517 15.625 1.00 1.34 H new ATOM 2229 N GLU B 39 14.712 7.509 11.550 1.00 0.39 N ATOM 2230 CA GLU B 39 15.973 7.569 10.819 1.00 0.44 C ATOM 2231 C GLU B 39 15.722 7.789 9.331 1.00 0.44 C ATOM 2232 O GLU B 39 16.543 8.386 8.634 1.00 0.53 O ATOM 2233 CB GLU B 39 16.785 6.286 11.023 1.00 0.55 C ATOM 2234 CG GLU B 39 16.960 5.897 12.482 1.00 0.59 C ATOM 2235 CD GLU B 39 18.006 4.818 12.678 1.00 1.16 C ATOM 2236 OE1 GLU B 39 19.205 5.156 12.729 1.00 1.59 O ATOM 2237 OE2 GLU B 39 17.638 3.628 12.792 1.00 1.69 O ATOM 0 H GLU B 39 14.401 6.565 11.779 1.00 0.39 H new ATOM 0 HA GLU B 39 16.545 8.410 11.210 1.00 0.44 H new ATOM 0 HB2 GLU B 39 16.294 5.468 10.495 1.00 0.55 H new ATOM 0 HB3 GLU B 39 17.768 6.413 10.570 1.00 0.55 H new ATOM 0 HG2 GLU B 39 17.241 6.779 13.058 1.00 0.59 H new ATOM 0 HG3 GLU B 39 16.006 5.549 12.878 1.00 0.59 H new ATOM 2244 N LEU B 40 14.578 7.314 8.856 1.00 0.41 N ATOM 2245 CA LEU B 40 14.215 7.446 7.449 1.00 0.44 C ATOM 2246 C LEU B 40 13.530 8.782 7.177 1.00 0.40 C ATOM 2247 O LEU B 40 13.517 9.263 6.043 1.00 0.45 O ATOM 2248 CB LEU B 40 13.288 6.301 7.021 1.00 0.50 C ATOM 2249 CG LEU B 40 13.960 4.942 6.782 1.00 0.53 C ATOM 2250 CD1 LEU B 40 15.238 5.104 5.975 1.00 1.10 C ATOM 2251 CD2 LEU B 40 14.242 4.237 8.099 1.00 1.24 C ATOM 0 H LEU B 40 13.883 6.832 9.426 1.00 0.41 H new ATOM 0 HA LEU B 40 15.136 7.402 6.868 1.00 0.44 H new ATOM 0 HB2 LEU B 40 12.522 6.175 7.786 1.00 0.50 H new ATOM 0 HB3 LEU B 40 12.777 6.597 6.105 1.00 0.50 H new ATOM 0 HG LEU B 40 13.271 4.323 6.207 1.00 0.53 H new ATOM 0 HD11 LEU B 40 15.696 4.127 5.819 1.00 1.10 H new ATOM 0 HD12 LEU B 40 15.004 5.554 5.010 1.00 1.10 H new ATOM 0 HD13 LEU B 40 15.931 5.747 6.517 1.00 1.10 H new ATOM 0 HD21 LEU B 40 14.718 3.276 7.903 1.00 1.24 H new ATOM 0 HD22 LEU B 40 14.905 4.853 8.707 1.00 1.24 H new ATOM 0 HD23 LEU B 40 13.306 4.075 8.633 1.00 1.24 H new ATOM 2263 N LEU B 41 12.967 9.379 8.220 1.00 0.34 N ATOM 2264 CA LEU B 41 12.268 10.653 8.092 1.00 0.34 C ATOM 2265 C LEU B 41 13.206 11.752 7.596 1.00 0.38 C ATOM 2266 O LEU B 41 14.177 12.108 8.270 1.00 0.43 O ATOM 2267 CB LEU B 41 11.647 11.063 9.432 1.00 0.29 C ATOM 2268 CG LEU B 41 10.516 10.164 9.935 1.00 0.28 C ATOM 2269 CD1 LEU B 41 9.966 10.689 11.252 1.00 0.30 C ATOM 2270 CD2 LEU B 41 9.410 10.064 8.894 1.00 0.30 C ATOM 0 H LEU B 41 12.981 9.001 9.167 1.00 0.34 H new ATOM 0 HA LEU B 41 11.474 10.522 7.357 1.00 0.34 H new ATOM 0 HB2 LEU B 41 12.434 11.084 10.186 1.00 0.29 H new ATOM 0 HB3 LEU B 41 11.266 12.080 9.340 1.00 0.29 H new ATOM 0 HG LEU B 41 10.918 9.165 10.104 1.00 0.28 H new ATOM 0 HD11 LEU B 41 9.162 10.038 11.596 1.00 0.30 H new ATOM 0 HD12 LEU B 41 10.762 10.708 11.997 1.00 0.30 H new ATOM 0 HD13 LEU B 41 9.579 11.698 11.108 1.00 0.30 H new ATOM 0 HD21 LEU B 41 8.614 9.421 9.269 1.00 0.30 H new ATOM 0 HD22 LEU B 41 9.009 11.057 8.693 1.00 0.30 H new ATOM 0 HD23 LEU B 41 9.814 9.642 7.974 1.00 0.30 H new ATOM 2282 N GLY B 42 12.917 12.272 6.409 1.00 0.43 N ATOM 2283 CA GLY B 42 13.730 13.331 5.836 1.00 0.51 C ATOM 2284 C GLY B 42 14.906 12.802 5.039 1.00 0.49 C ATOM 2285 O GLY B 42 15.716 13.574 4.519 1.00 0.53 O ATOM 0 H GLY B 42 12.130 11.978 5.830 1.00 0.43 H new ATOM 0 HA2 GLY B 42 13.108 13.951 5.190 1.00 0.51 H new ATOM 0 HA3 GLY B 42 14.098 13.973 6.636 1.00 0.51 H new ATOM 2289 N LYS B 43 15.003 11.487 4.934 1.00 0.46 N ATOM 2290 CA LYS B 43 16.087 10.858 4.199 1.00 0.47 C ATOM 2291 C LYS B 43 15.585 10.268 2.891 1.00 0.40 C ATOM 2292 O LYS B 43 14.397 9.977 2.746 1.00 0.50 O ATOM 2293 CB LYS B 43 16.736 9.765 5.046 1.00 0.57 C ATOM 2294 CG LYS B 43 17.679 10.292 6.115 1.00 0.73 C ATOM 2295 CD LYS B 43 19.035 10.659 5.535 1.00 0.81 C ATOM 2296 CE LYS B 43 19.093 12.121 5.123 1.00 1.70 C ATOM 2297 NZ LYS B 43 20.328 12.433 4.362 1.00 2.45 N ATOM 0 H LYS B 43 14.341 10.832 5.351 1.00 0.46 H new ATOM 0 HA LYS B 43 16.830 11.623 3.971 1.00 0.47 H new ATOM 0 HB2 LYS B 43 15.953 9.177 5.524 1.00 0.57 H new ATOM 0 HB3 LYS B 43 17.286 9.090 4.391 1.00 0.57 H new ATOM 0 HG2 LYS B 43 17.237 11.168 6.591 1.00 0.73 H new ATOM 0 HG3 LYS B 43 17.807 9.538 6.892 1.00 0.73 H new ATOM 0 HD2 LYS B 43 19.813 10.457 6.272 1.00 0.81 H new ATOM 0 HD3 LYS B 43 19.244 10.029 4.671 1.00 0.81 H new ATOM 0 HE2 LYS B 43 18.221 12.362 4.515 1.00 1.70 H new ATOM 0 HE3 LYS B 43 19.045 12.751 6.011 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 20.137 13.205 3.692 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 21.078 12.724 5.021 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 20.636 11.589 3.838 1.00 2.45 H new ATOM 2311 N ASN B 44 16.496 10.108 1.942 1.00 0.32 N ATOM 2312 CA ASN B 44 16.161 9.543 0.646 1.00 0.29 C ATOM 2313 C ASN B 44 16.442 8.048 0.641 1.00 0.28 C ATOM 2314 O ASN B 44 17.479 7.606 1.134 1.00 0.30 O ATOM 2315 CB ASN B 44 16.978 10.210 -0.468 1.00 0.30 C ATOM 2316 CG ASN B 44 16.679 11.689 -0.632 1.00 0.91 C ATOM 2317 OD1 ASN B 44 17.204 12.525 0.103 1.00 1.92 O ATOM 2318 ND2 ASN B 44 15.851 12.027 -1.608 1.00 0.70 N ATOM 0 H ASN B 44 17.478 10.364 2.048 1.00 0.32 H new ATOM 0 HA ASN B 44 15.101 9.721 0.464 1.00 0.29 H new ATOM 0 HB2 ASN B 44 18.040 10.083 -0.256 1.00 0.30 H new ATOM 0 HB3 ASN B 44 16.778 9.700 -1.410 1.00 0.30 H new ATOM 0 HD21 ASN B 44 15.629 13.009 -1.771 1.00 0.70 H new ATOM 0 HD22 ASN B 44 15.435 11.305 -2.197 1.00 0.70 H new ATOM 2325 N ILE B 45 15.526 7.272 0.081 1.00 0.25 N ATOM 2326 CA ILE B 45 15.692 5.823 -0.002 1.00 0.25 C ATOM 2327 C ILE B 45 16.946 5.466 -0.809 1.00 0.24 C ATOM 2328 O ILE B 45 17.572 4.431 -0.585 1.00 0.31 O ATOM 2329 CB ILE B 45 14.443 5.156 -0.633 1.00 0.25 C ATOM 2330 CG1 ILE B 45 14.611 3.634 -0.706 1.00 0.27 C ATOM 2331 CG2 ILE B 45 14.169 5.731 -2.017 1.00 0.24 C ATOM 2332 CD1 ILE B 45 13.328 2.892 -1.017 1.00 0.28 C ATOM 0 H ILE B 45 14.657 7.620 -0.324 1.00 0.25 H new ATOM 0 HA ILE B 45 15.810 5.442 1.013 1.00 0.25 H new ATOM 0 HB ILE B 45 13.587 5.372 0.006 1.00 0.25 H new ATOM 0 HG12 ILE B 45 15.352 3.396 -1.469 1.00 0.27 H new ATOM 0 HG13 ILE B 45 15.006 3.275 0.244 1.00 0.27 H new ATOM 0 HG21 ILE B 45 13.289 5.250 -2.443 1.00 0.24 H new ATOM 0 HG22 ILE B 45 13.993 6.804 -1.937 1.00 0.24 H new ATOM 0 HG23 ILE B 45 15.029 5.551 -2.662 1.00 0.24 H new ATOM 0 HD11 ILE B 45 13.527 1.821 -1.052 1.00 0.28 H new ATOM 0 HD12 ILE B 45 12.591 3.099 -0.241 1.00 0.28 H new ATOM 0 HD13 ILE B 45 12.942 3.221 -1.982 1.00 0.28 H new ATOM 2344 N VAL B 46 17.324 6.356 -1.719 1.00 0.21 N ATOM 2345 CA VAL B 46 18.495 6.154 -2.561 1.00 0.23 C ATOM 2346 C VAL B 46 19.790 6.254 -1.744 1.00 0.23 C ATOM 2347 O VAL B 46 20.832 5.731 -2.143 1.00 0.29 O ATOM 2348 CB VAL B 46 18.514 7.176 -3.726 1.00 0.26 C ATOM 2349 CG1 VAL B 46 18.745 8.592 -3.214 1.00 1.08 C ATOM 2350 CG2 VAL B 46 19.557 6.802 -4.768 1.00 1.15 C ATOM 0 H VAL B 46 16.831 7.232 -1.893 1.00 0.21 H new ATOM 0 HA VAL B 46 18.434 5.149 -2.979 1.00 0.23 H new ATOM 0 HB VAL B 46 17.535 7.147 -4.204 1.00 0.26 H new ATOM 0 HG11 VAL B 46 18.753 9.286 -4.054 1.00 1.08 H new ATOM 0 HG12 VAL B 46 17.945 8.865 -2.526 1.00 1.08 H new ATOM 0 HG13 VAL B 46 19.702 8.640 -2.695 1.00 1.08 H new ATOM 0 HG21 VAL B 46 19.547 7.537 -5.573 1.00 1.15 H new ATOM 0 HG22 VAL B 46 20.544 6.784 -4.305 1.00 1.15 H new ATOM 0 HG23 VAL B 46 19.329 5.816 -5.174 1.00 1.15 H new ATOM 2360 N GLU B 47 19.714 6.900 -0.585 1.00 0.23 N ATOM 2361 CA GLU B 47 20.881 7.064 0.273 1.00 0.27 C ATOM 2362 C GLU B 47 21.221 5.757 0.977 1.00 0.25 C ATOM 2363 O GLU B 47 22.392 5.418 1.146 1.00 0.35 O ATOM 2364 CB GLU B 47 20.639 8.165 1.308 1.00 0.34 C ATOM 2365 CG GLU B 47 20.313 9.517 0.693 1.00 0.42 C ATOM 2366 CD GLU B 47 20.200 10.617 1.725 1.00 1.07 C ATOM 2367 OE1 GLU B 47 21.246 11.139 2.163 1.00 1.06 O ATOM 2368 OE2 GLU B 47 19.069 10.970 2.106 1.00 1.96 O ATOM 0 H GLU B 47 18.858 7.318 -0.219 1.00 0.23 H new ATOM 0 HA GLU B 47 21.723 7.352 -0.357 1.00 0.27 H new ATOM 0 HB2 GLU B 47 19.819 7.865 1.961 1.00 0.34 H new ATOM 0 HB3 GLU B 47 21.525 8.264 1.935 1.00 0.34 H new ATOM 0 HG2 GLU B 47 21.087 9.779 -0.028 1.00 0.42 H new ATOM 0 HG3 GLU B 47 19.375 9.444 0.142 1.00 0.42 H new ATOM 2375 N PHE B 48 20.187 5.017 1.362 1.00 0.22 N ATOM 2376 CA PHE B 48 20.365 3.744 2.053 1.00 0.26 C ATOM 2377 C PHE B 48 20.307 2.587 1.063 1.00 0.26 C ATOM 2378 O PHE B 48 20.131 1.431 1.447 1.00 0.33 O ATOM 2379 CB PHE B 48 19.285 3.555 3.121 1.00 0.32 C ATOM 2380 CG PHE B 48 19.254 4.639 4.160 1.00 0.35 C ATOM 2381 CD1 PHE B 48 20.026 4.543 5.304 1.00 0.40 C ATOM 2382 CD2 PHE B 48 18.448 5.754 3.992 1.00 0.39 C ATOM 2383 CE1 PHE B 48 19.996 5.537 6.263 1.00 0.45 C ATOM 2384 CE2 PHE B 48 18.414 6.750 4.946 1.00 0.45 C ATOM 2385 CZ PHE B 48 19.189 6.642 6.084 1.00 0.46 C ATOM 0 H PHE B 48 19.213 5.278 1.207 1.00 0.22 H new ATOM 0 HA PHE B 48 21.343 3.756 2.534 1.00 0.26 H new ATOM 0 HB2 PHE B 48 18.311 3.506 2.633 1.00 0.32 H new ATOM 0 HB3 PHE B 48 19.442 2.597 3.616 1.00 0.32 H new ATOM 0 HD1 PHE B 48 20.660 3.681 5.449 1.00 0.40 H new ATOM 0 HD2 PHE B 48 17.840 5.844 3.104 