USER MOD reduce.3.24.130724 H: found=0, std=0, add=1721, rem=0, adj=66 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 90 THR OG1 : rot 123:sc= 0.629 USER MOD Set 1.2: B 110 ASN : amide:sc= -0.127 K(o=0.5,f=-1.4) USER MOD Set 2.1: A 7 THR OG1 : rot 88:sc= 1.25 USER MOD Set 2.2: B 97 ASN : amide:sc= 0.747 K(o=2,f=-2.4) USER MOD Set 3.1: B 73 SER OG : rot 180:sc= 1.01 USER MOD Set 3.2: B 91 SER OG : rot -76:sc= 1.19 USER MOD Set 4.1: B 16 HIS : no HE2:sc= -2.35! C(o=-5.7!,f=-5.3!) USER MOD Set 4.2: B 108 CYS SG : rot 173:sc= -3.39! USER MOD Set 5.1: B 10 THR OG1 : rot 55:sc= -0.0275 USER MOD Set 5.2: B 112 ASN : amide:sc= 1.33 K(o=1.3,f=-3.9!) USER MOD Set 6.1: A 70 GLN : amide:sc= 0.27 K(o=1.5,f=-2.4!) USER MOD Set 6.2: A 109 SER OG : rot 94:sc= 1.2 USER MOD Set 7.1: A 102 MET CE :methyl -127:sc= -0.496 (180deg=-3.78!) USER MOD Set 7.2: B 109 THR OG1 : rot -146:sc= 1.28 USER MOD Set 8.1: A 86 GLN : amide:sc= 1.04 K(o=2.3,f=-0.8) USER MOD Set 8.2: A 106 TYR OH : rot -128:sc= 1.21 USER MOD Set 9.1: A 71 TYR OH : rot -124:sc= 1.57 USER MOD Set 9.2: A 85 THR OG1 : rot -37:sc= 1.78 USER MOD Set 9.3: A 105 ASN : amide:sc= -1.82! C(o=1.5!,f=-4.1!) USER MOD Set10.1: A 65 GLN : amide:sc= 0.818 K(o=2,f=0.76) USER MOD Set10.2: A 88 THR OG1 : rot -165:sc= 1.2 USER MOD Set11.1: A 59 ASN : amide:sc= 1 K(o=2.2,f=-9.7!) USER MOD Set11.2: A 63 LYS NZ :NH3+ 170:sc= 1.22 (180deg=-0.0188) USER MOD Set12.1: A 46 HIS : no HE2:sc= -0.849 K(o=-0.92,f=-6.5!) USER MOD Set12.2: A 53 MET CE :methyl 168:sc= -0.0744 (180deg=-0.345) USER MOD Set13.1: A 13 SER OG : rot -64:sc= 1.87 USER MOD Set13.2: A 19 THR OG1 : rot -152:sc= 0.778 USER MOD Set14.1: A 14 MET CE :methyl -136:sc= 0 (180deg=0) USER MOD Set14.2: A 97 GLN : amide:sc= -0.143 X(o=1.9,f=1.8) USER MOD Set14.3: A 99 GLN : amide:sc= 2.07 K(o=1.9,f=-4.7!) USER MOD Set15.1: A 12 HIS : no HE2:sc= 0.0311 K(o=2.3,f=-3.7!) USER MOD Set15.2: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set15.3: A 45 TYR OH : rot 96:sc= 1.31 USER MOD Set15.4: A 103 CYS SG : rot 29:sc= 0.911 USER MOD Single : A 6 LYS NZ :NH3+ -139:sc= 1.07 (180deg=-0.894!) USER MOD Single : A 10 SER OG : rot 180:sc= -0.122 USER MOD Single : A 17 LYS NZ :NH3+ -113:sc= -0.153! (180deg=-0.83) USER MOD Single : A 20 TYR OH : rot -54:sc= 1.54! USER MOD Single : A 21 CYS SG : rot 128:sc= -0.596 USER MOD Single : A 26 THR OG1 : rot -72:sc= 1.15 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -0.386 K(o=-0.39,f=-7.7!) USER MOD Single : A 40 SER OG : rot 54:sc= 0.897 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -62:sc= 1.22 USER MOD Single : A 52 ASN : amide:sc= 0.939 K(o=0.94,f=-1.6!) USER MOD Single : A 54 THR OG1 : rot 76:sc= 1.28 USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= 1.16 (180deg=1.07) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00943 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 58 GLN : amide:sc= -0.174 K(o=-0.17,f=-0.79) USER MOD Single : A 61 CYS SG : rot 71:sc= 1.02 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 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HE2:sc= 0.0513 K(o=0.051,f=-0.61) USER MOD Single : A 80 TYR OH : rot 68:sc= -1.29 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 2.73 K(o=2.7,f=-8!) USER MOD Single : A 95 ASN : amide:sc= 0.784 K(o=0.78,f=-0.0059) USER MOD Single : A 100 CYS SG : rot 58:sc= 0.491 USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= 0.824 K(o=0.82,f=-6.4!) USER MOD Single : B 14 SER OG : rot 123:sc= 0.622 USER MOD Single : B 17 ASN : amide:sc= -0.108 K(o=-0.11,f=-8.1!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 29 CYS SG : rot -93:sc= -0.0723! USER MOD Single : B 32 THR OG1 : rot 100:sc= 0.807 USER MOD Single : B 35 TYR OH : rot -95:sc= 1.21 USER MOD Single : B 36 GLN : amide:sc= 0.129 X(o=0.13,f=-0.0048) USER MOD Single : B 38 GLN : amide:sc= 0.488 K(o=0.49,f=-7.9!) USER MOD Single : B 43 LYS NZ :NH3+ 142:sc= 1.18 (180deg=-0.256!) USER MOD Single : B 44 ASN : amide:sc= 0.122 X(o=0.12,f=0.055) USER MOD Single : B 49 CYS SG : rot 77:sc= -0.34 USER MOD Single : B 50 HIS : no HE2:sc= 0.598 K(o=0.6,f=-5.1!) USER MOD Single : B 54 GLN : amide:sc= 0.351 K(o=0.35,f=-0.33) USER MOD Single : B 55 GLN : amide:sc= -0.043 K(o=-0.043,f=-0.54) USER MOD Single : B 60 SER OG : rot 74:sc= 1.26 USER MOD Single : B 62 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.36) USER MOD Single : B 63 GLN : amide:sc= 0.971 K(o=0.97,f=-1.8) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 150:sc= 1.22 (180deg=1.09) USER MOD Single : B 70 GLN : amide:sc= 0.23 K(o=0.23,f=-4.3!) USER MOD Single : B 75 MET CE :methyl 151:sc= -1.08 (180deg=-3.51) USER MOD Single : B 80 SER OG : rot 179:sc= -2.71! USER MOD Single : B 81 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.13) USER MOD Single : B 82 ASN : amide:sc= 1.15 K(o=1.2,f=-0.33) USER MOD Single : B 83 GLN : amide:sc= -0.1 K(o=-0.1,f=-1.6) USER MOD Single : B 88 MET CE :methyl -126:sc= -0.0809 (180deg=-2.04!) USER MOD Single : B 92 SER OG : rot -148:sc= 0.0657 USER MOD Single : B 94 THR OG1 : rot -118:sc= 1.24 USER MOD Single : B 96 GLN : amide:sc= -2.78! C(o=-2.8!,f=-9.5!) USER MOD Single : B 99 TYR OH : rot -130:sc= 1.01 USER MOD Single : B 100 SER OG : rot 180:sc= 0 USER MOD Single : B 105 TYR OH : rot -78:sc= 1.43 USER MOD Single : B 111 THR OG1 : rot 72:sc= 1.19 USER MOD Single : B 114 LYS NZ :NH3+ 161:sc= 1.21 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -11.044 -12.749 -2.122 1.00 0.00 N ATOM 2 CA LYS A 6 -9.798 -12.089 -2.567 1.00 0.00 C ATOM 3 C LYS A 6 -9.490 -10.869 -1.711 1.00 0.00 C ATOM 4 O LYS A 6 -10.380 -10.291 -1.085 1.00 0.00 O ATOM 5 CB LYS A 6 -9.907 -11.664 -4.035 1.00 0.00 C ATOM 6 CG LYS A 6 -9.723 -12.807 -5.019 1.00 0.00 C ATOM 7 CD LYS A 6 -9.448 -12.294 -6.425 1.00 0.00 C ATOM 8 CE LYS A 6 -9.153 -13.436 -7.382 1.00 0.00 C ATOM 9 NZ LYS A 6 -8.673 -12.950 -8.703 1.00 0.00 N ATOM 0 HA LYS A 6 -8.987 -12.810 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.883 -11.208 -4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.159 -10.898 -4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.897 -13.439 -4.693 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.618 -13.430 -5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.309 -11.730 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.602 -11.606 -6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.401 -14.091 -6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.054 -14.033 -7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.110 -13.514 -9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.935 -11.950 -8.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.639 -13.045 -8.753 1.00 0.00 H new ATOM 25 N THR A 7 -8.222 -10.498 -1.683 1.00 0.00 N ATOM 26 CA THR A 7 -7.766 -9.344 -0.928 1.00 0.00 C ATOM 27 C THR A 7 -6.892 -8.467 -1.824 1.00 0.00 C ATOM 28 O THR A 7 -6.166 -8.983 -2.679 1.00 0.00 O ATOM 29 CB THR A 7 -6.970 -9.790 0.315 1.00 0.00 C ATOM 30 OG1 THR A 7 -7.642 -10.888 0.947 1.00 0.00 O ATOM 31 CG2 THR A 7 -6.815 -8.650 1.309 1.00 0.00 C ATOM 0 H THR A 7 -7.480 -10.988 -2.183 1.00 0.00 H new ATOM 0 HA THR A 7 -8.632 -8.774 -0.592 1.00 0.00 H new ATOM 0 HB THR A 7 -5.976 -10.098 -0.010 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.335 -11.731 0.551 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.250 -8.996 2.174 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.284 -7.824 0.835 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.800 -8.312 1.631 1.00 0.00 H new ATOM 39 N PHE A 8 -6.972 -7.151 -1.657 1.00 0.00 N ATOM 40 CA PHE A 8 -6.182 -6.241 -2.479 1.00 0.00 C ATOM 41 C PHE A 8 -5.676 -5.054 -1.668 1.00 0.00 C ATOM 42 O PHE A 8 -6.199 -4.745 -0.595 1.00 0.00 O ATOM 43 CB PHE A 8 -6.994 -5.756 -3.689 1.00 0.00 C ATOM 44 CG PHE A 8 -8.198 -4.923 -3.340 1.00 0.00 C ATOM 45 CD1 PHE A 8 -9.401 -5.523 -3.001 1.00 0.00 C ATOM 46 CD2 PHE A 8 -8.129 -3.538 -3.365 1.00 0.00 C ATOM 47 CE1 PHE A 8 -10.509 -4.760 -2.692 1.00 0.00 C ATOM 48 CE2 PHE A 8 -9.235 -2.770 -3.054 1.00 0.00 C ATOM 49 CZ PHE A 8 -10.426 -3.382 -2.718 1.00 0.00 C ATOM 0 H PHE A 8 -7.569 -6.694 -0.968 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.315 -6.794 -2.840 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.341 -5.173 -4.339 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.322 -6.624 -4.262 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.472 -6.600 -2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.201 -3.054 -3.630 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.440 -5.240 -2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.168 -1.692 -3.074 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.292 -2.784 -2.476 1.00 0.00 H new ATOM 59 N LEU A 9 -4.655 -4.395 -2.196 1.00 0.00 N ATOM 60 CA LEU A 9 -4.057 -3.243 -1.541 1.00 0.00 C ATOM 61 C LEU A 9 -4.337 -1.983 -2.351 1.00 0.00 C ATOM 62 O LEU A 9 -4.217 -1.985 -3.575 1.00 0.00 O ATOM 63 CB LEU A 9 -2.542 -3.458 -1.388 1.00 0.00 C ATOM 64 CG LEU A 9 -1.842 -2.635 -0.296 1.00 0.00 C ATOM 65 CD1 LEU A 9 -1.452 -1.259 -0.811 1.00 0.00 C ATOM 66 CD2 LEU A 9 -2.724 -2.507 0.933 1.00 0.00 C ATOM 0 H LEU A 9 -4.221 -4.642 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.495 -3.125 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.366 -4.514 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.067 -3.233 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.931 -3.165 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.959 -0.699 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.772 -1.366 -1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.346 -0.723 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.207 -1.920 1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.655 -2.010 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.944 -3.499 1.328 1.00 0.00 H new ATOM 78 N SER A 10 -4.722 -0.919 -1.666 1.00 0.00 N ATOM 79 CA SER A 10 -5.014 0.345 -2.319 1.00 0.00 C ATOM 80 C SER A 10 -4.458 1.507 -1.502 1.00 0.00 C ATOM 81 O SER A 10 -4.003 1.315 -0.374 1.00 0.00 O ATOM 82 CB SER A 10 -6.527 0.496 -2.511 1.00 0.00 C ATOM 83 OG SER A 10 -7.242 -0.077 -1.427 1.00 0.00 O ATOM 0 H SER A 10 -4.840 -0.906 -0.653 1.00 0.00 H new ATOM 0 HA SER A 10 -4.534 0.356 -3.298 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.781 1.552 -2.600 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.828 0.016 -3.442 1.00 0.00 H new ATOM 0 HG SER A 10 -8.204 0.035 -1.574 1.00 0.00 H new ATOM 89 N ARG A 11 -4.474 2.704 -2.073 1.00 0.00 N ATOM 90 CA ARG A 11 -3.981 3.884 -1.376 1.00 0.00 C ATOM 91 C ARG A 11 -4.953 5.044 -1.541 1.00 0.00 C ATOM 92 O ARG A 11 -5.495 5.269 -2.627 1.00 0.00 O ATOM 93 CB ARG A 11 -2.590 4.284 -1.883 1.00 0.00 C ATOM 94 CG ARG A 11 -2.086 5.609 -1.317 1.00 0.00 C ATOM 95 CD ARG A 11 -0.692 5.956 -1.823 1.00 0.00 C ATOM 96 NE ARG A 11 -0.581 5.841 -3.278 1.00 0.00 N ATOM 97 CZ ARG A 11 0.525 5.433 -3.907 1.00 0.00 C ATOM 98 NH1 ARG A 11 1.632 5.196 -3.219 1.00 0.00 N ATOM 99 NH2 ARG A 11 0.531 5.286 -5.227 1.00 0.00 N ATOM 0 H ARG A 11 -4.822 2.883 -3.015 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.900 3.639 -0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.880 3.497 -1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.615 4.350 -2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.778 6.406 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.073 5.556 -0.228 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.442 6.973 -1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.037 5.296 -1.353 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.394 6.086 -3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.641 5.325 -2.207 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.475 4.885 -3.701 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.312 5.485 -5.766 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.378 4.974 -5.702 1.00 0.00 H new ATOM 113 N HIS A 12 -5.180 5.761 -0.453 1.00 0.00 N ATOM 114 CA HIS A 12 -6.073 6.910 -0.457 1.00 0.00 C ATOM 115 C HIS A 12 -5.276 8.174 -0.195 1.00 0.00 C ATOM 116 O HIS A 12 -4.313 8.146 0.567 1.00 0.00 O ATOM 117 CB HIS A 12 -7.159 6.751 0.607 1.00 0.00 C ATOM 118 CG HIS A 12 -8.297 5.876 0.186 1.00 0.00 C ATOM 119 ND1 HIS A 12 -8.641 5.664 -1.129 1.00 0.00 N ATOM 120 CD2 HIS A 12 -9.188 5.173 0.922 1.00 0.00 C ATOM 121 CE1 HIS A 12 -9.694 4.871 -1.183 1.00 0.00 C ATOM 122 NE2 HIS A 12 -10.050 4.557 0.050 1.00 0.00 N ATOM 0 H HIS A 12 -4.754 5.566 0.453 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.553 6.978 -1.433 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -6.711 6.338 1.511 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.547 7.736 0.866 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -8.158 6.058 -1.936 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.216 5.108 2.000 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.184 4.535 -2.085 1.00 0.00 H new ATOM 131 N SER A 13 -5.660 9.273 -0.832 1.00 0.00 N ATOM 132 CA SER A 13 -4.951 10.534 -0.650 1.00 0.00 C ATOM 133 C SER A 13 -5.903 11.731 -0.700 1.00 0.00 C ATOM 134 O SER A 13 -6.862 11.738 -1.473 1.00 0.00 O ATOM 135 CB SER A 13 -3.870 10.683 -1.725 1.00 0.00 C ATOM 136 OG SER A 13 -3.061 9.517 -1.802 1.00 0.00 O ATOM 0 H SER A 13 -6.451 9.318 -1.474 1.00 0.00 H new ATOM 0 HA SER A 13 -4.489 10.517 0.337 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.337 10.870 -2.692 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.246 11.548 -1.500 1.00 0.00 H new ATOM 0 HG SER A 13 -2.573 9.401 -0.960 1.00 0.00 H new ATOM 142 N MET A 14 -5.628 12.719 0.156 1.00 0.00 N ATOM 143 CA MET A 14 -6.405 13.963 0.240 1.00 0.00 C ATOM 144 C MET A 14 -7.889 13.709 0.502 1.00 0.00 C ATOM 145 O MET A 14 -8.297 13.485 1.641 1.00 0.00 O ATOM 146 CB MET A 14 -6.223 14.807 -1.028 1.00 0.00 C ATOM 147 CG MET A 14 -5.048 15.769 -0.961 1.00 0.00 C ATOM 148 SD MET A 14 -3.450 14.928 -0.935 1.00 0.00 S ATOM 149 CE MET A 14 -2.366 16.287 -0.501 1.00 0.00 C ATOM 0 H MET A 14 -4.853 12.679 0.817 1.00 0.00 H new ATOM 0 HA MET A 14 -6.017 14.518 1.094 1.00 0.00 H new ATOM 0 HB2 MET A 14 -6.087 14.141 -1.880 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.136 15.375 -1.209 1.00 0.00 H new ATOM 0 HG2 MET A 14 -5.085 16.440 -1.819 1.00 0.00 H new ATOM 0 HG3 MET A 14 -5.142 16.387 -0.068 1.00 0.00 H new ATOM 0 HE1 MET A 14 -1.475 16.256 -1.128 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.887 17.232 -0.657 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.076 16.201 0.546 1.00 0.00 H new ATOM 159 N ASP A 15 -8.686 13.731 -0.559 1.00 0.00 N ATOM 160 CA ASP A 15 -10.130 13.513 -0.460 1.00 0.00 C ATOM 161 C ASP A 15 -10.460 12.025 -0.406 1.00 0.00 C ATOM 162 O ASP A 15 -11.551 11.604 -0.785 1.00 0.00 O ATOM 163 CB ASP A 15 -10.854 14.172 -1.640 1.00 0.00 C ATOM 164 CG ASP A 15 -10.057 14.103 -2.926 1.00 0.00 C ATOM 165 OD1 ASP A 15 -9.135 14.931 -3.102 1.00 0.00 O ATOM 166 OD2 ASP A 15 -10.335 13.224 -3.765 1.00 0.00 O ATOM 0 H ASP A 15 -8.355 13.899 -1.509 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.474 13.972 0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.818 13.685 -1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.058 15.215 -1.399 1.00 0.00 H new ATOM 171 N MET A 16 -9.499 11.240 0.073 1.00 0.00 N ATOM 172 CA MET A 16 -9.648 9.795 0.214 1.00 0.00 C ATOM 173 C MET A 16 -9.863 9.121 -1.138 1.00 0.00 C ATOM 174 O MET A 16 -10.460 8.046 -1.218 1.00 0.00 O ATOM 175 CB MET A 16 -10.803 9.464 1.169 1.00 0.00 C ATOM 176 CG MET A 16 -10.551 8.233 2.025 1.00 0.00 C ATOM 177 SD MET A 16 -11.889 7.910 3.189 1.00 0.00 S ATOM 178 CE MET A 16 -11.162 6.625 4.205 1.00 0.00 C ATOM 0 H MET A 16 -8.590 11.591 0.376 1.00 0.00 H new ATOM 0 HA MET A 16 -8.722 9.405 0.636 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.981 10.319 1.821 1.00 0.00 H new ATOM 0 HB3 MET A 16 -11.712 9.312 0.587 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.421 7.366 1.378 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.619 8.363 2.576 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.874 6.322 4.973 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.912 5.766 3.582 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.257 7.005 4.679 1.00 0.00 H new ATOM 188 N LYS A 17 -9.361 9.747 -2.198 1.00 0.00 N ATOM 189 CA LYS A 17 -9.492 9.189 -3.535 1.00 0.00 C ATOM 190 C LYS A 17 -8.491 8.055 -3.723 1.00 0.00 C ATOM 191 O LYS A 17 -7.730 7.732 -2.809 1.00 0.00 O ATOM 192 CB LYS A 17 -9.287 10.263 -4.608 1.00 0.00 C ATOM 193 CG LYS A 17 -7.881 10.846 -4.644 1.00 0.00 C ATOM 194 CD LYS A 17 -7.527 11.374 -6.027 1.00 0.00 C ATOM 195 CE LYS A 17 -8.430 12.525 -6.446 1.00 0.00 C ATOM 196 NZ LYS A 17 -8.323 13.680 -5.519 1.00 0.00 N ATOM 0 H LYS A 17 -8.863 10.636 -2.156 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.503 8.798 -3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.516 9.835 -5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.999 11.071 -4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.803 11.653 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.162 10.081 -4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.489 11.707 -6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.607 10.567 -6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.167 12.844 -7.455 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.464 12.181 -6.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.222 13.801 -5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.559 13.507 -4.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.113 14.542 -6.061 1.00 0.00 H new ATOM 210 N PHE A 18 -8.483 7.452 -4.897 1.00 0.00 N ATOM 211 CA PHE A 18 -7.570 6.355 -5.168 1.00 0.00 C ATOM 212 C PHE A 18 -6.316 6.844 -5.881 1.00 0.00 C ATOM 213 O PHE A 18 -6.395 7.578 -6.868 1.00 0.00 O ATOM 214 CB PHE A 18 -8.253 5.280 -6.015 1.00 0.00 C ATOM 215 CG PHE A 18 -9.229 4.430 -5.252 1.00 0.00 C ATOM 216 CD1 PHE A 18 -8.798 3.310 -4.561 1.00 0.00 C ATOM 217 CD2 PHE A 18 -10.577 4.747 -5.234 1.00 0.00 C ATOM 218 CE1 PHE A 18 -9.695 2.521 -3.864 1.00 0.00 C ATOM 219 CE2 PHE A 18 -11.477 3.964 -4.539 1.00 0.00 C ATOM 220 CZ PHE A 18 -11.036 2.849 -3.853 1.00 0.00 C ATOM 0 H PHE A 18 -9.094 7.701 -5.675 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.281 5.926 -4.209 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.775 5.761 -6.842 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -7.489 4.636 -6.451 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.750 3.050 -4.566 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -10.928 5.617 -5.770 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.347 1.650 -3.329 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.525 4.223 -4.532 1.00 0.00 H new ATOM 0 HZ PHE A 18 -11.739 2.235 -3.309 1.00 0.00 H new ATOM 230 N THR A 19 -5.166 6.463 -5.347 1.00 0.00 N ATOM 231 CA THR A 19 -3.881 6.816 -5.936 1.00 0.00 C ATOM 232 C THR A 19 -3.046 5.552 -6.135 1.00 0.00 C ATOM 233 O THR A 19 -1.870 5.607 -6.498 1.00 0.00 O ATOM 234 CB THR A 19 -3.104 7.808 -5.047 1.00 0.00 C ATOM 235 OG1 THR A 19 -3.266 7.458 -3.665 1.00 0.00 O ATOM 236 CG2 THR A 19 -3.580 9.235 -5.277 1.00 0.00 C ATOM 0 H THR A 19 -5.095 5.903 -4.497 1.00 0.00 H new ATOM 0 HA THR A 19 -4.071 7.297 -6.896 1.00 0.00 H new ATOM 0 HB THR A 19 -2.049 7.751 -5.314 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.188 8.263 -3.112 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.016 9.914 -4.638 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.425 9.506 -6.321 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.641 9.308 -5.037 1.00 0.00 H new ATOM 244 N TYR A 20 -3.682 4.414 -5.886 1.00 0.00 N ATOM 245 CA TYR A 20 -3.051 3.106 -6.007 1.00 0.00 C ATOM 246 C TYR A 20 -4.120 2.040 -5.821 1.00 0.00 C ATOM 247 O TYR A 20 -4.891 2.105 -4.863 1.00 0.00 O ATOM 248 CB TYR A 20 -1.956 2.952 -4.946 1.00 0.00 C ATOM 249 CG TYR A 20 -1.117 1.699 -5.071 1.00 0.00 C ATOM 250 CD1 TYR A 20 -0.175 1.566 -6.082 1.00 0.00 C ATOM 251 CD2 TYR A 20 -1.254 0.657 -4.162 1.00 0.00 C ATOM 252 CE1 TYR A 20 0.608 0.431 -6.183 1.00 0.00 C ATOM 253 CE2 TYR A 20 -0.478 -0.482 -4.259 1.00 0.00 C ATOM 254 CZ TYR A 20 0.452 -0.589 -5.270 1.00 0.00 C ATOM 255 OH TYR A 20 1.235 -1.720 -5.363 1.00 0.00 O ATOM 0 H TYR A 20 -4.658 4.373 -5.592 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.590 3.001 -6.989 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.297 3.819 -4.997 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.422 2.963 -3.961 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.052 2.362 -6.801 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.979 0.739 -3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.338 0.344 -6.974 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.600 -1.284 -3.546 1.00 0.00 H new ATOM 0 HH TYR A 20 1.157 -2.099 -6.263 1.00 0.00 H new ATOM 265 N CYS A 21 -4.192 1.087 -6.741 1.00 0.00 N ATOM 266 CA CYS A 21 -5.194 0.031 -6.659 1.00 0.00 C ATOM 267 C CYS A 21 -4.651 -1.283 -7.213 1.00 0.00 C ATOM 268 O CYS A 21 -3.468 -1.391 -7.541 1.00 0.00 O ATOM 269 CB CYS A 21 -6.460 0.428 -7.434 1.00 0.00 C ATOM 270 SG CYS A 21 -6.579 2.188 -7.839 1.00 0.00 S ATOM 0 H CYS A 21 -3.572 1.023 -7.549 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.444 -0.107 -5.607 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.498 -0.147 -8.359 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.333 0.145 -6.846 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.812 2.326 -9.110 1.00 0.00 H new ATOM 276 N ASP A 22 -5.533 -2.268 -7.318 1.00 0.00 N ATOM 277 CA ASP A 22 -5.180 -3.584 -7.835 1.00 0.00 C ATOM 278 C ASP A 22 -6.204 -3.994 -8.888 1.00 0.00 C ATOM 279 O ASP A 22 -7.244 -3.353 -9.018 1.00 0.00 O ATOM 280 CB ASP A 22 -5.150 -4.610 -6.696 1.00 0.00 C ATOM 281 CG ASP A 22 -4.406 -5.882 -7.060 1.00 0.00 C ATOM 282 OD1 ASP A 22 -4.989 -6.740 -7.753 1.00 0.00 O ATOM 283 OD2 ASP A 22 -3.240 -6.031 -6.647 1.00 0.00 O ATOM 0 H ASP A 22 -6.512 -2.178 -7.048 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.189 -3.545 -8.286 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.681 -4.159 -5.821 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.173 -4.862 -6.415 1.00 0.00 H new ATOM 288 N ASP A 23 -5.924 -5.055 -9.626 1.00 0.00 N ATOM 289 CA ASP A 23 -6.839 -5.521 -10.661 1.00 0.00 C ATOM 290 C ASP A 23 -7.877 -6.466 -10.071 1.00 0.00 C ATOM 291 O ASP A 23 -8.967 -6.620 -10.614 1.00 0.00 O ATOM 292 CB ASP A 23 -6.078 -6.222 -11.788 1.00 0.00 C ATOM 293 CG ASP A 23 -7.003 -6.750 -12.868 1.00 0.00 C ATOM 294 OD1 ASP A 23 -7.453 -5.952 -13.714 1.00 0.00 O ATOM 295 OD2 ASP A 23 -7.281 -7.968 -12.872 1.00 0.00 O ATOM 0 H ASP A 23 -5.074 -5.610 -9.530 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.348 -4.650 -11.075 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.367 -5.525 -12.231 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.499 -7.047 -11.374 1.00 0.00 H new ATOM 300 N ARG A 24 -7.539 -7.076 -8.937 1.00 0.00 N ATOM 301 CA ARG A 24 -8.439 -8.013 -8.255 1.00 0.00 C ATOM 302 C ARG A 24 -9.781 -7.361 -7.921 1.00 0.00 C ATOM 303 O ARG A 24 -10.799 -8.038 -7.783 1.00 0.00 O ATOM 304 CB ARG A 24 -7.793 -8.528 -6.965 1.00 0.00 C ATOM 305 CG ARG A 24 -6.582 -9.414 -7.195 1.00 0.00 C ATOM 306 CD ARG A 24 -5.786 -9.603 -5.914 1.00 0.00 C ATOM 307 NE ARG A 24 -4.730 -10.602 -6.064 1.00 0.00 N ATOM 308 CZ ARG A 24 -4.118 -11.200 -5.042 1.00 0.00 C ATOM 309 NH1 ARG A 24 -4.432 -10.879 -3.791 1.00 0.00 N ATOM 310 NH2 ARG A 24 -3.188 -12.114 -5.270 1.00 0.00 N ATOM 0 H ARG A 24 -6.644 -6.939 -8.466 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.619 -8.845 -8.935 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.497 -7.676 -6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.536 -9.086 -6.396 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.905 -10.385 -7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.944 -8.971 -7.960 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.344 -8.651 -5.619 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.459 -9.905 -5.111 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.444 -10.857 -7.009 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.144 -10.172 -3.609 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.961 -11.340 -3.013 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.940 -12.361 -6.228 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.720 -12.571 -4.488 1.00 0.00 H new ATOM 324 N ILE A 25 -9.775 -6.041 -7.812 1.00 0.00 N ATOM 325 CA ILE A 25 -10.972 -5.285 -7.479 1.00 0.00 C ATOM 326 C ILE A 25 -12.002 -5.309 -8.618 1.00 0.00 C ATOM 327 O ILE A 25 -13.177 -5.007 -8.405 1.00 0.00 O ATOM 328 CB ILE A 25 -10.612 -3.823 -7.128 1.00 0.00 C ATOM 329 CG1 ILE A 25 -11.763 -3.145 -6.378 1.00 0.00 C ATOM 330 CG2 ILE A 25 -10.255 -3.042 -8.384 1.00 0.00 C ATOM 331 CD1 ILE A 25 -11.419 -1.764 -5.861 1.00 0.00 C ATOM 0 H ILE A 25 -8.944 -5.466 -7.951 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.422 -5.764 -6.610 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.741 -3.835 -6.473 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.625 -3.071 -7.042 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.060 -3.774 -5.539 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.005 -2.016 -8.115 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.399 -3.508 -8.872 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.105 -3.042 -9.066 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -12.281 -1.345 -5.341 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.577 -1.833 -5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.151 -1.119 -6.698 1.00 0.00 H new ATOM 343 N THR A 26 -11.571 -5.690 -9.818 1.00 0.00 N ATOM 344 CA THR A 26 -12.473 -5.742 -10.965 1.00 0.00 C ATOM 345 C THR A 26 -13.472 -6.881 -10.819 1.00 0.00 C ATOM 346 O THR A 26 -14.588 -6.816 -11.330 1.00 0.00 O ATOM 347 CB THR A 26 -11.703 -5.912 -12.289 1.00 0.00 C ATOM 348 OG1 THR A 26 -10.936 -7.122 -12.264 1.00 0.00 O ATOM 349 CG2 THR A 26 -10.783 -4.727 -12.528 1.00 0.00 C ATOM 0 H THR A 26 -10.610 -5.965 -10.021 1.00 0.00 H new ATOM 0 HA THR A 26 -13.006 -4.791 -10.991 1.00 0.00 H new ATOM 0 HB THR A 26 -12.428 -5.964 -13.102 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.171 -7.012 -11.662 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.248 -4.865 -13.468 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.374 -3.812 -12.578 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.066 -4.652 -11.710 1.00 0.00 H new ATOM 357 N GLU A 27 -13.066 -7.919 -10.108 1.00 0.00 N ATOM 358 CA GLU A 27 -13.921 -9.070 -9.891 1.00 0.00 C ATOM 359 C GLU A 27 -14.787 -8.863 -8.656 1.00 0.00 C ATOM 360 O GLU A 27 -15.770 -9.572 -8.451 1.00 0.00 O ATOM 361 CB GLU A 27 -13.074 -10.330 -9.723 1.00 0.00 C ATOM 362 CG GLU A 27 -12.010 -10.495 -10.792 1.00 0.00 C ATOM 363 CD GLU A 27 -10.859 -11.354 -10.325 1.00 0.00 C ATOM 364 OE1 GLU A 27 -10.953 -12.592 -10.432 1.00 0.00 O ATOM 365 OE2 GLU A 27 -9.851 -10.797 -9.843 1.00 0.00 O ATOM 0 H GLU A 27 -12.147 -7.987 -9.671 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.569 -9.188 -10.760 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.594 -10.307 -8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.728 -11.202 -9.736 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.457 -10.941 -11.681 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.634 -9.514 -11.082 1.00 0.00 H new ATOM 372 N LEU A 28 -14.426 -7.877 -7.848 1.00 0.00 N ATOM 373 CA LEU A 28 -15.155 -7.587 -6.621 1.00 0.00 C ATOM 374 C LEU A 28 -16.133 -6.436 -6.823 1.00 0.00 C ATOM 375 O LEU A 28 -17.338 -6.592 -6.641 1.00 0.00 O ATOM 376 CB LEU A 28 -14.168 -7.254 -5.500 1.00 0.00 C ATOM 377 CG LEU A 28 -12.988 -8.221 -5.379 1.00 0.00 C ATOM 378 CD1 LEU A 28 -11.887 -7.620 -4.525 1.00 0.00 C ATOM 379 CD2 LEU A 28 -13.443 -9.551 -4.803 1.00 0.00 C ATOM 0 H LEU A 28 -13.630 -7.262 -8.020 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.730 -8.471 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.781 -6.248 -5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.707 -7.239 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.589 -8.397 -6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.058 -8.324 -4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.538 -6.694 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.274 -7.410 -3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.590 -10.225 -4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.871 -9.392 -3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.195 -9.992 -5.457 1.00 0.00 H new ATOM 391 N ILE A 29 -15.612 -5.281 -7.201 1.00 0.00 N ATOM 392 CA ILE A 29 -16.445 -4.112 -7.423 1.00 0.00 C ATOM 393 C ILE A 29 -16.791 -3.980 -8.902 1.00 0.00 C ATOM 394 O ILE A 29 -17.944 -3.737 -9.263 1.00 0.00 O ATOM 395 CB ILE A 29 -15.753 -2.824 -6.920 1.00 0.00 C ATOM 396 CG1 ILE A 29 -15.589 -2.885 -5.399 1.00 0.00 C ATOM 397 CG2 ILE A 29 -16.542 -1.585 -7.322 1.00 0.00 C ATOM 398 CD1 ILE A 29 -14.889 -1.680 -4.811 1.00 0.00 C ATOM 0 H ILE A 29 -14.616 -5.128 -7.360 1.00 0.00 H new ATOM 0 HA ILE A 29 -17.365 -4.245 -6.853 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.769 -2.756 -7.383 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -16.573 -2.981 -4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -15.027 -3.782 -5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -16.032 -0.694 -6.955 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.618 -1.538 -8.408 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.542 -1.634 -6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.810 -1.796 -3.730 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.891 -1.594 -5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.461 -0.780 -5.038 1.00 0.00 H new ATOM 410 N GLY A 30 -15.794 -4.155 -9.754 1.00 0.00 N ATOM 411 CA GLY A 30 -16.018 -4.058 -11.182 1.00 0.00 C ATOM 412 C GLY A 30 -15.179 -2.978 -11.828 1.00 0.00 C ATOM 413 O GLY A 30 -14.826 -3.077 -13.003 1.00 0.00 O ATOM 0 H GLY A 30 -14.833 -4.363 -9.483 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.791 -5.017 -11.648 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.073 -3.854 -11.368 1.00 0.00 H new ATOM 417 N TYR A 31 -14.863 -1.943 -11.063 1.00 0.00 N ATOM 418 CA TYR A 31 -14.062 -0.837 -11.571 1.00 0.00 C ATOM 419 C TYR A 31 -12.607 -1.258 -11.750 1.00 0.00 C ATOM 420 O TYR A 31 -12.032 -1.926 -10.890 1.00 0.00 O ATOM 421 CB TYR A 31 -14.144 0.364 -10.626 1.00 0.00 C ATOM 422 CG TYR A 31 -15.371 1.229 -10.825 1.00 0.00 C ATOM 423 CD1 TYR A 31 -15.509 2.022 -11.958 1.00 0.00 C ATOM 424 CD2 TYR A 31 -16.388 1.261 -9.876 1.00 0.00 C ATOM 425 CE1 TYR A 31 -16.622 2.821 -12.141 1.00 0.00 C ATOM 426 CE2 TYR A 31 -17.506 2.057 -10.053 1.00 0.00 C ATOM 427 CZ TYR A 31 -17.618 2.834 -11.187 1.00 0.00 C ATOM 428 OH TYR A 31 -18.729 3.627 -11.370 1.00 0.00 O ATOM 0 H TYR A 31 -15.149 -1.845 -10.089 1.00 0.00 H new ATOM 0 HA TYR A 31 -14.464 -0.550 -12.543 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -14.130 0.004 -9.597 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -13.254 0.979 -10.760 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -14.733 2.014 -12.709 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -16.303 0.654 -8.986 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -16.711 3.432 -13.027 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -18.287 2.070 -9.307 1.00 0.00 H new ATOM 0 HH TYR A 31 -19.336 3.521 -10.608 1.00 0.00 H new ATOM 438 N HIS A 32 -12.029 -0.879 -12.881 1.00 0.00 N ATOM 439 CA HIS A 32 -10.642 -1.198 -13.187 1.00 0.00 C ATOM 440 C HIS A 32 -9.706 -0.345 -12.329 1.00 0.00 C ATOM 441 O HIS A 32 -10.056 0.775 -11.960 1.00 0.00 O ATOM 442 CB HIS A 32 -10.363 -0.964 -14.678 1.00 0.00 C ATOM 443 CG HIS A 32 -9.838 -2.174 -15.390 1.00 0.00 C ATOM 444 ND1 HIS A 32 -8.519 -2.316 -15.754 1.00 0.00 N ATOM 445 CD2 HIS A 32 -10.459 -3.306 -15.799 1.00 0.00 C ATOM 446 CE1 HIS A 32 -8.349 -3.478 -16.354 1.00 0.00 C ATOM 447 NE2 HIS A 32 -9.510 -4.102 -16.395 1.00 0.00 N ATOM 0 H HIS A 32 -12.505 -0.345 -13.608 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.462 -2.249 -12.960 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -11.283 -0.638 -15.164 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.643 -0.152 -14.781 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -7.785 -1.628 -15.586 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.506 -3.540 -15.679 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.416 -3.855 -16.746 1.00 0.00 H new ATOM 456 N PRO A 33 -8.514 -0.869 -11.988 1.00 0.00 N ATOM 457 CA PRO A 33 -7.526 -0.160 -11.164 1.00 0.00 C ATOM 458 C PRO A 33 -7.275 1.286 -11.607 1.00 0.00 C ATOM 459 O PRO A 33 -7.327 2.208 -10.788 1.00 0.00 O ATOM 460 CB PRO A 33 -6.241 -0.995 -11.318 1.00 0.00 C ATOM 461 CG PRO A 33 -6.546 -2.047 -12.337 1.00 0.00 C ATOM 462 CD PRO A 33 -8.037 -2.208 -12.351 1.00 0.00 C ATOM 0 HA PRO A 33 -7.878 -0.072 -10.136 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.408 -0.371 -11.640 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.953 -1.445 -10.368 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.179 -1.753 -13.320 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.057 -2.987 -12.082 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.401 -2.515 -13.332 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.369 -2.962 -11.638 1.00 0.00 H new ATOM 470 N GLU A 34 -7.025 1.488 -12.898 1.00 0.00 N ATOM 471 CA GLU A 34 -6.754 2.828 -13.420 1.00 0.00 C ATOM 472 C GLU A 34 -8.023 3.676 -13.462 1.00 0.00 C ATOM 473 O GLU A 34 -7.959 4.903 -13.529 1.00 0.00 O ATOM 474 CB GLU A 34 -6.108 2.769 -14.812 1.00 0.00 C ATOM 475 CG GLU A 34 -6.833 1.879 -15.808 1.00 0.00 C ATOM 476 CD GLU A 34 -6.416 0.432 -15.689 1.00 0.00 C ATOM 477 OE1 GLU A 34 -5.417 0.042 -16.317 1.00 0.00 O ATOM 478 OE2 GLU A 34 -7.078 -0.317 -14.945 1.00 0.00 O ATOM 0 H GLU A 34 -7.004 0.748 -13.599 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.048 3.300 -12.736 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.057 3.779 -15.218 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.082 2.415 -14.708 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.908 1.960 -15.649 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.633 2.231 -16.820 1.00 0.00 H new ATOM 485 N GLU A 35 -9.173 3.018 -13.422 1.00 0.00 N ATOM 486 CA GLU A 35 -10.449 3.715 -13.434 1.00 0.00 C ATOM 487 C GLU A 35 -10.743 4.274 -12.048 1.00 0.00 C ATOM 488 O GLU A 35 -11.471 5.253 -11.902 1.00 0.00 O ATOM 489 CB GLU A 35 -11.578 2.783 -13.873 1.00 0.00 C ATOM 490 CG GLU A 35 -12.016 2.998 -15.310 1.00 0.00 C ATOM 491 CD GLU A 35 -12.374 4.442 -15.587 1.00 0.00 C ATOM 492 OE1 GLU A 35 -13.397 4.918 -15.056 1.00 0.00 O ATOM 493 OE2 GLU A 35 -11.627 5.111 -16.331 1.00 0.00 O ATOM 0 H GLU A 35 -9.247 2.002 -13.381 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.388 4.535 -14.150 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.253 1.750 -13.751 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.435 2.928 -13.215 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.216 2.688 -15.982 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.876 2.364 -15.525 1.00 0.00 H new ATOM 500 N LEU A 36 -10.161 3.645 -11.037 1.00 0.00 N ATOM 501 CA LEU A 36 -10.341 4.074 -9.658 1.00 0.00 C ATOM 502 C LEU A 36 -9.372 5.198 -9.315 1.00 0.00 C ATOM 503 O LEU A 36 -9.773 6.245 -8.805 1.00 0.00 O ATOM 504 CB LEU A 36 -10.121 2.901 -8.700 1.00 0.00 C ATOM 505 CG LEU A 36 -11.117 1.751 -8.832 1.00 0.00 C ATOM 506 CD1 LEU A 36 -10.422 0.425 -8.579 1.00 0.00 C ATOM 507 CD2 LEU A 36 -12.275 1.936 -7.866 1.00 0.00 C ATOM 0 H LEU A 36 -9.557 2.831 -11.147 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.362 4.439 -9.549 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.116 2.509 -8.858 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.160 3.277 -7.678 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.514 1.749 -9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.142 -0.388 -8.676 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.622 0.289 -9.306 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.003 0.420 -7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.975 1.107 -7.974 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.896 1.960 -6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.786 2.873 -8.086 1.00 0.00 H new ATOM 519 N LEU A 37 -8.095 4.986 -9.610 1.00 0.00 N ATOM 520 CA LEU A 37 -7.076 5.983 -9.309 1.00 0.00 C ATOM 521 C LEU A 37 -7.211 7.193 -10.224 1.00 0.00 C ATOM 522 O LEU A 37 -7.526 7.059 -11.407 1.00 0.00 O ATOM 523 CB LEU A 37 -5.665 5.378 -9.402 1.00 0.00 C ATOM 524 CG LEU A 37 -5.220 4.901 -10.790 1.00 0.00 C ATOM 525 CD1 LEU A 37 -4.421 5.982 -11.503 1.00 0.00 C ATOM 526 CD2 LEU A 37 -4.394 3.630 -10.673 1.00 0.00 C ATOM 0 H LEU A 37 -7.742 4.138 -10.054 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.229 6.318 -8.283 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.950 6.122 -9.050 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.609 4.533 -8.716 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.112 4.688 -11.379 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.116 5.621 -12.485 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.038 6.873 -11.619 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.536 6.227 -10.916 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.086 3.304 -11.666 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.511 3.825 -10.064 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.993 2.849 -10.204 1.00 0.00 H new ATOM 538 N GLY A 38 -7.011 8.373 -9.659 1.00 0.00 N ATOM 539 CA GLY A 38 -7.096 9.596 -10.435 1.00 0.00 C ATOM 540 C GLY A 38 -8.484 10.208 -10.434 1.00 0.00 C ATOM 541 O GLY A 38 -8.646 11.389 -10.744 1.00 0.00 O ATOM 0 H GLY A 38 -6.790 8.508 -8.672 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.386 10.321 -10.038 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.798 9.388 -11.463 1.00 0.00 H new ATOM 545 N ARG A 39 -9.487 9.423 -10.076 1.00 0.00 N ATOM 546 CA ARG A 39 -10.855 9.920 -10.055 1.00 0.00 C ATOM 547 C ARG A 39 -11.329 10.143 -8.627 1.00 0.00 C ATOM 548 O ARG A 39 -10.643 9.776 -7.668 1.00 0.00 O ATOM 549 CB ARG A 39 -11.800 8.951 -10.770 1.00 0.00 C ATOM 550 CG ARG A 39 -12.259 7.783 -9.911 1.00 0.00 C ATOM 551 CD ARG A 39 -13.642 7.308 -10.320 1.00 0.00 C ATOM 552 NE ARG A 39 -13.689 6.894 -11.723 1.00 0.00 N ATOM 553 CZ ARG A 39 -14.386 7.530 -12.664 1.00 0.00 C ATOM 554 NH1 ARG A 39 -15.070 8.623 -12.359 1.00 0.00 N ATOM 555 NH2 ARG A 39 -14.391 7.075 -13.910 1.00 0.00 N ATOM 0 H ARG A 39 -9.383 8.447 -9.798 1.00 0.00 H new ATOM 0 HA ARG A 39 -10.867 10.874 -10.582 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -12.676 9.502 -11.113 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.300 8.561 -11.657 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.548 6.961 -10.001 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.270 8.082 -8.863 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.940 6.473 -9.686 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -14.363 8.108 -10.154 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.156 6.069 -11.997 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.063 8.979 -11.403 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.603 9.109 -13.080 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.861 6.237 -14.149 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.925 7.563 -14.629 1.00 0.00 H new ATOM 569 N SER A 40 -12.496 10.750 -8.497 1.00 0.00 N ATOM 570 CA SER A 40 -13.082 11.017 -7.198 1.00 0.00 C ATOM 571 C SER A 40 -13.708 9.748 -6.628 1.00 0.00 C ATOM 572 O SER A 40 -14.579 9.140 -7.250 1.00 0.00 O ATOM 573 CB SER A 40 -14.131 12.120 -7.327 1.00 0.00 C ATOM 574 OG SER A 40 -14.466 12.340 -8.688 1.00 0.00 O ATOM 0 H SER A 40 -13.060 11.069 -9.285 1.00 0.00 H new ATOM 0 HA SER A 40 -12.301 11.348 -6.514 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.025 11.845 -6.768 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.751 13.042 -6.888 1.00 0.00 H new ATOM 0 HG SER A 40 -14.737 11.493 -9.099 1.00 0.00 H new ATOM 580 N ALA A 41 -13.261 9.350 -5.447 1.00 0.00 N ATOM 581 CA ALA A 41 -13.777 8.151 -4.801 1.00 0.00 C ATOM 582 C ALA A 41 -15.209 8.365 -4.324 1.00 0.00 C ATOM 583 O ALA A 41 -15.994 7.422 -4.240 1.00 0.00 O ATOM 584 CB ALA A 41 -12.884 7.754 -3.637 1.00 0.00 C ATOM 0 H ALA A 41 -12.541 9.840 -4.915 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.780 7.343 -5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.281 6.856 -3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.876 7.556 -4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.853 8.565 -2.909 1.00 0.00 H new ATOM 590 N TYR A 42 -15.549 9.622 -4.045 1.00 0.00 N ATOM 591 CA TYR A 42 -16.882 9.981 -3.563 1.00 0.00 C ATOM 592 C TYR A 42 -17.970 9.668 -4.589 1.00 0.00 C ATOM 593 O TYR A 42 -19.154 9.628 -4.248 1.00 0.00 O ATOM 594 CB TYR A 42 -16.937 11.466 -3.201 1.00 0.00 C ATOM 595 CG TYR A 42 -16.171 11.824 -1.949 1.00 0.00 C ATOM 596 CD1 TYR A 42 -16.552 11.326 -0.710 1.00 0.00 C ATOM 597 CD2 TYR A 42 -15.070 12.668 -2.008 1.00 0.00 C ATOM 598 CE1 TYR A 42 -15.856 11.659 0.437 1.00 0.00 C ATOM 599 CE2 TYR A 42 -14.369 13.007 -0.867 1.00 0.00 C ATOM 600 CZ TYR A 42 -14.764 12.501 0.354 1.00 0.00 C ATOM 601 OH TYR A 42 -14.071 12.844 1.495 1.00 0.00 O ATOM 0 H TYR A 42 -14.915 10.414 -4.145 1.00 0.00 H new ATOM 0 HA TYR A 42 -17.072 9.377 -2.676 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -16.542 12.047 -4.034 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -17.979 11.760 -3.073 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -17.406 10.668 -0.641 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -14.757 13.066 -2.962 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -16.164 11.263 1.393 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.515 13.665 -0.931 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.331 13.442 1.261 1.00 0.00 H new ATOM 611 N GLU A 43 -17.570 9.442 -5.837 1.00 0.00 N ATOM 612 CA GLU A 43 -18.514 9.139 -6.908 1.00 0.00 C ATOM 613 C GLU A 43 -19.218 7.807 -6.667 1.00 0.00 C ATOM 614 O GLU A 43 -20.322 7.581 -7.156 1.00 0.00 O ATOM 615 CB GLU A 43 -17.796 9.101 -8.259 1.00 0.00 C ATOM 616 CG GLU A 43 -17.318 10.463 -8.732 1.00 0.00 C ATOM 617 CD GLU A 43 -16.627 10.405 -10.079 1.00 0.00 C ATOM 618 OE1 GLU A 43 -17.315 10.549 -11.112 1.00 0.00 O ATOM 619 OE2 GLU A 43 -15.391 10.224 -10.112 1.00 0.00 O ATOM 0 H GLU A 43 -16.594 9.463 -6.132 1.00 0.00 H new ATOM 0 HA GLU A 43 -19.264 9.930 -6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -16.940 8.430 -8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -18.469 8.681 -9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -18.169 11.141 -8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -16.632 10.879 -7.994 1.00 0.00 H new ATOM 626 N PHE A 44 -18.573 6.928 -5.912 1.00 0.00 N ATOM 627 CA PHE A 44 -19.136 5.616 -5.613 1.00 0.00 C ATOM 628 C PHE A 44 -18.801 5.197 -4.184 1.00 0.00 C ATOM 629 O PHE A 44 -18.888 4.020 -3.829 1.00 0.00 O ATOM 630 CB PHE A 44 -18.597 4.575 -6.604 1.00 0.00 C ATOM 631 CG PHE A 44 -17.099 4.600 -6.746 1.00 0.00 C ATOM 632 CD1 PHE A 44 -16.295 3.854 -5.897 1.00 0.00 C ATOM 633 CD2 PHE A 44 -16.495 5.376 -7.723 1.00 0.00 C ATOM 634 CE1 PHE A 44 -14.920 3.884 -6.019 1.00 0.00 C ATOM 635 CE2 PHE A 44 -15.121 5.408 -7.850 1.00 0.00 C ATOM 636 CZ PHE A 44 -14.333 4.662 -6.998 1.00 0.00 C ATOM 0 H PHE A 44 -17.658 7.099 -5.494 1.00 0.00 H new ATOM 0 HA PHE A 44 -20.220 5.676 -5.710 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -18.907 3.582 -6.279 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -19.049 4.747 -7.581 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.750 3.243 -5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.107 5.962 -8.393 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.305 3.300 -5.350 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.663 6.017 -8.616 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.258 4.686 -7.096 1.00 0.00 H new ATOM 646 N TYR A 45 -18.439 6.168 -3.356 1.00 0.00 N ATOM 647 CA TYR A 45 -18.070 5.888 -1.977 1.00 0.00 C ATOM 648 C TYR A 45 -19.296 5.703 -1.094 1.00 0.00 C ATOM 649 O TYR A 45 -19.536 6.491 -0.180 1.00 0.00 O ATOM 650 CB TYR A 45 -17.181 6.999 -1.417 1.00 0.00 C ATOM 651 CG TYR A 45 -15.950 6.485 -0.704 1.00 0.00 C ATOM 652 CD1 TYR A 45 -15.747 5.121 -0.521 1.00 0.00 C ATOM 653 CD2 TYR A 45 -14.988 7.361 -0.219 1.00 0.00 C ATOM 654 CE1 TYR A 45 -14.625 4.646 0.126 1.00 0.00 C ATOM 655 CE2 TYR A 45 -13.861 6.894 0.430 1.00 0.00 C ATOM 656 CZ TYR A 45 -13.685 5.536 0.599 1.00 0.00 C ATOM 657 OH TYR A 45 -12.566 5.067 1.250 1.00 0.00 O ATOM 0 H TYR A 45 -18.393 7.153 -3.615 1.00 0.00 H new ATOM 0 HA TYR A 45 -17.510 4.953 -1.975 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -16.872 7.652 -2.233 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.765 7.607 -0.725 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -16.481 4.421 -0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -15.123 8.424 -0.351 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.484 3.584 0.261 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -13.122 7.588 0.803 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.821 5.006 0.617 1.00 0.00 H new ATOM 667 N HIS A 46 -20.059 4.647 -1.386 1.00 0.00 N ATOM 668 CA HIS A 46 -21.264 4.287 -0.628 1.00 0.00 C ATOM 669 C HIS A 46 -22.402 5.272 -0.902 1.00 0.00 C ATOM 670 O HIS A 46 -22.186 6.480 -0.976 1.00 0.00 O ATOM 671 CB HIS A 46 -20.986 4.228 0.889 1.00 0.00 C ATOM 672 CG HIS A 46 -19.771 3.432 1.294 1.00 0.00 C ATOM 673 ND1 HIS A 46 -19.425 3.210 2.611 1.00 0.00 N ATOM 674 CD2 HIS A 46 -18.814 2.817 0.556 1.00 0.00 C ATOM 675 CE1 HIS A 46 -18.313 2.505 2.662 1.00 0.00 C ATOM 676 NE2 HIS A 46 -17.921 2.253 1.429 1.00 0.00 N ATOM 0 H HIS A 46 -19.859 4.013 -2.159 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.564 3.294 -0.964 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -20.872 5.247 1.260 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.859 3.804 1.385 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -19.949 3.541 3.421 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -18.765 2.779 -0.522 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.808 2.187 3.562 1.00 0.00 H new ATOM 685 N ALA A 47 -23.615 4.755 -1.058 1.00 0.00 N ATOM 686 CA ALA A 47 -24.769 5.608 -1.319 1.00 0.00 C ATOM 687 C ALA A 47 -25.468 5.986 -0.018 1.00 0.00 C ATOM 688 O ALA A 47 -25.680 7.162 0.264 1.00 0.00 O ATOM 689 CB ALA A 47 -25.743 4.924 -2.269 1.00 0.00 C ATOM 0 H ALA A 47 -23.825 3.758 -1.009 1.00 0.00 H new ATOM 0 HA ALA A 47 -24.412 6.522 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -26.596 5.579 -2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -25.242 4.712 -3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -26.089 3.991 -1.825 1.00 0.00 H new ATOM 695 N LEU A 48 -25.813 4.985 0.781 1.00 0.00 N ATOM 696 CA LEU A 48 -26.493 5.227 2.051 1.00 0.00 C ATOM 697 C LEU A 48 -25.526 5.067 3.218 1.00 0.00 C ATOM 698 O LEU A 48 -25.916 5.149 4.383 1.00 0.00 O ATOM 699 CB LEU A 48 -27.676 4.262 2.216 1.00 0.00 C ATOM 700 CG LEU A 48 -27.343 2.905 2.852 1.00 0.00 C ATOM 701 CD1 LEU A 48 -28.603 2.241 3.382 1.00 0.00 C ATOM 702 CD2 LEU A 48 -26.648 1.992 1.854 1.00 0.00 C ATOM 0 H LEU A 48 -25.635 4.002 0.576 1.00 0.00 H new ATOM 0 HA LEU A 48 -26.868 6.250 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -28.438 4.750 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -28.116 4.085 1.235 1.00 0.00 H new ATOM 0 HG LEU A 48 -26.663 3.082 3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -28.347 1.280 3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -29.062 2.881 4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -29.304 2.085 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -26.423 1.037 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -27.301 1.826 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -25.721 2.458 1.519 1.00 0.00 H new ATOM 714 N ASP A 49 -24.260 4.856 2.894 1.00 0.00 N ATOM 715 CA ASP A 49 -23.228 4.650 3.905 1.00 0.00 C ATOM 716 C ASP A 49 -22.091 5.656 3.727 1.00 0.00 C ATOM 717 O ASP A 49 -20.946 5.405 4.105 1.00 0.00 O ATOM 718 CB ASP A 49 -22.703 3.215 3.793 1.00 0.00 C ATOM 719 CG ASP A 49 -21.905 2.770 5.001 1.00 0.00 C ATOM 720 OD1 ASP A 49 -22.518 2.397 6.021 1.00 0.00 O ATOM 721 OD2 ASP A 49 -20.661 2.769 4.926 1.00 0.00 O ATOM 0 H ASP A 49 -23.918 4.822 1.934 1.00 0.00 H new ATOM 0 HA ASP A 49 -23.654 4.804 4.896 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -23.546 2.538 3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -22.078 3.133 2.904 1.00 0.00 H new ATOM 726 N SER A 50 -22.409 6.799 3.139 1.00 0.00 N ATOM 727 CA SER A 50 -21.416 7.836 2.909 1.00 0.00 C ATOM 728 C SER A 50 -21.069 8.542 4.217 1.00 0.00 C ATOM 729 O SER A 50 -19.913 8.900 4.453 1.00 0.00 O ATOM 730 CB SER A 50 -21.940 8.844 1.888 1.00 0.00 C ATOM 731 OG SER A 50 -22.810 8.215 0.960 1.00 0.00 O ATOM 0 H SER A 50 -23.347 7.032 2.813 1.00 0.00 H new ATOM 0 HA SER A 50 -20.511 7.372 2.516 1.00 0.00 H new ATOM 0 HB2 SER A 50 -22.468 9.647 2.401 1.00 0.00 H new ATOM 0 HB3 SER A 50 -21.104 9.300 1.358 1.00 0.00 H new ATOM 0 HG SER A 50 -22.319 7.526 0.466 1.00 0.00 H new ATOM 737 N GLU A 51 -22.077 8.719 5.066 1.00 0.00 N ATOM 738 CA GLU A 51 -21.904 9.379 6.355 1.00 0.00 C ATOM 739 C GLU A 51 -20.922 8.598 7.227 1.00 0.00 C ATOM 740 O GLU A 51 -20.026 9.177 7.846 1.00 0.00 O ATOM 741 CB GLU A 51 -23.265 9.505 7.052 1.00 0.00 C ATOM 742 CG GLU A 51 -23.371 10.677 8.015 1.00 0.00 C ATOM 743 CD GLU A 51 -23.006 10.304 9.436 1.00 0.00 C ATOM 744 OE1 GLU A 51 -23.712 9.464 10.035 1.00 0.00 O ATOM 745 OE2 GLU A 51 -22.013 10.847 9.960 1.00 0.00 O ATOM 0 H GLU A 51 -23.032 8.411 4.881 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.493 10.376 6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -24.041 9.603 6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -23.467 8.583 7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -22.717 11.480 7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -24.389 11.066 7.996 1.00 0.00 H new ATOM 752 N ASN A 52 -21.088 7.279 7.250 1.00 0.00 N ATOM 753 CA ASN A 52 -20.219 6.404 8.033 1.00 0.00 C ATOM 754 C ASN A 52 -18.767 6.541 7.589 1.00 0.00 C ATOM 755 O ASN A 52 -17.868 6.703 8.417 1.00 0.00 O ATOM 756 CB ASN A 52 -20.658 4.944 7.898 1.00 0.00 C ATOM 757 CG ASN A 52 -21.795 4.583 8.833 1.00 0.00 C ATOM 758 OD1 ASN A 52 -21.943 5.167 9.909 1.00 0.00 O ATOM 759 ND2 ASN A 52 -22.609 3.621 8.430 1.00 0.00 N ATOM 0 H ASN A 52 -21.819 6.790 6.733 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.300 6.706 9.077 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -20.966 4.756 6.869 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -19.807 4.293 8.100 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -23.394 3.338 9.017 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -22.452 3.163 7.532 1.00 0.00 H new ATOM 766 N MET A 53 -18.552 6.492 6.277 1.00 0.00 N ATOM 767 CA MET A 53 -17.211 6.607 5.704 1.00 0.00 C ATOM 768 C MET A 53 -16.602 7.978 5.995 1.00 0.00 C ATOM 769 O MET A 53 -15.387 8.108 6.166 1.00 0.00 O ATOM 770 CB MET A 53 -17.262 6.353 4.193 1.00 0.00 C ATOM 771 CG MET A 53 -15.922 6.514 3.487 1.00 0.00 C ATOM 772 SD MET A 53 -14.617 5.493 4.208 1.00 0.00 S ATOM 773 CE MET A 53 -15.308 3.851 4.022 1.00 0.00 C ATOM 0 H MET A 53 -19.293 6.373 5.586 1.00 0.00 H new ATOM 0 HA MET A 53 -16.575 5.854 6.169 1.00 0.00 H new ATOM 0 HB2 MET A 53 -17.633 5.343 4.018 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.981 7.039 3.745 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.039 6.255 2.435 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.620 7.561 3.526 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.537 3.107 4.223 1.00 0.00 H new ATOM 0 HE2 MET A 53 -16.130 3.720 4.726 1.00 0.00 H new ATOM 0 HE3 MET A 53 -15.678 3.725 3.004 1.00 0.00 H new ATOM 783 N THR A 54 -17.450 8.997 6.061 1.00 0.00 N ATOM 784 CA THR A 54 -16.992 10.348 6.343 1.00 0.00 C ATOM 785 C THR A 54 -16.306 10.398 7.707 1.00 0.00 C ATOM 786 O THR A 54 -15.226 10.977 7.854 1.00 0.00 O ATOM 787 CB THR A 54 -18.161 11.355 6.316 1.00 0.00 C ATOM 788 OG1 THR A 54 -18.862 11.266 5.066 1.00 0.00 O ATOM 789 CG2 THR A 54 -17.659 12.777 6.517 1.00 0.00 C ATOM 0 H THR A 54 -18.457 8.912 5.923 1.00 0.00 H new ATOM 0 HA THR A 54 -16.281 10.626 5.565 1.00 0.00 H new ATOM 0 HB THR A 54 -18.839 11.106 7.132 1.00 0.00 H new ATOM 0 HG1 THR A 54 -19.424 10.463 5.063 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.502 13.467 6.494 1.00 0.00 H new ATOM 0 HG22 THR A 54 -17.155 12.852 7.481 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.960 13.032 5.721 1.00 0.00 H new ATOM 797 N LYS A 55 -16.929 9.757 8.693 1.00 0.00 N ATOM 798 CA LYS A 55 -16.392 9.713 10.047 1.00 0.00 C ATOM 799 C LYS A 55 -15.045 9.005 10.065 1.00 0.00 C ATOM 800 O LYS A 55 -14.087 9.490 10.669 1.00 0.00 O ATOM 801 CB LYS A 55 -17.367 8.993 10.979 1.00 0.00 C ATOM 802 CG LYS A 55 -17.985 9.892 12.035 1.00 0.00 C ATOM 803 CD LYS A 55 -18.780 11.026 11.410 1.00 0.00 C ATOM 804 CE LYS A 55 -19.879 11.508 12.340 1.00 0.00 C ATOM 805 NZ LYS A 55 -21.016 10.550 12.390 1.00 0.00 N ATOM 0 H LYS A 55 -17.811 9.259 8.576 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.255 10.737 10.395 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -18.164 8.549 10.382 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.844 8.174 11.473 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -18.637 9.302 12.679 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -17.199 10.304 12.668 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.112 11.854 11.174 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -19.218 10.691 10.470 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.474 11.645 13.343 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.238 12.482 12.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -21.831 11.003 12.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.276 10.269 11.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -20.736 9.707 12.932 1.00 0.00 H new ATOM 819 N SER A 56 -14.977 7.866 9.384 1.00 0.00 N ATOM 820 CA SER A 56 -13.753 7.082 9.310 1.00 0.00 C ATOM 821 C SER A 56 -12.613 7.908 8.720 1.00 0.00 C ATOM 822 O SER A 56 -11.483 7.846 9.199 1.00 0.00 O ATOM 823 CB SER A 56 -13.994 5.828 8.472 1.00 0.00 C ATOM 824 OG SER A 56 -15.220 5.215 8.836 1.00 0.00 O ATOM 0 H SER A 56 -15.763 7.464 8.872 1.00 0.00 H new ATOM 0 HA SER A 56 -13.466 6.787 10.319 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.011 6.088 7.414 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.173 5.125 8.614 1.00 0.00 H new ATOM 0 HG SER A 56 -15.360 4.414 8.289 1.00 0.00 H new ATOM 830 N HIS A 57 -12.924 8.699 7.697 1.00 0.00 N ATOM 831 CA HIS A 57 -11.925 9.542 7.047 1.00 0.00 C ATOM 832 C HIS A 57 -11.431 10.627 7.999 1.00 0.00 C ATOM 833 O HIS A 57 -10.227 10.844 8.130 1.00 0.00 O ATOM 834 CB HIS A 57 -12.502 10.190 5.784 1.00 0.00 C ATOM 835 CG HIS A 57 -11.498 10.984 4.993 1.00 0.00 C ATOM 836 ND1 HIS A 57 -11.797 12.183 4.380 1.00 0.00 N ATOM 837 CD2 HIS A 57 -10.195 10.737 4.708 1.00 0.00 C ATOM 838 CE1 HIS A 57 -10.725 12.638 3.755 1.00 0.00 C ATOM 839 NE2 HIS A 57 -9.740 11.779 3.938 1.00 0.00 N ATOM 0 H HIS A 57 -13.861 8.774 7.300 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.084 8.907 6.768 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.919 9.411 5.146 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -13.326 10.845 6.067 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.622 9.879 5.028 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.665 13.557 3.190 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.794 11.874 3.568 1.00 0.00 H new ATOM 848 N GLN A 58 -12.365 11.297 8.660 1.00 0.00 N ATOM 849 CA GLN A 58 -12.026 12.366 9.592 1.00 0.00 C ATOM 850 C GLN A 58 -11.184 11.839 10.752 1.00 0.00 C ATOM 851 O GLN A 58 -10.168 12.432 11.112 1.00 0.00 O ATOM 852 CB GLN A 58 -13.295 13.033 10.130 1.00 0.00 C ATOM 853 CG GLN A 58 -14.127 13.718 9.059 1.00 0.00 C ATOM 854 CD GLN A 58 -13.359 14.802 8.328 1.00 0.00 C ATOM 855 OE1 GLN A 58 -12.467 15.437 8.887 1.00 0.00 O ATOM 856 NE2 GLN A 58 -13.698 15.021 7.071 1.00 0.00 N ATOM 0 H GLN A 58 -13.365 11.119 8.569 1.00 0.00 H new ATOM 0 HA GLN A 58 -11.439 13.106 9.049 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -13.907 12.281 10.627 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -13.016 13.767 10.886 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.471 12.974 8.340 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.015 14.153 9.517 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.444 14.474 6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -13.214 15.738 6.530 1.00 0.00 H new ATOM 865 N ASN A 59 -11.606 10.714 11.315 1.00 0.00 N ATOM 866 CA ASN A 59 -10.905 10.100 12.440 1.00 0.00 C ATOM 867 C ASN A 59 -9.529 9.576 12.026 1.00 0.00 C ATOM 868 O ASN A 59 -8.546 9.754 12.746 1.00 0.00 O ATOM 869 CB ASN A 59 -11.749 8.959 13.023 1.00 0.00 C ATOM 870 CG ASN A 59 -10.986 8.110 14.022 1.00 0.00 C ATOM 871 OD1 ASN A 59 -10.835 8.479 15.187 1.00 0.00 O ATOM 872 ND2 ASN A 59 -10.509 6.957 13.577 1.00 0.00 N ATOM 0 H ASN A 59 -12.435 10.204 11.010 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.755 10.866 13.200 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.631 9.378 13.508 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.103 8.324 12.211 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.996 6.340 14.207 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.655 6.686 12.604 1.00 0.00 H new ATOM 879 N LEU A 60 -9.463 8.952 10.853 1.00 0.00 N ATOM 880 CA LEU A 60 -8.217 8.381 10.342 1.00 0.00 C ATOM 881 C LEU A 60 -7.108 9.429 10.243 1.00 0.00 C ATOM 882 O LEU A 60 -5.961 9.165 10.613 1.00 0.00 O ATOM 883 CB LEU A 60 -8.461 7.744 8.972 1.00 0.00 C ATOM 884 CG LEU A 60 -7.257 7.035 8.349 1.00 0.00 C ATOM 885 CD1 LEU A 60 -6.757 5.919 9.256 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.622 6.484 6.979 1.00 0.00 C ATOM 0 H LEU A 60 -10.264 8.828 10.233 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.887 7.619 11.048 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.275 7.025 9.065 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.798 8.520 8.285 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.453 7.762 8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.901 5.429 8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.459 6.337 10.217 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.553 5.190 9.409 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.757 5.982 6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.442 5.773 7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.930 7.302 6.328 1.00 0.00 H new ATOM 898 N CYS A 61 -7.460 10.620 9.769 1.00 0.00 N ATOM 899 CA CYS A 61 -6.494 11.705 9.613 1.00 0.00 C ATOM 900 C CYS A 61 -5.875 12.118 10.951 1.00 0.00 C ATOM 901 O CYS A 61 -4.764 12.648 10.989 1.00 0.00 O ATOM 902 CB CYS A 61 -7.159 12.918 8.958 1.00 0.00 C ATOM 903 SG CYS A 61 -7.818 12.603 7.303 1.00 0.00 S ATOM 0 H CYS A 61 -8.410 10.860 9.485 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.693 11.335 8.973 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.970 13.263 9.599 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.432 13.728 8.899 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.863 11.835 7.391 1.00 0.00 H new ATOM 909 N THR A 62 -6.583 11.872 12.044 1.00 0.00 N ATOM 910 CA THR A 62 -6.085 12.239 13.361 1.00 0.00 C ATOM 911 C THR A 62 -5.739 11.010 14.199 1.00 0.00 C ATOM 912 O THR A 62 -5.689 11.079 15.427 1.00 0.00 O ATOM 913 CB THR A 62 -7.113 13.099 14.117 1.00 0.00 C ATOM 914 OG1 THR A 62 -8.196 13.452 13.243 1.00 0.00 O ATOM 915 CG2 THR A 62 -6.461 14.361 14.663 1.00 0.00 C ATOM 0 H THR A 62 -7.499 11.423 12.045 1.00 0.00 H new ATOM 0 HA THR A 62 -5.175 12.818 13.204 1.00 0.00 H new ATOM 0 HB THR A 62 -7.499 12.516 14.953 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.847 13.998 13.732 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.205 14.955 15.194 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.658 14.089 15.348 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.052 14.945 13.839 1.00 0.00 H new ATOM 923 N LYS A 63 -5.497 9.885 13.538 1.00 0.00 N ATOM 924 CA LYS A 63 -5.151 8.655 14.240 1.00 0.00 C ATOM 925 C LYS A 63 -3.958 7.977 13.583 1.00 0.00 C ATOM 926 O LYS A 63 -2.932 7.746 14.223 1.00 0.00 O ATOM 927 CB LYS A 63 -6.344 7.695 14.277 1.00 0.00 C ATOM 928 CG LYS A 63 -7.459 8.141 15.211 1.00 0.00 C ATOM 929 CD LYS A 63 -7.066 7.988 16.670 1.00 0.00 C ATOM 930 CE LYS A 63 -8.044 8.703 17.592 1.00 0.00 C ATOM 931 NZ LYS A 63 -9.422 8.151 17.492 1.00 0.00 N ATOM 0 H LYS A 63 -5.533 9.798 12.522 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.884 8.918 15.263 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.746 7.590 13.269 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.996 6.709 14.585 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.708 9.183 15.009 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.356 7.555 15.013 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.029 6.930 16.928 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.064 8.388 16.821 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.696 8.620 18.622 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.062 9.765 17.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.011 8.548 18.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.831 8.402 16.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.389 7.116 17.585 1.00 0.00 H new ATOM 945 N GLY A 64 -4.090 7.670 12.302 1.00 0.00 N ATOM 946 CA GLY A 64 -3.017 7.016 11.584 1.00 0.00 C ATOM 947 C GLY A 64 -3.365 5.589 11.218 1.00 0.00 C ATOM 948 O GLY A 64 -3.062 5.133 10.121 1.00 0.00 O ATOM 0 H GLY A 64 -4.923 7.863 11.746 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.792 7.578 10.677 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.115 7.023 12.195 1.00 0.00 H new ATOM 952 N GLN A 65 -4.011 4.884 12.134 1.00 0.00 N ATOM 953 CA GLN A 65 -4.402 3.504 11.893 1.00 0.00 C ATOM 954 C GLN A 65 -5.779 3.235 12.481 1.00 0.00 C ATOM 955 O GLN A 65 -6.024 3.502 13.657 1.00 0.00 O ATOM 956 CB GLN A 65 -3.372 2.542 12.497 1.00 0.00 C ATOM 957 CG GLN A 65 -2.979 1.395 11.574 1.00 0.00 C ATOM 958 CD GLN A 65 -4.109 0.406 11.332 1.00 0.00 C ATOM 959 OE1 GLN A 65 -4.973 0.205 12.184 1.00 0.00 O ATOM 960 NE2 GLN A 65 -4.108 -0.223 10.166 1.00 0.00 N ATOM 0 H GLN A 65 -4.275 5.245 13.051 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.442 3.339 10.816 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.477 3.104 12.762 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.775 2.129 13.422 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.651 1.803 10.618 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.128 0.866 12.004 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.375 -0.031 9.483 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.840 -0.900 9.951 1.00 0.00 H new ATOM 969 N VAL A 66 -6.676 2.726 11.653 1.00 0.00 N ATOM 970 CA VAL A 66 -8.024 2.404 12.090 1.00 0.00 C ATOM 971 C VAL A 66 -8.520 1.146 11.380 1.00 0.00 C ATOM 972 O VAL A 66 -8.280 0.954 10.184 1.00 0.00 O ATOM 973 CB VAL A 66 -9.008 3.580 11.849 1.00 0.00 C ATOM 974 CG1 VAL A 66 -9.260 3.803 10.363 1.00 0.00 C ATOM 975 CG2 VAL A 66 -10.318 3.348 12.590 1.00 0.00 C ATOM 0 H VAL A 66 -6.494 2.526 10.670 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.988 2.223 13.164 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.544 4.484 12.244 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.953 4.634 10.232 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.318 4.034 9.865 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.689 2.901 9.927 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.993 4.184 12.407 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.778 2.426 12.235 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.122 3.267 13.659 1.00 0.00 H new ATOM 985 N VAL A 67 -9.180 0.273 12.123 1.00 0.00 N ATOM 986 CA VAL A 67 -9.706 -0.955 11.557 1.00 0.00 C ATOM 987 C VAL A 67 -11.187 -0.805 11.245 1.00 0.00 C ATOM 988 O VAL A 67 -12.036 -0.892 12.136 1.00 0.00 O ATOM 989 CB VAL A 67 -9.504 -2.158 12.499 1.00 0.00 C ATOM 990 CG1 VAL A 67 -9.845 -3.457 11.786 1.00 0.00 C ATOM 991 CG2 VAL A 67 -8.077 -2.194 13.029 1.00 0.00 C ATOM 0 H VAL A 67 -9.364 0.393 13.119 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.152 -1.145 10.638 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.179 -2.045 13.348 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.696 -4.295 12.467 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.886 -3.432 11.463 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.198 -3.576 10.917 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.957 -3.051 13.692 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.381 -2.280 12.195 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.871 -1.277 13.581 1.00 0.00 H new ATOM 1001 N SER A 68 -11.491 -0.553 9.984 1.00 0.00 N ATOM 1002 CA SER A 68 -12.864 -0.400 9.548 1.00 0.00 C ATOM 1003 C SER A 68 -13.395 -1.745 9.074 1.00 0.00 C ATOM 1004 O SER A 68 -12.895 -2.305 8.099 1.00 0.00 O ATOM 1005 CB SER A 68 -12.942 0.642 8.432 1.00 0.00 C ATOM 1006 OG SER A 68 -12.119 1.758 8.735 1.00 0.00 O ATOM 0 H SER A 68 -10.799 -0.450 9.241 1.00 0.00 H new ATOM 0 HA SER A 68 -13.479 -0.054 10.379 1.00 0.00 H new ATOM 0 HB2 SER A 68 -12.628 0.197 7.488 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.974 0.968 8.303 1.00 0.00 H new ATOM 0 HG SER A 68 -12.179 2.415 8.010 1.00 0.00 H new ATOM 1012 N GLY A 69 -14.387 -2.269 9.786 1.00 0.00 N ATOM 1013 CA GLY A 69 -14.964 -3.554 9.438 1.00 0.00 C ATOM 1014 C GLY A 69 -15.679 -3.531 8.104 1.00 0.00 C ATOM 1015 O GLY A 69 -15.733 -2.489 7.441 1.00 0.00 O ATOM 0 H GLY A 69 -14.804 -1.823 10.603 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.176 -4.306 9.410 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.665 -3.856 10.216 1.00 0.00 H new ATOM 1019 N GLN A 70 -16.235 -4.675 7.722 1.00 0.00 N ATOM 1020 CA GLN A 70 -16.948 -4.813 6.459 1.00 0.00 C ATOM 1021 C GLN A 70 -18.047 -3.768 6.344 1.00 0.00 C ATOM 1022 O GLN A 70 -19.088 -3.877 6.990 1.00 0.00 O ATOM 1023 CB GLN A 70 -17.550 -6.213 6.338 1.00 0.00 C ATOM 1024 CG GLN A 70 -16.537 -7.330 6.521 1.00 0.00 C ATOM 1025 CD GLN A 70 -17.162 -8.703 6.400 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -18.103 -8.904 5.636 1.00 0.00 O ATOM 1027 NE2 GLN A 70 -16.653 -9.656 7.160 1.00 0.00 N ATOM 0 H GLN A 70 -16.204 -5.530 8.277 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.235 -4.661 5.649 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -18.340 -6.325 7.081 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -18.017 -6.315 5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.748 -7.226 5.776 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.067 -7.233 7.499 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.871 -9.449 7.782 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.042 -10.598 7.125 1.00 0.00 H new ATOM 1036 N TYR A 71 -17.799 -2.748 5.538 1.00 0.00 N ATOM 1037 CA TYR A 71 -18.761 -1.677 5.345 1.00 0.00 C ATOM 1038 C TYR A 71 -19.562 -1.881 4.067 1.00 0.00 C ATOM 1039 O TYR A 71 -19.271 -2.778 3.274 1.00 0.00 O ATOM 1040 CB TYR A 71 -18.057 -0.314 5.318 1.00 0.00 C ATOM 1041 CG TYR A 71 -16.816 -0.255 4.447 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -16.869 -0.555 3.091 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -15.590 0.113 4.986 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -15.739 -0.492 2.301 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -14.457 0.180 4.201 1.00 0.00 C ATOM 1046 CZ TYR A 71 -14.538 -0.123 2.859 1.00 0.00 C ATOM 1047 OH TYR A 71 -13.412 -0.058 2.073 1.00 0.00 O ATOM 0 H TYR A 71 -16.936 -2.640 5.005 1.00 0.00 H new ATOM 0 HA TYR A 71 -19.453 -1.697 6.187 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -18.765 0.438 4.969 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -17.781 -0.043 6.337 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -17.811 -0.842 2.648 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -15.522 0.351 6.037 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -15.798 -0.731 1.250 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.512 0.468 4.636 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.711 -0.625 2.457 1.00 0.00 H new ATOM 1057 N ARG A 72 -20.564 -1.036 3.875 1.00 0.00 N ATOM 1058 CA ARG A 72 -21.418 -1.105 2.699 1.00 0.00 C ATOM 1059 C ARG A 72 -20.746 -0.467 1.486 1.00 0.00 C ATOM 1060 O ARG A 72 -21.009 0.690 1.161 1.00 0.00 O ATOM 1061 CB ARG A 72 -22.748 -0.403 2.977 1.00 0.00 C ATOM 1062 CG ARG A 72 -23.753 -1.258 3.728 1.00 0.00 C ATOM 1063 CD ARG A 72 -24.353 -2.318 2.823 1.00 0.00 C ATOM 1064 NE ARG A 72 -25.612 -2.843 3.345 1.00 0.00 N ATOM 1065 CZ ARG A 72 -26.244 -3.896 2.826 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -25.744 -4.499 1.753 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -27.369 -4.339 3.370 1.00 0.00 N ATOM 0 H ARG A 72 -20.807 -0.288 4.525 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.597 -2.157 2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -22.556 0.503 3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -23.188 -0.092 2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -23.266 -1.735 4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -24.546 -0.626 4.128 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -24.521 -1.895 1.833 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -23.642 -3.136 2.704 1.00 0.00 H new ATOM 0 HE ARG A 72 -26.031 -2.379 4.151 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -24.881 -4.156 1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -26.223 -5.305 1.351 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.756 -3.874 4.191 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -27.847 -5.145 2.968 1.00 0.00 H new ATOM 1081 N MET A 73 -19.879 -1.219 0.822 1.00 0.00 N ATOM 1082 CA MET A 73 -19.184 -0.721 -0.359 1.00 0.00 C ATOM 1083 C MET A 73 -20.083 -0.859 -1.583 1.00 0.00 C ATOM 1084 O MET A 73 -20.921 -1.756 -1.640 1.00 0.00 O ATOM 1085 CB MET A 73 -17.874 -1.486 -0.569 1.00 0.00 C ATOM 1086 CG MET A 73 -16.937 -0.832 -1.571 1.00 0.00 C ATOM 1087 SD MET A 73 -16.504 0.859 -1.115 1.00 0.00 S ATOM 1088 CE MET A 73 -15.388 1.289 -2.449 1.00 0.00 C ATOM 0 H MET A 73 -19.640 -2.176 1.080 1.00 0.00 H new ATOM 0 HA MET A 73 -18.946 0.332 -0.212 1.00 0.00 H new ATOM 0 HB2 MET A 73 -17.361 -1.579 0.388 1.00 0.00 H new ATOM 0 HB3 MET A 73 -18.104 -2.497 -0.906 1.00 0.00 H new ATOM 0 HG2 MET A 73 -16.027 -1.426 -1.653 1.00 0.00 H new ATOM 0 HG3 MET A 73 -17.407 -0.830 -2.555 1.00 0.00 H new ATOM 0 HE1 MET A 73 -15.032 2.310 -2.311 1.00 0.00 H new ATOM 0 HE2 MET A 73 -14.539 0.605 -2.448 1.00 0.00 H new ATOM 0 HE3 MET A 73 -15.913 1.214 -3.401 1.00 0.00 H new ATOM 1098 N LEU A 74 -19.912 0.022 -2.557 1.00 0.00 N ATOM 1099 CA LEU A 74 -20.730 -0.005 -3.763 1.00 0.00 C ATOM 1100 C LEU A 74 -19.968 -0.634 -4.926 1.00 0.00 C ATOM 1101 O LEU A 74 -18.766 -0.417 -5.081 1.00 0.00 O ATOM 1102 CB LEU A 74 -21.167 1.417 -4.130 1.00 0.00 C ATOM 1103 CG LEU A 74 -22.121 1.526 -5.325 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -23.486 0.950 -4.980 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -22.250 2.974 -5.768 1.00 0.00 C ATOM 0 H LEU A 74 -19.214 0.766 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 74 -21.613 -0.613 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.648 1.866 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -20.277 2.009 -4.343 1.00 0.00 H new ATOM 0 HG LEU A 74 -21.706 0.946 -6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.147 1.038 -5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.380 -0.101 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.911 1.499 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -22.931 3.035 -6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -22.641 3.573 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -21.271 3.354 -6.059 1.00 0.00 H new ATOM 1117 N ALA A 75 -20.674 -1.426 -5.723 1.00 0.00 N ATOM 1118 CA ALA A 75 -20.085 -2.084 -6.879 1.00 0.00 C ATOM 1119 C ALA A 75 -20.430 -1.324 -8.160 1.00 0.00 C ATOM 1120 O ALA A 75 -21.192 -0.361 -8.129 1.00 0.00 O ATOM 1121 CB ALA A 75 -20.565 -3.526 -6.963 1.00 0.00 C ATOM 0 H ALA A 75 -21.664 -1.629 -5.587 1.00 0.00 H new ATOM 0 HA ALA A 75 -19.001 -2.086 -6.766 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -20.118 -4.008 -7.832 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -20.271 -4.061 -6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -21.651 -3.543 -7.057 1.00 0.00 H new ATOM 1127 N LYS A 76 -19.891 -1.782 -9.287 1.00 0.00 N ATOM 1128 CA LYS A 76 -20.122 -1.138 -10.582 1.00 0.00 C ATOM 1129 C LYS A 76 -21.404 -1.654 -11.250 1.00 0.00 C ATOM 1130 O LYS A 76 -21.522 -1.661 -12.476 1.00 0.00 O ATOM 1131 CB LYS A 76 -18.911 -1.377 -11.496 1.00 0.00 C ATOM 1132 CG LYS A 76 -18.843 -0.440 -12.695 1.00 0.00 C ATOM 1133 CD LYS A 76 -17.602 -0.696 -13.539 1.00 0.00 C ATOM 1134 CE LYS A 76 -17.660 -2.045 -14.246 1.00 0.00 C ATOM 1135 NZ LYS A 76 -18.481 -1.998 -15.484 1.00 0.00 N ATOM 0 H LYS A 76 -19.287 -2.602 -9.331 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.249 -0.069 -10.414 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.999 -1.266 -10.909 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -18.937 -2.406 -11.854 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.734 -0.570 -13.309 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.841 0.594 -12.350 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -17.497 0.097 -14.279 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -16.717 -0.658 -12.904 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.649 -2.366 -14.495 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -18.073 -2.791 -13.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -18.491 -2.938 -15.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -19.454 -1.718 -15.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.074 -1.306 -16.145 1.00 0.00 H new ATOM 1149 N HIS A 77 -22.366 -2.079 -10.445 1.00 0.00 N ATOM 1150 CA HIS A 77 -23.630 -2.583 -10.976 1.00 0.00 C ATOM 1151 C HIS A 77 -24.741 -2.469 -9.941 1.00 0.00 C ATOM 1152 O HIS A 77 -25.558 -3.377 -9.793 1.00 0.00 O ATOM 1153 CB HIS A 77 -23.498 -4.038 -11.466 1.00 0.00 C ATOM 1154 CG HIS A 77 -22.942 -5.009 -10.461 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -23.697 -5.584 -9.463 1.00 0.00 N ATOM 1156 CD2 HIS A 77 -21.699 -5.529 -10.332 1.00 0.00 C ATOM 1157 CE1 HIS A 77 -22.944 -6.413 -8.764 1.00 0.00 C ATOM 1158 NE2 HIS A 77 -21.725 -6.404 -9.269 1.00 0.00 N ATOM 0 H HIS A 77 -22.300 -2.086 -9.427 1.00 0.00 H new ATOM 0 HA HIS A 77 -23.892 -1.963 -11.834 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -24.481 -4.389 -11.779 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -22.859 -4.050 -12.349 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -24.685 -5.398 -9.291 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -20.843 -5.300 -10.950 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -23.271 -7.001 -7.919 1.00 0.00 H new ATOM 1167 N GLY A 78 -24.760 -1.348 -9.225 1.00 0.00 N ATOM 1168 CA GLY A 78 -25.774 -1.120 -8.207 1.00 0.00 C ATOM 1169 C GLY A 78 -25.769 -2.185 -7.132 1.00 0.00 C ATOM 1170 O GLY A 78 -26.778 -2.416 -6.468 1.00 0.00 O ATOM 0 H GLY A 78 -24.087 -0.589 -9.332 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -25.610 -0.145 -7.748 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.756 -1.089 -8.678 1.00 0.00 H new ATOM 1174 N GLY A 79 -24.629 -2.831 -6.965 1.00 0.00 N ATOM 1175 CA GLY A 79 -24.509 -3.874 -5.978 1.00 0.00 C ATOM 1176 C GLY A 79 -23.743 -3.409 -4.768 1.00 0.00 C ATOM 1177 O GLY A 79 -23.062 -2.385 -4.820 1.00 0.00 O ATOM 0 H GLY A 79 -23.780 -2.649 -7.500 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -25.502 -4.205 -5.675 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.007 -4.736 -6.418 1.00 0.00 H new ATOM 1181 N TYR A 80 -23.837 -4.157 -3.687 1.00 0.00 N ATOM 1182 CA TYR A 80 -23.147 -3.797 -2.463 1.00 0.00 C ATOM 1183 C TYR A 80 -22.223 -4.913 -2.010 1.00 0.00 C ATOM 1184 O TYR A 80 -22.571 -6.088 -2.069 1.00 0.00 O ATOM 1185 CB TYR A 80 -24.145 -3.450 -1.361 1.00 0.00 C ATOM 1186 CG TYR A 80 -24.458 -1.973 -1.296 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -25.395 -1.401 -2.146 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -23.806 -1.147 -0.391 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -25.671 -0.049 -2.095 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -24.078 0.206 -0.333 1.00 0.00 C ATOM 1191 CZ TYR A 80 -25.010 0.750 -1.187 1.00 0.00 C ATOM 1192 OH TYR A 80 -25.285 2.098 -1.130 1.00 0.00 O ATOM 0 H TYR A 80 -24.383 -5.017 -3.630 1.00 0.00 H new ATOM 0 HA TYR A 80 -22.540 -2.915 -2.669 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -25.068 -4.005 -1.526 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -23.745 -3.774 -0.400 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -25.916 -2.023 -2.858 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -23.073 -1.570 0.280 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -26.402 0.381 -2.764 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -23.562 0.834 0.379 1.00 0.00 H new ATOM 0 HH TYR A 80 -26.196 2.232 -0.794 1.00 0.00 H new ATOM 1202 N VAL A 81 -21.040 -4.530 -1.567 1.00 0.00 N ATOM 1203 CA VAL A 81 -20.045 -5.482 -1.104 1.00 0.00 C ATOM 1204 C VAL A 81 -19.590 -5.129 0.301 1.00 0.00 C ATOM 1205 O VAL A 81 -19.448 -3.955 0.639 1.00 0.00 O ATOM 1206 CB VAL A 81 -18.804 -5.526 -2.028 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -18.607 -6.922 -2.591 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -18.908 -4.505 -3.154 1.00 0.00 C ATOM 0 H VAL A 81 -20.742 -3.556 -1.518 1.00 0.00 H new ATOM 0 HA VAL A 81 -20.520 -6.463 -1.115 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.934 -5.266 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.730 -6.933 -3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.463 -7.627 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -19.486 -7.209 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -18.019 -4.565 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -19.792 -4.715 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.987 -3.504 -2.731 1.00 0.00 H new ATOM 1218 N TRP A 82 -19.380 -6.143 1.121 1.00 0.00 N ATOM 1219 CA TRP A 82 -18.928 -5.937 2.487 1.00 0.00 C ATOM 1220 C TRP A 82 -17.410 -6.080 2.545 1.00 0.00 C ATOM 1221 O TRP A 82 -16.874 -7.190 2.615 1.00 0.00 O ATOM 1222 CB TRP A 82 -19.608 -6.931 3.428 1.00 0.00 C ATOM 1223 CG TRP A 82 -21.099 -6.772 3.498 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -22.025 -7.302 2.643 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -21.835 -6.031 4.478 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -23.291 -6.941 3.037 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -23.200 -6.156 4.158 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -21.472 -5.270 5.592 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -24.199 -5.557 4.919 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -22.465 -4.675 6.345 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -23.814 -4.817 6.002 1.00 0.00 C ATOM 0 H TRP A 82 -19.516 -7.121 0.864 1.00 0.00 H new ATOM 0 HA TRP A 82 -19.199 -4.932 2.811 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -19.374 -7.945 3.102 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -19.192 -6.814 4.428 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -21.795 -7.915 1.784 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -24.157 -7.213 2.572 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -20.433 -5.149 5.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -25.242 -5.673 4.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -22.196 -4.091 7.213 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -24.567 -4.332 6.605 1.00 0.00 H new ATOM 1242 N LEU A 83 -16.724 -4.947 2.492 1.00 0.00 N ATOM 1243 CA LEU A 83 -15.267 -4.927 2.504 1.00 0.00 C ATOM 1244 C LEU A 83 -14.721 -4.369 3.814 1.00 0.00 C ATOM 1245 O LEU A 83 -15.209 -3.356 4.321 1.00 0.00 O ATOM 1246 CB LEU A 83 -14.748 -4.084 1.332 1.00 0.00 C ATOM 1247 CG LEU A 83 -14.444 -4.851 0.037 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -15.686 -5.549 -0.493 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -13.882 -3.909 -1.018 1.00 0.00 C ATOM 0 H LEU A 83 -17.156 -4.024 2.440 1.00 0.00 H new ATOM 0 HA LEU A 83 -14.921 -5.956 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.485 -3.313 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.839 -3.574 1.651 1.00 0.00 H new ATOM 0 HG LEU A 83 -13.698 -5.612 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -15.439 -6.084 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.052 -6.256 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.459 -4.809 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.672 -4.468 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -14.610 -3.126 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.961 -3.457 -0.649 1.00 0.00 H new ATOM 1261 N GLU A 84 -13.717 -5.048 4.355 1.00 0.00 N ATOM 1262 CA GLU A 84 -13.067 -4.635 5.594 1.00 0.00 C ATOM 1263 C GLU A 84 -11.735 -3.977 5.251 1.00 0.00 C ATOM 1264 O GLU A 84 -10.939 -4.547 4.514 1.00 0.00 O ATOM 1265 CB GLU A 84 -12.850 -5.851 6.502 1.00 0.00 C ATOM 1266 CG GLU A 84 -12.268 -5.516 7.866 1.00 0.00 C ATOM 1267 CD GLU A 84 -12.579 -6.577 8.900 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -13.722 -6.605 9.403 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -11.684 -7.391 9.218 1.00 0.00 O ATOM 0 H GLU A 84 -13.330 -5.900 3.948 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.697 -3.922 6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.803 -6.360 6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.185 -6.552 5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.187 -5.402 7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.664 -4.558 8.202 1.00 0.00 H new ATOM 1276 N THR A 85 -11.477 -2.795 5.781 1.00 0.00 N ATOM 1277 CA THR A 85 -10.246 -2.092 5.452 1.00 0.00 C ATOM 1278 C THR A 85 -9.431 -1.689 6.675 1.00 0.00 C ATOM 1279 O THR A 85 -9.945 -1.086 7.620 1.00 0.00 O ATOM 1280 CB THR A 85 -10.550 -0.828 4.631 1.00 0.00 C ATOM 1281 OG1 THR A 85 -11.598 -1.097 3.695 1.00 0.00 O ATOM 1282 CG2 THR A 85 -9.313 -0.348 3.886 1.00 0.00 C ATOM 0 H THR A 85 -12.092 -2.306 6.432 1.00 0.00 H new ATOM 0 HA THR A 85 -9.651 -2.798 4.873 1.00 0.00 H new ATOM 0 HB THR A 85 -10.864 -0.044 5.320 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.498 -2.007 3.344 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.557 0.547 3.314 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.524 -0.117 4.602 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.970 -1.130 3.208 1.00 0.00 H new ATOM 1290 N GLN A 86 -8.153 -2.042 6.645 1.00 0.00 N ATOM 1291 CA GLN A 86 -7.228 -1.677 7.705 1.00 0.00 C ATOM 1292 C GLN A 86 -6.460 -0.437 7.260 1.00 0.00 C ATOM 1293 O GLN A 86 -5.383 -0.537 6.667 1.00 0.00 O ATOM 1294 CB GLN A 86 -6.260 -2.823 8.022 1.00 0.00 C ATOM 1295 CG GLN A 86 -6.590 -3.569 9.307 1.00 0.00 C ATOM 1296 CD GLN A 86 -5.519 -4.576 9.685 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -5.566 -5.737 9.279 1.00 0.00 O ATOM 1298 NE2 GLN A 86 -4.545 -4.140 10.472 1.00 0.00 N ATOM 0 H GLN A 86 -7.732 -2.585 5.891 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.787 -1.469 8.618 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -6.264 -3.529 7.192 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.249 -2.422 8.095 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.713 -2.852 10.119 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.543 -4.084 9.190 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.540 -3.170 10.788 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.800 -4.774 10.761 1.00 0.00 H new ATOM 1307 N GLY A 87 -7.044 0.725 7.521 1.00 0.00 N ATOM 1308 CA GLY A 87 -6.438 1.980 7.123 1.00 0.00 C ATOM 1309 C GLY A 87 -5.135 2.263 7.837 1.00 0.00 C ATOM 1310 O GLY A 87 -5.131 2.641 9.007 1.00 0.00 O ATOM 0 H GLY A 87 -7.936 0.820 8.006 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.260 1.966 6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.137 2.793 7.320 1.00 0.00 H new ATOM 1314 N THR A 88 -4.032 2.073 7.131 1.00 0.00 N ATOM 1315 CA THR A 88 -2.713 2.316 7.685 1.00 0.00 C ATOM 1316 C THR A 88 -2.075 3.522 7.003 1.00 0.00 C ATOM 1317 O THR A 88 -1.508 3.408 5.920 1.00 0.00 O ATOM 1318 CB THR A 88 -1.810 1.082 7.511 1.00 0.00 C ATOM 1319 OG1 THR A 88 -2.569 -0.111 7.763 1.00 0.00 O ATOM 1320 CG2 THR A 88 -0.621 1.143 8.457 1.00 0.00 C ATOM 0 H THR A 88 -4.027 1.748 6.164 1.00 0.00 H new ATOM 0 HA THR A 88 -2.822 2.518 8.751 1.00 0.00 H new ATOM 0 HB THR A 88 -1.435 1.069 6.487 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.958 -0.866 7.893 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.002 0.260 8.315 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.035 2.038 8.248 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.977 1.175 9.487 1.00 0.00 H new ATOM 1328 N VAL A 89 -2.184 4.676 7.636 1.00 0.00 N ATOM 1329 CA VAL A 89 -1.641 5.907 7.088 1.00 0.00 C ATOM 1330 C VAL A 89 -0.194 6.114 7.505 1.00 0.00 C ATOM 1331 O VAL A 89 0.150 5.989 8.682 1.00 0.00 O ATOM 1332 CB VAL A 89 -2.456 7.131 7.549 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -1.968 8.391 6.859 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -3.936 6.921 7.292 1.00 0.00 C ATOM 0 H VAL A 89 -2.648 4.787 8.538 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.697 5.812 6.004 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.310 7.250 8.623 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.557 9.243 7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.918 8.555 7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.078 8.281 5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.491 7.798 7.625 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.102 6.770 6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.280 6.044 7.840 1.00 0.00 H new ATOM 1344 N ILE A 90 0.650 6.413 6.533 1.00 0.00 N ATOM 1345 CA ILE A 90 2.047 6.681 6.797 1.00 0.00 C ATOM 1346 C ILE A 90 2.303 8.173 6.603 1.00 0.00 C ATOM 1347 O ILE A 90 1.669 8.814 5.760 1.00 0.00 O ATOM 1348 CB ILE A 90 2.978 5.824 5.897 1.00 0.00 C ATOM 1349 CG1 ILE A 90 4.066 5.164 6.747 1.00 0.00 C ATOM 1350 CG2 ILE A 90 3.606 6.647 4.779 1.00 0.00 C ATOM 1351 CD1 ILE A 90 3.529 4.195 7.779 1.00 0.00 C ATOM 0 H ILE A 90 0.387 6.476 5.549 1.00 0.00 H new ATOM 0 HA ILE A 90 2.276 6.403 7.826 1.00 0.00 H new ATOM 0 HB ILE A 90 2.367 5.053 5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.757 4.635 6.090 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.639 5.940 7.254 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.249 6.008 4.174 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.820 7.068 4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.198 7.454 5.210 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.358 3.767 8.343 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.861 4.722 8.460 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.981 3.397 7.278 1.00 0.00 H new ATOM 1363 N TYR A 91 3.192 8.734 7.400 1.00 0.00 N ATOM 1364 CA TYR A 91 3.491 10.151 7.308 1.00 0.00 C ATOM 1365 C TYR A 91 4.847 10.381 6.661 1.00 0.00 C ATOM 1366 O TYR A 91 5.824 9.708 6.995 1.00 0.00 O ATOM 1367 CB TYR A 91 3.457 10.791 8.699 1.00 0.00 C ATOM 1368 CG TYR A 91 2.080 10.814 9.330 1.00 0.00 C ATOM 1369 CD1 TYR A 91 1.589 9.712 10.019 1.00 0.00 C ATOM 1370 CD2 TYR A 91 1.271 11.941 9.236 1.00 0.00 C ATOM 1371 CE1 TYR A 91 0.334 9.731 10.597 1.00 0.00 C ATOM 1372 CE2 TYR A 91 0.013 11.968 9.811 1.00 0.00 C ATOM 1373 CZ TYR A 91 -0.450 10.860 10.490 1.00 0.00 C ATOM 1374 OH TYR A 91 -1.701 10.881 11.070 1.00 0.00 O ATOM 0 H TYR A 91 3.718 8.233 8.116 1.00 0.00 H new ATOM 0 HA TYR A 91 2.730 10.618 6.682 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.138 10.248 9.355 