1.00 0.39 H new ATOM 0 HE1 PHE B 48 20.603 5.449 7.152 1.00 0.45 H new ATOM 0 HE2 PHE B 48 17.782 7.614 4.803 1.00 0.45 H new ATOM 0 HZ PHE B 48 19.164 7.421 6.832 1.00 0.46 H new ATOM 2395 N CYS B 49 20.448 2.908 -0.211 1.00 0.23 N ATOM 2396 CA CYS B 49 20.405 1.905 -1.257 1.00 0.28 C ATOM 2397 C CYS B 49 21.809 1.570 -1.735 1.00 0.30 C ATOM 2398 O CYS B 49 22.721 2.395 -1.643 1.00 0.38 O ATOM 2399 CB CYS B 49 19.558 2.404 -2.432 1.00 0.31 C ATOM 2400 SG CYS B 49 19.389 1.221 -3.790 1.00 1.17 S ATOM 0 H CYS B 49 20.594 3.860 -0.546 1.00 0.23 H new ATOM 0 HA CYS B 49 19.952 1.002 -0.849 1.00 0.28 H new ATOM 0 HB2 CYS B 49 18.564 2.660 -2.064 1.00 0.31 H new ATOM 0 HB3 CYS B 49 20.001 3.322 -2.819 1.00 0.31 H new ATOM 0 HG CYS B 49 18.662 0.215 -3.402 1.00 1.17 H new ATOM 2406 N HIS B 50 21.973 0.347 -2.218 1.00 0.32 N ATOM 2407 CA HIS B 50 23.248 -0.120 -2.742 1.00 0.38 C ATOM 2408 C HIS B 50 23.692 0.798 -3.879 1.00 0.32 C ATOM 2409 O HIS B 50 22.921 1.050 -4.798 1.00 0.31 O ATOM 2410 CB HIS B 50 23.086 -1.559 -3.242 1.00 0.54 C ATOM 2411 CG HIS B 50 24.366 -2.300 -3.478 1.00 0.41 C ATOM 2412 ND1 HIS B 50 24.541 -3.151 -4.543 1.00 1.06 N ATOM 2413 CD2 HIS B 50 25.519 -2.345 -2.771 1.00 1.18 C ATOM 2414 CE1 HIS B 50 25.742 -3.691 -4.482 1.00 0.87 C ATOM 2415 NE2 HIS B 50 26.359 -3.219 -3.415 1.00 1.08 N ATOM 0 H HIS B 50 21.228 -0.348 -2.258 1.00 0.32 H new ATOM 0 HA HIS B 50 24.008 -0.101 -1.961 1.00 0.38 H new ATOM 0 HB2 HIS B 50 22.492 -2.114 -2.516 1.00 0.54 H new ATOM 0 HB3 HIS B 50 22.518 -1.542 -4.172 1.00 0.54 H new ATOM 0 HD1 HIS B 50 23.848 -3.336 -5.269 1.00 1.06 H new ATOM 0 HD2 HIS B 50 25.738 -1.795 -1.868 1.00 1.18 H new ATOM 0 HE1 HIS B 50 26.152 -4.400 -5.186 1.00 0.87 H new ATOM 2424 N PRO B 51 24.926 1.320 -3.820 1.00 0.35 N ATOM 2425 CA PRO B 51 25.463 2.230 -4.843 1.00 0.38 C ATOM 2426 C PRO B 51 25.211 1.761 -6.279 1.00 0.36 C ATOM 2427 O PRO B 51 24.770 2.542 -7.117 1.00 0.46 O ATOM 2428 CB PRO B 51 26.957 2.247 -4.536 1.00 0.47 C ATOM 2429 CG PRO B 51 27.033 2.016 -3.068 1.00 0.72 C ATOM 2430 CD PRO B 51 25.900 1.084 -2.737 1.00 0.44 C ATOM 0 HA PRO B 51 24.982 3.207 -4.799 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.486 1.470 -5.089 1.00 0.47 H new ATOM 0 HB3 PRO B 51 27.409 3.199 -4.813 1.00 0.47 H new ATOM 0 HG2 PRO B 51 27.992 1.578 -2.791 1.00 0.72 H new ATOM 0 HG3 PRO B 51 26.940 2.954 -2.520 1.00 0.72 H new ATOM 0 HD2 PRO B 51 26.230 0.045 -2.714 1.00 0.44 H new ATOM 0 HD3 PRO B 51 25.473 1.305 -1.759 1.00 0.44 H new ATOM 2438 N GLU B 52 25.475 0.488 -6.555 1.00 0.37 N ATOM 2439 CA GLU B 52 25.276 -0.067 -7.896 1.00 0.38 C ATOM 2440 C GLU B 52 23.802 -0.368 -8.179 1.00 0.37 C ATOM 2441 O GLU B 52 23.462 -0.904 -9.235 1.00 0.40 O ATOM 2442 CB GLU B 52 26.103 -1.343 -8.078 1.00 0.45 C ATOM 2443 CG GLU B 52 27.552 -1.205 -7.640 1.00 0.78 C ATOM 2444 CD GLU B 52 27.776 -1.687 -6.222 1.00 1.36 C ATOM 2445 OE1 GLU B 52 27.319 -1.010 -5.276 1.00 2.04 O ATOM 2446 OE2 GLU B 52 28.398 -2.754 -6.048 1.00 1.70 O ATOM 0 H GLU B 52 25.827 -0.181 -5.871 1.00 0.37 H new ATOM 0 HA GLU B 52 25.609 0.689 -8.607 1.00 0.38 H new ATOM 0 HB2 GLU B 52 25.638 -2.150 -7.512 1.00 0.45 H new ATOM 0 HB3 GLU B 52 26.077 -1.634 -9.128 1.00 0.45 H new ATOM 0 HG2 GLU B 52 28.189 -1.772 -8.318 1.00 0.78 H new ATOM 0 HG3 GLU B 52 27.854 -0.161 -7.718 1.00 0.78 H new ATOM 2453 N ASP B 53 22.932 -0.036 -7.238 1.00 0.36 N ATOM 2454 CA ASP B 53 21.499 -0.268 -7.402 1.00 0.37 C ATOM 2455 C ASP B 53 20.721 1.027 -7.208 1.00 0.38 C ATOM 2456 O ASP B 53 19.491 1.034 -7.230 1.00 0.42 O ATOM 2457 CB ASP B 53 20.999 -1.308 -6.395 1.00 0.47 C ATOM 2458 CG ASP B 53 21.444 -2.717 -6.725 1.00 0.48 C ATOM 2459 OD1 ASP B 53 20.784 -3.380 -7.547 1.00 1.09 O ATOM 2460 OD2 ASP B 53 22.455 -3.177 -6.150 1.00 1.10 O ATOM 0 H ASP B 53 23.190 0.396 -6.351 1.00 0.36 H new ATOM 0 HA ASP B 53 21.337 -0.640 -8.414 1.00 0.37 H new ATOM 0 HB2 ASP B 53 21.358 -1.044 -5.400 1.00 0.47 H new ATOM 0 HB3 ASP B 53 19.910 -1.276 -6.360 1.00 0.47 H new ATOM 2465 N GLN B 54 21.449 2.120 -7.030 1.00 0.41 N ATOM 2466 CA GLN B 54 20.839 3.428 -6.807 1.00 0.47 C ATOM 2467 C GLN B 54 20.029 3.882 -8.015 1.00 0.50 C ATOM 2468 O GLN B 54 18.877 4.301 -7.878 1.00 0.53 O ATOM 2469 CB GLN B 54 21.912 4.463 -6.473 1.00 0.56 C ATOM 2470 CG GLN B 54 22.394 4.396 -5.033 1.00 0.65 C ATOM 2471 CD GLN B 54 23.483 5.408 -4.735 1.00 0.69 C ATOM 2472 OE1 GLN B 54 24.311 5.722 -5.594 1.00 1.10 O ATOM 2473 NE2 GLN B 54 23.485 5.936 -3.522 1.00 0.80 N ATOM 0 H GLN B 54 22.469 2.129 -7.035 1.00 0.41 H new ATOM 0 HA GLN B 54 20.156 3.335 -5.963 1.00 0.47 H new ATOM 0 HB2 GLN B 54 22.763 4.320 -7.139 1.00 0.56 H new ATOM 0 HB3 GLN B 54 21.517 5.460 -6.669 1.00 0.56 H new ATOM 0 HG2 GLN B 54 21.551 4.567 -4.363 1.00 0.65 H new ATOM 0 HG3 GLN B 54 22.768 3.393 -4.825 1.00 0.65 H new ATOM 0 HE21 GLN B 54 22.783 5.650 -2.840 1.00 0.80 H new ATOM 0 HE22 GLN B 54 24.189 6.630 -3.269 1.00 0.80 H new ATOM 2482 N GLN B 55 20.619 3.774 -9.199 1.00 0.54 N ATOM 2483 CA GLN B 55 19.943 4.186 -10.419 1.00 0.61 C ATOM 2484 C GLN B 55 18.787 3.247 -10.729 1.00 0.52 C ATOM 2485 O GLN B 55 17.781 3.659 -11.299 1.00 0.52 O ATOM 2486 CB GLN B 55 20.919 4.242 -11.595 1.00 0.76 C ATOM 2487 CG GLN B 55 20.368 4.990 -12.798 1.00 1.33 C ATOM 2488 CD GLN B 55 19.780 6.341 -12.424 1.00 1.73 C ATOM 2489 OE1 GLN B 55 20.235 6.995 -11.485 1.00 2.72 O ATOM 2490 NE2 GLN B 55 18.758 6.764 -13.151 1.00 1.51 N ATOM 0 H GLN B 55 21.560 3.406 -9.338 1.00 0.54 H new ATOM 0 HA GLN B 55 19.545 5.189 -10.264 1.00 0.61 H new ATOM 0 HB2 GLN B 55 21.842 4.721 -11.269 1.00 0.76 H new ATOM 0 HB3 GLN B 55 21.176 3.226 -11.894 1.00 0.76 H new ATOM 0 HG2 GLN B 55 21.164 5.134 -13.528 1.00 1.33 H new ATOM 0 HG3 GLN B 55 19.600 4.384 -13.278 1.00 1.33 H new ATOM 0 HE21 GLN B 55 18.409 6.193 -13.921 1.00 1.51 H new ATOM 0 HE22 GLN B 55 18.319 7.660 -12.941 1.00 1.51 H new ATOM 2499 N LEU B 56 18.932 1.988 -10.329 1.00 0.51 N ATOM 2500 CA LEU B 56 17.893 0.990 -10.549 1.00 0.51 C ATOM 2501 C LEU B 56 16.621 1.393 -9.812 1.00 0.42 C ATOM 2502 O LEU B 56 15.513 1.260 -10.337 1.00 0.42 O ATOM 2503 CB LEU B 56 18.369 -0.383 -10.072 1.00 0.60 C ATOM 2504 CG LEU B 56 17.354 -1.516 -10.228 1.00 0.63 C ATOM 2505 CD1 LEU B 56 17.072 -1.787 -11.698 1.00 1.29 C ATOM 2506 CD2 LEU B 56 17.862 -2.773 -9.544 1.00 1.42 C ATOM 0 H LEU B 56 19.760 1.635 -9.850 1.00 0.51 H new ATOM 0 HA LEU B 56 17.679 0.932 -11.616 1.00 0.51 H new ATOM 0 HB2 LEU B 56 19.272 -0.648 -10.622 1.00 0.60 H new ATOM 0 HB3 LEU B 56 18.647 -0.308 -9.021 1.00 0.60 H new ATOM 0 HG LEU B 56 16.421 -1.212 -9.753 1.00 0.63 H new ATOM 0 HD11 LEU B 56 16.347 -2.597 -11.786 1.00 1.29 H new ATOM 0 HD12 LEU B 56 16.669 -0.887 -12.163 1.00 1.29 H new ATOM 0 HD13 LEU B 56 17.997 -2.072 -12.199 1.00 1.29 H new ATOM 0 HD21 LEU B 56 17.131 -3.572 -9.662 1.00 1.42 H new ATOM 0 HD22 LEU B 56 18.807 -3.076 -9.995 1.00 1.42 H new ATOM 0 HD23 LEU B 56 18.014 -2.574 -8.483 1.00 1.42 H new ATOM 2518 N LEU B 57 16.793 1.899 -8.597 1.00 0.40 N ATOM 2519 CA LEU B 57 15.670 2.344 -7.787 1.00 0.39 C ATOM 2520 C LEU B 57 15.003 3.551 -8.432 1.00 0.37 C ATOM 2521 O LEU B 57 13.789 3.565 -8.634 1.00 0.39 O ATOM 2522 CB LEU B 57 16.136 2.705 -6.378 1.00 0.48 C ATOM 2523 CG LEU B 57 15.590 1.816 -5.260 1.00 0.60 C ATOM 2524 CD1 LEU B 57 15.986 2.376 -3.906 1.00 1.01 C ATOM 2525 CD2 LEU B 57 14.077 1.686 -5.360 1.00 1.15 C ATOM 0 H LEU B 57 17.704 2.011 -8.151 1.00 0.40 H new ATOM 0 HA LEU B 57 14.949 1.529 -7.722 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.225 2.665 -6.352 1.00 0.48 H new ATOM 0 HB3 LEU B 57 15.850 3.736 -6.172 1.00 0.48 H new ATOM 0 HG LEU B 57 16.023 0.822 -5.370 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.592 1.735 -3.118 1.00 1.01 H new ATOM 0 HD12 LEU B 57 17.073 2.415 -3.832 1.00 1.01 H new ATOM 0 HD13 LEU B 57 15.578 3.381 -3.794 1.00 1.01 H new ATOM 0 HD21 LEU B 57 13.712 1.049 -4.554 1.00 1.15 H new ATOM 0 HD22 LEU B 57 13.621 2.672 -5.277 1.00 1.15 H new ATOM 0 HD23 LEU B 57 13.813 1.243 -6.320 1.00 1.15 H new ATOM 2537 N ARG B 58 15.810 4.550 -8.772 1.00 0.42 N ATOM 2538 CA ARG B 58 15.305 5.769 -9.395 1.00 0.50 C ATOM 2539 C ARG B 58 14.600 5.456 -10.712 1.00 0.44 C ATOM 2540 O ARG B 58 13.527 5.988 -10.992 1.00 0.44 O ATOM 2541 CB ARG B 58 16.442 6.765 -9.627 1.00 0.65 C ATOM 2542 CG ARG B 58 15.974 8.094 -10.195 1.00 1.08 C ATOM 2543 CD ARG B 58 17.023 9.175 -10.024 1.00 1.12 C ATOM 2544 NE ARG B 58 16.612 10.433 -10.642 1.00 1.90 N ATOM 2545 CZ ARG B 58 17.408 11.191 -11.390 1.00 2.21 C ATOM 2546 NH1 ARG B 58 18.673 10.841 -11.592 1.00 1.97 N ATOM 2547 NH2 ARG B 58 16.942 12.311 -11.920 1.00 3.01 N ATOM 0 H ARG B 58 16.819 4.540 -8.626 1.00 0.42 H new ATOM 0 HA ARG B 58 14.580 6.218 -8.716 1.00 0.50 H new ATOM 0 HB2 ARG B 58 16.957 6.943 -8.683 1.00 0.65 H new ATOM 0 HB3 ARG B 58 17.169 6.323 -10.308 1.00 0.65 H new ATOM 0 HG2 ARG B 58 15.741 7.976 -11.253 1.00 1.08 H new ATOM 0 HG3 ARG B 58 15.053 8.398 -9.698 1.00 1.08 H new ATOM 0 HD2 ARG B 58 17.209 9.336 -8.962 1.00 1.12 H new ATOM 0 HD3 ARG B 58 17.962 8.843 -10.466 1.00 1.12 H new ATOM 0 HE ARG B 58 15.654 10.750 -10.490 1.00 1.90 H new ATOM 0 HH11 ARG B 58 19.039 9.986 -11.172 1.00 1.97 H new ATOM 0 HH12 ARG B 58 19.279 11.427 -12.167 1.00 1.97 H new ATOM 0 HH21 ARG B 58 15.975 12.590 -11.754 1.00 3.01 H new ATOM 0 HH22 ARG B 58 17.550 12.895 -12.494 1.00 3.01 H new ATOM 2561 N ASP B 59 15.201 4.579 -11.508 1.00 0.42 N ATOM 2562 CA ASP B 59 14.629 4.184 -12.791 1.00 0.43 C ATOM 2563 C ASP B 59 13.264 3.539 -12.590 1.00 0.37 C ATOM 2564 O ASP B 59 12.337 3.758 -13.371 1.00 0.39 O ATOM 2565 CB ASP B 59 15.568 3.218 -13.518 1.00 0.49 C ATOM 2566 CG ASP B 59 15.062 2.830 -14.894 1.00 0.58 C ATOM 2567 OD1 ASP B 59 14.714 3.733 -15.686 1.00 0.76 O ATOM 2568 OD2 ASP B 59 15.020 1.618 -15.191 1.00 0.78 O ATOM 0 H ASP B 59 16.088 4.126 -11.287 1.00 0.42 H new ATOM 0 HA ASP B 59 14.505 5.078 -13.402 1.00 0.43 H new ATOM 0 HB2 ASP B 59 16.552 3.678 -13.614 1.00 0.49 H new ATOM 0 HB3 ASP B 59 15.694 2.319 -12.915 1.00 0.49 H new ATOM 2573 N SER B 60 13.140 2.757 -11.525 1.00 0.33 N ATOM 2574 CA SER B 60 11.886 2.094 -11.207 1.00 0.33 C ATOM 2575 C SER B 60 10.865 3.111 -10.702 1.00 0.28 C ATOM 2576 O SER B 60 9.669 2.993 -10.975 1.00 0.29 O ATOM 2577 CB SER B 60 12.112 1.000 -10.163 1.00 0.39 C ATOM 2578 OG SER B 60 13.040 0.035 -10.634 1.00 1.41 O ATOM 0 H SER B 60 13.896 2.567 -10.867 1.00 0.33 H new ATOM 0 HA SER B 60 11.496 1.630 -12.113 1.00 0.33 H new ATOM 0 HB2 SER B 60 12.481 1.444 -9.239 1.00 0.39 H new ATOM 0 HB3 SER B 60 11.165 0.515 -9.928 1.00 0.39 H new ATOM 0 HG SER B 60 13.948 0.400 -10.579 1.00 1.41 H new ATOM 2584 N PHE B 61 11.346 4.118 -9.973 1.00 0.30 N ATOM 2585 CA PHE B 61 10.480 5.167 -9.450 1.00 0.32 C ATOM 2586 C PHE B 61 9.881 5.968 -10.595 1.00 0.33 C ATOM 2587 O PHE B 61 8.688 6.263 -10.602 1.00 0.34 O ATOM 2588 CB PHE B 61 11.250 6.094 -8.506 1.00 0.39 C ATOM 2589 CG PHE B 61 11.418 5.534 -7.125 1.00 0.43 C ATOM 2590 CD1 PHE B 61 10.358 4.919 -6.478 1.00 0.62 C ATOM 2591 CD2 PHE B 61 12.636 5.621 -6.473 1.00 0.59 C ATOM 2592 CE1 PHE B 61 10.511 4.401 -5.208 1.00 0.70 C ATOM 2593 CE2 PHE B 61 12.795 5.106 -5.202 1.00 0.65 C ATOM 2594 CZ PHE B 61 11.730 4.495 -4.568 1.00 0.60 C ATOM 0 H PHE B 61 12.331 4.227 -9.733 1.00 0.30 H new ATOM 0 HA PHE B 61 9.677 4.696 -8.884 1.00 0.32 H new ATOM 0 HB2 PHE B 61 12.234 6.296 -8.930 1.00 0.39 H new ATOM 0 HB3 PHE B 61 10.728 7.049 -8.442 1.00 0.39 H new ATOM 0 HD1 PHE B 61 9.401 4.844 -6.973 1.00 0.62 H new ATOM 0 HD2 PHE B 61 13.472 6.097 -6.964 1.00 0.59 H new ATOM 0 HE1 PHE B 61 9.677 3.922 -4.715 1.00 0.70 H new ATOM 0 HE2 PHE B 61 13.750 5.181 -4.704 1.00 0.65 H new ATOM 0 HZ PHE B 61 11.851 4.092 -3.573 1.00 0.60 H new ATOM 2604 N GLN B 62 10.710 6.307 -11.573 1.00 0.35 N ATOM 2605 CA GLN B 62 10.244 7.055 -12.730 1.00 0.41 C ATOM 2606 C GLN B 62 9.235 6.218 -13.511 1.00 0.37 C ATOM 2607 O GLN B 62 8.244 6.737 -14.024 1.00 0.40 O ATOM 2608 CB GLN B 62 11.416 7.449 -13.632 1.00 0.52 C ATOM 2609 CG GLN B 62 12.499 8.250 -12.921 1.00 0.79 C ATOM 2610 CD GLN B 62 11.990 9.544 -12.313 1.00 1.44 C ATOM 2611 OE1 GLN B 62 11.038 10.185 -12.973 1.00 2.08 O flip ATOM 2612 NE2 GLN B 62 12.467 9.976 -11.264 1.00 2.12 N flip ATOM 0 H GLN B 62 11.704 6.077 -11.588 1.00 0.35 H new ATOM 0 HA GLN B 62 9.762 7.969 -12.383 1.00 0.41 H new ATOM 0 HB2 GLN B 62 11.861 6.545 -14.049 1.00 0.52 H new ATOM 0 HB3 GLN B 62 11.036 8.034 -14.470 1.00 0.52 H new ATOM 0 HG2 GLN B 62 12.938 7.636 -12.135 1.00 0.79 H new ATOM 0 HG3 GLN B 62 13.296 8.478 -13.629 1.00 0.79 H new ATOM 0 HE21 GLN B 62 13.200 9.454 -10.784 1.00 2.12 H new ATOM 0 HE22 GLN B 62 12.130 10.856 -10.875 1.00 2.12 H new ATOM 2621 N GLN B 63 9.496 4.916 -13.575 1.00 0.34 N ATOM 2622 CA GLN B 63 8.622 3.979 -14.272 1.00 0.36 C ATOM 2623 C GLN B 63 7.250 3.901 -13.608 1.00 0.29 C ATOM 2624 O GLN B 63 6.222 4.032 -14.273 1.00 0.32 O ATOM 2625 CB GLN B 63 9.252 2.587 -14.295 1.00 0.44 C ATOM 2626 CG GLN B 63 10.123 2.320 -15.507 1.00 0.66 C ATOM 2627 CD GLN B 63 10.842 0.990 -15.419 1.00 0.76 C ATOM 2628 OE1 GLN B 63 10.316 -0.045 -15.832 1.00 1.33 O ATOM 2629 NE2 GLN B 63 12.049 1.009 -14.882 1.00 1.23 N ATOM 0 H GLN B 63 10.315 4.483 -13.148 1.00 0.34 H new ATOM 0 HA GLN B 63 8.494 4.342 -15.292 1.00 0.36 H new ATOM 0 HB2 GLN B 63 9.852 2.457 -13.394 1.00 0.44 H new ATOM 0 HB3 GLN B 63 8.459 1.840 -14.260 1.00 0.44 H new ATOM 0 HG2 GLN B 63 9.506 2.338 -16.405 1.00 0.66 H new ATOM 0 HG3 GLN B 63 10.856 3.120 -15.608 1.00 0.66 H new ATOM 0 HE21 GLN B 63 12.447 1.889 -14.553 1.00 1.23 H new ATOM 0 HE22 GLN B 63 12.583 0.144 -14.797 1.00 1.23 H new ATOM 2638 N VAL B 64 7.235 3.696 -12.292 1.00 0.26 N ATOM 2639 CA VAL B 64 5.980 3.591 -11.558 1.00 0.26 C ATOM 2640 C VAL B 64 5.202 4.907 -11.607 1.00 0.26 C ATOM 2641 O VAL B 64 3.968 4.905 -11.589 1.00 0.28 O ATOM 2642 CB VAL B 64 6.194 3.138 -10.092 1.00 0.28 C ATOM 2643 CG1 VAL B 64 6.818 4.235 -9.242 1.00 0.31 C ATOM 2644 CG2 VAL B 64 4.881 2.670 -9.486 1.00 0.30 C ATOM 0 H VAL B 64 8.072 3.600 -11.718 1.00 0.26 H new ATOM 0 HA VAL B 64 5.389 2.820 -12.053 1.00 0.26 H new ATOM 0 HB VAL B 64 6.895 2.303 -10.105 1.00 0.28 H new ATOM 0 HG11 VAL B 64 6.950 3.874 -8.222 1.00 0.31 H new ATOM 0 HG12 VAL B 64 7.787 4.511 -9.658 1.00 0.31 H new ATOM 0 HG13 VAL B 64 6.164 5.107 -9.236 1.00 0.31 H new ATOM 0 HG21 VAL B 64 5.048 2.355 -8.456 1.00 0.30 H new ATOM 0 HG22 VAL B 64 4.160 3.488 -9.503 1.00 0.30 H new ATOM 0 HG23 VAL B 64 4.492 1.831 -10.064 1.00 0.30 H new ATOM 2654 N VAL B 65 5.922 6.026 -11.688 1.00 0.29 N ATOM 2655 CA VAL B 65 5.289 7.337 -11.768 1.00 0.33 C ATOM 2656 C VAL B 65 4.560 7.473 -13.100 1.00 0.37 C ATOM 2657 O VAL B 65 3.451 8.001 -13.163 1.00 0.45 O ATOM 2658 CB VAL B 65 6.320 8.484 -11.601 1.00 0.40 C ATOM 2659 CG1 VAL B 65 5.776 9.806 -12.125 1.00 0.48 C ATOM 2660 CG2 VAL B 65 6.724 8.625 -10.143 1.00 0.39 C ATOM 0 H VAL B 65 6.942 6.048 -11.700 1.00 0.29 H new ATOM 0 HA VAL B 65 4.574 7.418 -10.949 1.00 0.33 H new ATOM 0 HB VAL B 65 7.199 8.226 -12.191 1.00 0.40 H new ATOM 0 HG11 VAL B 65 6.525 10.586 -11.992 1.00 0.48 H new ATOM 0 HG12 VAL B 65 5.539 9.708 -13.184 1.00 0.48 H new ATOM 0 HG13 VAL B 65 4.873 10.072 -11.575 1.00 0.48 H new ATOM 0 HG21 VAL B 65 7.448 9.434 -10.043 1.00 0.39 H new ATOM 0 HG22 VAL B 65 5.843 8.849 -9.541 1.00 0.39 H new ATOM 0 HG23 VAL B 65 7.171 7.693 -9.798 1.00 0.39 H new ATOM 2670 N LYS B 66 5.181 6.964 -14.156 1.00 0.37 N ATOM 2671 CA LYS B 66 4.592 7.010 -15.486 1.00 0.45 C ATOM 2672 C LYS B 66 3.445 6.010 -15.590 1.00 0.41 C ATOM 2673 O LYS B 66 2.524 6.186 -16.387 1.00 0.49 O ATOM 2674 CB LYS B 66 5.654 6.713 -16.545 1.00 0.57 C ATOM 2675 CG LYS B 66 6.760 7.757 -16.601 1.00 0.74 C ATOM 2676 CD LYS B 66 7.946 7.281 -17.425 1.00 0.67 C ATOM 2677 CE LYS B 66 7.632 7.283 -18.910 1.00 1.44 C ATOM 2678 NZ LYS B 66 8.781 6.798 -19.719 1.00 2.19 N ATOM 0 H LYS B 66 6.095 6.513 -14.116 1.00 0.37 H new ATOM 0 HA LYS B 66 4.198 8.011 -15.660 1.00 0.45 H new ATOM 0 HB2 LYS B 66 6.096 5.737 -16.343 1.00 0.57 H new ATOM 0 HB3 LYS B 66 5.175 6.649 -17.522 1.00 0.57 H new ATOM 0 HG2 LYS B 66 6.367 8.680 -17.029 1.00 0.74 H new ATOM 0 HG3 LYS B 66 7.091 7.990 -15.589 1.00 0.74 H new ATOM 0 HD2 LYS B 66 8.805 7.925 -17.233 1.00 0.67 H new ATOM 0 HD3 LYS B 66 8.226 6.275 -17.113 1.00 0.67 H new ATOM 0 HE2 LYS B 66 6.763 6.652 -19.098 1.00 1.44 H new ATOM 0 HE3 LYS B 66 7.367 8.293 -19.224 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 8.527 6.814 -20.727 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 9.603 7.415 -19.559 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 9.018 5.825 -19.437 1.00 2.19 H new ATOM 2692 N LEU B 67 3.513 4.955 -14.784 1.00 0.39 N ATOM 2693 CA LEU B 67 2.477 3.930 -14.765 1.00 0.43 C ATOM 2694 C LEU B 67 1.174 4.503 -14.220 1.00 0.62 C ATOM 2695 O LEU B 67 0.139 4.437 -14.882 1.00 1.30 O ATOM 2696 CB LEU B 67 2.920 2.735 -13.917 1.00 0.59 C ATOM 2697 CG LEU B 67 3.770 1.692 -14.648 1.00 0.54 C ATOM 2698 CD1 LEU B 67 4.400 0.726 -13.656 1.00 0.74 C ATOM 2699 CD2 LEU B 67 2.922 0.936 -15.661 1.00 0.79 C ATOM 0 H LEU B 67 4.280 4.788 -14.132 1.00 0.39 H new ATOM 0 HA LEU B 67 2.312 3.590 -15.787 1.00 0.43 H new ATOM 0 HB2 LEU B 67 3.486 3.107 -13.063 1.00 0.59 H new ATOM 0 HB3 LEU B 67 2.032 2.243 -13.521 1.00 0.59 H new ATOM 0 HG LEU B 67 4.570 2.208 -15.179 1.00 0.54 H new ATOM 0 HD11 LEU B 67 5.000 -0.008 -14.194 1.00 0.74 H new ATOM 0 HD12 LEU B 67 5.036 1.278 -12.964 1.00 0.74 H new ATOM 0 HD13 LEU B 67 3.616 0.214 -13.098 1.00 0.74 H new ATOM 0 HD21 LEU B 67 3.539 0.198 -16.173 1.00 0.79 H new ATOM 0 HD22 LEU B 67 2.104 0.431 -15.147 1.00 0.79 H new ATOM 0 HD23 LEU B 67 2.515 1.637 -16.390 1.00 0.79 H new ATOM 2711 N LYS B 68 1.248 5.070 -13.012 1.00 0.48 N ATOM 2712 CA LYS B 68 0.097 5.685 -12.341 1.00 0.55 C ATOM 2713 C LYS B 68 -1.031 4.688 -12.081 1.00 0.47 C ATOM 2714 O LYS B 68 -1.806 4.354 -12.977 