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.830 11.813 8.628 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.199 8.825 10.104 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.631 12.810 8.705 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.031 8.866 11.130 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.603 12.851 9.729 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.124 11.749 10.904 1.00 0.00 H new ATOM 1384 N ASN A 92 4.888 11.308 5.712 1.00 0.00 N ATOM 1385 CA ASN A 92 6.128 11.656 5.026 1.00 0.00 C ATOM 1386 C ASN A 92 7.111 12.248 6.036 1.00 0.00 C ATOM 1387 O ASN A 92 6.764 13.174 6.759 1.00 0.00 O ATOM 1388 CB ASN A 92 5.845 12.665 3.906 1.00 0.00 C ATOM 1389 CG ASN A 92 7.041 12.908 3.000 1.00 0.00 C ATOM 1390 OD1 ASN A 92 8.011 13.557 3.392 1.00 0.00 O ATOM 1391 ND2 ASN A 92 6.965 12.417 1.774 1.00 0.00 N ATOM 0 H ASN A 92 4.073 11.835 5.398 1.00 0.00 H new ATOM 0 HA ASN A 92 6.562 10.761 4.581 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.010 12.306 3.305 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.535 13.612 4.349 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.728 12.571 1.115 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.144 11.884 1.488 1.00 0.00 H new ATOM 1398 N PRO A 93 8.341 11.721 6.103 1.00 0.00 N ATOM 1399 CA PRO A 93 9.358 12.195 7.053 1.00 0.00 C ATOM 1400 C PRO A 93 9.700 13.676 6.893 1.00 0.00 C ATOM 1401 O PRO A 93 10.005 14.359 7.871 1.00 0.00 O ATOM 1402 CB PRO A 93 10.584 11.329 6.736 1.00 0.00 C ATOM 1403 CG PRO A 93 10.039 10.132 6.037 1.00 0.00 C ATOM 1404 CD PRO A 93 8.841 10.616 5.274 1.00 0.00 C ATOM 0 HA PRO A 93 9.003 12.107 8.080 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.294 11.865 6.106 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.115 11.048 7.646 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.781 9.699 5.366 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.761 9.355 6.750 1.00 0.00 H new ATOM 0 HD2 PRO A 93 9.110 10.953 4.273 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.094 9.831 5.156 1.00 0.00 H new ATOM 1412 N ARG A 94 9.630 14.179 5.669 1.00 0.00 N ATOM 1413 CA ARG A 94 9.964 15.572 5.409 1.00 0.00 C ATOM 1414 C ARG A 94 8.723 16.454 5.328 1.00 0.00 C ATOM 1415 O ARG A 94 8.584 17.412 6.082 1.00 0.00 O ATOM 1416 CB ARG A 94 10.755 15.694 4.109 1.00 0.00 C ATOM 1417 CG ARG A 94 12.100 14.988 4.142 1.00 0.00 C ATOM 1418 CD ARG A 94 13.005 15.466 3.019 1.00 0.00 C ATOM 1419 NE ARG A 94 12.439 15.198 1.698 1.00 0.00 N ATOM 1420 CZ ARG A 94 12.931 14.301 0.847 1.00 0.00 C ATOM 1421 NH1 ARG A 94 13.945 13.528 1.208 1.00 0.00 N ATOM 1422 NH2 ARG A 94 12.399 14.163 -0.360 1.00 0.00 N ATOM 0 H ARG A 94 9.347 13.648 4.845 1.00 0.00 H new ATOM 0 HA ARG A 94 10.570 15.916 6.247 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.160 15.285 3.293 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.914 16.750 3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 94 12.583 15.168 5.102 1.00 0.00 H new ATOM 0 HG3 ARG A 94 11.950 13.912 4.057 1.00 0.00 H new ATOM 0 HD2 ARG A 94 13.179 16.537 3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 94 13.975 14.975 3.103 1.00 0.00 H new ATOM 0 HE ARG A 94 11.618 15.731 1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 94 14.350 13.620 2.140 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.321 12.841 0.554 1.00 0.00 H new ATOM 0 HH21 ARG A 94 11.610 14.746 -0.639 1.00 0.00 H new ATOM 0 HH22 ARG A 94 12.779 13.474 -1.009 1.00 0.00 H new ATOM 1436 N ASN A 95 7.816 16.113 4.425 1.00 0.00 N ATOM 1437 CA ASN A 95 6.605 16.907 4.218 1.00 0.00 C ATOM 1438 C ASN A 95 5.604 16.745 5.359 1.00 0.00 C ATOM 1439 O ASN A 95 4.739 17.600 5.545 1.00 0.00 O ATOM 1440 CB ASN A 95 5.942 16.530 2.888 1.00 0.00 C ATOM 1441 CG ASN A 95 5.292 17.715 2.189 1.00 0.00 C ATOM 1442 OD1 ASN A 95 5.349 17.831 0.962 1.00 0.00 O ATOM 1443 ND2 ASN A 95 4.658 18.591 2.952 1.00 0.00 N ATOM 0 H ASN A 95 7.891 15.294 3.822 1.00 0.00 H new ATOM 0 HA ASN A 95 6.909 17.953 4.193 1.00 0.00 H new ATOM 0 HB2 ASN A 95 6.690 16.091 2.227 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.188 15.764 3.069 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.195 19.395 2.529 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.632 18.462 3.963 1.00 0.00 H new ATOM 1450 N LEU A 96 5.726 15.655 6.114 1.00 0.00 N ATOM 1451 CA LEU A 96 4.823 15.369 7.233 1.00 0.00 C ATOM 1452 C LEU A 96 3.379 15.268 6.750 1.00 0.00 C ATOM 1453 O LEU A 96 2.440 15.656 7.450 1.00 0.00 O ATOM 1454 CB LEU A 96 4.952 16.434 8.327 1.00 0.00 C ATOM 1455 CG LEU A 96 6.269 16.414 9.106 1.00 0.00 C ATOM 1456 CD1 LEU A 96 6.264 17.487 10.182 1.00 0.00 C ATOM 1457 CD2 LEU A 96 6.505 15.045 9.723 1.00 0.00 C ATOM 0 H LEU A 96 6.447 14.948 5.971 1.00 0.00 H new ATOM 0 HA LEU A 96 5.110 14.408 7.660 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.834 17.417 7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.130 16.309 9.032 1.00 0.00 H new ATOM 0 HG LEU A 96 7.083 16.622 8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.207 17.460 10.727 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.140 18.466 9.719 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.440 17.306 10.873 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.446 15.051 10.273 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.688 14.807 10.405 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.550 14.294 8.935 1.00 0.00 H new ATOM 1469 N GLN A 97 3.210 14.732 5.549 1.00 0.00 N ATOM 1470 CA GLN A 97 1.891 14.580 4.960 1.00 0.00 C ATOM 1471 C GLN A 97 1.427 13.128 5.018 1.00 0.00 C ATOM 1472 O GLN A 97 2.213 12.206 4.794 1.00 0.00 O ATOM 1473 CB GLN A 97 1.895 15.068 3.507 1.00 0.00 C ATOM 1474 CG GLN A 97 2.905 14.355 2.618 1.00 0.00 C ATOM 1475 CD GLN A 97 2.569 14.460 1.143 1.00 0.00 C ATOM 1476 OE1 GLN A 97 1.962 15.434 0.697 1.00 0.00 O ATOM 1477 NE2 GLN A 97 2.963 13.458 0.377 1.00 0.00 N ATOM 0 H GLN A 97 3.974 14.395 4.963 1.00 0.00 H new ATOM 0 HA GLN A 97 1.195 15.187 5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.898 14.934 3.087 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.106 16.137 3.494 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.895 14.776 2.791 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.952 13.303 2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.464 12.669 0.786 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.767 13.473 -0.624 1.00 0.00 H new ATOM 1486 N PRO A 98 0.146 12.914 5.339 1.00 0.00 N ATOM 1487 CA PRO A 98 -0.454 11.588 5.406 1.00 0.00 C ATOM 1488 C PRO A 98 -1.097 11.202 4.072 1.00 0.00 C ATOM 1489 O PRO A 98 -2.240 10.748 4.021 1.00 0.00 O ATOM 1490 CB PRO A 98 -1.515 11.775 6.488 1.00 0.00 C ATOM 1491 CG PRO A 98 -1.956 13.198 6.357 1.00 0.00 C ATOM 1492 CD PRO A 98 -0.828 13.959 5.697 1.00 0.00 C ATOM 0 HA PRO A 98 0.262 10.794 5.619 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -2.350 11.089 6.345 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.107 11.578 7.479 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.866 13.265 5.760 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -2.184 13.621 7.335 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.174 14.501 4.817 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.393 14.695 6.374 1.00 0.00 H new ATOM 1500 N GLN A 99 -0.352 11.395 2.993 1.00 0.00 N ATOM 1501 CA GLN A 99 -0.840 11.100 1.652 1.00 0.00 C ATOM 1502 C GLN A 99 -0.779 9.605 1.347 1.00 0.00 C ATOM 1503 O GLN A 99 -1.602 9.082 0.592 1.00 0.00 O ATOM 1504 CB GLN A 99 -0.017 11.883 0.632 1.00 0.00 C ATOM 1505 CG GLN A 99 -0.481 11.716 -0.803 1.00 0.00 C ATOM 1506 CD GLN A 99 0.136 12.743 -1.727 1.00 0.00 C ATOM 1507 OE1 GLN A 99 1.241 12.556 -2.232 1.00 0.00 O ATOM 1508 NE2 GLN A 99 -0.577 13.829 -1.965 1.00 0.00 N ATOM 0 H GLN A 99 0.601 11.758 3.021 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.886 11.402 1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -0.049 12.941 0.891 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.024 11.569 0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.225 10.716 -1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.567 11.799 -0.844 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.490 13.946 -1.526 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.215 14.551 -2.588 1.00 0.00 H new ATOM 1517 N CYS A 100 0.188 8.918 1.932 1.00 0.00 N ATOM 1518 CA CYS A 100 0.339 7.491 1.707 1.00 0.00 C ATOM 1519 C CYS A 100 -0.492 6.683 2.699 1.00 0.00 C ATOM 1520 O CYS A 100 -0.007 6.270 3.755 1.00 0.00 O ATOM 1521 CB CYS A 100 1.812 7.089 1.781 1.00 0.00 C ATOM 1522 SG CYS A 100 2.728 7.417 0.260 1.00 0.00 S ATOM 0 H CYS A 100 0.878 9.324 2.564 1.00 0.00 H new ATOM 0 HA CYS A 100 -0.030 7.268 0.706 1.00 0.00 H new ATOM 0 HB2 CYS A 100 2.286 7.625 2.603 1.00 0.00 H new ATOM 0 HB3 CYS A 100 1.879 6.026 2.013 1.00 0.00 H new ATOM 0 HG CYS A 100 2.647 8.681 -0.031 1.00 0.00 H new ATOM 1528 N ILE A 101 -1.758 6.488 2.364 1.00 0.00 N ATOM 1529 CA ILE A 101 -2.661 5.721 3.203 1.00 0.00 C ATOM 1530 C ILE A 101 -2.809 4.302 2.665 1.00 0.00 C ATOM 1531 O ILE A 101 -3.521 4.074 1.682 1.00 0.00 O ATOM 1532 CB ILE A 101 -4.057 6.377 3.285 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -3.943 7.819 3.788 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -4.976 5.564 4.187 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -5.264 8.558 3.809 1.00 0.00 C ATOM 0 H ILE A 101 -2.184 6.853 1.512 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.229 5.695 4.203 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.489 6.397 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.524 7.812 4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.242 8.362 3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.955 6.041 4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.082 4.556 3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -4.550 5.512 5.189 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -5.108 9.572 4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -5.676 8.596 2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.961 8.038 4.466 1.00 0.00 H new ATOM 1547 N MET A 102 -2.119 3.360 3.293 1.00 0.00 N ATOM 1548 CA MET A 102 -2.185 1.964 2.887 1.00 0.00 C ATOM 1549 C MET A 102 -3.541 1.387 3.267 1.00 0.00 C ATOM 1550 O MET A 102 -3.823 1.147 4.442 1.00 0.00 O ATOM 1551 CB MET A 102 -1.065 1.144 3.537 1.00 0.00 C ATOM 1552 CG MET A 102 0.311 1.393 2.937 1.00 0.00 C ATOM 1553 SD MET A 102 1.131 2.846 3.626 1.00 0.00 S ATOM 1554 CE MET A 102 1.464 2.287 5.295 1.00 0.00 C ATOM 0 H MET A 102 -1.505 3.539 4.088 1.00 0.00 H new ATOM 0 HA MET A 102 -2.055 1.913 1.806 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.033 1.372 4.602 1.00 0.00 H new ATOM 0 HB3 MET A 102 -1.304 0.084 3.445 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.937 0.517 3.103 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.214 1.515 1.858 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.069 3.012 6.007 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.986 1.321 5.457 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.540 2.187 5.437 1.00 0.00 H new ATOM 1564 N CYS A 103 -4.383 1.187 2.271 1.00 0.00 N ATOM 1565 CA CYS A 103 -5.714 0.660 2.495 1.00 0.00 C ATOM 1566 C CYS A 103 -5.791 -0.813 2.124 1.00 0.00 C ATOM 1567 O CYS A 103 -5.965 -1.166 0.954 1.00 0.00 O ATOM 1568 CB CYS A 103 -6.734 1.459 1.684 1.00 0.00 C ATOM 1569 SG CYS A 103 -6.455 3.245 1.721 1.00 0.00 S ATOM 0 H CYS A 103 -4.166 1.383 1.294 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.943 0.754 3.556 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.709 1.118 0.649 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.733 1.248 2.065 1.00 0.00 H new ATOM 0 HG CYS A 103 -5.186 3.483 1.874 1.00 0.00 H new ATOM 1575 N VAL A 104 -5.616 -1.666 3.118 1.00 0.00 N ATOM 1576 CA VAL A 104 -5.702 -3.103 2.912 1.00 0.00 C ATOM 1577 C VAL A 104 -7.162 -3.514 2.997 1.00 0.00 C ATOM 1578 O VAL A 104 -7.747 -3.515 4.080 1.00 0.00 O ATOM 1579 CB VAL A 104 -4.887 -3.891 3.958 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -4.506 -5.259 3.414 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -3.651 -3.110 4.383 1.00 0.00 C ATOM 0 H VAL A 104 -5.413 -1.389 4.078 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.284 -3.334 1.932 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.510 -4.036 4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.931 -5.802 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.409 -5.819 3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.904 -5.138 2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.093 -3.686 5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.020 -2.926 3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.954 -2.158 4.819 1.00 0.00 H new ATOM 1591 N ASN A 105 -7.753 -3.833 1.858 1.00 0.00 N ATOM 1592 CA ASN A 105 -9.161 -4.197 1.820 1.00 0.00 C ATOM 1593 C ASN A 105 -9.358 -5.704 1.730 1.00 0.00 C ATOM 1594 O ASN A 105 -8.943 -6.349 0.763 1.00 0.00 O ATOM 1595 CB ASN A 105 -9.863 -3.499 0.657 1.00 0.00 C ATOM 1596 CG ASN A 105 -11.134 -2.798 1.094 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -11.803 -3.230 2.031 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -11.472 -1.704 0.427 1.00 0.00 N ATOM 0 H ASN A 105 -7.284 -3.848 0.952 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.608 -3.864 2.757 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.185 -2.773 0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -10.101 -4.232 -0.114 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -12.313 -1.189 0.685 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -10.891 -1.377 -0.345 1.00 0.00 H new ATOM 1605 N TYR A 106 -9.999 -6.246 2.753 1.00 0.00 N ATOM 1606 CA TYR A 106 -10.284 -7.667 2.842 1.00 0.00 C ATOM 1607 C TYR A 106 -11.742 -7.930 2.481 1.00 0.00 C ATOM 1608 O TYR A 106 -12.653 -7.377 3.101 1.00 0.00 O ATOM 1609 CB TYR A 106 -10.024 -8.182 4.263 1.00 0.00 C ATOM 1610 CG TYR A 106 -8.723 -7.719 4.890 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -7.541 -8.423 4.694 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -8.684 -6.586 5.695 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -6.358 -8.010 5.278 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -7.506 -6.168 6.283 1.00 0.00 C ATOM 1615 CZ TYR A 106 -6.347 -6.883 6.072 1.00 0.00 C ATOM 1616 OH TYR A 106 -5.172 -6.469 6.657 1.00 0.00 O ATOM 0 H TYR A 106 -10.338 -5.707 3.550 1.00 0.00 H new ATOM 0 HA TYR A 106 -9.629 -8.189 2.145 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.849 -7.868 4.903 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -10.032 -9.272 4.244 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.547 -9.308 4.075 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.590 -6.023 5.863 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -5.448 -8.567 5.113 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -7.493 -5.285 6.905 1.00 0.00 H new ATOM 0 HH TYR A 106 -5.314 -6.336 7.618 1.00 0.00 H new ATOM 1626 N VAL A 107 -11.965 -8.764 1.479 1.00 0.00 N ATOM 1627 CA VAL A 107 -13.319 -9.096 1.055 1.00 0.00 C ATOM 1628 C VAL A 107 -13.741 -10.435 1.650 1.00 0.00 C ATOM 1629 O VAL A 107 -13.370 -11.494 1.147 1.00 0.00 O ATOM 1630 CB VAL A 107 -13.435 -9.155 -0.483 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -14.886 -9.313 -0.912 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -12.823 -7.914 -1.115 1.00 0.00 C ATOM 0 H VAL A 107 -11.229 -9.224 0.943 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.980 -8.308 1.416 1.00 0.00 H new ATOM 0 HB VAL A 107 -12.881 -10.027 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -14.942 -9.352 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -15.290 -10.235 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -15.467 -8.465 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.915 -7.975 -2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -13.346 -7.027 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.769 -7.849 -0.843 1.00 0.00 H new ATOM 1642 N LEU A 108 -14.493 -10.387 2.738 1.00 0.00 N ATOM 1643 CA LEU A 108 -14.946 -11.604 3.398 1.00 0.00 C ATOM 1644 C LEU A 108 -16.322 -12.021 2.898 1.00 0.00 C ATOM 1645 O LEU A 108 -16.529 -13.173 2.507 1.00 0.00 O ATOM 1646 CB LEU A 108 -14.976 -11.414 4.914 1.00 0.00 C ATOM 1647 CG LEU A 108 -13.609 -11.279 5.584 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -13.198 -9.816 5.676 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -13.635 -11.916 6.963 1.00 0.00 C ATOM 0 H LEU A 108 -14.802 -9.523 3.183 1.00 0.00 H new ATOM 0 HA LEU A 108 -14.238 -12.396 3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -15.562 -10.523 5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.498 -12.261 5.359 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.871 -11.801 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.222 -9.742 6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.143 -9.390 4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.934 -9.268 6.264 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.655 -11.813 7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.384 -11.419 7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -13.884 -12.973 6.871 1.00 0.00 H new ATOM 1661 N SER A 109 -17.261 -11.087 2.902 1.00 0.00 N ATOM 1662 CA SER A 109 -18.609 -11.378 2.447 1.00 0.00 C ATOM 1663 C SER A 109 -18.669 -11.442 0.926 1.00 0.00 C ATOM 1664 O SER A 109 -17.663 -11.250 0.242 1.00 0.00 O ATOM 1665 CB SER A 109 -19.594 -10.339 2.978 1.00 0.00 C ATOM 1666 OG SER A 109 -19.886 -10.575 4.346 1.00 0.00 O ATOM 0 H SER A 109 -17.114 -10.127 3.214 1.00 0.00 H new ATOM 0 HA SER A 109 -18.893 -12.354 2.840 1.00 0.00 H new ATOM 0 HB2 SER A 109 -19.175 -9.340 2.858 1.00 0.00 H new ATOM 0 HB3 SER A 109 -20.514 -10.372 2.394 1.00 0.00 H new ATOM 0 HG SER A 109 -19.289 -10.036 4.906 1.00 0.00 H new ATOM 1672 N GLU A 110 -19.852 -11.714 0.407 1.00 0.00 N ATOM 1673 CA GLU A 110 -20.060 -11.828 -1.024 1.00 0.00 C ATOM 1674 C GLU A 110 -20.507 -10.498 -1.616 1.00 0.00 C ATOM 1675 O GLU A 110 -20.545 -9.474 -0.929 1.00 0.00 O ATOM 1676 CB GLU A 110 -21.108 -12.909 -1.315 1.00 0.00 C ATOM 1677 CG GLU A 110 -22.483 -12.617 -0.723 1.00 0.00 C ATOM 1678 CD GLU A 110 -22.557 -12.888 0.767 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -22.846 -14.037 1.151 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -22.315 -11.957 1.561 1.00 0.00 O ATOM 0 H GLU A 110 -20.694 -11.862 0.964 1.00 0.00 H new ATOM 0 HA GLU A 110 -19.114 -12.108 -1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -21.206 -13.024 -2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -20.750 -13.862 -0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -22.739 -11.574 -0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -23.229 -13.225 -1.235 1.00 0.00 H new ATOM 1687 N ILE A 111 -20.840 -10.525 -2.895 1.00 0.00 N ATOM 1688 CA ILE A 111 -21.299 -9.342 -3.592 1.00 0.00 C ATOM 1689 C ILE A 111 -22.810 -9.402 -3.748 1.00 0.00 C ATOM 1690 O ILE A 111 -23.343 -10.349 -4.333 1.00 0.00 O ATOM 1691 CB ILE A 111 -20.648 -9.216 -4.985 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -19.149 -9.524 -4.903 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -20.879 -7.820 -5.550 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -18.474 -9.641 -6.251 1.00 0.00 C ATOM 0 H ILE A 111 -20.799 -11.364 -3.474 1.00 0.00 H new ATOM 0 HA ILE A 111 -21.012 -8.471 -3.003 1.00 0.00 H new ATOM 0 HB ILE A 111 -21.111 -9.941 -5.655 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -18.657 -8.739 -4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -19.009 -10.456 -4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -20.415 -7.744 -6.533 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -21.950 -7.636 -5.639 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -20.438 -7.080 -4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -17.416 -9.860 -6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -18.938 -10.445 -6.822 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -18.581 -8.702 -6.794 1.00 0.00 H new ATOM 1706 N GLU A 112 -23.496 -8.416 -3.202 1.00 0.00 N ATOM 1707 CA GLU A 112 -24.942 -8.363 -3.283 1.00 0.00 C ATOM 1708 C GLU A 112 -25.358 -7.585 -4.520 1.00 0.00 C ATOM 1709 O GLU A 112 -25.325 -6.341 -4.476 1.00 0.00 O ATOM 1710 CB GLU A 112 -25.529 -7.711 -2.028 1.00 0.00 C ATOM 1711 CG GLU A 112 -24.917 -8.220 -0.729 1.00 0.00 C ATOM 1712 CD GLU A 112 -25.591 -7.649 0.502 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -26.369 -6.680 0.372 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -25.351 -8.173 1.612 1.00 0.00 O ATOM 1715 OXT GLU A 112 -25.700 -8.221 -5.538 1.00 0.00 O ATOM 0 H GLU A 112 -23.073 -7.638 -2.696 1.00 0.00 H new ATOM 0 HA GLU A 112 -25.327 -9.381 -3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -25.385 -6.632 -2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -26.604 -7.888 -2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -24.984 -9.308 -0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -23.857 -7.966 -0.708 1.00 0.00 H new TER 1722 GLU A 112 ATOM 1723 N CYS B 7 3.761 16.658 -9.635 1.00 1.33 N ATOM 1724 CA CYS B 7 5.031 16.083 -9.137 1.00 1.38 C ATOM 1725 C CYS B 7 4.788 15.244 -7.885 1.00 1.15 C ATOM 1726 O CYS B 7 4.450 15.776 -6.824 1.00 1.28 O ATOM 1727 CB CYS B 7 6.039 17.196 -8.838 1.00 1.79 C ATOM 1728 SG CYS B 7 6.729 17.988 -10.312 1.00 2.58 S ATOM 0 HA CYS B 7 5.441 15.436 -9.913 1.00 1.38 H new ATOM 0 HB2 CYS B 7 5.554 17.955 -8.225 1.00 1.79 H new ATOM 0 HB3 CYS B 7 6.855 16.782 -8.246 1.00 1.79 H new ATOM 0 HG CYS B 7 7.567 18.915 -9.954 1.00 2.58 H new ATOM 1736 N GLN B 8 4.966 13.935 -8.015 1.00 0.90 N ATOM 1737 CA GLN B 8 4.765 13.019 -6.902 1.00 0.76 C ATOM 1738 C GLN B 8 5.975 13.033 -5.974 1.00 0.65 C ATOM 1739 O GLN B 8 7.116 13.145 -6.429 1.00 0.64 O ATOM 1740 CB GLN B 8 4.517 11.599 -7.414 1.00 0.71 C ATOM 1741 CG GLN B 8 3.267 11.462 -8.272 1.00 0.89 C ATOM 1742 CD GLN B 8 1.989 11.747 -7.505 1.00 1.17 C ATOM 1743 OE1 GLN B 8 1.436 10.864 -6.847 1.00 1.79 O ATOM 1744 NE2 GLN B 8 1.500 12.974 -7.599 1.00 1.90 N ATOM 0 H GLN B 8 5.250 13.484 -8.884 1.00 0.90 H new ATOM 0 HA GLN B 8 3.889 13.349 -6.343 1.00 0.76 H new ATOM 0 HB2 GLN B 8 5.381 11.277 -7.995 1.00 0.71 H new ATOM 0 HB3 GLN B 8 4.436 10.925 -6.561 1.00 0.71 H new ATOM 0 HG2 GLN B 8 3.337 12.146 -9.118 1.00 0.89 H new ATOM 0 HG3 GLN B 8 3.222 10.452 -8.681 1.00 0.89 H new ATOM 0 HE21 GLN B 8 1.989 13.677 -8.154 1.00 1.90 H new ATOM 0 HE22 GLN B 8 0.635 13.217 -7.116 1.00 1.90 H new ATOM 1753 N PRO B 9 5.739 12.939 -4.658 1.00 0.64 N ATOM 1754 CA PRO B 9 6.806 12.941 -3.655 1.00 0.56 C ATOM 1755 C PRO B 9 7.601 11.636 -3.646 1.00 0.44 C ATOM 1756 O PRO B 9 7.224 10.661 -4.301 1.00 0.38 O ATOM 1757 CB PRO B 9 6.062 13.121 -2.323 1.00 0.61 C ATOM 1758 CG PRO B 9 4.646 13.434 -2.682 1.00 0.75 C ATOM 1759 CD PRO B 9 4.416 12.831 -4.034 1.00 0.77 C ATOM 0 HA PRO B 9 7.539 13.723 -3.854 1.00 0.56 H new ATOM 0 HB2 PRO B 9 6.120 12.216 -1.718 1.00 0.61 H new ATOM 0 HB3 PRO B 9 6.503 13.926 -1.735 1.00 0.61 H new ATOM 0 HG2 PRO B 9 3.957 13.018 -1.947 1.00 0.75 H new ATOM 0 HG3 PRO B 9 4.478 14.511 -2.702 1.00 0.75 H new ATOM 0 HD2 PRO B 9 4.083 11.795 -3.965 1.00 0.77 H new ATOM 0 HD3 PRO B 9 3.656 13.374 -4.597 1.00 0.77 H new ATOM 1767 N THR B 10 8.690 11.619 -2.886 1.00 0.43 N ATOM 1768 CA THR B 10 9.550 10.448 -2.787 1.00 0.37 C ATOM 1769 C THR B 10 8.987 9.430 -1.794 1.00 0.31 C ATOM 1770 O THR B 10 9.657 9.029 -0.838 1.00 0.39 O ATOM 1771 CB THR B 10 10.966 10.862 -2.354 1.00 0.46 C ATOM 1772 OG1 THR B 10 10.902 12.101 -1.636 1.00 0.88 O ATOM 1773 CG2 THR B 10 11.883 11.015 -3.559 1.00 0.62 C ATOM 0 H THR B 10 9.000 12.412 -2.324 1.00 0.43 H new ATOM 0 HA THR B 10 9.593 9.983 -3.772 1.00 0.37 H new ATOM 0 HB THR B 10 11.373 10.081 -1.712 1.00 0.46 H new ATOM 0 HG1 THR B 10 10.273 12.014 -0.889 1.00 0.88 H new ATOM 0 HG21 THR B 10 12.878 11.308 -3.224 1.00 0.62 H new ATOM 0 HG22 THR B 10 11.945 10.066 -4.092 1.00 0.62 H new ATOM 0 HG23 THR B 10 11.484 11.780 -4.225 1.00 0.62 H new ATOM 1781 N GLU B 11 7.749 9.026 -2.030 1.00 0.30 N ATOM 1782 CA GLU B 11 7.066 8.065 -1.180 1.00 0.31 C ATOM 1783 C GLU B 11 6.255 7.101 -2.035 1.00 0.27 C ATOM 1784 O GLU B 11 5.160 7.436 -2.494 1.00 0.31 O ATOM 1785 CB GLU B 11 6.147 8.786 -0.187 1.00 0.45 C ATOM 1786 CG GLU B 11 5.581 10.095 -0.717 1.00 1.13 C ATOM 1787 CD GLU B 11 4.378 10.580 0.062 1.00 1.36 C ATOM 1788 OE1 GLU B 11 4.564 11.301 1.067 1.00 1.83 O ATOM 1789 OE2 GLU B 11 3.240 10.255 -0.341 1.00 1.65 O ATOM 0 H GLU B 11 7.189 9.355 -2.817 1.00 0.30 H new ATOM 0 HA GLU B 11 7.812 7.503 -0.618 1.00 0.31 H new ATOM 0 HB2 GLU B 11 5.322 8.124 0.077 1.00 0.45 H new ATOM 0 HB3 GLU B 11 6.702 8.985 0.730 1.00 0.45 H new ATOM 0 HG2 GLU B 11 6.358 10.859 -0.687 1.00 1.13 H new ATOM 0 HG3 GLU B 11 5.301 9.966 -1.763 1.00 1.13 H new ATOM 1796 N PHE B 12 6.791 5.913 -2.266 1.00 0.30 N ATOM 1797 CA PHE B 12 6.095 4.930 -3.080 1.00 0.30 C ATOM 1798 C PHE B 12 5.815 3.654 -2.297 1.00 0.27 C ATOM 1799 O PHE B 12 6.685 3.115 -1.614 1.00 0.33 O ATOM 1800 CB PHE B 12 6.857 4.630 -4.384 1.00 0.35 C ATOM 1801 CG PHE B 12 8.209 3.987 -4.227 1.00 0.34 C ATOM 1802 CD1 PHE B 12 9.329 4.748 -3.944 1.00 0.39 C ATOM 1803 CD2 PHE B 12 8.360 2.621 -4.397 1.00 0.42 C ATOM 1804 CE1 PHE B 12 10.573 4.159 -3.826 1.00 0.42 C ATOM 1805 CE2 PHE B 12 9.600 2.025 -4.284 1.00 0.45 C ATOM 1806 CZ PHE B 12 10.709 2.795 -3.997 1.00 0.40 C ATOM 0 H PHE B 12 7.695 5.608 -1.906 1.00 0.30 H new ATOM 0 HA PHE B 12 5.134 5.364 -3.356 1.00 0.30 H new ATOM 0 HB2 PHE B 12 6.237 3.980 -5.002 1.00 0.35 H new ATOM 0 HB3 PHE B 12 6.983 5.564 -4.931 1.00 0.35 H new ATOM 0 HD1 PHE B 12 9.230 5.816 -3.814 1.00 0.39 H new ATOM 0 HD2 PHE B 12 7.496 2.014 -4.621 1.00 0.42 H new ATOM 0 HE1 PHE B 12 11.438 4.764 -3.600 1.00 0.42 H new ATOM 0 HE2 PHE B 12 9.702 0.958 -4.420 1.00 0.45 H new ATOM 0 HZ PHE B 12 11.681 2.332 -3.906 1.00 0.40 H new ATOM 1816 N ILE B 13 4.586 3.180 -2.413 1.00 0.27 N ATOM 1817 CA ILE B 13 4.154 1.980 -1.720 1.00 0.27 C ATOM 1818 C ILE B 13 4.082 0.815 -2.694 1.00 0.29 C ATOM 1819 O ILE B 13 3.106 0.666 -3.431 1.00 0.35 O ATOM 1820 CB ILE B 13 2.770 2.171 -1.064 1.00 0.36 C ATOM 1821 CG1 ILE B 13 2.715 3.488 -0.284 1.00 0.98 C ATOM 1822 CG2 ILE B 13 2.454 0.996 -0.150 1.00 0.85 C ATOM 1823 CD1 ILE B 13 1.331 3.837 0.221 1.00 1.40 C ATOM 0 H ILE B 13 3.863 3.614 -2.987 1.00 0.27 H new ATOM 0 HA ILE B 13 4.884 1.772 -0.938 1.00 0.27 H new ATOM 0 HB ILE B 13 2.018 2.212 -1.852 1.00 0.36 H new ATOM 0 HG12 ILE B 13 3.397 3.427 0.564 1.00 0.98 H new ATOM 0 HG13 ILE B 13 3.073 4.295 -0.924 1.00 0.98 H new ATOM 0 HG21 ILE B 13 1.475 1.143 0.306 1.00 0.85 H new ATOM 0 HG22 ILE B 13 2.448 0.074 -0.731 1.00 0.85 H new ATOM 0 HG23 ILE B 13 3.212 0.928 0.631 1.00 0.85 H new ATOM 0 HD11 ILE B 13 1.369 4.782 0.764 1.00 1.40 H new ATOM 0 HD12 ILE B 13 0.648 3.931 -0.624 1.00 1.40 H new ATOM 0 HD13 ILE B 13 0.978 3.050 0.887 1.00 1.40 H new ATOM 1835 N SER B 14 5.117 0.000 -2.708 1.00 0.34 N ATOM 1836 CA SER B 14 5.159 -1.138 -3.603 1.00 0.42 C ATOM 1837 C SER B 14 4.856 -2.419 -2.844 1.00 0.35 C ATOM 1838 O SER B 14 4.833 -2.436 -1.614 1.00 0.40 O ATOM 1839 CB SER B 14 6.525 -1.219 -4.281 1.00 0.54 C ATOM 1840 OG SER B 14 6.819 -0.003 -4.945 1.00 1.47 O ATOM 0 H SER B 14 5.938 0.104 -2.112 1.00 0.34 H new ATOM 0 HA SER B 14 4.398 -1.012 -4.373 1.00 0.42 H new ATOM 0 HB2 SER B 14 7.295 -1.431 -3.539 1.00 0.54 H new ATOM 0 HB3 SER B 14 6.536 -2.043 -4.995 1.00 0.54 H new ATOM 0 HG SER B 14 7.663 0.360 -4.604 1.00 1.47 H new ATOM 1846 N ARG B 15 4.610 -3.485 -3.580 1.00 0.31 N ATOM 1847 CA ARG B 15 4.305 -4.766 -2.981 1.00 0.31 C ATOM 1848 C ARG B 15 5.248 -5.829 -3.522 1.00 0.27 C ATOM 1849 O ARG B 15 5.265 -6.110 -4.722 1.00 0.29 O ATOM 1850 CB ARG B 15 2.847 -5.137 -3.251 1.00 0.42 C ATOM 1851 CG ARG B 15 1.861 -4.188 -2.587 1.00 0.54 C ATOM 1852 CD ARG B 15 0.427 -4.511 -2.958 1.00 0.90 C ATOM 1853 NE ARG B 15 0.041 -3.931 -4.240 1.00 1.40 N ATOM 1854 CZ ARG B 15 -0.915 -4.427 -5.022 1.00 1.85 C ATOM 1855 NH1 ARG B 15 -1.553 -5.537 -4.682 1.00 2.03 N ATOM 1856 NH2 ARG B 15 -1.229 -3.821 -6.156 1.00 2.69 N ATOM 0 H ARG B 15 4.616 -3.487 -4.600 1.00 0.31 H new ATOM 0 HA ARG B 15 4.445 -4.702 -1.902 1.00 0.31 H new ATOM 0 HB2 ARG B 15 2.672 -5.140 -4.327 1.00 0.42 H new ATOM 0 HB3 ARG B 15 2.664 -6.151 -2.895 1.00 0.42 H new ATOM 0 HG2 ARG B 15 1.977 -4.243 -1.505 1.00 0.54 H new ATOM 0 HG3 ARG B 15 2.090 -3.163 -2.880 1.00 0.54 H new ATOM 0 HD2 ARG B 15 0.300 -5.593 -2.998 1.00 0.90 H new ATOM 0 HD3 ARG B 15 -0.239 -4.141 -2.179 1.00 0.90 H new ATOM 0 HE ARG B 15 0.533 -3.095 -4.556 1.00 1.40 H new ATOM 0 HH11 ARG B 15 -1.313 -6.018 -3.815 1.00 2.03 H new ATOM 0 HH12 ARG B 15 -2.284 -5.910 -5.287 1.00 2.03 H new ATOM 0 HH21 ARG B 15 -0.738 -2.971 -6.433 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -1.962 -4.204 -6.753 1.00 2.69 H new ATOM 1870 N HIS B 16 6.049 -6.395 -2.636 1.00 0.28 N ATOM 1871 CA HIS B 16 7.009 -7.420 -3.016 1.00 0.28 C ATOM 1872 C HIS B 16 6.750 -8.691 -2.227 1.00 0.32 C ATOM 1873 O HIS B 16 6.196 -8.637 -1.133 1.00 0.40 O ATOM 1874 CB HIS B 16 8.449 -6.938 -2.774 1.00 0.32 C ATOM 1875 CG HIS B 16 8.795 -6.695 -1.331 1.00 0.36 C ATOM 1876 ND1 HIS B 16 9.089 -7.705 -0.436 1.00 0.54 N ATOM 1877 CD2 HIS B 16 8.900 -5.543 -0.633 1.00 0.75 C ATOM 1878 CE1 HIS B 16 9.359 -7.182 0.744 1.00 0.46 C ATOM 1879 NE2 HIS B 16 9.252 -5.871 0.652 1.00 0.61 N ATOM 0 H HIS B 16 6.054 -6.161 -1.643 1.00 0.28 H new ATOM 0 HA HIS B 16 6.889 -7.625 -4.080 1.00 0.28 H new ATOM 0 HB2 HIS B 16 9.139 -7.678 -3.179 1.00 0.32 H new ATOM 0 HB3 HIS B 16 8.608 -6.015 -3.332 1.00 0.32 H new ATOM 0 HD1 HIS B 16 9.096 -8.701 -0.654 1.00 0.54 H new ATOM 0 HD2 HIS B 16 8.737 -4.547 -1.016 1.00 0.75 H new ATOM 0 HE1 HIS B 16 9.623 -7.734 1.634 1.00 0.46 H new ATOM 1888 N ASN B 17 7.155 -9.826 -2.769 1.00 0.31 N ATOM 1889 CA ASN B 17 6.964 -11.096 -2.085 1.00 0.39 C ATOM 1890 C ASN B 17 7.887 -11.178 -0.866 1.00 0.35 C ATOM 1891 O ASN B 17 8.771 -10.332 -0.694 1.00 0.32 O ATOM 1892 CB ASN B 17 7.184 -12.271 -3.049 1.00 0.49 C ATOM 1893 CG ASN B 17 8.607 -12.798 -3.070 1.00 0.95 C ATOM 1894 OD1 ASN B 17 9.574 -12.041 -3.071 1.00 2.04 O ATOM 1895 ND2 ASN B 17 8.738 -14.112 -3.074 1.00 0.59 N ATOM 0 H ASN B 17 7.616 -9.896 -3.676 1.00 0.31 H new ATOM 0 HA ASN B 17 5.935 -11.159 -1.731 1.00 0.39 H new ATOM 0 HB2 ASN B 17 6.511 -13.083 -2.774 1.00 0.49 H new ATOM 0 HB3 ASN B 17 6.909 -11.957 -4.056 1.00 0.49 H new ATOM 0 HD21 ASN B 17 9.668 -14.532 -3.078 1.00 0.59 H new ATOM 0 HD22 ASN B 17 7.910 -14.707 -3.073 1.00 0.59 H new ATOM 1902 N ILE B 18 7.687 -12.189 -0.027 1.00 0.40 N ATOM 1903 CA ILE B 18 8.482 -12.355 1.193 1.00 0.45 C ATOM 1904 C ILE B 18 9.986 -12.453 0.923 1.00 0.44 C ATOM 1905 O ILE B 18 10.793 -12.045 1.757 1.00 0.52 O ATOM 1906 CB ILE B 18 8.039 -13.596 1.998 1.00 0.53 C ATOM 1907 CG1 ILE B 18 8.108 -14.856 1.129 1.00 0.59 C ATOM 1908 CG2 ILE B 18 6.633 -13.396 2.547 1.00 0.57 C ATOM 1909 CD1 ILE B 18 7.978 -16.138 1.918 1.00 0.70 C ATOM 0 H ILE B 18 6.979 -12.910 -0.167 1.00 0.40 H new ATOM 0 HA ILE B 18 8.299 -11.452 1.776 1.00 0.45 H new ATOM 0 HB ILE B 18 8.721 -13.726 2.838 1.00 0.53 H new ATOM 0 HG12 ILE B 18 7.316 -14.816 0.381 1.00 0.59 H new ATOM 0 HG13 ILE B 18 9.055 -14.865 0.590 1.00 0.59 H new ATOM 0 HG21 ILE B 18 6.334 -14.279 3.112 1.00 0.57 H new ATOM 0 HG22 ILE B 18 6.618 -12.524 3.201 1.00 0.57 H new ATOM 0 HG23 ILE B 18 5.939 -13.242 1.721 1.00 0.57 H new ATOM 0 HD11 ILE B 18 8.035 -16.990 1.240 1.00 0.70 H new ATOM 0 HD12 ILE B 18 8.785 -16.200 2.648 1.00 0.70 H new ATOM 0 HD13 ILE B 18 7.019 -16.151 2.436 1.00 0.70 H new ATOM 1921 N GLU B 19 10.362 -12.974 -0.237 1.00 0.41 N ATOM 1922 CA GLU B 19 11.773 -13.129 -0.583 1.00 0.45 C ATOM 1923 C GLU B 19 12.420 -11.793 -0.946 1.00 0.41 C ATOM 1924 O GLU B 19 13.623 -11.607 -0.764 1.00 0.51 O ATOM 1925 CB GLU B 19 11.928 -14.123 -1.731 1.00 0.50 C ATOM 1926 CG GLU B 19 11.503 -15.531 -1.360 1.00 0.65 C ATOM 1927 CD GLU B 19 11.470 -16.452 -2.556 1.00 1.21 C ATOM 1928 OE1 GLU B 19 10.521 -16.350 -3.361 1.00 1.92 O ATOM 1929 OE2 GLU B 19 12.392 -17.280 -2.703 1.00 1.28 O ATOM 0 H GLU B 19 9.713 -13.297 -0.955 1.00 0.41 H new ATOM 0 HA GLU B 19 12.288 -13.514 0.297 1.00 0.45 H new ATOM 0 HB2 GLU B 19 11.336 -13.783 -2.581 1.00 0.50 H new ATOM 0 HB3 GLU B 19 12.969 -14.137 -2.053 1.00 0.50 H new ATOM 0 HG2 GLU B 19 12.190 -15.931 -0.615 1.00 0.65 H new ATOM 0 HG3 GLU B 19 10.515 -15.501 -0.900 1.00 0.65 H new ATOM 1936 N GLY B 20 11.628 -10.866 -1.463 1.00 0.33 N ATOM 1937 CA GLY B 20 12.157 -9.569 -1.826 1.00 0.32 C ATOM 1938 C GLY B 20 11.860 -9.200 -3.264 1.00 0.29 C ATOM 1939 O GLY B 20 12.083 -8.061 -3.671 1.00 0.34 O ATOM 0 H GLY B 20 10.630 -10.989 -1.637 1.00 0.33 H new ATOM 0 HA2 GLY B 20 11.735 -8.811 -1.166 1.00 0.32 H new ATOM 0 HA3 GLY B 20 13.236 -9.564 -1.669 1.00 0.32 H new ATOM 1943 N ILE B 21 11.356 -10.161 -4.027 1.00 0.27 N ATOM 1944 CA ILE B 21 11.020 -9.940 -5.427 1.00 0.28 C ATOM 1945 C ILE B 21 9.785 -9.055 -5.535 1.00 0.27 C ATOM 1946 O ILE B 21 8.729 -9.385 -4.992 1.00 0.31 O ATOM 1947 CB ILE B 21 10.747 -11.274 -6.159 1.00 0.32 C ATOM 1948 CG1 ILE B 21 11.967 -12.198 -6.077 1.00 0.37 C ATOM 1949 CG2 ILE B 21 10.361 -11.024 -7.613 1.00 0.41 C ATOM 1950 CD1 ILE B 21 13.170 -11.695 -6.846 1.00 0.47 C ATOM 0 H ILE B 21 11.170 -11.108 -3.696 1.00 0.27 H new ATOM 0 HA ILE B 21 11.873 -9.451 -5.897 1.00 0.28 H new ATOM 0 HB ILE B 21 9.911 -11.767 -5.663 1.00 0.32 H new ATOM 0 HG12 ILE B 21 12.244 -12.326 -5.031 1.00 0.37 H new ATOM 0 HG13 ILE B 21 11.691 -13.182 -6.456 1.00 0.37 H new ATOM 0 HG21 ILE B 21 10.174 -11.977 -8.109 1.00 0.41 H new ATOM 0 HG22 ILE B 21 9.460 -10.412 -7.650 1.00 0.41 H new ATOM 0 HG23 ILE B 21 11.173 -10.504 -8.121 1.00 0.41 H new ATOM 0 HD11 ILE B 21 13.992 -12.403 -6.739 1.00 0.47 H new ATOM 0 HD12 ILE B 21 12.912 -11.595 -7.900 1.00 0.47 H new ATOM 0 HD13 ILE B 21 13.474 -10.725 -6.453 1.00 0.47 H new ATOM 1962 N PHE B 22 9.921 -7.927 -6.215 1.00 0.25 N ATOM 1963 CA PHE B 22 8.807 -7.006 -6.378 1.00 0.27 C ATOM 1964 C PHE B 22 7.764 -7.571 -7.332 1.00 0.28 C ATOM 1965 O PHE B 22 8.056 -7.849 -8.497 1.00 0.35 O ATOM 1966 CB PHE B 22 9.298 -5.647 -6.876 1.00 0.31 C ATOM 1967 CG PHE B 22 10.003 -4.849 -5.820 1.00 0.33 C ATOM 1968 CD1 PHE B 22 11.337 -5.082 -5.533 1.00 0.38 C ATOM 1969 CD2 PHE B 22 9.330 -3.865 -5.113 1.00 0.36 C ATOM 1970 CE1 PHE B 22 11.986 -4.352 -4.559 1.00 0.45 C ATOM 1971 CE2 PHE B 22 9.976 -3.130 -4.137 1.00 0.44 C ATOM 1972 CZ PHE B 22 11.306 -3.373 -3.862 1.00 0.46 C ATOM 0 H PHE B 22 10.788 -7.628 -6.661 1.00 0.25 H new ATOM 0 HA PHE B 22 8.340 -6.872 -5.402 1.00 0.27 H new ATOM 0 HB2 PHE B 22 9.973 -5.798 -7.719 1.00 0.31 H new ATOM 0 HB3 PHE B 22 8.448 -5.075 -7.247 1.00 0.31 H new ATOM 0 HD1 PHE B 22 11.875 -5.844 -6.078 1.00 0.38 H new ATOM 0 HD2 PHE B 22 8.289 -3.670 -5.327 1.00 0.36 H new ATOM 0 HE1 PHE B 22 13.026 -4.546 -4.342 1.00 0.45 H new ATOM 0 HE2 PHE B 22 9.441 -2.367 -3.591 1.00 0.44 H new ATOM 0 HZ PHE B 22 11.815 -2.798 -3.102 1.00 0.46 H new ATOM 1982 N THR B 23 6.557 -7.757 -6.819 1.00 0.27 N ATOM 1983 CA THR B 23 5.454 -8.280 -7.604 1.00 0.30 C ATOM 1984 C THR B 23 4.705 -7.136 -8.281 1.00 0.27 C ATOM 1985 O THR B 23 4.399 -7.191 -9.473 1.00 0.33 O ATOM 1986 CB THR B 23 4.483 -9.069 -6.708 1.00 0.42 C ATOM 1987 OG1 THR B 23 5.207 -9.661 -5.617 1.00 1.35 O ATOM 1988 CG2 THR B 23 3.768 -10.154 -7.499 1.00 1.14 C ATOM 0 H THR B 23 6.317 -7.550 -5.850 1.00 0.27 H new ATOM 0 HA THR B 23 5.859 -8.948 -8.364 1.00 0.30 H new ATOM 0 HB THR B 23 3.734 -8.378 -6.321 1.00 0.42 H new ATOM 0 HG1 THR B 23 4.587 -10.162 -5.046 1.00 1.35 H new ATOM 0 HG21 THR B 23 3.088 -10.696 -6.841 1.00 1.14 H new ATOM 0 HG22 THR B 23 3.201 -9.699 -8.311 1.00 1.14 H new ATOM 0 HG23 THR B 23 4.502 -10.846 -7.912 1.00 1.14 H new ATOM 1996 N PHE B 24 4.428 -6.094 -7.508 1.00 0.25 N ATOM 1997 CA PHE B 24 3.727 -4.925 -8.011 1.00 0.28 C ATOM 1998 C PHE B 24 4.404 -3.669 -7.483 1.00 0.26 C ATOM 1999 O PHE B 24 4.333 -3.364 -6.290 1.00 0.27 O ATOM 2000 CB PHE B 24 2.255 -4.960 -7.585 1.00 0.36 C ATOM 2001 CG PHE B 24 1.353 -4.103 -8.432 1.00 0.46 C ATOM 2002 CD1 PHE B 24 1.344 -2.725 -8.285 1.00 0.51 C ATOM 2003 CD2 PHE B 24 0.508 -4.677 -9.370 1.00 0.59 C ATOM 2004 CE1 PHE B 24 0.512 -1.935 -9.055 1.00 0.61 C ATOM 2005 CE2 PHE B 24 -0.327 -3.891 -10.142 1.00 0.71 C ATOM 2006 CZ PHE B 24 -0.325 -2.518 -9.984 1.00 0.70 C ATOM 0 H PHE B 24 4.682 -6.037 -6.522 1.00 0.25 H new ATOM 0 HA PHE B 24 3.764 -4.923 -9.100 1.00 0.28 H new ATOM 0 HB2 PHE B 24 1.901 -5.990 -7.622 1.00 0.36 H new ATOM 0 HB3 PHE B 24 2.180 -4.634 -6.547 1.00 0.36 H new ATOM 0 HD1 PHE B 24 1.996 -2.262 -7.559 1.00 0.51 H new ATOM 0 HD2 PHE B 24 0.502 -5.749 -9.499 1.00 0.59 H new ATOM 0 HE1 PHE B 24 0.517 -0.862 -8.930 1.00 0.61 H new ATOM 0 HE2 PHE B 24 -0.981 -4.350 -10.869 1.00 0.71 H new ATOM 0 HZ PHE B 24 -0.977 -1.903 -10.586 1.00 0.70 H new ATOM 2016 N VAL B 25 5.078 -2.954 -8.366 1.00 0.26 N ATOM 2017 CA VAL B 25 5.780 -1.739 -7.982 1.00 0.27 C ATOM 2018 C VAL B 25 4.859 -0.529 -8.088 1.00 0.26 C ATOM 2019 O VAL B 25 3.995 -0.472 -8.965 1.00 0.25 O ATOM 2020 CB VAL B 25 7.033 -1.509 -8.857 1.00 0.34 C ATOM 2021 CG1 VAL B 25 8.031 -0.604 -8.147 1.00 0.74 C ATOM 2022 CG2 VAL B 25 7.683 -2.835 -9.228 1.00 0.78 C ATOM 0 H VAL B 25 5.155 -3.193 -9.355 1.00 0.26 H new ATOM 0 HA VAL B 25 6.098 -1.863 -6.947 1.00 0.27 H new ATOM 0 HB VAL B 25 6.717 -1.014 -9.775 1.00 0.34 H new ATOM 0 HG11 VAL B 25 8.904 -0.457 -8.782 1.00 0.74 H new ATOM 0 HG12 VAL B 25 7.566 0.360 -7.941 1.00 0.74 H new ATOM 0 HG13 VAL B 25 8.338 -1.067 -7.209 1.00 0.74 H new ATOM 0 HG21 VAL B 25 8.563 -2.649 -9.844 1.00 0.78 H new ATOM 0 HG22 VAL B 25 7.980 -3.361 -8.321 1.00 0.78 H new ATOM 0 HG23 VAL B 25 6.972 -3.445 -9.785 1.00 0.78 H new ATOM 2032 N ASP B 26 5.039 0.424 -7.179 1.00 0.27 N ATOM 2033 CA ASP B 26 4.234 1.641 -7.170 1.00 0.29 C ATOM 2034 C ASP B 26 4.612 2.519 -8.356 1.00 0.24 C ATOM 2035 O ASP B 26 5.674 2.348 -8.954 1.00 0.22 O ATOM 2036 CB ASP B 26 4.430 2.408 -5.855 1.00 0.39 C ATOM 2037 CG ASP B 26 3.411 3.521 -5.642 1.00 0.48 C ATOM 2038 OD1 ASP B 26 2.443 3.627 -6.424 1.00 0.78 O ATOM 2039 OD2 ASP B 26 3.577 4.301 -4.682 1.00 0.72 O ATOM 0 H ASP B 26 5.737 0.377 -6.437 1.00 0.27 H new ATOM 0 HA ASP B 26 3.182 1.367 -7.252 1.00 0.29 H new ATOM 0 HB2 ASP B 26 4.370 1.707 -5.022 1.00 0.39 H new ATOM 0 HB3 ASP B 26 5.432 2.836 -5.839 1.00 0.39 H new ATOM 2044 N HIS B 27 3.762 3.474 -8.674 1.00 0.26 N ATOM 2045 CA HIS B 27 3.991 4.359 -9.803 1.00 0.26 C ATOM 2046 C HIS B 27 4.817 5.574 -9.400 1.00 0.23 C ATOM 2047 O HIS B 27 4.868 6.566 -10.122 1.00 0.26 O ATOM 2048 CB HIS B 27 2.653 4.804 -10.397 1.00 0.34 C ATOM 2049 CG HIS B 27 1.885 3.680 -11.016 1.00 0.50 C ATOM 2050 ND1 HIS B 27 0.559 3.424 -10.738 1.00 0.70 N ATOM 2051 CD2 HIS B 27 2.271 2.734 -11.901 1.00 0.66 C ATOM 2052 CE1 HIS B 27 0.165 2.368 -11.424 1.00 0.86 C ATOM 2053 NE2 HIS B 27 1.186 1.934 -12.138 1.00 0.83 N ATOM 0 H HIS B 27 2.899 3.660 -8.163 1.00 0.26 H new ATOM 0 HA HIS B 27 4.555 3.807 -10.555 1.00 0.26 H new ATOM 0 HB2 HIS B 27 2.049 5.262 -9.614 1.00 0.34 H new ATOM 0 HB3 HIS B 27 2.833 5.571 -11.150 1.00 0.34 H new ATOM 0 HD2 HIS B 27 3.252 2.629 -12.339 1.00 0.66 H new ATOM 0 HE1 HIS B 27 -0.824 1.934 -11.404 1.00 0.86 H new ATOM 0 HE2 HIS B 27 1.169 1.131 -12.766 1.00 0.83 H new ATOM 2062 N ARG B 28 5.471 5.491 -8.252 1.00 0.24 N ATOM 2063 CA ARG B 28 6.294 6.592 -7.763 1.00 0.27 C ATOM 2064 C ARG B 28 7.744 6.149 -7.583 1.00 0.24 C ATOM 2065 O ARG B 28 8.538 6.831 -6.939 1.00 0.28 O ATOM 2066 CB ARG B 28 5.741 7.115 -6.440 1.00 0.35 C ATOM 2067 CG ARG B 28 4.350 7.710 -6.554 1.00 0.48 C ATOM 2068 CD ARG B 28 3.670 7.777 -5.200 1.00 0.56 C ATOM 2069 NE ARG B 28 2.733 8.892 -5.113 1.00 0.99 N ATOM 2070 CZ ARG B 28 2.502 9.583 -4.000 1.00 1.26 C ATOM 2071 NH1 ARG B 28 3.112 9.252 -2.867 1.00 1.61 N ATOM 2072 NH2 ARG B 28 1.657 10.602 -4.025 1.00 1.87 N ATOM 0 H ARG B 28 5.450 4.675 -7.640 1.00 0.24 H new ATOM 0 HA ARG B 28 6.267 7.392 -8.503 1.00 0.27 H new ATOM 0 HB2 ARG B 28 5.720 6.299 -5.717 1.00 0.35 H new ATOM 0 HB3 ARG B 28 6.419 7.872 -6.046 1.00 0.35 H new ATOM 0 HG2 ARG B 28 4.413 8.710 -6.982 1.00 0.48 H new ATOM 0 HG3 ARG B 28 3.749 7.109 -7.236 1.00 0.48 H new ATOM 0 HD2 ARG B 28 3.140 6.843 -5.014 1.00 0.56 H new ATOM 0 HD3 ARG B 28 4.425 7.876 -4.420 1.00 0.56 H new ATOM 0 HE ARG B 28 2.224 9.158 -5.956 1.00 0.99 H new ATOM 0 HH11 ARG B 28 3.761 8.465 -2.848 1.00 1.61 H new ATOM 0 HH12 ARG B 28 2.932 9.785 -2.016 1.00 1.61 H new ATOM 0 HH21 ARG B 28 1.187 10.854 -4.895 1.00 1.87 H new ATOM 0 HH22 ARG B 28 1.476 11.135 -3.175 1.00 1.87 H new ATOM 2086 N CYS B 29 8.086 5.011 -8.171 1.00 0.21 N ATOM 2087 CA CYS B 29 9.436 4.468 -8.071 1.00 0.22 C ATOM 2088 C CYS B 29 10.439 5.326 -8.844 1.00 0.22 C ATOM 2089 O CYS B 29 11.501 5.686 -8.323 1.00 0.25 O ATOM 2090 CB CYS B 29 9.452 3.032 -8.597 1.00 0.27 C ATOM 2091 SG CYS B 29 8.400 2.777 -10.043 1.00 1.34 S ATOM 0 H CYS B 29 7.445 4.443 -8.725 1.00 0.21 H new ATOM 0 HA CYS B 29 9.732 4.475 -7.022 1.00 0.22 H new ATOM 0 HB2 CYS B 29 10.476 2.759 -8.851 1.00 0.27 H new ATOM 0 HB3 CYS B 29 9.131 2.359 -7.802 1.00 0.27 H new ATOM 0 HG CYS B 29 7.226 2.370 -9.659 1.00 1.34 H new ATOM 2097 N VAL B 30 10.082 5.675 -10.074 1.00 0.24 N ATOM 2098 CA VAL B 30 10.940 6.482 -10.932 1.00 0.31 C ATOM 2099 C VAL B 30 11.098 7.894 -10.372 1.00 0.33 C ATOM 2100 O VAL B 30 12.151 8.516 -10.512 1.00 0.38 O ATOM 2101 CB VAL B 30 10.384 6.563 -12.371 1.00 0.39 C ATOM 2102 CG1 VAL B 30 11.379 7.245 -13.299 1.00 1.01 C ATOM 2103 CG2 VAL B 30 10.030 5.176 -12.889 1.00 0.92 C ATOM 0 H VAL B 30 9.196 5.409 -10.502 1.00 0.24 H new ATOM 0 HA VAL B 30 11.914 5.994 -10.960 1.00 0.31 H new ATOM 0 HB VAL B 30 9.474 7.163 -12.349 1.00 0.39 H new ATOM 0 HG11 VAL B 30 10.965 7.290 -14.306 1.00 1.01 H new ATOM 0 HG12 VAL B 30 11.576 8.256 -12.942 1.00 1.01 H new ATOM 0 HG13 VAL B 30 12.310 6.678 -13.314 1.00 1.01 H new ATOM 0 HG21 VAL B 30 9.640 5.255 -13.904 1.00 0.92 H new ATOM 0 HG22 VAL B 30 10.922 4.550 -12.891 1.00 0.92 H new ATOM 0 HG23 VAL B 30 9.274 4.729 -12.244 1.00 0.92 H new ATOM 2113 N ALA B 31 10.053 8.383 -9.720 1.00 0.34 N ATOM 2114 CA ALA B 31 10.070 9.721 -9.139 1.00 0.40 C ATOM 2115 C ALA B 31 10.806 9.752 -7.801 1.00 0.39 C ATOM 2116 O ALA B 31 11.005 10.820 -7.222 1.00 0.45 O ATOM 2117 CB ALA B 31 8.650 10.235 -8.970 1.00 0.46 C ATOM 0 H ALA B 31 9.181 7.874 -9.579 1.00 0.34 H new ATOM 0 HA ALA B 31 10.611 10.372 -9.825 1.00 0.40 H new ATOM 0 HB1 ALA B 31 8.674 11.234 -8.536 1.00 0.46 H new ATOM 0 HB2 ALA B 31 8.159 10.274 -9.942 1.00 0.46 H new ATOM 0 HB3 ALA B 31 8.097 9.566 -8.311 1.00 0.46 H new ATOM 2123 N THR B 32 11.209 8.586 -7.312 1.00 0.36 N ATOM 2124 CA THR B 32 11.915 8.505 -6.040 1.00 0.38 C ATOM 2125 C THR B 32 13.377 8.093 -6.224 1.00 0.42 C ATOM 2126 O THR B 32 14.289 8.853 -5.896 1.00 0.48 O ATOM 2127 CB THR B 32 11.219 7.521 -5.077 1.00 0.37 C ATOM 2128 OG1 THR B 32 9.860 7.924 -4.872 1.00 0.36 O ATOM 2129 CG2 THR B 32 11.938 7.457 -3.734 1.00 0.44 C ATOM 0 H THR B 32 11.060 7.689 -7.774 1.00 0.36 H new ATOM 0 HA THR B 32 11.892 9.505 -5.607 1.00 0.38 H new ATOM 0 HB THR B 32 11.249 6.529 -5.529 1.00 0.37 H new ATOM 0 HG1 THR B 32 9.270 7.383 -5.437 1.00 0.36 H new ATOM 0 HG21 THR B 32 11.423 6.755 -3.078 1.00 0.44 H new ATOM 0 HG22 THR B 32 12.965 7.124 -3.886 1.00 0.44 H new ATOM 0 HG23 THR B 32 11.941 8.446 -3.276 1.00 0.44 H new ATOM 2137 N VAL B 33 13.602 6.895 -6.751 1.00 0.42 N ATOM 2138 CA VAL B 33 14.960 6.399 -6.946 1.00 0.52 C ATOM 2139 C VAL B 33 15.364 6.424 -8.415 1.00 0.57 C ATOM 2140 O VAL B 33 16.545 6.312 -8.746 1.00 0.99 O ATOM 2141 CB VAL B 33 15.135 4.969 -6.390 1.00 0.56 C ATOM 2142 CG1 VAL B 33 15.230 4.999 -4.871 1.00 0.67 C ATOM 2143 CG2 VAL B 33 13.993 4.067 -6.840 1.00 0.51 C ATOM 0 H VAL B 33 12.868 6.253 -7.049 1.00 0.42 H new ATOM 0 HA VAL B 33 15.613 7.072 -6.390 1.00 0.52 H new ATOM 0 HB VAL B 33 16.064 4.559 -6.787 1.00 0.56 H new ATOM 0 HG11 VAL B 33 15.353 3.984 -4.494 1.00 0.67 H new ATOM 0 HG12 VAL B 33 16.086 5.603 -4.572 1.00 0.67 H new ATOM 0 HG13 