1.00 0.50 O ATOM 2715 CB LYS B 68 -0.437 6.870 -13.149 1.00 0.69 C ATOM 2716 CG LYS B 68 0.342 8.154 -12.936 1.00 0.56 C ATOM 2717 CD LYS B 68 -0.165 9.260 -13.843 1.00 0.67 C ATOM 2718 CE LYS B 68 0.574 10.566 -13.608 1.00 0.69 C ATOM 2719 NZ LYS B 68 0.189 11.599 -14.603 1.00 1.04 N ATOM 0 H LYS B 68 2.111 5.116 -12.470 1.00 0.48 H new ATOM 0 HA LYS B 68 0.456 6.038 -11.374 1.00 0.55 H new ATOM 0 HB2 LYS B 68 -0.417 6.615 -14.208 1.00 0.69 H new ATOM 0 HB3 LYS B 68 -1.480 7.040 -12.882 1.00 0.69 H new ATOM 0 HG2 LYS B 68 0.257 8.466 -11.895 1.00 0.56 H new ATOM 0 HG3 LYS B 68 1.400 7.977 -13.130 1.00 0.56 H new ATOM 0 HD2 LYS B 68 -0.048 8.959 -14.884 1.00 0.67 H new ATOM 0 HD3 LYS B 68 -1.231 9.410 -13.672 1.00 0.67 H new ATOM 0 HE2 LYS B 68 0.360 10.930 -12.603 1.00 0.69 H new ATOM 0 HE3 LYS B 68 1.649 10.391 -13.661 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 1.027 11.885 -15.148 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 -0.527 11.209 -15.248 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 -0.203 12.427 -14.110 1.00 1.04 H new ATOM 2733 N GLY B 69 -1.125 4.222 -10.845 1.00 0.50 N ATOM 2734 CA GLY B 69 -2.177 3.290 -10.486 1.00 0.59 C ATOM 2735 C GLY B 69 -1.756 1.850 -10.653 1.00 0.54 C ATOM 2736 O GLY B 69 -2.590 0.944 -10.638 1.00 0.57 O ATOM 0 H GLY B 69 -0.493 4.471 -10.084 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -2.472 3.461 -9.451 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -3.055 3.482 -11.103 1.00 0.59 H new ATOM 2740 N GLN B 70 -0.461 1.635 -10.806 1.00 0.50 N ATOM 2741 CA GLN B 70 0.073 0.295 -10.974 1.00 0.46 C ATOM 2742 C GLN B 70 1.247 0.084 -10.027 1.00 0.38 C ATOM 2743 O GLN B 70 1.903 1.044 -9.620 1.00 0.37 O ATOM 2744 CB GLN B 70 0.504 0.074 -12.428 1.00 0.50 C ATOM 2745 CG GLN B 70 0.772 -1.383 -12.781 1.00 1.31 C ATOM 2746 CD GLN B 70 -0.346 -2.312 -12.345 1.00 1.89 C ATOM 2747 OE1 GLN B 70 -0.313 -2.874 -11.249 1.00 2.68 O ATOM 2748 NE2 GLN B 70 -1.346 -2.472 -13.192 1.00 2.32 N ATOM 0 H GLN B 70 0.242 2.374 -10.817 1.00 0.50 H new ATOM 0 HA GLN B 70 -0.704 -0.431 -10.734 1.00 0.46 H new ATOM 0 HB2 GLN B 70 -0.272 0.460 -13.089 1.00 0.50 H new ATOM 0 HB3 GLN B 70 1.405 0.656 -12.621 1.00 0.50 H new ATOM 0 HG2 GLN B 70 0.911 -1.471 -13.859 1.00 1.31 H new ATOM 0 HG3 GLN B 70 1.704 -1.700 -12.313 1.00 1.31 H new ATOM 0 HE21 GLN B 70 -1.336 -1.989 -14.090 1.00 2.32 H new ATOM 0 HE22 GLN B 70 -2.129 -3.079 -12.948 1.00 2.32 H new ATOM 2757 N VAL B 71 1.497 -1.166 -9.671 1.00 0.36 N ATOM 2758 CA VAL B 71 2.585 -1.497 -8.770 1.00 0.32 C ATOM 2759 C VAL B 71 3.784 -2.045 -9.542 1.00 0.31 C ATOM 2760 O VAL B 71 3.640 -2.898 -10.421 1.00 0.39 O ATOM 2761 CB VAL B 71 2.133 -2.517 -7.699 1.00 0.38 C ATOM 2762 CG1 VAL B 71 1.590 -3.787 -8.341 1.00 1.28 C ATOM 2763 CG2 VAL B 71 3.268 -2.843 -6.743 1.00 1.35 C ATOM 0 H VAL B 71 0.958 -1.969 -9.995 1.00 0.36 H new ATOM 0 HA VAL B 71 2.884 -0.578 -8.266 1.00 0.32 H new ATOM 0 HB VAL B 71 1.327 -2.058 -7.127 1.00 0.38 H new ATOM 0 HG11 VAL B 71 1.280 -4.484 -7.563 1.00 1.28 H new ATOM 0 HG12 VAL B 71 0.734 -3.540 -8.968 1.00 1.28 H new ATOM 0 HG13 VAL B 71 2.367 -4.247 -8.952 1.00 1.28 H new ATOM 0 HG21 VAL B 71 2.923 -3.562 -6.000 1.00 1.35 H new ATOM 0 HG22 VAL B 71 4.102 -3.269 -7.300 1.00 1.35 H new ATOM 0 HG23 VAL B 71 3.594 -1.932 -6.241 1.00 1.35 H new ATOM 2773 N LEU B 72 4.959 -1.527 -9.230 1.00 0.27 N ATOM 2774 CA LEU B 72 6.186 -1.965 -9.868 1.00 0.29 C ATOM 2775 C LEU B 72 7.193 -2.381 -8.805 1.00 0.31 C ATOM 2776 O LEU B 72 7.685 -1.550 -8.037 1.00 0.44 O ATOM 2777 CB LEU B 72 6.772 -0.854 -10.740 1.00 0.35 C ATOM 2778 CG LEU B 72 7.899 -1.297 -11.673 1.00 0.44 C ATOM 2779 CD1 LEU B 72 7.341 -2.083 -12.852 1.00 1.37 C ATOM 2780 CD2 LEU B 72 8.689 -0.093 -12.151 1.00 1.05 C ATOM 0 H LEU B 72 5.088 -0.795 -8.531 1.00 0.27 H new ATOM 0 HA LEU B 72 5.961 -2.818 -10.509 1.00 0.29 H new ATOM 0 HB2 LEU B 72 5.971 -0.422 -11.340 1.00 0.35 H new ATOM 0 HB3 LEU B 72 7.147 -0.062 -10.091 1.00 0.35 H new ATOM 0 HG LEU B 72 8.572 -1.952 -11.120 1.00 0.44 H new ATOM 0 HD11 LEU B 72 8.159 -2.389 -13.505 1.00 1.37 H new ATOM 0 HD12 LEU B 72 6.818 -2.967 -12.486 1.00 1.37 H new ATOM 0 HD13 LEU B 72 6.646 -1.456 -13.411 1.00 1.37 H new ATOM 0 HD21 LEU B 72 9.488 -0.423 -12.815 1.00 1.05 H new ATOM 0 HD22 LEU B 72 8.027 0.586 -12.689 1.00 1.05 H new ATOM 0 HD23 LEU B 72 9.119 0.424 -11.293 1.00 1.05 H new ATOM 2792 N SER B 73 7.476 -3.669 -8.747 1.00 0.27 N ATOM 2793 CA SER B 73 8.413 -4.200 -7.775 1.00 0.33 C ATOM 2794 C SER B 73 9.843 -4.155 -8.306 1.00 0.28 C ATOM 2795 O SER B 73 10.095 -4.478 -9.470 1.00 0.31 O ATOM 2796 CB SER B 73 8.030 -5.637 -7.428 1.00 0.48 C ATOM 2797 OG SER B 73 6.634 -5.751 -7.197 1.00 1.38 O ATOM 0 H SER B 73 7.068 -4.370 -9.365 1.00 0.27 H new ATOM 0 HA SER B 73 8.367 -3.582 -6.879 1.00 0.33 H new ATOM 0 HB2 SER B 73 8.323 -6.301 -8.241 1.00 0.48 H new ATOM 0 HB3 SER B 73 8.576 -5.958 -6.541 1.00 0.48 H new ATOM 0 HG SER B 73 6.413 -6.680 -6.978 1.00 1.38 H new ATOM 2803 N VAL B 74 10.766 -3.728 -7.453 1.00 0.29 N ATOM 2804 CA VAL B 74 12.175 -3.654 -7.805 1.00 0.28 C ATOM 2805 C VAL B 74 13.014 -4.387 -6.760 1.00 0.23 C ATOM 2806 O VAL B 74 12.923 -4.107 -5.564 1.00 0.24 O ATOM 2807 CB VAL B 74 12.657 -2.185 -7.954 1.00 0.34 C ATOM 2808 CG1 VAL B 74 12.262 -1.341 -6.748 1.00 0.35 C ATOM 2809 CG2 VAL B 74 14.162 -2.125 -8.175 1.00 0.41 C ATOM 0 H VAL B 74 10.558 -3.425 -6.502 1.00 0.29 H new ATOM 0 HA VAL B 74 12.303 -4.138 -8.773 1.00 0.28 H new ATOM 0 HB VAL B 74 12.162 -1.768 -8.831 1.00 0.34 H new ATOM 0 HG11 VAL B 74 12.616 -0.319 -6.887 1.00 0.35 H new ATOM 0 HG12 VAL B 74 11.177 -1.338 -6.645 1.00 0.35 H new ATOM 0 HG13 VAL B 74 12.711 -1.761 -5.848 1.00 0.35 H new ATOM 0 HG21 VAL B 74 14.474 -1.085 -8.276 1.00 0.41 H new ATOM 0 HG22 VAL B 74 14.673 -2.576 -7.324 1.00 0.41 H new ATOM 0 HG23 VAL B 74 14.418 -2.671 -9.083 1.00 0.41 H new ATOM 2819 N MET B 75 13.798 -5.352 -7.212 1.00 0.21 N ATOM 2820 CA MET B 75 14.643 -6.130 -6.320 1.00 0.20 C ATOM 2821 C MET B 75 16.065 -5.582 -6.314 1.00 0.20 C ATOM 2822 O MET B 75 16.745 -5.570 -7.345 1.00 0.24 O ATOM 2823 CB MET B 75 14.642 -7.603 -6.733 1.00 0.26 C ATOM 2824 CG MET B 75 15.418 -8.502 -5.784 1.00 0.29 C ATOM 2825 SD MET B 75 15.049 -10.251 -6.025 1.00 0.41 S ATOM 2826 CE MET B 75 16.213 -10.997 -4.888 1.00 0.41 C ATOM 0 H MET B 75 13.867 -5.616 -8.195 1.00 0.21 H new ATOM 0 HA MET B 75 14.240 -6.052 -5.310 1.00 0.20 H new ATOM 0 HB2 MET B 75 13.612 -7.954 -6.792 1.00 0.26 H new ATOM 0 HB3 MET B 75 15.067 -7.692 -7.733 1.00 0.26 H new ATOM 0 HG2 MET B 75 16.486 -8.337 -5.926 1.00 0.29 H new ATOM 0 HG3 MET B 75 15.186 -8.224 -4.756 1.00 0.29 H new ATOM 0 HE1 MET B 75 16.097 -12.081 -4.907 1.00 0.41 H new ATOM 0 HE2 MET B 75 17.229 -10.736 -5.184 1.00 0.41 H new ATOM 0 HE3 MET B 75 16.023 -10.630 -3.880 1.00 0.41 H new ATOM 2836 N PHE B 76 16.505 -5.131 -5.149 1.00 0.21 N ATOM 2837 CA PHE B 76 17.839 -4.573 -4.990 1.00 0.23 C ATOM 2838 C PHE B 76 18.376 -4.883 -3.597 1.00 0.22 C ATOM 2839 O PHE B 76 17.758 -5.634 -2.838 1.00 0.21 O ATOM 2840 CB PHE B 76 17.812 -3.055 -5.224 1.00 0.26 C ATOM 2841 CG PHE B 76 16.920 -2.305 -4.271 1.00 0.27 C ATOM 2842 CD1 PHE B 76 15.559 -2.192 -4.513 1.00 0.31 C ATOM 2843 CD2 PHE B 76 17.443 -1.713 -3.133 1.00 0.31 C ATOM 2844 CE1 PHE B 76 14.741 -1.505 -3.638 1.00 0.37 C ATOM 2845 CE2 PHE B 76 16.630 -1.026 -2.255 1.00 0.36 C ATOM 2846 CZ PHE B 76 15.277 -0.922 -2.507 1.00 0.38 C ATOM 0 H PHE B 76 15.951 -5.141 -4.292 1.00 0.21 H new ATOM 0 HA PHE B 76 18.499 -5.028 -5.729 1.00 0.23 H new ATOM 0 HB2 PHE B 76 18.827 -2.666 -5.138 1.00 0.26 H new ATOM 0 HB3 PHE B 76 17.481 -2.861 -6.244 1.00 0.26 H new ATOM 0 HD1 PHE B 76 15.134 -2.646 -5.396 1.00 0.31 H new ATOM 0 HD2 PHE B 76 18.501 -1.790 -2.930 1.00 0.31 H new ATOM 0 HE1 PHE B 76 13.683 -1.424 -3.838 1.00 0.37 H new ATOM 0 HE2 PHE B 76 17.052 -0.570 -1.372 1.00 0.36 H new ATOM 0 HZ PHE B 76 14.639 -0.386 -1.821 1.00 0.38 H new ATOM 2856 N ARG B 77 19.520 -4.304 -3.261 1.00 0.25 N ATOM 2857 CA ARG B 77 20.124 -4.516 -1.958 1.00 0.25 C ATOM 2858 C ARG B 77 20.034 -3.245 -1.120 1.00 0.23 C ATOM 2859 O ARG B 77 20.619 -2.218 -1.461 1.00 0.26 O ATOM 2860 CB ARG B 77 21.577 -4.967 -2.102 1.00 0.30 C ATOM 2861 CG ARG B 77 21.726 -6.475 -2.208 1.00 0.48 C ATOM 2862 CD ARG B 77 23.165 -6.882 -2.472 1.00 0.63 C ATOM 2863 NE ARG B 77 23.553 -6.658 -3.864 1.00 1.50 N ATOM 2864 CZ ARG B 77 24.703 -7.077 -4.390 1.00 1.87 C ATOM 2865 NH1 ARG B 77 25.570 -7.751 -3.647 1.00 1.59 N ATOM 2866 NH2 ARG B 77 24.983 -6.829 -5.658 1.00 2.97 N ATOM 0 H ARG B 77 20.047 -3.683 -3.875 1.00 0.25 H new ATOM 0 HA ARG B 77 19.574 -5.307 -1.447 1.00 0.25 H new ATOM 0 HB2 ARG B 77 22.009 -4.502 -2.988 1.00 0.30 H new ATOM 0 HB3 ARG B 77 22.148 -4.611 -1.245 1.00 0.30 H new ATOM 0 HG2 ARG B 77 21.380 -6.940 -1.285 1.00 0.48 H new ATOM 0 HG3 ARG B 77 21.090 -6.848 -3.011 1.00 0.48 H new ATOM 0 HD2 ARG B 77 23.827 -6.317 -1.816 1.00 0.63 H new