VAL B 33 14.319 5.431 -4.458 1.00 0.67 H new ATOM 0 HG21 VAL B 33 14.139 3.065 -6.435 1.00 0.51 H new ATOM 0 HG22 VAL B 33 13.047 4.470 -6.478 1.00 0.51 H new ATOM 0 HG23 VAL B 33 13.974 4.019 -7.929 1.00 0.51 H new ATOM 2153 N GLY B 34 14.386 6.576 -9.294 1.00 0.36 N ATOM 2154 CA GLY B 34 14.671 6.615 -10.716 1.00 0.38 C ATOM 2155 C GLY B 34 14.566 5.252 -11.366 1.00 0.33 C ATOM 2156 O GLY B 34 14.492 5.145 -12.588 1.00 0.38 O ATOM 0 H GLY B 34 13.400 6.673 -9.050 1.00 0.36 H new ATOM 0 HA2 GLY B 34 13.978 7.301 -11.203 1.00 0.38 H new ATOM 0 HA3 GLY B 34 15.674 7.012 -10.871 1.00 0.38 H new ATOM 2160 N TYR B 35 14.563 4.214 -10.545 1.00 0.32 N ATOM 2161 CA TYR B 35 14.462 2.847 -11.035 1.00 0.31 C ATOM 2162 C TYR B 35 13.121 2.622 -11.711 1.00 0.29 C ATOM 2163 O TYR B 35 12.076 2.999 -11.175 1.00 0.35 O ATOM 2164 CB TYR B 35 14.619 1.853 -9.883 1.00 0.33 C ATOM 2165 CG TYR B 35 16.040 1.402 -9.642 1.00 0.30 C ATOM 2166 CD1 TYR B 35 16.739 0.692 -10.608 1.00 0.39 C ATOM 2167 CD2 TYR B 35 16.675 1.672 -8.439 1.00 0.30 C ATOM 2168 CE1 TYR B 35 18.031 0.264 -10.383 1.00 0.39 C ATOM 2169 CE2 TYR B 35 17.969 1.251 -8.207 1.00 0.30 C ATOM 2170 CZ TYR B 35 18.642 0.546 -9.182 1.00 0.30 C ATOM 2171 OH TYR B 35 19.928 0.119 -8.949 1.00 0.34 O ATOM 0 H TYR B 35 14.630 4.292 -9.530 1.00 0.32 H new ATOM 0 HA TYR B 35 15.261 2.688 -11.759 1.00 0.31 H new ATOM 0 HB2 TYR B 35 14.235 2.309 -8.970 1.00 0.33 H new ATOM 0 HB3 TYR B 35 14.002 0.978 -10.087 1.00 0.33 H new ATOM 0 HD1 TYR B 35 16.263 0.471 -11.552 1.00 0.39 H new ATOM 0 HD2 TYR B 35 16.149 2.220 -7.672 1.00 0.30 H new ATOM 0 HE1 TYR B 35 18.560 -0.289 -11.145 1.00 0.39 H new ATOM 0 HE2 TYR B 35 18.452 1.473 -7.267 1.00 0.30 H new ATOM 0 HH TYR B 35 19.907 -0.734 -8.467 1.00 0.34 H new ATOM 2181 N GLN B 36 13.157 2.018 -12.888 1.00 0.30 N ATOM 2182 CA GLN B 36 11.942 1.732 -13.627 1.00 0.31 C ATOM 2183 C GLN B 36 11.204 0.583 -12.952 1.00 0.30 C ATOM 2184 O GLN B 36 11.837 -0.305 -12.378 1.00 0.35 O ATOM 2185 CB GLN B 36 12.265 1.360 -15.078 1.00 0.40 C ATOM 2186 CG GLN B 36 13.131 2.378 -15.807 1.00 0.42 C ATOM 2187 CD GLN B 36 12.484 3.745 -15.911 1.00 0.81 C ATOM 2188 OE1 GLN B 36 11.701 4.006 -16.828 1.00 1.63 O ATOM 2189 NE2 GLN B 36 12.819 4.634 -14.991 1.00 1.29 N ATOM 0 H GLN B 36 14.015 1.717 -13.350 1.00 0.30 H new ATOM 0 HA GLN B 36 11.314 2.623 -13.633 1.00 0.31 H new ATOM 0 HB2 GLN B 36 12.771 0.395 -15.089 1.00 0.40 H new ATOM 0 HB3 GLN B 36 11.331 1.236 -15.626 1.00 0.40 H new ATOM 0 HG2 GLN B 36 14.085 2.473 -15.288 1.00 0.42 H new ATOM 0 HG3 GLN B 36 13.349 2.009 -16.809 1.00 0.42 H new ATOM 0 HE21 GLN B 36 13.470 4.379 -14.248 1.00 1.29 H new ATOM 0 HE22 GLN B 36 12.426 5.575 -15.024 1.00 1.29 H new ATOM 2198 N PRO B 37 9.865 0.574 -13.003 1.00 0.33 N ATOM 2199 CA PRO B 37 9.063 -0.486 -12.384 1.00 0.35 C ATOM 2200 C PRO B 37 9.467 -1.870 -12.882 1.00 0.31 C ATOM 2201 O PRO B 37 9.440 -2.849 -12.138 1.00 0.30 O ATOM 2202 CB PRO B 37 7.632 -0.160 -12.820 1.00 0.43 C ATOM 2203 CG PRO B 37 7.649 1.295 -13.135 1.00 0.49 C ATOM 2204 CD PRO B 37 9.027 1.592 -13.657 1.00 0.40 C ATOM 0 HA PRO B 37 9.192 -0.516 -11.302 1.00 0.35 H new ATOM 0 HB2 PRO B 37 7.340 -0.749 -13.690 1.00 0.43 H new ATOM 0 HB3 PRO B 37 6.917 -0.384 -12.028 1.00 0.43 H new ATOM 0 HG2 PRO B 37 6.890 1.542 -13.877 1.00 0.49 H new ATOM 0 HG3 PRO B 37 7.432 1.889 -12.247 1.00 0.49 H new ATOM 0 HD2 PRO B 37 9.071 1.512 -14.743 1.00 0.40 H new ATOM 0 HD3 PRO B 37 9.346 2.602 -13.399 1.00 0.40 H new ATOM 2212 N GLN B 38 9.877 -1.927 -14.141 1.00 0.33 N ATOM 2213 CA GLN B 38 10.288 -3.172 -14.773 1.00 0.35 C ATOM 2214 C GLN B 38 11.652 -3.640 -14.259 1.00 0.34 C ATOM 2215 O GLN B 38 12.029 -4.797 -14.450 1.00 0.33 O ATOM 2216 CB GLN B 38 10.333 -2.999 -16.295 1.00 0.46 C ATOM 2217 CG GLN B 38 9.019 -2.518 -16.902 1.00 0.57 C ATOM 2218 CD GLN B 38 8.944 -1.004 -17.032 1.00 1.14 C ATOM 2219 OE1 GLN B 38 9.593 -0.273 -16.286 1.00 2.03 O ATOM 2220 NE2 GLN B 38 8.149 -0.524 -17.975 1.00 1.34 N ATOM 0 H GLN B 38 9.934 -1.112 -14.752 1.00 0.33 H new ATOM 0 HA GLN B 38 9.553 -3.935 -14.516 1.00 0.35 H new ATOM 0 HB2 GLN B 38 11.120 -2.288 -16.547 1.00 0.46 H new ATOM 0 HB3 GLN B 38 10.606 -3.951 -16.751 1.00 0.46 H new ATOM 0 HG2 GLN B 38 8.893 -2.968 -17.887 1.00 0.57 H new ATOM 0 HG3 GLN B 38 8.191 -2.866 -16.284 1.00 0.57 H new ATOM 0 HE21 GLN B 38 7.626 -1.162 -18.575 1.00 1.34 H new ATOM 0 HE22 GLN B 38 8.059 0.484 -18.102 1.00 1.34 H new ATOM 2229 N GLU B 39 12.390 -2.748 -13.611 1.00 0.39 N ATOM 2230 CA GLU B 39 13.702 -3.093 -13.076 1.00 0.44 C ATOM 2231 C GLU B 39 13.555 -3.826 -11.750 1.00 0.44 C ATOM 2232 O GLU B 39 14.380 -4.664 -11.399 1.00 0.53 O ATOM 2233 CB GLU B 39 14.560 -1.841 -12.876 1.00 0.55 C ATOM 2234 CG GLU B 39 14.924 -1.125 -14.168 1.00 0.59 C ATOM 2235 CD GLU B 39 15.954 -0.030 -13.961 1.00 1.16 C ATOM 2236 OE1 GLU B 39 17.142 -0.357 -13.768 1.00 1.59 O ATOM 2237 OE2 GLU B 39 15.584 1.165 -14.008 1.00 1.69 O ATOM 0 H GLU B 39 12.104 -1.783 -13.443 1.00 0.39 H new ATOM 0 HA GLU B 39 14.197 -3.744 -13.797 1.00 0.44 H new ATOM 0 HB2 GLU B 39 14.026 -1.147 -12.227 1.00 0.55 H new ATOM 0 HB3 GLU B 39 15.477 -2.121 -12.357 1.00 0.55 H new ATOM 0 HG2 GLU B 39 15.310 -1.850 -14.884 1.00 0.59 H new ATOM 0 HG3 GLU B 39 14.024 -0.693 -14.605 1.00 0.59 H new ATOM 2244 N LEU B 40 12.492 -3.507 -11.022 1.00 0.41 N ATOM 2245 CA LEU B 40 12.237 -4.130 -9.728 1.00 0.44 C ATOM 2246 C LEU B 40 11.568 -5.491 -9.900 1.00 0.40 C ATOM 2247 O LEU B 40 11.658 -6.356 -9.028 1.00 0.45 O ATOM 2248 CB LEU B 40 11.354 -3.223 -8.860 1.00 0.50 C ATOM 2249 CG LEU B 40 12.076 -2.079 -8.134 1.00 0.53 C ATOM 2250 CD1 LEU B 40 13.395 -2.557 -7.549 1.00 1.10 C ATOM 2251 CD2 LEU B 40 12.299 -0.898 -9.067 1.00 1.24 C ATOM 0 H LEU B 40 11.792 -2.821 -11.305 1.00 0.41 H new ATOM 0 HA LEU B 40 13.196 -4.274 -9.231 1.00 0.44 H new ATOM 0 HB2 LEU B 40 10.577 -2.793 -9.492 1.00 0.50 H new ATOM 0 HB3 LEU B 40 10.853 -3.841 -8.115 1.00 0.50 H new ATOM 0 HG LEU B 40 11.440 -1.747 -7.314 1.00 0.53 H new ATOM 0 HD11 LEU B 40 13.888 -1.729 -7.040 1.00 1.10 H new ATOM 0 HD12 LEU B 40 13.207 -3.361 -6.837 1.00 1.10 H new ATOM 0 HD13 LEU B 40 14.037 -2.924 -8.350 1.00 1.10 H new ATOM 0 HD21 LEU B 40 12.812 -0.101 -8.529 1.00 1.24 H new ATOM 0 HD22 LEU B 40 12.907 -1.214 -9.914 1.00 1.24 H new ATOM 0 HD23 LEU B 40 11.337 -0.532 -9.427 1.00 1.24 H new ATOM 2263 N LEU B 41 10.897 -5.672 -11.029 1.00 0.34 N ATOM 2264 CA LEU B 41 10.210 -6.925 -11.318 1.00 0.34 C ATOM 2265 C LEU B 41 11.211 -8.042 -11.592 1.00 0.38 C ATOM 2266 O LEU B 41 11.779 -8.126 -12.681 1.00 0.43 O ATOM 2267 CB LEU B 41 9.277 -6.757 -12.519 1.00 0.29 C ATOM 2268 CG LEU B 41 8.184 -5.702 -12.354 1.00 0.28 C ATOM 2269 CD1 LEU B 41 7.469 -5.470 -13.675 1.00 0.30 C ATOM 2270 CD2 LEU B 41 7.198 -6.123 -11.278 1.00 0.30 C ATOM 0 H LEU B 41 10.813 -4.967 -11.761 1.00 0.34 H new ATOM 0 HA LEU B 41 9.619 -7.195 -10.443 1.00 0.34 H new ATOM 0 HB2 LEU B 41 9.878 -6.501 -13.392 1.00 0.29 H new ATOM 0 HB3 LEU B 41 8.804 -7.717 -12.728 1.00 0.29 H new ATOM 0 HG LEU B 41 8.649 -4.766 -12.045 1.00 0.28 H new ATOM 0 HD11 LEU B 41 6.693 -4.716 -13.541 1.00 0.30 H new ATOM 0 HD12 LEU B 41 8.185 -5.125 -14.421 1.00 0.30 H new ATOM 0 HD13 LEU B 41 7.015 -6.402 -14.012 1.00 0.30 H new ATOM 0 HD21 LEU B 41 6.426 -5.360 -11.173 1.00 0.30 H new ATOM 0 HD22 LEU B 41 6.737 -7.070 -11.558 1.00 0.30 H new ATOM 0 HD23 LEU B 41 7.723 -6.241 -10.330 1.00 0.30 H new ATOM 2282 N GLY B 42 11.439 -8.882 -10.593 1.00 0.43 N ATOM 2283 CA GLY B 42 12.366 -9.985 -10.750 1.00 0.51 C ATOM 2284 C GLY B 42 13.631 -9.791 -9.944 1.00 0.49 C ATOM 2285 O GLY B 42 14.473 -10.689 -9.866 1.00 0.53 O ATOM 0 H GLY B 42 10.998 -8.820 -9.675 1.00 0.43 H new ATOM 0 HA2 GLY B 42 11.880 -10.911 -10.443 1.00 0.51 H new ATOM 0 HA3 GLY B 42 12.622 -10.094 -11.804 1.00 0.51 H new ATOM 2289 N LYS B 43 13.765 -8.620 -9.342 1.00 0.46 N ATOM 2290 CA LYS B 43 14.931 -8.305 -8.535 1.00 0.47 C ATOM 2291 C LYS B 43 14.538 -8.176 -7.071 1.00 0.40 C ATOM 2292 O LYS B 43 13.396 -7.836 -6.754 1.00 0.50 O ATOM 2293 CB LYS B 43 15.588 -7.009 -9.019 1.00 0.57 C ATOM 2294 CG LYS B 43 16.252 -7.122 -10.386 1.00 0.73 C ATOM 2295 CD LYS B 43 17.613 -7.796 -10.301 1.00 0.81 C ATOM 2296 CE LYS B 43 17.492 -9.311 -10.321 1.00 1.70 C ATOM 2297 NZ LYS B 43 18.728 -9.973 -9.833 1.00 2.45 N ATOM 0 H LYS B 43 13.077 -7.869 -9.398 1.00 0.46 H new ATOM 0 HA LYS B 43 15.650 -9.118 -8.638 1.00 0.47 H new ATOM 0 HB2 LYS B 43 14.833 -6.224 -9.057 1.00 0.57 H new ATOM 0 HB3 LYS B 43 16.335 -6.698 -8.289 1.00 0.57 H new ATOM 0 HG2 LYS B 43 15.607 -7.689 -11.057 1.00 0.73 H new ATOM 0 HG3 LYS B 43 16.366 -6.128 -10.818 1.00 0.73 H new ATOM 0 HD2 LYS B 43 18.234 -7.469 -11.135 1.00 0.81 H new ATOM 0 HD3 LYS B 43 18.118 -7.483 -9.387 1.00 0.81 H new ATOM 0 HE2 LYS B 43 16.648 -9.616 -9.702 1.00 1.70 H new ATOM 0 HE3 LYS B 43 17.279 -9.645 -11.337 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 18.474 -10.809 -9.269 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 19.309 -10.266 -10.645 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 19.268 -9.308 -9.243 1.00 2.45 H new ATOM 2311 N ASN B 44 15.478 -8.464 -6.186 1.00 0.32 N ATOM 2312 CA ASN B 44 15.227 -8.368 -4.759 1.00 0.29 C ATOM 2313 C ASN B 44 15.608 -6.986 -4.263 1.00 0.28 C ATOM 2314 O ASN B 44 16.619 -6.423 -4.684 1.00 0.30 O ATOM 2315 CB ASN B 44 16.021 -9.426 -3.982 1.00 0.30 C ATOM 2316 CG ASN B 44 15.628 -10.847 -4.337 1.00 0.91 C ATOM 2317 OD1 ASN B 44 16.091 -11.397 -5.332 1.00 1.92 O ATOM 2318 ND2 ASN B 44 14.798 -11.463 -3.509 1.00 0.70 N ATOM 0 H ASN B 44 16.421 -8.766 -6.431 1.00 0.32 H new ATOM 0 HA ASN B 44 14.164 -8.543 -4.591 1.00 0.29 H new ATOM 0 HB2 ASN B 44 17.084 -9.290 -4.179 1.00 0.30 H new ATOM 0 HB3 ASN B 44 15.872 -9.271 -2.913 1.00 0.30 H new ATOM 0 HD21 ASN B 44 14.522 -12.429 -3.688 1.00 0.70 H new ATOM 0 HD22 ASN B 44 14.434 -10.972 -2.692 1.00 0.70 H new ATOM 2325 N ILE B 45 14.796 -6.446 -3.368 1.00 0.25 N ATOM 2326 CA ILE B 45 15.042 -5.128 -2.791 1.00 0.25 C ATOM 2327 C ILE B 45 16.410 -5.074 -2.099 1.00 0.24 C ATOM 2328 O ILE B 45 17.057 -4.028 -2.050 1.00 0.31 O ATOM 2329 CB ILE B 45 13.925 -4.753 -1.782 1.00 0.25 C ATOM 2330 CG1 ILE B 45 14.204 -3.389 -1.143 1.00 0.27 C ATOM 2331 CG2 ILE B 45 13.785 -5.831 -0.714 1.00 0.24 C ATOM 2332 CD1 ILE B 45 13.062 -2.863 -0.300 1.00 0.28 C ATOM 0 H ILE B 45 13.953 -6.903 -3.021 1.00 0.25 H new ATOM 0 HA ILE B 45 15.038 -4.405 -3.607 1.00 0.25 H new ATOM 0 HB ILE B 45 12.983 -4.685 -2.326 1.00 0.25 H new ATOM 0 HG12 ILE B 45 15.096 -3.465 -0.522 1.00 0.27 H new ATOM 0 HG13 ILE B 45 14.424 -2.668 -1.930 1.00 0.27 H new ATOM 0 HG21 ILE B 45 12.997 -5.551 -0.015 1.00 0.24 H new ATOM 0 HG22 ILE B 45 13.531 -6.780 -1.186 1.00 0.24 H new ATOM 0 HG23 ILE B 45 14.727 -5.934 -0.176 1.00 0.24 H new ATOM 0 HD11 ILE B 45 13.335 -1.894 0.118 1.00 0.28 H new ATOM 0 HD12 ILE B 45 12.172 -2.753 -0.920 1.00 0.28 H new ATOM 0 HD13 ILE B 45 12.855 -3.563 0.510 1.00 0.28 H new ATOM 2344 N VAL B 46 16.860 -6.221 -1.601 1.00 0.21 N ATOM 2345 CA VAL B 46 18.136 -6.312 -0.903 1.00 0.23 C ATOM 2346 C VAL B 46 19.325 -6.122 -1.857 1.00 0.23 C ATOM 2347 O VAL B 46 20.415 -5.745 -1.428 1.00 0.29 O ATOM 2348 CB VAL B 46 18.262 -7.666 -0.159 1.00 0.26 C ATOM 2349 CG1 VAL B 46 18.473 -8.814 -1.136 1.00 1.08 C ATOM 2350 CG2 VAL B 46 19.378 -7.616 0.875 1.00 1.15 C ATOM 0 H VAL B 46 16.356 -7.105 -1.669 1.00 0.21 H new ATOM 0 HA VAL B 46 18.160 -5.503 -0.173 1.00 0.23 H new ATOM 0 HB VAL B 46 17.324 -7.847 0.366 1.00 0.26 H new ATOM 0 HG11 VAL B 46 18.558 -9.750 -0.584 1.00 1.08 H new ATOM 0 HG12 VAL B 46 17.626 -8.871 -1.819 1.00 1.08 H new ATOM 0 HG13 VAL B 46 19.387 -8.644 -1.705 1.00 1.08 H new ATOM 0 HG21 VAL B 46 19.446 -8.578 1.383 1.00 1.15 H new ATOM 0 HG22 VAL B 46 20.324 -7.400 0.379 1.00 1.15 H new ATOM 0 HG23 VAL B 46 19.164 -6.835 1.604 1.00 1.15 H new ATOM 2360 N GLU B 47 19.104 -6.345 -3.150 1.00 0.23 N ATOM 2361 CA GLU B 47 20.169 -6.206 -4.140 1.00 0.27 C ATOM 2362 C GLU B 47 20.577 -4.745 -4.306 1.00 0.25 C ATOM 2363 O GLU B 47 21.733 -4.440 -4.599 1.00 0.35 O ATOM 2364 CB GLU B 47 19.723 -6.778 -5.485 1.00 0.34 C ATOM 2365 CG GLU B 47 19.463 -8.277 -5.451 1.00 0.42 C ATOM 2366 CD GLU B 47 19.113 -8.839 -6.813 1.00 1.07 C ATOM 2367 OE1 GLU B 47 19.988 -8.843 -7.705 1.00 1.06 O ATOM 2368 OE2 GLU B 47 17.968 -9.295 -6.998 1.00 1.96 O ATOM 0 H GLU B 47 18.201 -6.622 -3.536 1.00 0.23 H new ATOM 0 HA GLU B 47 21.033 -6.766 -3.783 1.00 0.27 H new ATOM 0 HB2 GLU B 47 18.815 -6.267 -5.805 1.00 0.34 H new ATOM 0 HB3 GLU B 47 20.488 -6.567 -6.232 1.00 0.34 H new ATOM 0 HG2 GLU B 47 20.347 -8.787 -5.068 1.00 0.42 H new ATOM 0 HG3 GLU B 47 18.649 -8.485 -4.756 1.00 0.42 H new ATOM 2375 N PHE B 48 19.628 -3.843 -4.102 1.00 0.22 N ATOM 2376 CA PHE B 48 19.891 -2.417 -4.235 1.00 0.26 C ATOM 2377 C PHE B 48 19.940 -1.766 -2.859 1.00 0.26 C ATOM 2378 O PHE B 48 19.733 -0.562 -2.718 1.00 0.33 O ATOM 2379 CB PHE B 48 18.811 -1.751 -5.092 1.00 0.32 C ATOM 2380 CG PHE B 48 18.449 -2.532 -6.323 1.00 0.35 C ATOM 2381 CD1 PHE B 48 19.365 -2.707 -7.349 1.00 0.40 C ATOM 2382 CD2 PHE B 48 17.190 -3.093 -6.451 1.00 0.39 C ATOM 2383 CE1 PHE B 48 19.029 -3.427 -8.480 1.00 0.45 C ATOM 2384 CE2 PHE B 48 16.849 -3.813 -7.580 1.00 0.45 C ATOM 2385 CZ PHE B 48 17.770 -3.981 -8.595 1.00 0.46 C ATOM 0 H PHE B 48 18.668 -4.073 -3.844 1.00 0.22 H new ATOM 0 HA PHE B 48 20.855 -2.285 -4.726 1.00 0.26 H new ATOM 0 HB2 PHE B 48 17.916 -1.609 -4.487 1.00 0.32 H new ATOM 0 HB3 PHE B 48 19.155 -0.760 -5.389 1.00 0.32 H new ATOM 0 HD1 PHE B 48 20.352 -2.276 -7.264 1.00 0.40 H new ATOM 0 HD2 PHE B 48 16.466 -2.967 -5.660 1.00 0.39 H new ATOM 0 HE1 PHE B 48 19.751 -3.556 -9.273 1.00 0.45 H new ATOM 0 HE2 PHE B 48 15.863 -4.244 -7.669 1.00 0.45 H new ATOM 0 HZ PHE B 48 17.506 -4.545 -9.477 1.00 0.46 H new ATOM 2395 N CYS B 49 20.214 -2.575 -1.849 1.00 0.23 N ATOM 2396 CA CYS B 49 20.286 -2.088 -0.482 1.00 0.28 C ATOM 2397 C CYS B 49 21.735 -1.976 -0.024 1.00 0.30 C ATOM 2398 O CYS B 49 22.597 -2.745 -0.457 1.00 0.38 O ATOM 2399 CB CYS B 49 19.510 -3.018 0.455 1.00 0.31 C ATOM 2400 SG CYS B 49 19.543 -2.525 2.197 1.00 1.17 S ATOM 0 H CYS B 49 20.391 -3.574 -1.951 1.00 0.23 H new ATOM 0 HA CYS B 49 19.836 -1.096 -0.450 1.00 0.28 H new ATOM 0 HB2 CYS B 49 18.473 -3.065 0.123 1.00 0.31 H new ATOM 0 HB3 CYS B 49 19.918 -4.025 0.367 1.00 0.31 H new ATOM 0 HG CYS B 49 18.722 -1.534 2.383 1.00 1.17 H new ATOM 2406 N HIS B 50 21.987 -0.994 0.835 1.00 0.32 N ATOM 2407 CA HIS B 50 23.312 -0.752 1.396 1.00 0.38 C ATOM 2408 C HIS B 50 23.813 -2.017 2.089 1.00 0.32 C ATOM 2409 O HIS B 50 23.115 -2.569 2.927 1.00 0.31 O ATOM 2410 CB HIS B 50 23.216 0.410 2.393 1.00 0.54 C ATOM 2411 CG HIS B 50 24.521 1.011 2.816 1.00 0.41 C ATOM 2412 ND1 HIS B 50 24.793 1.334 4.125 1.00 1.06 N ATOM 2413 CD2 HIS B 50 25.608 1.390 2.104 1.00 1.18 C ATOM 2414 CE1 HIS B 50 25.987 1.886 4.203 1.00 0.87 C ATOM 2415 NE2 HIS B 50 26.504 1.931 2.993 1.00 1.08 N ATOM 0 H HIS B 50 21.276 -0.341 1.163 1.00 0.32 H new ATOM 0 HA HIS B 50 24.017 -0.492 0.607 1.00 0.38 H new ATOM 0 HB2 HIS B 50 22.602 1.194 1.951 1.00 0.54 H new ATOM 0 HB3 HIS B 50 22.693 0.059 3.283 1.00 0.54 H new ATOM 0 HD1 HIS B 50 24.167 1.171 4.914 1.00 1.06 H new ATOM 0 HD2 HIS B 50 25.745 1.286 1.038 1.00 1.18 H new ATOM 0 HE1 HIS B 50 26.461 2.241 5.106 1.00 0.87 H new ATOM 2424 N PRO B 51 25.013 -2.502 1.726 1.00 0.35 N ATOM 2425 CA PRO B 51 25.601 -3.720 2.307 1.00 0.38 C ATOM 2426 C PRO B 51 25.477 -3.792 3.832 1.00 0.36 C ATOM 2427 O PRO B 51 25.045 -4.805 4.379 1.00 0.46 O ATOM 2428 CB PRO B 51 27.065 -3.622 1.891 1.00 0.47 C ATOM 2429 CG PRO B 51 27.036 -2.885 0.599 1.00 0.72 C ATOM 2430 CD PRO B 51 25.889 -1.914 0.694 1.00 0.44 C ATOM 0 HA PRO B 51 25.091 -4.618 1.958 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.655 -3.091 2.638 1.00 0.47 H new ATOM 0 HB3 PRO B 51 27.512 -4.609 1.775 1.00 0.47 H new ATOM 0 HG2 PRO B 51 27.976 -2.361 0.429 1.00 0.72 H new ATOM 0 HG3 PRO B 51 26.897 -3.571 -0.237 1.00 0.72 H new ATOM 0 HD2 PRO B 51 26.230 -0.919 0.979 1.00 0.44 H new ATOM 0 HD3 PRO B 51 25.371 -1.812 -0.260 1.00 0.44 H new ATOM 2438 N GLU B 52 25.839 -2.709 4.512 1.00 0.37 N ATOM 2439 CA GLU B 52 25.770 -2.653 5.975 1.00 0.38 C ATOM 2440 C GLU B 52 24.332 -2.501 6.479 1.00 0.37 C ATOM 2441 O GLU B 52 24.097 -2.394 7.683 1.00 0.40 O ATOM 2442 CB GLU B 52 26.621 -1.496 6.507 1.00 0.45 C ATOM 2443 CG GLU B 52 28.073 -1.532 6.054 1.00 0.78 C ATOM 2444 CD GLU B 52 28.324 -0.668 4.836 1.00 1.36 C ATOM 2445 OE1 GLU B 52 27.872 -1.035 3.730 1.00 2.04 O ATOM 2446 OE2 GLU B 52 28.978 0.386 4.976 1.00 1.70 O ATOM 0 H GLU B 52 26.184 -1.854 4.076 1.00 0.37 H new ATOM 0 HA GLU B 52 26.160 -3.600 6.348 1.00 0.38 H new ATOM 0 HB2 GLU B 52 26.175 -0.554 6.187 1.00 0.45 H new ATOM 0 HB3 GLU B 52 26.591 -1.509 7.597 1.00 0.45 H new ATOM 0 HG2 GLU B 52 28.713 -1.197 6.870 1.00 0.78 H new ATOM 0 HG3 GLU B 52 28.354 -2.561 5.829 1.00 0.78 H new ATOM 2453 N ASP B 53 23.376 -2.492 5.563 1.00 0.36 N ATOM 2454 CA ASP B 53 21.967 -2.351 5.920 1.00 0.37 C ATOM 2455 C ASP B 53 21.153 -3.516 5.375 1.00 0.38 C ATOM 2456 O ASP B 53 19.951 -3.614 5.623 1.00 0.42 O ATOM 2457 CB ASP B 53 21.399 -1.037 5.375 1.00 0.47 C ATOM 2458 CG ASP B 53 21.851 0.172 6.163 1.00 0.48 C ATOM 2459 OD1 ASP B 53 21.367 0.371 7.292 1.00 1.09 O ATOM 2460 OD2 ASP B 53 22.692 0.940 5.650 1.00 1.10 O ATOM 0 H ASP B 53 23.548 -2.581 4.562 1.00 0.36 H new ATOM 0 HA ASP B 53 21.900 -2.346 7.008 1.00 0.37 H new ATOM 0 HB2 ASP B 53 21.702 -0.920 4.334 1.00 0.47 H new ATOM 0 HB3 ASP B 53 20.310 -1.085 5.386 1.00 0.47 H new ATOM 2465 N GLN B 54 21.815 -4.403 4.639 1.00 0.41 N ATOM 2466 CA GLN B 54 21.151 -5.557 4.045 1.00 0.47 C ATOM 2467 C GLN B 54 20.600 -6.486 5.119 1.00 0.50 C ATOM 2468 O GLN B 54 19.444 -6.910 5.051 1.00 0.53 O ATOM 2469 CB GLN B 54 22.110 -6.320 3.133 1.00 0.56 C ATOM 2470 CG GLN B 54 22.414 -5.596 1.831 1.00 0.65 C ATOM 2471 CD GLN B 54 23.216 -6.445 0.868 1.00 0.69 C ATOM 2472 OE1 GLN B 54 24.020 -7.280 1.278 1.00 1.10 O ATOM 2473 NE2 GLN B 54 22.997 -6.242 -0.419 1.00 0.80 N ATOM 0 H GLN B 54 22.814 -4.344 4.440 1.00 0.41 H new ATOM 0 HA GLN B 54 20.316 -5.189 3.448 1.00 0.47 H new ATOM 0 HB2 GLN B 54 23.043 -6.497 3.667 1.00 0.56 H new ATOM 0 HB3 GLN B 54 21.683 -7.297 2.905 1.00 0.56 H new ATOM 0 HG2 GLN B 54 21.478 -5.300 1.357 1.00 0.65 H new ATOM 0 HG3 GLN B 54 22.964 -4.681 2.048 1.00 0.65 H new ATOM 0 HE21 GLN B 54 22.321 -5.539 -0.717 1.00 0.80 H new ATOM 0 HE22 GLN B 54 23.504 -6.789 -1.115 1.00 0.80 H new ATOM 2482 N GLN B 55 21.427 -6.792 6.113 1.00 0.54 N ATOM 2483 CA GLN B 55 21.015 -7.664 7.205 1.00 0.61 C ATOM 2484 C GLN B 55 19.863 -7.025 7.972 1.00 0.52 C ATOM 2485 O GLN B 55 18.885 -7.689 8.311 1.00 0.52 O ATOM 2486 CB GLN B 55 22.196 -7.940 8.140 1.00 0.76 C ATOM 2487 CG GLN B 55 21.850 -8.803 9.344 1.00 1.33 C ATOM 2488 CD GLN B 55 21.358 -10.187 8.961 1.00 1.73 C ATOM 2489 OE1 GLN B 55 21.760 -10.746 7.938 1.00 2.72 O ATOM 2490 NE2 GLN B 55 20.491 -10.747 9.785 1.00 1.51 N ATOM 0 H GLN B 55 22.385 -6.449 6.184 1.00 0.54 H new ATOM 0 HA GLN B 55 20.677 -8.614 6.792 1.00 0.61 H new ATOM 0 HB2 GLN B 55 22.988 -8.429 7.572 1.00 0.76 H new ATOM 0 HB3 GLN B 55 22.596 -6.989 8.492 1.00 0.76 H new ATOM 0 HG2 GLN B 55 22.730 -8.900 9.980 1.00 1.33 H new ATOM 0 HG3 GLN B 55 21.083 -8.302 9.935 1.00 1.33 H new ATOM 0 HE21 GLN B 55 20.186 -10.248 10.620 1.00 1.51 H new ATOM 0 HE22 GLN B 55 20.127 -11.679 9.586 1.00 1.51 H new ATOM 2499 N LEU B 56 19.985 -5.726 8.221 1.00 0.51 N ATOM 2500 CA LEU B 56 18.960 -4.970 8.929 1.00 0.51 C ATOM 2501 C LEU B 56 17.638 -5.020 8.168 1.00 0.42 C ATOM 2502 O LEU B 56 16.573 -5.210 8.761 1.00 0.42 O ATOM 2503 CB LEU B 56 19.408 -3.516 9.105 1.00 0.60 C ATOM 2504 CG LEU B 56 18.442 -2.619 9.881 1.00 0.63 C ATOM 2505 CD1 LEU B 56 18.505 -2.923 11.371 1.00 1.29 C ATOM 2506 CD2 LEU B 56 18.753 -1.154 9.618 1.00 1.42 C ATOM 0 H LEU B 56 20.793 -5.170 7.939 1.00 0.51 H new ATOM 0 HA LEU B 56 18.813 -5.419 9.911 1.00 0.51 H new ATOM 0 HB2 LEU B 56 20.371 -3.510 9.615 1.00 0.60 H new ATOM 0 HB3 LEU B 56 19.567 -3.081 8.118 1.00 0.60 H new ATOM 0 HG LEU B 56 17.429 -2.824 9.536 1.00 0.63 H new ATOM 0 HD11 LEU B 56 17.810 -2.274 11.904 1.00 1.29 H new ATOM 0 HD12 LEU B 56 18.233 -3.964 11.542 1.00 1.29 H new ATOM 0 HD13 LEU B 56 19.517 -2.748 11.735 1.00 1.29 H new ATOM 0 HD21 LEU B 56 18.057 -0.528 10.177 1.00 1.42 H new ATOM 0 HD22 LEU B 56 19.773 -0.936 9.935 1.00 1.42 H new ATOM 0 HD23 LEU B 56 18.652 -0.946 8.553 1.00 1.42 H new ATOM 2518 N LEU B 57 17.720 -4.857 6.853 1.00 0.40 N ATOM 2519 CA LEU B 57 16.543 -4.886 5.997 1.00 0.39 C ATOM 2520 C LEU B 57 15.871 -6.254 6.052 1.00 0.37 C ATOM 2521 O LEU B 57 14.681 -6.358 6.352 1.00 0.39 O ATOM 2522 CB LEU B 57 16.929 -4.564 4.549 1.00 0.48 C ATOM 2523 CG LEU B 57 16.123 -3.448 3.874 1.00 0.60 C ATOM 2524 CD1 LEU B 57 16.138 -3.622 2.362 1.00 1.01 C ATOM 2525 CD2 LEU B 57 14.692 -3.415 4.392 1.00 1.15 C ATOM 0 H LEU B 57 18.596 -4.702 6.355 1.00 0.40 H new ATOM 0 HA LEU B 57 15.843 -4.133 6.359 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.983 -4.289 4.527 1.00 0.48 H new ATOM 0 HB3 LEU B 57 16.824 -5.472 3.955 1.00 0.48 H new ATOM 0 HG LEU B 57 16.592 -2.496 4.121 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.561 -2.822 1.898 1.00 1.01 H new ATOM 0 HD12 LEU B 57 17.166 -3.585 2.002 1.00 1.01 H new ATOM 0 HD13 LEU B 57 15.697 -4.584 2.102 1.00 1.01 H new ATOM 0 HD21 LEU B 57 14.144 -2.614 3.896 1.00 1.15 H new ATOM 0 HD22 LEU B 57 14.208 -4.369 4.184 1.00 1.15 H new ATOM 0 HD23 LEU B 57 14.698 -3.238 5.468 1.00 1.15 H new ATOM 2537 N ARG B 58 16.647 -7.298 5.780 1.00 0.42 N ATOM 2538 CA ARG B 58 16.133 -8.662 5.782 1.00 0.50 C ATOM 2539 C ARG B 58 15.544 -9.031 7.143 1.00 0.44 C ATOM 2540 O ARG B 58 14.469 -9.628 7.223 1.00 0.44 O ATOM 2541 CB ARG B 58 17.245 -9.644 5.406 1.00 0.65 C ATOM 2542 CG ARG B 58 16.779 -11.088 5.303 1.00 1.08 C ATOM 2543 CD ARG B 58 17.904 -12.000 4.849 1.00 1.12 C ATOM 2544 NE ARG B 58 17.613 -13.405 5.120 1.00 1.90 N ATOM 2545 CZ ARG B 58 18.522 -14.288 5.537 1.00 2.21 C ATOM 2546 NH1 ARG