ATOM 0 HD3 ARG B 77 23.295 -7.936 -2.225 1.00 0.63 H new ATOM 0 HE ARG B 77 22.905 -6.151 -4.467 1.00 1.50 H new ATOM 0 HH11 ARG B 77 25.357 -7.950 -2.669 1.00 1.59 H new ATOM 0 HH12 ARG B 77 26.450 -8.070 -4.053 1.00 1.59 H new ATOM 0 HH21 ARG B 77 24.318 -6.316 -6.236 1.00 2.97 H new ATOM 0 HH22 ARG B 77 25.864 -7.151 -6.058 1.00 2.97 H new ATOM 2880 N PHE B 78 19.286 -3.327 -0.033 1.00 0.24 N ATOM 2881 CA PHE B 78 19.090 -2.193 0.862 1.00 0.23 C ATOM 2882 C PHE B 78 20.038 -2.290 2.051 1.00 0.21 C ATOM 2883 O PHE B 78 20.406 -3.390 2.467 1.00 0.22 O ATOM 2884 CB PHE B 78 17.633 -2.167 1.342 1.00 0.27 C ATOM 2885 CG PHE B 78 17.204 -0.869 1.969 1.00 0.27 C ATOM 2886 CD1 PHE B 78 16.953 0.248 1.187 1.00 0.34 C ATOM 2887 CD2 PHE B 78 17.041 -0.770 3.340 1.00 0.33 C ATOM 2888 CE1 PHE B 78 16.550 1.439 1.763 1.00 0.37 C ATOM 2889 CE2 PHE B 78 16.637 0.416 3.921 1.00 0.37 C ATOM 2890 CZ PHE B 78 16.391 1.523 3.132 1.00 0.33 C ATOM 0 H PHE B 78 18.799 -4.175 0.255 1.00 0.24 H new ATOM 0 HA PHE B 78 19.306 -1.269 0.325 1.00 0.23 H new ATOM 0 HB2 PHE B 78 16.981 -2.379 0.495 1.00 0.27 H new ATOM 0 HB3 PHE B 78 17.488 -2.970 2.065 1.00 0.27 H new ATOM 0 HD1 PHE B 78 17.074 0.187 0.115 1.00 0.34 H new ATOM 0 HD2 PHE B 78 17.232 -1.631 3.963 1.00 0.33 H new ATOM 0 HE1 PHE B 78 16.360 2.302 1.143 1.00 0.37 H new ATOM 0 HE2 PHE B 78 16.513 0.478 4.992 1.00 0.37 H new ATOM 0 HZ PHE B 78 16.075 2.451 3.585 1.00 0.33 H new ATOM 2900 N ARG B 79 20.436 -1.142 2.586 1.00 0.25 N ATOM 2901 CA ARG B 79 21.338 -1.099 3.728 1.00 0.26 C ATOM 2902 C ARG B 79 20.574 -1.360 5.024 1.00 0.26 C ATOM 2903 O ARG B 79 19.567 -0.714 5.304 1.00 0.36 O ATOM 2904 CB ARG B 79 22.042 0.260 3.803 1.00 0.36 C ATOM 2905 CG ARG B 79 23.348 0.232 4.584 1.00 0.33 C ATOM 2906 CD ARG B 79 24.075 1.567 4.504 1.00 0.56 C ATOM 2907 NE ARG B 79 23.745 2.453 5.624 1.00 1.04 N ATOM 2908 CZ ARG B 79 23.559 3.768 5.508 1.00 1.28 C ATOM 2909 NH1 ARG B 79 23.648 4.352 4.320 1.00 1.06 N ATOM 2910 NH2 ARG B 79 23.276 4.500 6.580 1.00 2.22 N ATOM 0 H ARG B 79 20.146 -0.225 2.245 1.00 0.25 H new ATOM 0 HA ARG B 79 22.088 -1.879 3.599 1.00 0.26 H new ATOM 0 HB2 ARG B 79 22.242 0.612 2.791 1.00 0.36 H new ATOM 0 HB3 ARG B 79 21.369 0.983 4.264 1.00 0.36 H new ATOM 0 HG2 ARG B 79 23.144 -0.010 5.627 1.00 0.33 H new ATOM 0 HG3 ARG B 79 23.990 -0.557 4.193 1.00 0.33 H new ATOM 0 HD2 ARG B 79 25.151 1.391 4.489 1.00 0.56 H new ATOM 0 HD3 ARG B 79 23.819 2.061 3.567 1.00 0.56 H new ATOM 0 HE ARG B 79 23.652 2.037 6.551 1.00 1.04 H new ATOM 0 HH11 ARG B 79 23.859 3.795 3.492 1.00 1.06 H new ATOM 0 HH12 ARG B 79 23.505 5.358 4.234 1.00 1.06 H new ATOM 0 HH21 ARG B 79 23.200 4.056 7.495 1.00 2.22 H new ATOM 0 HH22 ARG B 79 23.134 5.506 6.488 1.00 2.22 H new ATOM 2924 N SER B 80 21.050 -2.318 5.801 1.00 0.25 N ATOM 2925 CA SER B 80 20.419 -2.653 7.066 1.00 0.33 C ATOM 2926 C SER B 80 21.064 -1.869 8.201 1.00 0.32 C ATOM 2927 O SER B 80 21.966 -1.057 7.976 1.00 0.32 O ATOM 2928 CB SER B 80 20.558 -4.149 7.345 1.00 0.46 C ATOM 2929 OG SER B 80 21.892 -4.480 7.700 1.00 1.06 O ATOM 0 H SER B 80 21.873 -2.878 5.578 1.00 0.25 H new ATOM 0 HA SER B 80 19.362 -2.393 7.002 1.00 0.33 H new ATOM 0 HB2 SER B 80 19.882 -4.436 8.150 1.00 0.46 H new ATOM 0 HB3 SER B 80 20.262 -4.716 6.462 1.00 0.46 H new ATOM 0 HG SER B 80 21.919 -5.393 8.055 1.00 1.06 H new ATOM 2935 N LYS B 81 20.605 -2.121 9.423 1.00 0.35 N ATOM 2936 CA LYS B 81 21.160 -1.468 10.602 1.00 0.37 C ATOM 2937 C LYS B 81 22.580 -1.979 10.845 1.00 0.40 C ATOM 2938 O LYS B 81 23.367 -1.363 11.561 1.00 0.48 O ATOM 2939 CB LYS B 81 20.277 -1.741 11.825 1.00 0.41 C ATOM 2940 CG LYS B 81 20.611 -0.888 13.041 1.00 0.45 C ATOM 2941 CD LYS B 81 20.236 0.572 12.829 1.00 0.47 C ATOM 2942 CE LYS B 81 20.316 1.359 14.127 1.00 0.67 C ATOM 2943 NZ LYS B 81 20.071 2.811 13.923 1.00 1.69 N ATOM 0 H LYS B 81 19.848 -2.775 9.622 1.00 0.35 H new ATOM 0 HA LYS B 81 21.191 -0.391 10.436 1.00 0.37 H new ATOM 0 HB2 LYS B 81 19.235 -1.572 11.552 1.00 0.41 H new ATOM 0 HB3 LYS B 81 20.368 -2.793 12.097 1.00 0.41 H new ATOM 0 HG2 LYS B 81 20.084 -1.276 13.913 1.00 0.45 H new ATOM 0 HG3 LYS B 81 21.677 -0.962 13.255 1.00 0.45 H new ATOM 0 HD2 LYS B 81 20.903 1.017 12.090 1.00 0.47 H new ATOM 0 HD3 LYS B 81 19.225 0.635 12.425 1.00 0.47 H new ATOM 0 HE2 LYS B 81 19.585 0.965 14.833 1.00 0.67 H new ATOM 0 HE3 LYS B 81 21.300 1.218 14.574 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 19.867 3.261 14.838 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 20.915 3.250 13.502 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 19.260 2.940 13.285 1.00 1.69 H new ATOM 2957 N ASN B 82 22.898 -3.108 10.217 1.00 0.39 N ATOM 2958 CA ASN B 82 24.217 -3.723 10.335 1.00 0.45 C ATOM 2959 C ASN B 82 25.130 -3.212 9.230 1.00 0.43 C ATOM 2960 O ASN B 82 26.251 -3.696 9.067 1.00 0.50 O ATOM 2961 CB ASN B 82 24.119 -5.248 10.227 1.00 0.53 C ATOM 2962 CG ASN B 82 23.221 -5.875 11.274 1.00 0.95 C ATOM 2963 OD1 ASN B 82 23.133 -5.405 12.410 1.00 1.75 O ATOM 2964 ND2 ASN B 82 22.532 -6.939 10.891 1.00 0.81 N ATOM 0 H ASN B 82 22.253 -3.620 9.615 1.00 0.39 H new ATOM 0 HA ASN B 82 24.625 -3.458 11.310 1.00 0.45 H new ATOM 0 HB2 ASN B 82 23.746 -5.510 9.237 1.00 0.53 H new ATOM 0 HB3 ASN B 82 25.118 -5.675 10.315 1.00 0.53 H new ATOM 0 HD21 ASN B 82 21.900 -7.400 11.546 1.00 0.81 H new ATOM 0 HD22 ASN B 82 22.633 -7.297 9.941 1.00 0.81 H new ATOM 2971 N GLN B 83 24.620 -2.250 8.457 1.00 0.37 N ATOM 2972 CA GLN B 83 25.358 -1.649 7.345 1.00 0.40 C ATOM 2973 C GLN B 83 25.624 -2.675 6.249 1.00 0.37 C ATOM 2974 O GLN B 83 26.553 -2.527 5.450 1.00 0.46 O ATOM 2975 CB GLN B 83 26.671 -1.022 7.831 1.00 0.53 C ATOM 2976 CG GLN B 83 26.568 0.474 8.100 1.00 0.63 C ATOM 2977 CD GLN B 83 25.258 0.867 8.763 1.00 0.90 C ATOM 2978 OE1 GLN B 83 24.284 1.198 8.087 1.00 1.62 O ATOM 2979 NE2 GLN B 83 25.219 0.826 10.085 1.00 0.87 N ATOM 0 H GLN B 83 23.684 -1.866 8.585 1.00 0.37 H new ATOM 0 HA GLN B 83 24.740 -0.856 6.925 1.00 0.40 H new ATOM 0 HB2 GLN B 83 26.989 -1.526 8.744 1.00 0.53 H new ATOM 0 HB3 GLN B 83 27.446 -1.196 7.084 1.00 0.53 H new ATOM 0 HG2 GLN B 83 27.398 0.782 8.736 1.00 0.63 H new ATOM 0 HG3 GLN B 83 26.670 1.015 7.159 1.00 0.63 H new ATOM 0 HE21 GLN B 83 26.047 0.547 10.611 1.00 0.87 H new ATOM 0 HE22 GLN B 83 24.361 1.074 10.578 1.00 0.87 H new ATOM 2988 N GLU B 84 24.795 -3.709 6.211 1.00 0.37 N ATOM 2989 CA GLU B 84 24.925 -4.756 5.213 1.00 0.38 C ATOM 2990 C GLU B 84 23.915 -4.522 4.098 1.00 0.31 C ATOM 2991 O GLU B 84 22.992 -3.722 4.253 1.00 0.42 O ATOM 2992 CB GLU B 84 24.713 -6.138 5.850 1.00 0.53 C ATOM 2993 CG GLU B 84 23.260 -6.584 5.903 1.00 1.22 C ATOM 2994 CD GLU B 84 22.981 -7.529 7.051 1.00 2.08 C ATOM 2995 OE1 GLU B 84 23.339 -8.721 6.952 1.00 2.45 O ATOM 2996 OE2 GLU B 84 22.398 -7.083 8.061 1.00 2.78 O ATOM 0 H GLU B 84 24.023 -3.843 6.864 1.00 0.37 H new ATOM 0 HA GLU B 84 25.932 -4.728 4.796 1.00 0.38 H new ATOM 0 HB2 GLU B 84 25.288 -6.876 5.290 1.00 0.53 H new ATOM 0 HB3 GLU B 84 25.114 -6.124 6.863 1.00 0.53 H new ATOM 0 HG2 GLU B 84 22.618 -5.708 5.995 1.00 1.22 H new ATOM 0 HG3 GLU B 84 23.000 -7.073 4.964 1.00 1.22 H new ATOM 3003 N TRP B 85 24.093 -5.210 2.982 1.00 0.32 N ATOM 3004 CA TRP B 85 23.189 -5.072 1.851 1.00 0.33 C ATOM 3005 C TRP B 85 22.294 -6.300 1.745 1.00 0.33 C ATOM 3006 O TRP B 85 22.764 -7.395 1.431 1.00 0.45 O ATOM 3007 CB TRP B 85 23.985 -4.884 0.559 1.00 0.41 C ATOM 3008 CG TRP B 85 24.992 -3.781 0.648 1.00 0.42 C ATOM 3009 CD1 TRP B 85 26.351 -3.912 0.702 1.00 0.66 C ATOM 3010 CD2 TRP B 85 24.722 -2.376 0.711 1.00 0.50 C ATOM 3011 NE1 TRP B 85 26.939 -2.674 0.790 1.00 0.63 N ATOM 3012 CE2 TRP B 85 25.961 -1.716 0.795 1.00 0.50 C ATOM 3013 CE3 TRP B 85 23.552 -1.613 0.699 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 26.063 -0.331 0.869 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 23.654 -0.237 0.773 1.00 1.10 C ATOM 3016 CH2 TRP B 85 24.901 0.391 0.854 1.00 0.97 C ATOM 0 H TRP B 85 24.856 -5.871 2.835 1.00 0.32 H new ATOM 0 HA TRP B 85 22.563 -4.193 2.006 1.00 0.33 H new ATOM 0 HB2 TRP B 85 24.495 -5.816 0.314 1.00 0.41 H new ATOM 0 HB3 TRP B 85 23.296 -4.674 -0.259 1.00 0.41 H new ATOM 0 HD1 TRP B 85 26.884 -4.851 0.679 1.00 0.66 H new ATOM 0 HE1 TRP B 85 27.942 -2.497 0.843 1.00 0.63 H new ATOM 0 HE3 TRP B 85 22.585 -2.090 0.633 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 27.024 0.157 0.936 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 22.756 0.363 0.768 1.00 1.10 H new ATOM 0 HH2 TRP B 85 24.948 1.469 0.906 1.00 0.97 H new ATOM 3027 N LEU B 86 21.010 -6.119 2.011 1.00 0.28 N ATOM 3028 CA LEU B 86 20.060 -7.223 1.958 1.00 0.29 C ATOM 3029 C LEU B 86 19.197 -7.161 0.702 1.00 0.26 C ATOM 3030 O LEU B 86 18.820 -6.080 0.246 1.00 0.28 O ATOM 3031 CB LEU B 86 19.178 -7.234 3.214 1.00 0.34 C ATOM 3032 CG LEU B 86 18.623 -5.874 3.656 1.00 0.42 C ATOM 3033 CD1 LEU B 86 17.294 -5.576 2.975 1.00 0.96 C ATOM 3034 CD2 LEU B 86 18.467 -5.836 5.167 1.00 1.03 C ATOM 0 H LEU B 86 20.601 -5.220 2.266 1.00 0.28 H new ATOM 0 HA LEU B 86 20.633 -8.150 1.921 1.00 0.29 H new ATOM 0 HB2 LEU B 86 18.339 -7.907 3.039 1.00 0.34 H new ATOM 0 HB3 LEU B 86 19.757 -7.653 4.037 1.00 0.34 H new ATOM 0 HG LEU B 86 19.333 -5.103 3.356 1.00 0.42 H new ATOM 0 HD11 LEU B 86 16.924 -4.606 3.307 1.00 0.96 H new ATOM 0 HD12 LEU B 86 17.434 -5.560 1.894 1.00 0.96 H new ATOM 0 HD13 LEU B 86 16.570 -6.348 3.235 1.00 0.96 H new ATOM 0 HD21 LEU B 86 18.072 -4.865 5.468 1.00 1.03 H new ATOM 0 HD22 LEU B 86 17.779 -6.621 5.482 1.00 1.03 H new ATOM 0 HD23 LEU B 86 19.438 -5.994 5.637 1.00 1.03 H new ATOM 3046 N TRP B 87 18.893 -8.329 0.153 1.00 0.28 N ATOM 3047 CA TRP B 87 18.070 -8.435 -1.043 1.00 0.29 C ATOM 3048 C TRP B 87 16.598 -8.254 -0.696 1.00 0.29 C ATOM 3049 O TRP B 87 15.973 -9.134 -0.096 1.00 0.39 O ATOM 3050 CB TRP B 87 18.275 -9.792 -1.716 1.00 0.33 C ATOM 3051 CG TRP B 87 19.597 -9.924 -2.405 1.00 0.38 C ATOM 3052 CD1 TRP B 87 20.738 -10.473 -1.898 1.00 0.47 C ATOM 3053 CD2 TRP B 87 19.910 -9.501 -3.733 1.00 0.40 C ATOM 3054 NE1 TRP B 87 21.743 -10.419 -2.834 1.00 0.53 N ATOM 3055 CE2 TRP B 87 21.259 -9.827 -3.968 1.00 0.48 C ATOM 3056 CE3 TRP B 87 19.181 -8.878 -4.747 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 21.891 -9.553 -5.177 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 19.808 -8.607 -5.946 1.00 0.50 C ATOM 3059 CH2 TRP B 87 21.151 -8.942 -6.153 1.00 0.53 C ATOM 0 H TRP B 87 19.208 -9.226 0.522 1.00 0.28 H new ATOM 0 HA TRP B 87 18.372 -7.647 -1.733 1.00 0.29 H new ATOM 0 HB2 TRP B 87 18.185 -10.578 -0.966 1.00 0.33 H new ATOM 0 HB3 TRP B 87 17.478 -9.952 -2.442 1.00 0.33 H new ATOM 0 HD1 TRP B 87 20.837 -10.889 -0.906 1.00 0.47 H new ATOM 0 HE1 TRP B 87 22.694 -10.764 -2.704 1.00 0.53 H new ATOM 0 HE3 TRP B 87 18.145 -8.613 -4.596 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 22.927 -9.813 -5.339 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 19.253 -8.128 -6.739 1.00 0.50 H new ATOM 0 HH2 TRP B 87 21.613 -8.714 -7.102 1.00 0.53 H new ATOM 3070 N MET B 88 16.052 -7.116 -1.079 1.00 0.31 N ATOM 3071 CA MET B 88 14.658 -6.812 -0.805 1.00 0.39 C ATOM 3072 C MET B 88 13.951 -6.377 -2.081 1.00 0.37 C ATOM 3073 O MET B 88 14.554 -5.744 -2.950 1.00 0.40 O ATOM 3074 CB MET B 88 14.561 -5.719 0.264 1.00 0.52 C ATOM 3075 CG MET B 88 13.173 -5.563 0.864 1.00 0.73 C ATOM 3076 SD MET B 88 13.200 -4.716 2.458 1.00 1.53 S ATOM 3077 CE MET B 88 13.838 -3.107 1.985 1.00 0.91 C ATOM 0 H MET B 88 16.553 -6.384 -1.582 1.00 0.31 H new ATOM 0 HA MET B 88 14.167 -7.710 -0.431 1.00 0.39 H new ATOM 0 HB2 MET B 88 15.268 -5.943 1.063 1.00 0.52 H new ATOM 0 HB3 MET B 88 14.865 -4.768 -0.174 1.00 0.52 H new ATOM 0 HG2 MET B 88 12.542 -5.007 0.171 1.00 0.73 H new ATOM 0 HG3 MET B 88 12.721 -6.547 0.987 1.00 0.73 H new ATOM 0 HE1 MET B 88 13.697 -2.404 2.806 1.00 0.91 H new ATOM 0 HE2 MET B 88 14.901 -3.190 1.757 1.00 0.91 H new ATOM 0 HE3 MET B 88 13.305 -2.749 1.105 1.00 0.91 H new ATOM 3087 N ARG B 89 12.685 -6.743 -2.205 1.00 0.36 N ATOM 3088 CA ARG B 89 11.900 -6.386 -3.374 1.00 0.37 C ATOM 3089 C ARG B 89 10.887 -5.309 -3.014 1.00 0.36 C ATOM 3090 O ARG B 89 9.848 -5.591 -2.411 1.00 0.42 O ATOM 3091 CB ARG B 89 11.182 -7.612 -3.938 1.00 0.44 C ATOM 3092 CG ARG B 89 10.450 -7.337 -5.240 1.00 0.58 C ATOM 3093 CD ARG B 89 9.378 -8.377 -5.500 1.00 0.97 C ATOM 3094 NE ARG B 89 8.402 -8.433 -4.411 1.00 2.01 N ATOM 3095 CZ ARG B 89 7.503 -9.406 -4.269 1.00 2.63 C ATOM 3096 NH1 ARG B 89 7.413 -10.374 -5.176 1.00 2.41 N ATOM 3097 NH2 ARG B 89 6.681 -9.397 -3.231 1.00 3.80 N ATOM 0 H ARG B 89 12.179 -7.289 -1.508 1.00 0.36 H new ATOM 0 HA ARG B 89 12.576 -6.000 -4.137 1.00 0.37 H new ATOM 0 HB2 ARG B 89 11.910 -8.407 -4.100 1.00 0.44 H new ATOM 0 HB3 ARG B 89 10.469 -7.978 -3.199 1.00 0.44 H new ATOM 0 HG2 ARG B 89 9.997 -6.346 -5.203 1.00 0.58 H new ATOM 0 HG3 ARG B 89 11.162 -7.331 -6.066 1.00 0.58 H new ATOM 0 HD2 ARG B 89 8.867 -8.147 -6.435 1.00 0.97 H new ATOM 0 HD3 ARG B 89 9.842 -9.355 -5.623 1.00 0.97 H new ATOM 0 HE ARG B 89 8.410 -7.683 -3.720 1.00 2.01 H new ATOM 0 HH11 ARG B 89 8.034 -10.374 -5.985 1.00 2.41 H new ATOM 0 HH12 ARG B 89 6.723 -11.117 -5.063 1.00 2.41 H new ATOM 0 HH21 ARG B 89 6.737 -8.646 -2.543 1.00 3.80 H new ATOM 0 HH22 ARG B 89 5.992 -10.141 -3.120 1.00 3.80 H new ATOM 3111 N THR B 90 11.196 -4.082 -3.378 1.00 0.33 N ATOM 3112 CA THR B 90 10.331 -2.954 -3.094 1.00 0.34 C ATOM 3113 C THR B 90 9.272 -2.785 -4.181 1.00 0.31 C ATOM 3114 O THR B 90 9.583 -2.436 -5.318 1.00 0.34 O ATOM 3115 CB THR B 90 11.160 -1.664 -2.965 1.00 0.38 C ATOM 3116 OG1 THR B 90 12.137 -1.826 -1.929 1.00 0.43 O ATOM 3117 CG2 THR B 90 10.276 -0.465 -2.659 1.00 0.43 C ATOM 0 H THR B 90 12.051 -3.838 -3.878 1.00 0.33 H new ATOM 0 HA THR B 90 9.824 -3.150 -2.149 1.00 0.34 H new ATOM 0 HB THR B 90 11.657 -1.479 -3.917 1.00 0.38 H new ATOM 0 HG1 THR B 90 11.759 -1.533 -1.074 1.00 0.43 H new ATOM 0 HG21 THR B 90 10.893 0.430 -2.574 1.00 0.43 H new ATOM 0 HG22 THR B 90 9.552 -0.332 -3.463 1.00 0.43 H new ATOM 0 HG23 THR B 90 9.748 -0.632 -1.720 1.00 0.43 H new ATOM 3125 N SER B 91 8.027 -3.063 -3.835 1.00 0.28 N ATOM 3126 CA SER B 91 6.926 -2.926 -4.773 1.00 0.27 C ATOM 3127 C SER B 91 6.312 -1.537 -4.647 1.00 0.23 C ATOM 3128 O SER B 91 5.534 -1.273 -3.734 1.00 0.28 O ATOM 3129 CB SER B 91 5.884 -4.007 -4.504 1.00 0.36 C ATOM 3130 OG SER B 91 6.502 -5.282 -4.409 1.00 0.97 O ATOM 0 H SER B 91 7.752 -3.386 -2.907 1.00 0.28 H new ATOM 0 HA SER B 91 7.295 -3.048 -5.791 1.00 0.27 H new ATOM 0 HB2 SER B 91 5.352 -3.785 -3.579 1.00 0.36 H new ATOM 0 HB3 SER B 91 5.144 -4.014 -5.304 1.00 0.36 H new ATOM 0 HG SER B 91 6.572 -5.679 -5.302 1.00 0.97 H new ATOM 3136 N SER B 92 6.677 -0.653 -5.559 1.00 0.23 N ATOM 3137 CA SER B 92 6.187 0.716 -5.533 1.00 0.28 C ATOM 3138 C SER B 92 4.831 0.841 -6.225 1.00 0.26 C ATOM 3139 O SER B 92 4.625 0.302 -7.308 1.00 0.36 O ATOM 3140 CB SER B 92 7.210 1.642 -6.191 1.00 0.36 C ATOM 3141 OG SER B 92 8.493 1.471 -5.605 1.00 1.27 O ATOM 0 H SER B 92 7.313 -0.859 -6.329 1.00 0.23 H new ATOM 0 HA SER B 92 6.050 1.009 -4.492 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.262 1.433 -7.260 1.00 0.36 H new ATOM 0 HB3 SER B 92 6.891 2.679 -6.084 1.00 0.36 H new ATOM 0 HG SER B 92 8.445 1.676 -4.648 1.00 1.27 H new ATOM 3147 N PHE B 93 3.916 1.545 -5.577 1.00 0.25 N ATOM 3148 CA PHE B 93 2.578 1.769 -6.098 1.00 0.27 C ATOM 3149 C PHE B 93 2.328 3.270 -6.213 1.00 0.25 C ATOM 3150 O PHE B 93 2.592 4.022 -5.273 1.00 0.25 O ATOM 3151 CB PHE B 93 1.544 1.136 -5.164 1.00 0.33 C ATOM 3152 CG PHE B 93 0.357 0.543 -5.874 1.00 0.37 C ATOM 3153 CD1 PHE B 93 -0.408 1.305 -6.744 1.00 0.35 C ATOM 3154 CD2 PHE B 93 0.006 -0.780 -5.666 1.00 0.47 C ATOM 3155 CE1 PHE B 93 -1.500 0.758 -7.389 1.00 0.41 C ATOM 3156 CE2 PHE B 93 -1.084 -1.332 -6.310 1.00 0.54 C ATOM 3157 CZ PHE B 93 -1.838 -0.562 -7.174 1.00 0.50 C ATOM 0 H PHE B 93 4.083 1.979 -4.669 1.00 0.25 H new ATOM 0 HA PHE B 93 2.488 1.311 -7.083 1.00 0.27 H new ATOM 0 HB2 PHE B 93 2.029 0.356 -4.577 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.193 1.892 -4.462 1.00 0.33 H new ATOM 0 HD1 PHE B 93 -0.147 2.338 -6.919 1.00 0.35 H new ATOM 0 HD2 PHE B 93 0.592 -1.388 -4.992 1.00 0.47 H new ATOM 0 HE1 PHE B 93 -2.089 1.364 -8.062 1.00 0.41 H new ATOM 0 HE2 PHE B 93 -1.347 -2.365 -6.138 1.00 0.54 H new ATOM 0 HZ PHE B 93 -2.690 -0.992 -7.680 1.00 0.50 H new ATOM 3167 N THR B 94 1.843 3.708 -7.362 1.00 0.30 N ATOM 3168 CA THR B 94 1.573 5.121 -7.578 1.00 0.31 C ATOM 3169 C THR B 94 0.259 5.549 -6.935 1.00 0.33 C ATOM 3170 O THR B 94 -0.814 5.110 -7.348 1.00 0.37 O ATOM 3171 CB THR B 94 1.518 5.456 -9.076 1.00 0.38 C ATOM 3172 OG1 THR B 94 1.844 4.294 -9.853 1.00 0.59 O ATOM 3173 CG2 THR B 94 2.477 6.587 -9.406 1.00 0.37 C ATOM 0 H THR B 94 1.628 3.108 -8.159 1.00 0.30 H new ATOM 0 HA THR B 94 2.394 5.665 -7.111 1.00 0.31 H new ATOM 0 HB THR B 94 0.506 5.777 -9.321 1.00 0.38 H new ATOM 0 HG1 THR B 94 2.540 4.521 -10.505 1.00 0.59 H new ATOM 0 HG21 THR B 94 2.424 6.810 -10.472 1.00 0.37 H new ATOM 0 HG22 THR B 94 2.203 7.474 -8.835 1.00 0.37 H new ATOM 0 HG23 THR B 94 3.493 6.289 -9.148 1.00 0.37 H new ATOM 3181 N PHE B 95 0.355 6.404 -5.926 1.00 0.35 N ATOM 3182 CA PHE B 95 -0.821 6.917 -5.238 1.00 0.41 C ATOM 3183 C PHE B 95 -1.319 8.163 -5.964 1.00 0.45 C ATOM 3184 O PHE B 95 -0.914 9.286 -5.651 1.00 0.49 O ATOM 3185 CB PHE B 95 -0.472 7.238 -3.779 1.00 0.48 C ATOM 3186 CG PHE B 95 -1.654 7.536 -2.903 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -2.402 6.507 -2.357 1.00 0.95 C ATOM 3188 CD2 PHE B 95 -2.003 8.843 -2.609 1.00 0.91 C ATOM 3189 CE1 PHE B 95 -3.481 6.777 -1.539 1.00 1.03 C ATOM 3190 CE2 PHE B 95 -3.079 9.119 -1.790 1.00 0.98 C ATOM 3191 CZ PHE B 95 -3.818 8.086 -1.254 1.00 0.78 C ATOM 0 H PHE B 95 1.241 6.758 -5.564 1.00 0.35 H new ATOM 0 HA PHE B 95 -1.611 6.166 -5.241 1.00 0.41 H new ATOM 0 HB2 PHE B 95 0.073 6.394 -3.356 1.00 0.48 H new ATOM 0 HB3 PHE B 95 0.202 8.095 -3.761 1.00 0.48 H new ATOM 0 HD1 PHE B 95 -2.139 5.482 -2.573 1.00 0.95 H new ATOM 0 HD2 PHE B 95 -1.427 9.656 -3.025 1.00 0.91 H new ATOM 0 HE1 PHE B 95 -4.061 5.966 -1.123 1.00 1.03 H new ATOM 0 HE2 PHE B 95 -3.342 10.143 -1.569 1.00 0.98 H new ATOM 0 HZ PHE B 95 -4.660 8.300 -0.612 1.00 0.78 H new ATOM 3201 N GLN B 96 -2.171 7.954 -6.958 1.00 0.51 N ATOM 3202 CA GLN B 96 -2.704 9.052 -7.754 1.00 0.56 C ATOM 3203 C GLN B 96 -4.193 9.263 -7.505 1.00 0.63 C ATOM 3204 O GLN B 96 -4.876 8.396 -6.961 1.00 0.71 O ATOM 3205 CB GLN B 96 -2.449 8.817 -9.252 1.00 0.60 C ATOM 3206 CG GLN B 96 -2.202 7.366 -9.635 1.00 0.74 C ATOM 3207 CD GLN B 96 -3.429 6.490 -9.472 1.00 0.88 C ATOM 3208 OE1 GLN B 96 -3.629 5.872 -8.428 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -4.257 6.430 -10.502 1.00 0.91 N ATOM 0 H GLN B 96 -2.509 7.032 -7.233 1.00 0.51 H new ATOM 0 HA GLN B 96 -2.180 9.956 -7.443 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -3.306 9.186 -9.815 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -1.588 9.411 -9.557 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -1.867 7.322 -10.671 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -1.394 6.967 -9.022 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -4.054 6.958 -11.351 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -5.098 5.855 -10.448 1.00 0.91 H new ATOM 3218 N ASN B 97 -4.681 10.424 -7.917 1.00 0.73 N ATOM 3219 CA ASN B 97 -6.084 10.780 -7.755 1.00 0.91 C ATOM 3220 C ASN B 97 -6.808 10.704 -9.095 1.00 0.97 C ATOM 3221 O ASN B 97 -6.228 10.995 -10.141 1.00 0.97 O ATOM 3222 CB ASN B 97 -6.218 12.189 -7.167 1.00 1.06 C ATOM 3223 CG ASN B 97 -6.262 12.190 -5.651 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -7.333 12.101 -5.046 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -5.101 12.301 -5.027 1.00 1.65 N ATOM 0 H ASN B 97 -4.119 11.144 -8.371 1.00 0.73 H new ATOM 0 HA ASN B 97 -6.540 10.069 -7.066 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -5.379 12.799 -7.502 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -7.125 12.654 -7.553 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -5.069 12.315 -4.008 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -4.237 12.372 -5.565 1.00 1.65 H new ATOM 3232 N PRO B 98 -8.089 10.314 -9.081 1.00 1.12 N ATOM 3233 CA PRO B 98 -8.893 10.183 -10.293 1.00 1.28 C ATOM 3234 C PRO B 98 -9.581 11.484 -10.706 1.00 1.35 C ATOM 3235 O PRO B 98 -10.772 11.489 -11.021 1.00 1.41 O ATOM 3236 CB PRO B 98 -9.925 9.138 -9.877 1.00 1.50 C ATOM 3237 CG PRO B 98 -10.155 9.399 -8.427 1.00 1.51 C ATOM 3238 CD PRO B 98 -8.860 9.949 -7.878 1.00 1.26 C ATOM 0 HA PRO B 98 -8.292 9.915 -11.162 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -10.847 9.240 -10.450 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -9.556 8.126 -10.045 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -10.969 10.110 -8.285 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -10.438 8.483 -7.908 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -9.033 10.814 -7.237 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -8.334 9.207 -7.277 1.00 1.26 H new ATOM 3246 N TYR B 99 -8.837 12.582 -10.714 1.00 1.39 N ATOM 3247 CA TYR B 99 -9.404 13.870 -11.093 1.00 1.52 C ATOM 3248 C TYR B 99 -8.579 14.533 -12.187 1.00 1.54 C ATOM 3249 O TYR B 99 -9.075 14.779 -13.285 1.00 1.80 O ATOM 3250 CB TYR B 99 -9.495 14.799 -9.883 1.00 1.68 C ATOM 3251 CG TYR B 99 -10.124 14.156 -8.672 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -11.478 13.844 -8.641 1.00 1.83 C ATOM 3253 CD2 TYR B 99 -9.355 13.854 -7.561 1.00 2.26 C ATOM 3254 CE1 TYR B 99 -12.046 13.249 -7.530 1.00 2.10 C ATOM 3255 CE2 TYR B 99 -9.913 13.262 -6.452 1.00 2.61 C ATOM 3256 CZ TYR B 99 -11.255 12.961 -6.438 1.00 2.50 C ATOM 3257 OH TYR B 99 -11.803 12.370 -5.325 1.00 2.90 O ATOM 0 H TYR B 99 -7.848 12.608 -10.465 1.00 1.39 H new ATOM 0 HA TYR B 99 -10.408 13.686 -11.477 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -8.494 15.142 -9.623 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -10.073 15.682 -10.156 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -12.096 14.070 -9.498 1.00 1.83 H new ATOM 0 HD2 TYR B 99 -8.300 14.087 -7.565 1.00 2.26 H new ATOM 0 HE1 TYR B 99 -13.100 13.012 -7.517 1.00 2.10 H new ATOM 0 HE2 TYR B 99 -9.298 13.034 -5.594 1.00 2.61 H new ATOM 0 HH TYR B 99 -12.062 11.449 -5.538 1.00 2.90 H new ATOM 3267 N SER B 100 -7.319 14.806 -11.890 1.00 1.37 N ATOM 3268 CA SER B 100 -6.433 15.456 -12.844 1.00 1.42 C ATOM 3269 C SER B 100 -5.215 14.586 -13.138 1.00 1.24 C ATOM 3270 O SER B 100 -4.195 15.080 -13.630 1.00 1.29 O ATOM 3271 CB SER B 100 -5.989 16.816 -12.295 1.00 1.52 C ATOM 3272 OG SER B 100 -6.771 17.197 -11.170 1.00 2.27 O ATOM 0 H SER B 100 -6.885 14.587 -10.993 1.00 1.37 H new ATOM 0 HA SER B 100 -6.978 15.603 -13.777 1.00 1.42 H new ATOM 0 HB2 SER B 100 -4.937 16.771 -12.012 1.00 1.52 H new ATOM 0 HB3 SER B 100 -6.077 17.572 -13.075 1.00 1.52 H new ATOM 0 HG SER B 100 -6.248 17.071 -10.351 1.00 2.27 H new ATOM 3278 N ASP B 101 -5.330 13.292 -12.830 1.00 1.08 N ATOM 3279 CA ASP B 101 -4.245 12.335 -13.052 1.00 0.96 C ATOM 3280 C ASP B 101 -3.013 12.745 -12.250 1.00 0.87 C ATOM 3281 O ASP B 101 -1.875 12.495 -12.648 1.00 0.91 O ATOM 3282 CB ASP B 101 -3.911 12.245 -14.548 1.00 1.15 C ATOM 3283 CG ASP B 101 -3.228 10.947 -14.928 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -3.760 9.866 -14.597 1.00 1.27 O ATOM 3285 OD2 ASP B 101 -2.170 10.996 -15.585 1.00 2.06 O ATOM 0 H ASP B 101 -6.170 12.881 -12.423 1.00 1.08 H new ATOM 0 HA ASP B 101 -4.568 11.351 -12.713 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -4.829 12.348 -15.126 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -3.267 13.081 -14.821 1.00 1.15 H new ATOM 3290 N GLU B 102 -3.257 13.377 -11.110 1.00 0.88 N ATOM 3291 CA GLU B 102 -2.186 13.846 -10.246 1.00 0.85 C ATOM 3292 C GLU B 102 -1.762 12.764 -9.262 1.00 0.72 C ATOM 3293 O GLU B 102 -2.550 11.887 -8.913 1.00 0.72 O ATOM 3294 CB GLU B 102 -2.629 15.095 -9.480 1.00 1.03 C ATOM 3295 CG GLU B 102 -3.789 14.850 -8.525 1.00 1.30 C ATOM 3296 CD GLU B 102 -5.139 15.112 -9.157 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -5.646 14.233 -9.881 1.00 1.82 O ATOM 3298 OE2 GLU B 102 -5.701 16.205 -8.933 1.00 2.51 O ATOM 0 H GLU B 102 -4.195 13.577 -10.762 1.00 0.88 H new ATOM 0 HA GLU B 102 -1.332 14.094 -10.877 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -1.781 15.483 -8.915 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -2.916 15.866 -10.195 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -3.752 13.819 -8.174 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -3.673 15.489 -7.650 1.00 1.30 H new ATOM 3305 N ILE B 103 -0.517 12.840 -8.817 1.00 0.68 N ATOM 3306 CA ILE B 103 0.024 11.881 -7.863 1.00 0.59 C ATOM 3307 C ILE B 103 0.353 12.584 -6.553 1.00 0.61 C ATOM 3308 O ILE B 103 0.903 13.687 -6.557 1.00 0.74 O ATOM 3309 CB ILE B 103 1.303 11.200 -8.406 1.00 0.62 C ATOM 3310 CG1 ILE B 103 1.045 10.599 -9.788 1.00 0.67 C ATOM 3311 CG2 ILE B 103 1.795 10.123 -7.445 1.00 0.56 C ATOM 3312 CD1 ILE B 103 2.302 10.124 -10.483 1.00 0.99 C ATOM 0 H ILE B 103 0.144 13.562 -9.104 1.00 0.68 H new ATOM 0 HA ILE B 103 -0.733 11.114 -7.699 1.00 0.59 H new ATOM 0 HB ILE B 103 2.079 11.960 -8.495 1.00 0.62 H new ATOM 0 HG12 ILE B 103 0.356 9.761 -9.688 1.00 0.67 H new ATOM 0 HG13 ILE B 103 0.553 11.344 -10.413 1.00 0.67 H new ATOM 0 HG21 ILE B 103 2.695 9.659 -7.849 1.00 0.56 H new ATOM 0 HG22 ILE B 103 2.021 10.573 -6.479 1.00 0.56 H new ATOM 0 HG23 ILE B 103 1.021 9.366 -7.320 1.00 0.56 H new ATOM 0 HD11 ILE B 103 2.044 9.710 -11.458 1.00 0.99 H new ATOM 0 HD12 ILE B 103 2.984 10.964 -10.615 1.00 0.99 H new ATOM 0 HD13 ILE B 103 2.784 9.356 -9.878 1.00 0.99 H new ATOM 3324 N GLU B 104 0.009 11.956 -5.439 1.00 0.54 N ATOM 3325 CA GLU B 104 0.278 12.540 -4.133 1.00 0.59 C ATOM 3326 C GLU B 104 1.643 12.102 -3.619 1.00 0.51 C ATOM 3327 O GLU B 104 2.454 12.931 -3.204 1.00 0.56 O ATOM 3328 CB GLU B 104 -0.819 12.162 -3.135 1.00 0.69 C ATOM 3329 CG GLU B 104 -2.188 12.695 -3.518 1.00 0.85 C ATOM 3330 CD GLU B 104 -2.999 13.122 -2.315 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -2.415 13.712 -1.384 1.00 1.33 O ATOM 3332 OE2 GLU B 104 -4.225 12.886 -2.297 1.00 1.44 O ATOM 0 H GLU B 104 -0.454 11.048 -5.412 1.00 0.54 H new ATOM 0 HA GLU B 104 0.284 13.625 -4.240 1.00 0.59 H new ATOM 0 HB2 GLU B 104 -0.869 11.076 -3.054 1.00 0.69 H new ATOM 0 HB3 GLU B 104 -0.551 12.543 -2.149 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -2.069 13.543 -4.192 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -2.733 11.927 -4.066 1.00 0.85 H new ATOM 3339 N TYR B 105 1.892 10.799 -3.655 1.00 0.42 N ATOM 3340 CA TYR B 105 3.159 10.242 -3.204 1.00 0.40 C ATOM 3341 C TYR B 105 3.331 8.829 -3.758 1.00 0.33 C ATOM 3342 O TYR B 105 2.445 8.319 -4.449 1.00 0.37 O ATOM 3343 CB TYR B 105 3.242 10.244 -1.666 1.00 0.46 C ATOM 3344 CG TYR B 105 2.426 9.165 -0.980 1.00 0.47 C ATOM 3345 CD1 TYR B 105 1.082 9.358 -0.682 1.00 0.59 C ATOM 3346 CD2 TYR B 105 3.008 7.955 -0.620 1.00 0.45 C ATOM 3347 CE1 TYR B 105 0.345 8.375 -0.049 1.00 0.67 C ATOM 3348 CE2 TYR B 105 2.277 6.971 0.010 1.00 0.55 C ATOM 3349 CZ TYR B 105 0.949 7.183 0.293 1.00 0.65 C ATOM 3350 OH TYR B 105 0.225 6.200 0.922 1.00 0.77 O ATOM 0 H TYR B 105 1.227 10.104 -3.995 1.00 0.42 H new ATOM 0 HA TYR B 105 3.970 10.866 -3.580 1.00 0.40 H new ATOM 0 HB2 TYR B 105 4.286 10.131 -1.373 1.00 0.46 H new ATOM 0 HB3 TYR B 105 2.912 11.216 -1.300 1.00 0.46 H new ATOM 0 HD1 TYR B 105 0.607 10.290 -0.949 1.00 0.59 H new ATOM 0 HD2 TYR B 105 4.052 7.783 -0.838 1.00 0.45 H new ATOM 0 HE1 TYR B 105 -0.698 8.539 0.177 1.00 0.67 H new ATOM 0 HE2 TYR B 105 2.746 6.037 0.280 1.00 0.55 H new ATOM 0 HH TYR B 105 -0.679 6.529 1.110 1.00 0.77 H new ATOM 3360 N ILE B 106 4.463 8.202 -3.466 1.00 0.26 N ATOM 3361 CA ILE B 106 4.730 6.852 -3.940 1.00 0.25 C ATOM 3362 C ILE B 106 4.784 5.873 -2.775 1.00 0.26 C ATOM 3363 O ILE B 106 5.615 6.013 -1.872 1.00 0.28 O ATOM 3364 CB ILE B 106 6.061 6.754 -4.715 1.00 0.26 C ATOM 3365 CG1 ILE B 106 6.104 7.780 -5.847 1.00 0.31 C ATOM 3366 CG2 ILE B 106 6.248 5.345 -5.267 1.00 0.30 C ATOM 3367 CD1 ILE B 106 7.417 7.793 -6.599 1.00 0.36 C ATOM 0 H ILE B 106 5.211 8.607 -2.903 1.00 0.26 H new ATOM 0 HA ILE B 106 3.912 6.599 -4.614 1.00 0.25 H new ATOM 0 HB ILE B 106 6.877 6.971 -4.026 1.00 0.26 H new ATOM 0 HG12 ILE B 106 5.295 7.571 -6.547 1.00 0.31 H new ATOM 0 HG13 ILE B 106 5.920 8.772 -5.435 1.00 0.31 H new ATOM 0 HG21 ILE B 106 7.191 5.290 -5.811 1.00 0.30 H new ATOM 0 HG22 ILE B 106 6.262 4.631 -4.444 1.00 0.30 H new ATOM 0 HG23 ILE B 106 5.425 5.106 -5.941 1.00 0.30 H new ATOM 0 HD11 ILE B 106 7.377 8.544 -7.388 1.00 0.36 H new ATOM 0 HD12 ILE B 106 8.228 8.032 -5.911 1.00 0.36 H new ATOM 0 HD13 ILE B 106 7.593 6.812 -7.041 1.00 0.36 H new ATOM 3379 N ILE B 107 3.892 4.899 -2.792 1.00 0.29 N ATOM 3380 CA ILE B 107 3.854 3.882 -1.756 1.00 0.34 C ATOM 3381 C ILE B 107 4.819 2.772 -2.133 1.00 0.40 C ATOM 3382 O ILE B 107 4.897 2.397 -3.297 1.00 0.52 O ATOM 3383 CB ILE B 107 2.442 3.282 -1.586 1.00 0.44 C ATOM 3384 CG1 ILE B 107 1.375 4.248 -2.110 1.00 0.46 C ATOM 3385 CG2 ILE B 107 2.187 2.947 -0.124 1.00 0.53 C ATOM 3386 CD1 ILE B 107 0.085 3.569 -2.514 1.00 0.79 C ATOM 0 H ILE B 107 3.181 4.790 -3.515 1.00 0.29 H new ATOM 0 HA ILE B 107 4.135 4.347 -0.811 1.00 0.34 H new ATOM 0 HB ILE B 107 2.384 2.364 -2.170 1.00 0.44 H new ATOM 0 HG12 ILE B 107 1.159 4.989 -1.340 1.00 0.46 H new ATOM 0 HG13 ILE B 107 1.776 4.787 -2.968 1.00 0.46 H new ATOM 0 HG21 ILE B 107 1.188 2.525 -0.016 1.00 0.53 H new ATOM 0 HG22 ILE B 107 2.926 2.222 0.218 1.00 0.53 H new ATOM 0 HG23 ILE B 107 2.264 3.854 0.476 1.00 0.53 H new ATOM 0 HD11 ILE B 107 -0.622 4.316 -2.874 1.00 0.79 H new ATOM 0 HD12 ILE B 107 0.286 2.848 -3.306 1.00 0.79 H new ATOM 0 HD13 ILE B 107 -0.340 3.053 -1.653 1.00 0.79 H new ATOM 3398 N CYS B 108 5.571 2.262 -1.180 1.00 0.39 N ATOM 3399 CA CYS B 108 6.518 1.203 -1.482 1.00 0.47 C ATOM 3400 C CYS B 108 6.371 0.025 -0.535 1.00 0.37 C ATOM 3401 O CYS B 108 6.688 0.124 0.650 1.00 0.43 O ATOM 3402 CB CYS B 108 7.945 1.742 -1.434 1.00 0.61 C ATOM 3403 SG CYS B 108 8.378 2.800 -2.833 1.00 1.55 S ATOM 0 H CYS B 108 5.549 2.556 -0.204 1.00 0.39 H new ATOM 0 HA CYS B 108 6.301 0.845 -2.489 1.00 0.47 H new ATOM 0 HB2 CYS B 108 8.079 2.305 -0.511 1.00 0.61 H new ATOM 0 HB3 CYS B 108 8.639 0.902 -1.398 1.00 0.61 H new ATOM 0 HG CYS B 108 8.669 3.992 -2.402 1.00 1.55 H new ATOM 3409 N THR B 109 5.872 -1.077 -1.066 1.00 0.32 N ATOM 3410 CA THR B 109 5.698 -2.294 -0.299 1.00 0.29 C ATOM 3411 C THR B 109 6.967 -3.136 -0.385 1.00 0.26 C ATOM 3412 O THR B 109 7.156 -3.910 -1.327 1.00 0.27 O ATOM 3413 CB THR B 109 4.496 -3.103 -0.817 1.00 0.39 C ATOM 3414 OG1 THR B 109 3.414 -2.215 -1.143 1.00 0.48 O ATOM 3415 CG2 THR B 109 4.035 -4.108 0.225 1.00 0.49 C ATOM 0 H THR B 109 5.577 -1.152 -2.040 1.00 0.32 H new ATOM 0 HA THR B 109 5.506 -2.026 0.740 1.00 0.29 H new ATOM 0 HB THR B 109 4.805 -3.645 -1.711 1.00 0.39 H new ATOM 0 HG1 THR B 109 2.796 -2.664 -1.757 1.00 0.48 H new ATOM 0 HG21 THR B 109 3.184 -4.669 -0.162 1.00 0.49 H new ATOM 0 HG22 THR B 109 4.850 -4.795 0.453 1.00 0.49 H new ATOM 0 HG23 THR B 109 3.740 -3.582 1.133 1.00 0.49 H new ATOM 3423 N ASN B 110 7.845 -2.954 0.587 1.00 0.35 N ATOM 3424 CA ASN B 110 9.115 -3.669 0.625 1.00 0.40 C ATOM 3425 C ASN B 110 8.918 -5.098 1.107 1.00 0.45 C ATOM 3426 O ASN B 110 8.550 -5.323 2.257 1.00 0.57 O ATOM 3427 CB ASN B 110 10.110 -2.958 1.549 1.00 0.53 C ATOM 3428 CG ASN B 110 10.222 -1.472 1.274 1.00 1.18 C ATOM 3429 OD1 ASN B 110 11.007 -1.040 0.432 1.00 1.84 O ATOM 3430 ND2 ASN B 110 9.442 -0.680 1.991 1.00 1.84 N ATOM 0 H ASN B 110 7.702 -2.313 1.367 1.00 0.35 H new ATOM 0 HA ASN B 110 9.514 -3.686 -0.389 1.00 0.40 H new ATOM 0 HB2 ASN B 110 9.805 -3.107 2.585 1.00 0.53 H new ATOM 0 HB3 ASN B 110 11.092 -3.417 1.437 1.00 0.53 H new ATOM 0 HD21 ASN B 110 9.478 0.330 1.855 1.00 1.84 H new ATOM 0 HD22 ASN B 110 8.804 -1.080 2.680 1.00 1.84 H new ATOM 3437 N THR B 111 9.146 -6.055 0.223 1.00 0.39 N ATOM 3438 CA THR B 111 9.009 -7.461 0.570 1.00 0.41 C ATOM 3439 C THR B 111 10.380 -8.114 0.681 1.00 0.38 C ATOM 3440 O THR B 111 11.151 -8.121 -0.283 1.00 0.43 O ATOM 3441 CB THR B 111 8.178 -8.225 -0.480 1.00 0.45 C ATOM 3442 OG1 THR B 111 7.448 -7.303 -1.306 1.00 0.50 O ATOM 3443 CG2 THR B 111 7.210 -9.186 0.194 1.00 0.52 C ATOM 0 H THR B 111 9.427 -5.884 -0.742 1.00 0.39 H new ATOM 0 HA THR B 111 8.493 -7.509 1.529 1.00 0.41 H new ATOM 0 HB THR B 111 8.864 -8.798 -1.103 1.00 0.45 H new ATOM 0 HG1 THR B 111 6.570 -7.130 -0.906 1.00 0.50 H new ATOM 0 HG21 THR B 111 6.634 -9.714 -0.566 1.00 0.52 H new ATOM 0 HG22 THR B 111 7.769 -9.906 0.792 1.00 0.52 H new ATOM 0 HG23 THR B 111 6.533 -8.627 0.839 1.00 0.52 H new ATOM 3451 N ASN B 112 10.690 -8.639 1.857 1.00 0.36 N ATOM 3452 CA ASN B 112 11.971 -9.298 2.091 1.00 0.36 C ATOM 3453 C ASN B 112 12.090 -10.571 1.258 1.00 0.34 C ATOM 3454 O ASN B 112 11.192 -11.415 1.263 1.00 0.37 O ATOM 3455 CB ASN B 112 12.133 -9.624 3.577 1.00 0.45 C ATOM 3456 CG ASN B 112 13.018 -10.833 3.828 1.00 0.39 C ATOM 3457 OD1 ASN B 112 12.529 -11.944 4.035 1.00 0.71 O ATOM 3458 ND2 ASN B 112 14.321 -10.625 3.800 1.00 0.42 N ATOM 0 H ASN B 112 10.071 -8.622 2.668 1.00 0.36 H new ATOM 0 HA ASN B 112 12.765 -8.616 1.788 1.00 0.36 H new ATOM 0 HB2 ASN B 112 12.555 -8.759 4.089 1.00 0.45 H new ATOM 0 HB3 ASN B 112 11.150 -9.804 4.013 1.00 0.45 H new ATOM 0 HD21 ASN B 112 14.965 -11.401 3.953 1.00 0.42 H new ATOM 0 HD22 ASN B 112 14.684 -9.688 3.625 1.00 0.42 H new ATOM 3465 N VAL B 113 13.198 -10.698 0.538 1.00 0.36 N ATOM 3466 CA VAL B 113 13.433 -11.868 -0.296 1.00 0.44 C ATOM 3467 C VAL B 113 14.384 -12.840 0.390 1.00 0.50 C ATOM 3468 O VAL B 113 14.116 -14.038 0.464 1.00 0.78 O ATOM 3469 CB VAL B 113 14.022 -11.484 -1.667 1.00 0.52 C ATOM 3470 CG1 VAL B 113 14.037 -12.685 -2.601 1.00 0.98 C ATOM 3471 CG2 VAL B 113 13.243 -10.337 -2.286 1.00 0.83 C ATOM 0 H VAL B 113 13.947 -10.006 0.515 1.00 0.36 H new ATOM 0 HA VAL B 113 12.464 -12.343 -0.449 1.00 0.44 H new ATOM 0 HB VAL B 113 15.050 -11.155 -1.514 1.00 0.52 H new ATOM 0 HG11 VAL B 113 14.457 -12.392 -3.563 1.00 0.98 H new ATOM 0 HG12 VAL B 113 14.646 -13.477 -2.165 1.00 0.98 H new ATOM 0 HG13 VAL B 113 13.019 -13.047 -2.744 1.00 0.98 H new ATOM 0 HG21 VAL B 113 13.677 -10.083 -3.253 1.00 0.83 H new ATOM 0 HG22 VAL B 113 12.203 -10.635 -2.421 1.00 0.83 H new ATOM 0 HG23 VAL B 113 13.289 -9.469 -1.628 1.00 0.83 H new ATOM 3481 N LYS B 114 15.489 -12.321 0.901 1.00 0.66 N ATOM 3482 CA LYS B 114 16.475 -13.150 1.575 1.00 0.80 C ATOM 3483 C LYS B 114 16.122 -13.312 3.047 1.00 0.96 C ATOM 3484 O LYS B 114 15.539 -14.350 3.412 1.00 1.54 O ATOM 3485 CB LYS B 114 17.871 -12.541 1.432 1.00 1.37 C ATOM 3486 CG LYS B 114 18.773 -13.299 0.468 1.00 1.56 C ATOM 3487 CD LYS B 114 19.197 -14.646 1.033 1.00 2.38 C ATOM 3488 CE LYS B 114 20.113 -14.486 2.235 1.00 2.81 C ATOM 3489 NZ LYS B 114 20.330 -15.774 2.946 1.00 3.21 N ATOM 3490 OXT LYS B 114 16.423 -12.397 3.837 1.00 0.67 O ATOM 0 H LYS B 114 15.726 -11.330 0.862 1.00 0.66 H new ATOM 0 HA LYS B 114 16.472 -14.134 1.107 1.00 0.80 H new ATOM 0 HB2 LYS B 114 17.775 -11.510 1.091 1.00 1.37 H new ATOM 0 HB3 LYS B 114 18.346 -12.510 2.412 1.00 1.37 H new ATOM 0 HG2 LYS B 114 18.251 -13.449 -0.477 1.00 1.56 H new ATOM 0 HG3 LYS B 114 19.658 -12.701 0.251 1.00 1.56 H new ATOM 0 HD2 LYS B 114 18.313 -15.214 1.322 1.00 2.38 H new ATOM 0 HD3 LYS B 114 19.707 -15.221 0.260 1.00 2.38 H new ATOM 0 HE2 LYS B 114 21.073 -14.086 1.908 1.00 2.81 H new ATOM 0 HE3 LYS B 114 19.683 -13.759 2.924 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 20.960 -15.620 3.759 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 19.417 -16.144 3.281 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 20.764 -16.460 2.296 1.00 3.21 H new TER 3504 LYS B 114