B 58 19.788 -13.919 5.695 1.00 1.97 N ATOM 2547 NH2 ARG B 58 18.163 -15.540 5.788 1.00 3.01 N ATOM 0 H ARG B 58 17.639 -7.224 5.554 1.00 0.42 H new ATOM 0 HA ARG B 58 15.335 -8.723 5.042 1.00 0.50 H new ATOM 0 HB2 ARG B 58 17.676 -9.342 4.452 1.00 0.65 H new ATOM 0 HB3 ARG B 58 18.040 -9.581 6.149 1.00 0.65 H new ATOM 0 HG2 ARG B 58 16.406 -11.422 6.271 1.00 1.08 H new ATOM 0 HG3 ARG B 58 15.948 -11.155 4.601 1.00 1.08 H new ATOM 0 HD2 ARG B 58 18.072 -11.864 3.781 1.00 1.12 H new ATOM 0 HD3 ARG B 58 18.827 -11.717 5.355 1.00 1.12 H new ATOM 0 HE ARG B 58 16.656 -13.731 4.982 1.00 1.90 H new ATOM 0 HH11 ARG B 58 20.068 -12.958 5.497 1.00 1.97 H new ATOM 0 HH12 ARG B 58 20.481 -14.596 6.014 1.00 1.97 H new ATOM 0 HH21 ARG B 58 17.192 -15.827 5.662 1.00 3.01 H new ATOM 0 HH22 ARG B 58 18.858 -16.216 6.107 1.00 3.01 H new ATOM 2561 N ASP B 59 16.245 -8.662 8.208 1.00 0.42 N ATOM 2562 CA ASP B 59 15.788 -8.958 9.561 1.00 0.43 C ATOM 2563 C ASP B 59 14.456 -8.276 9.848 1.00 0.37 C ATOM 2564 O ASP B 59 13.559 -8.872 10.445 1.00 0.39 O ATOM 2565 CB ASP B 59 16.825 -8.519 10.594 1.00 0.49 C ATOM 2566 CG ASP B 59 16.399 -8.856 12.008 1.00 0.58 C ATOM 2567 OD1 ASP B 59 16.559 -10.022 12.420 1.00 0.76 O ATOM 2568 OD2 ASP B 59 15.890 -7.961 12.712 1.00 0.78 O ATOM 0 H ASP B 59 17.131 -8.158 8.162 1.00 0.42 H new ATOM 0 HA ASP B 59 15.652 -10.037 9.634 1.00 0.43 H new ATOM 0 HB2 ASP B 59 17.778 -9.002 10.378 1.00 0.49 H new ATOM 0 HB3 ASP B 59 16.986 -7.444 10.511 1.00 0.49 H new ATOM 2573 N SER B 60 14.329 -7.030 9.406 1.00 0.33 N ATOM 2574 CA SER B 60 13.104 -6.268 9.613 1.00 0.33 C ATOM 2575 C SER B 60 11.948 -6.874 8.822 1.00 0.28 C ATOM 2576 O SER B 60 10.794 -6.811 9.248 1.00 0.29 O ATOM 2577 CB SER B 60 13.312 -4.806 9.226 1.00 0.39 C ATOM 2578 OG SER B 60 14.372 -4.234 9.976 1.00 1.41 O ATOM 0 H SER B 60 15.059 -6.527 8.902 1.00 0.33 H new ATOM 0 HA SER B 60 12.850 -6.312 10.672 1.00 0.33 H new ATOM 0 HB2 SER B 60 13.534 -4.735 8.161 1.00 0.39 H new ATOM 0 HB3 SER B 60 12.394 -4.245 9.399 1.00 0.39 H new ATOM 0 HG SER B 60 15.229 -4.570 9.640 1.00 1.41 H new ATOM 2584 N PHE B 61 12.261 -7.467 7.675 1.00 0.30 N ATOM 2585 CA PHE B 61 11.240 -8.100 6.851 1.00 0.32 C ATOM 2586 C PHE B 61 10.643 -9.283 7.595 1.00 0.33 C ATOM 2587 O PHE B 61 9.431 -9.478 7.604 1.00 0.34 O ATOM 2588 CB PHE B 61 11.815 -8.555 5.508 1.00 0.39 C ATOM 2589 CG PHE B 61 11.989 -7.437 4.521 1.00 0.43 C ATOM 2590 CD1 PHE B 61 11.068 -6.405 4.455 1.00 0.62 C ATOM 2591 CD2 PHE B 61 13.075 -7.419 3.661 1.00 0.59 C ATOM 2592 CE1 PHE B 61 11.226 -5.374 3.550 1.00 0.70 C ATOM 2593 CE2 PHE B 61 13.239 -6.390 2.755 1.00 0.65 C ATOM 2594 CZ PHE B 61 12.314 -5.367 2.699 1.00 0.60 C ATOM 0 H PHE B 61 13.207 -7.522 7.297 1.00 0.30 H new ATOM 0 HA PHE B 61 10.459 -7.367 6.648 1.00 0.32 H new ATOM 0 HB2 PHE B 61 12.780 -9.032 5.678 1.00 0.39 H new ATOM 0 HB3 PHE B 61 11.157 -9.310 5.077 1.00 0.39 H new ATOM 0 HD1 PHE B 61 10.216 -6.406 5.119 1.00 0.62 H new ATOM 0 HD2 PHE B 61 13.801 -8.218 3.700 1.00 0.59 H new ATOM 0 HE1 PHE B 61 10.501 -4.575 3.508 1.00 0.70 H new ATOM 0 HE2 PHE B 61 14.090 -6.386 2.091 1.00 0.65 H new ATOM 0 HZ PHE B 61 12.441 -4.562 1.990 1.00 0.60 H new ATOM 2604 N GLN B 62 11.502 -10.059 8.241 1.00 0.35 N ATOM 2605 CA GLN B 62 11.052 -11.211 9.007 1.00 0.41 C ATOM 2606 C GLN B 62 10.269 -10.742 10.229 1.00 0.37 C ATOM 2607 O GLN B 62 9.358 -11.424 10.698 1.00 0.40 O ATOM 2608 CB GLN B 62 12.237 -12.082 9.430 1.00 0.52 C ATOM 2609 CG GLN B 62 13.025 -12.650 8.257 1.00 0.79 C ATOM 2610 CD GLN B 62 12.134 -13.293 7.210 1.00 1.44 C ATOM 2611 OE1 GLN B 62 11.671 -12.632 6.282 1.00 2.08 O ATOM 2612 NE2 GLN B 62 11.900 -14.589 7.341 1.00 2.12 N ATOM 0 H GLN B 62 12.511 -9.912 8.250 1.00 0.35 H new ATOM 0 HA GLN B 62 10.400 -11.817 8.377 1.00 0.41 H new ATOM 0 HB2 GLN B 62 12.907 -11.491 10.055 1.00 0.52 H new ATOM 0 HB3 GLN B 62 11.871 -12.905 10.044 1.00 0.52 H new ATOM 0 HG2 GLN B 62 13.605 -11.852 7.794 1.00 0.79 H new ATOM 0 HG3 GLN B 62 13.737 -13.389 8.626 1.00 0.79 H new ATOM 0 HE21 GLN B 62 12.302 -15.103 8.125 1.00 2.12 H new ATOM 0 HE22 GLN B 62 11.318 -15.074 6.658 1.00 2.12 H new ATOM 2621 N GLN B 63 10.626 -9.560 10.729 1.00 0.34 N ATOM 2622 CA GLN B 63 9.950 -8.980 11.882 1.00 0.36 C ATOM 2623 C GLN B 63 8.492 -8.693 11.546 1.00 0.29 C ATOM 2624 O GLN B 63 7.587 -9.058 12.296 1.00 0.32 O ATOM 2625 CB GLN B 63 10.626 -7.679 12.319 1.00 0.44 C ATOM 2626 CG GLN B 63 11.988 -7.859 12.965 1.00 0.66 C ATOM 2627 CD GLN B 63 12.545 -6.553 13.502 1.00 0.76 C ATOM 2628 OE1 GLN B 63 11.796 -5.658 13.894 1.00 1.33 O ATOM 2629 NE2 GLN B 63 13.861 -6.424 13.514 1.00 1.23 N ATOM 0 H GLN B 63 11.381 -8.987 10.351 1.00 0.34 H new ATOM 0 HA GLN B 63 10.008 -9.700 12.698 1.00 0.36 H new ATOM 0 HB2 GLN B 63 10.734 -7.031 11.449 1.00 0.44 H new ATOM 0 HB3 GLN B 63 9.971 -7.163 13.021 1.00 0.44 H new ATOM 0 HG2 GLN B 63 11.910 -8.580 13.778 1.00 0.66 H new ATOM 0 HG3 GLN B 63 12.682 -8.275 12.235 1.00 0.66 H new ATOM 0 HE21 GLN B 63 14.451 -7.187 13.182 1.00 1.23 H new ATOM 0 HE22 GLN B 63 14.286 -5.562 13.856 1.00 1.23 H new ATOM 2638 N VAL B 64 8.268 -8.055 10.398 1.00 0.26 N ATOM 2639 CA VAL B 64 6.917 -7.716 9.968 1.00 0.26 C ATOM 2640 C VAL B 64 6.115 -8.979 9.654 1.00 0.26 C ATOM 2641 O VAL B 64 4.888 -8.992 9.784 1.00 0.28 O ATOM 2642 CB VAL B 64 6.918 -6.754 8.751 1.00 0.28 C ATOM 2643 CG1 VAL B 64 7.118 -7.496 7.438 1.00 0.31 C ATOM 2644 CG2 VAL B 64 5.634 -5.945 8.719 1.00 0.30 C ATOM 0 H VAL B 64 9.003 -7.765 9.753 1.00 0.26 H new ATOM 0 HA VAL B 64 6.437 -7.194 10.796 1.00 0.26 H new ATOM 0 HB VAL B 64 7.763 -6.075 8.869 1.00 0.28 H new ATOM 0 HG11 VAL B 64 7.112 -6.784 6.613 1.00 0.31 H new ATOM 0 HG12 VAL B 64 8.074 -8.020 7.458 1.00 0.31 H new ATOM 0 HG13 VAL B 64 6.312 -8.217 7.301 1.00 0.31 H new ATOM 0 HG21 VAL B 64 5.648 -5.274 7.860 1.00 0.30 H new ATOM 0 HG22 VAL B 64 4.781 -6.619 8.639 1.00 0.30 H new ATOM 0 HG23 VAL B 64 5.550 -5.360 9.635 1.00 0.30 H new ATOM 2654 N VAL B 65 6.813 -10.041 9.253 1.00 0.29 N ATOM 2655 CA VAL B 65 6.165 -11.312 8.953 1.00 0.33 C ATOM 2656 C VAL B 65 5.606 -11.912 10.238 1.00 0.37 C ATOM 2657 O VAL B 65 4.521 -12.495 10.251 1.00 0.45 O ATOM 2658 CB VAL B 65 7.139 -12.313 8.284 1.00 0.40 C ATOM 2659 CG1 VAL B 65 6.523 -13.701 8.188 1.00 0.48 C ATOM 2660 CG2 VAL B 65 7.540 -11.825 6.903 1.00 0.39 C ATOM 0 H VAL B 65 7.825 -10.044 9.129 1.00 0.29 H new ATOM 0 HA VAL B 65 5.357 -11.120 8.248 1.00 0.33 H new ATOM 0 HB VAL B 65 8.029 -12.377 8.909 1.00 0.40 H new ATOM 0 HG11 VAL B 65 7.231 -14.381 7.714 1.00 0.48 H new ATOM 0 HG12 VAL B 65 6.285 -14.064 9.188 1.00 0.48 H new ATOM 0 HG13 VAL B 65 5.611 -13.654 7.593 1.00 0.48 H new ATOM 0 HG21 VAL B 65 8.225 -12.541 6.449 1.00 0.39 H new ATOM 0 HG22 VAL B 65 6.651 -11.727 6.280 1.00 0.39 H new ATOM 0 HG23 VAL B 65 8.032 -10.856 6.988 1.00 0.39 H new ATOM 2670 N LYS B 66 6.351 -11.742 11.322 1.00 0.37 N ATOM 2671 CA LYS B 66 5.938 -12.243 12.624 1.00 0.45 C ATOM 2672 C LYS B 66 4.815 -11.382 13.191 1.00 0.41 C ATOM 2673 O LYS B 66 3.894 -11.890 13.834 1.00 0.49 O ATOM 2674 CB LYS B 66 7.117 -12.241 13.592 1.00 0.57 C ATOM 2675 CG LYS B 66 8.229 -13.209 13.221 1.00 0.74 C ATOM 2676 CD LYS B 66 9.509 -12.899 13.981 1.00 0.67 C ATOM 2677 CE LYS B 66 9.271 -12.849 15.481 1.00 1.44 C ATOM 2678 NZ LYS B 66 10.320 -12.065 16.179 1.00 2.19 N ATOM 0 H LYS B 66 7.249 -11.258 11.324 1.00 0.37 H new ATOM 0 HA LYS B 66 5.579 -13.264 12.499 1.00 0.45 H new ATOM 0 HB2 LYS B 66 7.530 -11.233 13.643 1.00 0.57 H new ATOM 0 HB3 LYS B 66 6.754 -12.487 14.590 1.00 0.57 H new ATOM 0 HG2 LYS B 66 7.913 -14.229 13.438 1.00 0.74 H new ATOM 0 HG3 LYS B 66 8.418 -13.155 12.149 1.00 0.74 H new ATOM 0 HD2 LYS B 66 10.259 -13.657 13.756 1.00 0.67 H new ATOM 0 HD3 LYS B 66 9.911 -11.944 13.644 1.00 0.67 H new ATOM 0 HE2 LYS B 66 8.294 -12.407 15.680 1.00 1.44 H new ATOM 0 HE3 LYS B 66 9.249 -13.863 15.880 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 10.123 -12.054 17.200 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 11.249 -12.501 16.010 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 10.324 -11.090 15.816 1.00 2.19 H new ATOM 2692 N LEU B 67 4.912 -10.075 12.959 1.00 0.39 N ATOM 2693 CA LEU B 67 3.910 -9.124 13.430 1.00 0.43 C ATOM 2694 C LEU B 67 2.535 -9.469 12.872 1.00 0.62 C ATOM 2695 O LEU B 67 1.592 -9.690 13.635 1.00 1.30 O ATOM 2696 CB LEU B 67 4.296 -7.702 13.021 1.00 0.59 C ATOM 2697 CG LEU B 67 5.459 -7.093 13.804 1.00 0.54 C ATOM 2698 CD1 LEU B 67 5.904 -5.788 13.165 1.00 0.74 C ATOM 2699 CD2 LEU B 67 5.061 -6.864 15.254 1.00 0.79 C ATOM 0 H LEU B 67 5.682 -9.648 12.443 1.00 0.39 H new ATOM 0 HA LEU B 67 3.869 -9.183 14.518 1.00 0.43 H new ATOM 0 HB2 LEU B 67 4.553 -7.703 11.962 1.00 0.59 H new ATOM 0 HB3 LEU B 67 3.424 -7.058 13.137 1.00 0.59 H new ATOM 0 HG LEU B 67 6.295 -7.793 13.780 1.00 0.54 H new ATOM 0 HD11 LEU B 67 6.733 -5.368 13.735 1.00 0.74 H new ATOM 0 HD12 LEU B 67 6.226 -5.976 12.141 1.00 0.74 H new ATOM 0 HD13 LEU B 67 5.073 -5.083 13.160 1.00 0.74 H new ATOM 0 HD21 LEU B 67 5.900 -6.430 15.797 1.00 0.79 H new ATOM 0 HD22 LEU B 67 4.211 -6.183 15.295 1.00 0.79 H new ATOM 0 HD23 LEU B 67 4.786 -7.815 15.710 1.00 0.79 H new ATOM 2711 N LYS B 68 2.445 -9.525 11.541 1.00 0.48 N ATOM 2712 CA LYS B 68 1.202 -9.853 10.837 1.00 0.55 C ATOM 2713 C LYS B 68 0.121 -8.792 11.047 1.00 0.47 C ATOM 2714 O LYS B 68 -0.444 -8.659 12.132 1.00 0.50 O ATOM 2715 CB LYS B 68 0.680 -11.229 11.264 1.00 0.69 C ATOM 2716 CG LYS B 68 1.350 -12.386 10.544 1.00 0.56 C ATOM 2717 CD LYS B 68 0.705 -13.710 10.909 1.00 0.67 C ATOM 2718 CE LYS B 68 1.155 -14.824 9.979 1.00 0.69 C ATOM 2719 NZ LYS B 68 0.343 -16.056 10.161 1.00 1.04 N ATOM 0 H LYS B 68 3.233 -9.344 10.920 1.00 0.48 H new ATOM 0 HA LYS B 68 1.439 -9.876 9.773 1.00 0.55 H new ATOM 0 HB2 LYS B 68 0.827 -11.347 12.338 1.00 0.69 H new ATOM 0 HB3 LYS B 68 -0.394 -11.273 11.083 1.00 0.69 H new ATOM 0 HG2 LYS B 68 1.286 -12.233 9.467 1.00 0.56 H new ATOM 0 HG3 LYS B 68 2.409 -12.412 10.800 1.00 0.56 H new ATOM 0 HD2 LYS B 68 0.959 -13.968 11.937 1.00 0.67 H new ATOM 0 HD3 LYS B 68 -0.380 -13.612 10.863 1.00 0.67 H new ATOM 0 HE2 LYS B 68 1.079 -14.488 8.945 1.00 0.69 H new ATOM 0 HE3 LYS B 68 2.205 -15.050 10.164 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 0.294 -16.576 9.261 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 0.784 -16.658 10.885 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 -0.618 -15.797 10.464 1.00 1.04 H new ATOM 2733 N GLY B 69 -0.169 -8.045 9.991 1.00 0.50 N ATOM 2734 CA GLY B 69 -1.186 -7.011 10.059 1.00 0.59 C ATOM 2735 C GLY B 69 -0.693 -5.764 10.757 1.00 0.54 C ATOM 2736 O GLY B 69 -1.481 -4.886 11.110 1.00 0.57 O ATOM 0 H GLY B 69 0.284 -8.137 9.082 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -1.509 -6.756 9.050 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -2.059 -7.398 10.585 1.00 0.59 H new ATOM 2740 N GLN B 70 0.612 -5.687 10.953 1.00 0.50 N ATOM 2741 CA GLN B 70 1.226 -4.548 11.612 1.00 0.46 C ATOM 2742 C GLN B 70 2.267 -3.930 10.691 1.00 0.38 C ATOM 2743 O GLN B 70 2.930 -4.640 9.936 1.00 0.37 O ATOM 2744 CB GLN B 70 1.864 -4.979 12.939 1.00 0.50 C ATOM 2745 CG GLN B 70 2.609 -3.865 13.665 1.00 1.31 C ATOM 2746 CD GLN B 70 1.692 -2.765 14.158 1.00 1.89 C ATOM 2747 OE1 GLN B 70 1.409 -1.804 13.439 1.00 2.68 O ATOM 2748 NE2 GLN B 70 1.238 -2.888 15.394 1.00 2.32 N ATOM 0 H GLN B 70 1.272 -6.408 10.662 1.00 0.50 H new ATOM 0 HA GLN B 70 0.461 -3.803 11.832 1.00 0.46 H new ATOM 0 HB2 GLN B 70 1.085 -5.367 13.595 1.00 0.50 H new ATOM 0 HB3 GLN B 70 2.556 -5.799 12.747 1.00 0.50 H new ATOM 0 HG2 GLN B 70 3.148 -4.288 14.512 1.00 1.31 H new ATOM 0 HG3 GLN B 70 3.354 -3.436 12.995 1.00 1.31 H new ATOM 0 HE21 GLN B 70 1.497 -3.700 15.954 1.00 2.32 H new ATOM 0 HE22 GLN B 70 0.628 -2.171 15.787 1.00 2.32 H new ATOM 2757 N VAL B 71 2.396 -2.616 10.747 1.00 0.36 N ATOM 2758 CA VAL B 71 3.351 -1.910 9.913 1.00 0.32 C ATOM 2759 C VAL B 71 4.665 -1.698 10.662 1.00 0.31 C ATOM 2760 O VAL B 71 4.674 -1.322 11.836 1.00 0.39 O ATOM 2761 CB VAL B 71 2.782 -0.552 9.430 1.00 0.38 C ATOM 2762 CG1 VAL B 71 2.433 0.352 10.606 1.00 1.28 C ATOM 2763 CG2 VAL B 71 3.750 0.140 8.480 1.00 1.35 C ATOM 0 H VAL B 71 1.849 -2.015 11.364 1.00 0.36 H new ATOM 0 HA VAL B 71 3.543 -2.526 9.035 1.00 0.32 H new ATOM 0 HB VAL B 71 1.861 -0.756 8.883 1.00 0.38 H new ATOM 0 HG11 VAL B 71 2.037 1.297 10.234 1.00 1.28 H new ATOM 0 HG12 VAL B 71 1.684 -0.135 11.230 1.00 1.28 H new ATOM 0 HG13 VAL B 71 3.329 0.542 11.197 1.00 1.28 H new ATOM 0 HG21 VAL B 71 3.326 1.090 8.157 1.00 1.35 H new ATOM 0 HG22 VAL B 71 4.696 0.320 8.992 1.00 1.35 H new ATOM 0 HG23 VAL B 71 3.923 -0.495 7.611 1.00 1.35 H new ATOM 2773 N LEU B 72 5.769 -1.970 9.989 1.00 0.27 N ATOM 2774 CA LEU B 72 7.085 -1.803 10.580 1.00 0.29 C ATOM 2775 C LEU B 72 7.983 -1.015 9.637 1.00 0.31 C ATOM 2776 O LEU B 72 8.321 -1.483 8.551 1.00 0.44 O ATOM 2777 CB LEU B 72 7.711 -3.164 10.890 1.00 0.35 C ATOM 2778 CG LEU B 72 9.029 -3.108 11.663 1.00 0.44 C ATOM 2779 CD1 LEU B 72 8.784 -2.719 13.113 1.00 1.37 C ATOM 2780 CD2 LEU B 72 9.747 -4.442 11.574 1.00 1.05 C ATOM 0 H LEU B 72 5.780 -2.309 9.027 1.00 0.27 H new ATOM 0 HA LEU B 72 6.980 -1.251 11.514 1.00 0.29 H new ATOM 0 HB2 LEU B 72 6.996 -3.754 11.463 1.00 0.35 H new ATOM 0 HB3 LEU B 72 7.880 -3.692 9.951 1.00 0.35 H new ATOM 0 HG LEU B 72 9.665 -2.345 11.213 1.00 0.44 H new ATOM 0 HD11 LEU B 72 9.734 -2.685 13.646 1.00 1.37 H new ATOM 0 HD12 LEU B 72 8.311 -1.738 13.152 1.00 1.37 H new ATOM 0 HD13 LEU B 72 8.131 -3.455 13.582 1.00 1.37 H new ATOM 0 HD21 LEU B 72 10.684 -4.389 12.129 1.00 1.05 H new ATOM 0 HD22 LEU B 72 9.117 -5.223 12.000 1.00 1.05 H new ATOM 0 HD23 LEU B 72 9.956 -4.674 10.530 1.00 1.05 H new ATOM 2792 N SER B 73 8.358 0.180 10.050 1.00 0.27 N ATOM 2793 CA SER B 73 9.204 1.035 9.238 1.00 0.33 C ATOM 2794 C SER B 73 10.677 0.786 9.534 1.00 0.28 C ATOM 2795 O SER B 73 11.110 0.844 10.686 1.00 0.31 O ATOM 2796 CB SER B 73 8.859 2.500 9.491 1.00 0.48 C ATOM 2797 OG SER B 73 7.461 2.716 9.376 1.00 1.38 O ATOM 0 H SER B 73 8.089 0.583 10.948 1.00 0.27 H new ATOM 0 HA SER B 73 9.024 0.799 8.189 1.00 0.33 H new ATOM 0 HB2 SER B 73 9.196 2.791 10.486 1.00 0.48 H new ATOM 0 HB3 SER B 73 9.389 3.131 8.778 1.00 0.48 H new ATOM 0 HG SER B 73 7.261 3.661 9.543 1.00 1.38 H new ATOM 2803 N VAL B 74 11.436 0.489 8.493 1.00 0.29 N ATOM 2804 CA VAL B 74 12.862 0.249 8.633 1.00 0.28 C ATOM 2805 C VAL B 74 13.645 1.394 7.993 1.00 0.23 C ATOM 2806 O VAL B 74 13.323 1.844 6.892 1.00 0.24 O ATOM 2807 CB VAL B 74 13.281 -1.112 8.016 1.00 0.34 C ATOM 2808 CG1 VAL B 74 12.831 -1.225 6.570 1.00 0.35 C ATOM 2809 CG2 VAL B 74 14.785 -1.321 8.122 1.00 0.41 C ATOM 0 H VAL B 74 11.087 0.408 7.538 1.00 0.29 H new ATOM 0 HA VAL B 74 13.094 0.205 9.697 1.00 0.28 H new ATOM 0 HB VAL B 74 12.784 -1.896 8.587 1.00 0.34 H new ATOM 0 HG11 VAL B 74 13.140 -2.190 6.167 1.00 0.35 H new ATOM 0 HG12 VAL B 74 11.745 -1.141 6.519 1.00 0.35 H new ATOM 0 HG13 VAL B 74 13.284 -0.425 5.984 1.00 0.35 H new ATOM 0 HG21 VAL B 74 15.051 -2.282 7.682 1.00 0.41 H new ATOM 0 HG22 VAL B 74 15.302 -0.523 7.589 1.00 0.41 H new ATOM 0 HG23 VAL B 74 15.081 -1.308 9.171 1.00 0.41 H new ATOM 2819 N MET B 75 14.650 1.879 8.701 1.00 0.21 N ATOM 2820 CA MET B 75 15.472 2.977 8.218 1.00 0.20 C ATOM 2821 C MET B 75 16.812 2.456 7.718 1.00 0.20 C ATOM 2822 O MET B 75 17.633 1.968 8.500 1.00 0.24 O ATOM 2823 CB MET B 75 15.688 3.999 9.334 1.00 0.26 C ATOM 2824 CG MET B 75 16.494 5.214 8.908 1.00 0.29 C ATOM 2825 SD MET B 75 15.623 6.247 7.715 1.00 0.41 S ATOM 2826 CE MET B 75 16.434 7.818 7.993 1.00 0.41 C ATOM 0 H MET B 75 14.919 1.527 9.620 1.00 0.21 H new ATOM 0 HA MET B 75 14.956 3.461 7.389 1.00 0.20 H new ATOM 0 HB2 MET B 75 14.717 4.330 9.703 1.00 0.26 H new ATOM 0 HB3 MET B 75 16.196 3.512 10.166 1.00 0.26 H new ATOM 0 HG2 MET B 75 16.737 5.809 9.788 1.00 0.29 H new ATOM 0 HG3 MET B 75 17.438 4.884 8.475 1.00 0.29 H new ATOM 0 HE1 MET B 75 16.422 8.402 7.073 1.00 0.41 H new ATOM 0 HE2 MET B 75 15.909 8.365 8.777 1.00 0.41 H new ATOM 0 HE3 MET B 75 17.466 7.646 8.299 1.00 0.41 H new ATOM 2836 N PHE B 76 17.023 2.554 6.419 1.00 0.21 N ATOM 2837 CA PHE B 76 18.258 2.094 5.805 1.00 0.23 C ATOM 2838 C PHE B 76 18.609 2.979 4.615 1.00 0.22 C ATOM 2839 O PHE B 76 17.921 3.960 4.342 1.00 0.21 O ATOM 2840 CB PHE B 76 18.119 0.632 5.360 1.00 0.26 C ATOM 2841 CG PHE B 76 17.113 0.422 4.258 1.00 0.27 C ATOM 2842 CD1 PHE B 76 15.754 0.403 4.532 1.00 0.31 C ATOM 2843 CD2 PHE B 76 17.529 0.246 2.948 1.00 0.31 C ATOM 2844 CE1 PHE B 76 14.833 0.216 3.521 1.00 0.37 C ATOM 2845 CE2 PHE B 76 16.612 0.059 1.933 1.00 0.36 C ATOM 2846 CZ PHE B 76 15.262 0.042 2.220 1.00 0.38 C ATOM 0 H PHE B 76 16.350 2.951 5.763 1.00 0.21 H new ATOM 0 HA PHE B 76 19.061 2.157 6.539 1.00 0.23 H new ATOM 0 HB2 PHE B 76 19.091 0.271 5.025 1.00 0.26 H new ATOM 0 HB3 PHE B 76 17.833 0.026 6.220 1.00 0.26 H new ATOM 0 HD1 PHE B 76 15.412 0.536 5.548 1.00 0.31 H new ATOM 0 HD2 PHE B 76 18.584 0.255 2.718 1.00 0.31 H new ATOM 0 HE1 PHE B 76 13.777 0.206 3.747 1.00 0.37 H new ATOM 0 HE2 PHE B 76 16.950 -0.074 0.916 1.00 0.36 H new ATOM 0 HZ PHE B 76 14.543 -0.107 1.428 1.00 0.38 H new ATOM 2856 N ARG B 77 19.676 2.639 3.912 1.00 0.25 N ATOM 2857 CA ARG B 77 20.083 3.406 2.748 1.00 0.25 C ATOM 2858 C ARG B 77 19.879 2.586 1.483 1.00 0.23 C ATOM 2859 O ARG B 77 20.476 1.522 1.312 1.00 0.26 O ATOM 2860 CB ARG B 77 21.537 3.863 2.873 1.00 0.30 C ATOM 2861 CG ARG B 77 21.665 5.328 3.254 1.00 0.48 C ATOM 2862 CD ARG B 77 23.097 5.699 3.590 1.00 0.63 C ATOM 2863 NE ARG B 77 23.477 5.262 4.930 1.00 1.50 N ATOM 2864 CZ ARG B 77 24.559 5.699 5.573 1.00 1.87 C ATOM 2865 NH1 ARG B 77 25.358 6.598 5.008 1.00 1.59 N ATOM 2866 NH2 ARG B 77 24.833 5.247 6.789 1.00 2.97 N ATOM 0 H ARG B 77 20.273 1.840 4.126 1.00 0.25 H new ATOM 0 HA ARG B 77 19.460 4.298 2.688 1.00 0.25 H new ATOM 0 HB2 ARG B 77 22.041 3.253 3.622 1.00 0.30 H new ATOM 0 HB3 ARG B 77 22.049 3.693 1.926 1.00 0.30 H new ATOM 0 HG2 ARG B 77 21.312 5.950 2.431 1.00 0.48 H new ATOM 0 HG3 ARG B 77 21.024 5.538 4.110 1.00 0.48 H new ATOM 0 HD2 ARG B 77 23.769 5.250 2.858 1.00 0.63 H new ATOM 0 HD3 ARG B 77 23.219 6.779 3.513 1.00 0.63 H new ATOM 0 HE ARG B 77 22.880 4.583 5.401 1.00 1.50 H new ATOM 0 HH11 ARG B 77 25.144 6.957 4.078 1.00 1.59 H new ATOM 0 HH12 ARG B 77 26.185 6.929 5.505 1.00 1.59 H new ATOM 0 HH21 ARG B 77 24.216 4.566 7.231 1.00 2.97 H new ATOM 0 HH22 ARG B 77 25.661 5.581 7.283 1.00 2.97 H new ATOM 2880 N PHE B 78 19.022 3.084 0.608 1.00 0.24 N ATOM 2881 CA PHE B 78 18.710 2.405 -0.638 1.00 0.23 C ATOM 2882 C PHE B 78 19.478 3.039 -1.792 1.00 0.21 C ATOM 2883 O PHE B 78 19.737 4.243 -1.786 1.00 0.22 O ATOM 2884 CB PHE B 78 17.203 2.479 -0.898 1.00 0.27 C ATOM 2885 CG PHE B 78 16.707 1.512 -1.935 1.00 0.27 C ATOM 2886 CD1 PHE B 78 16.603 0.160 -1.647 1.00 0.34 C ATOM 2887 CD2 PHE B 78 16.337 1.955 -3.196 1.00 0.33 C ATOM 2888 CE1 PHE B 78 16.141 -0.731 -2.596 1.00 0.37 C ATOM 2889 CE2 PHE B 78 15.873 1.068 -4.148 1.00 0.37 C ATOM 2890 CZ PHE B 78 15.776 -0.277 -3.848 1.00 0.33 C ATOM 0 H PHE B 78 18.525 3.965 0.740 1.00 0.24 H new ATOM 0 HA PHE B 78 19.008 1.359 -0.560 1.00 0.23 H new ATOM 0 HB2 PHE B 78 16.675 2.293 0.037 1.00 0.27 H new ATOM 0 HB3 PHE B 78 16.949 3.492 -1.211 1.00 0.27 H new ATOM 0 HD1 PHE B 78 16.886 -0.201 -0.669 1.00 0.34 H new ATOM 0 HD2 PHE B 78 16.412 3.005 -3.436 1.00 0.33 H new ATOM 0 HE1 PHE B 78 16.065 -1.782 -2.359 1.00 0.37 H new ATOM 0 HE2 PHE B 78 15.586 1.426 -5.126 1.00 0.37 H new ATOM 0 HZ PHE B 78 15.415 -0.972 -4.591 1.00 0.33 H new ATOM 2900 N ARG B 79 19.851 2.226 -2.767 1.00 0.25 N ATOM 2901 CA ARG B 79 20.587 2.707 -3.925 1.00 0.26 C ATOM 2902 C ARG B 79 19.630 3.133 -5.029 1.00 0.26 C ATOM 2903 O ARG B 79 18.731 2.384 -5.409 1.00 0.36 O ATOM 2904 CB ARG B 79 21.520 1.618 -4.452 1.00 0.36 C ATOM 2905 CG ARG B 79 22.503 2.114 -5.499 1.00 0.33 C ATOM 2906 CD ARG B 79 23.300 0.972 -6.106 1.00 0.56 C ATOM 2907 NE ARG B 79 22.678 0.441 -7.319 1.00 1.04 N ATOM 2908 CZ ARG B 79 22.980 -0.743 -7.853 1.00 1.28 C ATOM 2909 NH1 ARG B 79 23.899 -1.520 -7.287 1.00 1.06 N ATOM 2910 NH2 ARG B 79 22.367 -1.148 -8.956 1.00 2.22 N ATOM 0 H ARG B 79 19.655 1.225 -2.779 1.00 0.25 H new ATOM 0 HA ARG B 79 21.179 3.569 -3.616 1.00 0.26 H new ATOM 0 HB2 ARG B 79 22.076 1.192 -3.617 1.00 0.36 H new ATOM 0 HB3 ARG B 79 20.921 0.814 -4.880 1.00 0.36 H new ATOM 0 HG2 ARG B 79 21.962 2.639 -6.286 1.00 0.33 H new ATOM 0 HG3 ARG B 79 23.185 2.834 -5.046 1.00 0.33 H new ATOM 0 HD2 ARG B 79 24.307 1.319 -6.339 1.00 0.56 H new ATOM 0 HD3 ARG B 79 23.400 0.172 -5.372 1.00 0.56 H new ATOM 0 HE ARG B 79 21.971 1.010 -7.784 1.00 1.04 H new ATOM 0 HH11 ARG B 79 24.377 -1.211 -6.440 1.00 1.06 H new ATOM 0 HH12 ARG B 79 24.126 -2.425 -7.700 1.00 1.06 H new ATOM 0 HH21 ARG B 79 21.664 -0.554 -9.396 1.00 2.22 H new ATOM 0 HH22 ARG B 79 22.598 -2.054 -9.365 1.00 2.22 H new ATOM 2924 N SER B 80 19.818 4.338 -5.533 1.00 0.25 N ATOM 2925 CA SER B 80 18.988 4.848 -6.605 1.00 0.33 C ATOM 2926 C SER B 80 19.620 4.516 -7.954 1.00 0.32 C ATOM 2927 O SER B 80 20.621 3.798 -8.017 1.00 0.32 O ATOM 2928 CB SER B 80 18.809 6.355 -6.450 1.00 0.46 C ATOM 2929 OG SER B 80 20.008 6.957 -6.008 1.00 1.06 O ATOM 0 H SER B 80 20.541 4.983 -5.215 1.00 0.25 H new ATOM 0 HA SER B 80 18.007 4.376 -6.557 1.00 0.33 H new ATOM 0 HB2 SER B 80 18.507 6.790 -7.403 1.00 0.46 H new ATOM 0 HB3 SER B 80 18.009 6.560 -5.738 1.00 0.46 H new ATOM 0 HG SER B 80 19.879 7.925 -5.931 1.00 1.06 H new ATOM 2935 N LYS B 81 19.047 5.045 -9.027 1.00 0.35 N ATOM 2936 CA LYS B 81 19.559 4.794 -10.366 1.00 0.37 C ATOM 2937 C LYS B 81 20.930 5.446 -10.570 1.00 0.40 C ATOM 2938 O LYS B 81 21.674 5.074 -11.473 1.00 0.48 O ATOM 2939 CB LYS B 81 18.566 5.303 -11.414 1.00 0.41 C ATOM 2940 CG LYS B 81 18.758 4.676 -12.785 1.00 0.45 C ATOM 2941 CD LYS B 81 18.695 3.158 -12.712 1.00 0.47 C ATOM 2942 CE LYS B 81 19.072 2.516 -14.037 1.00 0.67 C ATOM 2943 NZ LYS B 81 19.363 1.067 -13.886 1.00 1.69 N ATOM 0 H LYS B 81 18.227 5.651 -8.995 1.00 0.35 H new ATOM 0 HA LYS B 81 19.681 3.717 -10.484 1.00 0.37 H new ATOM 0 HB2 LYS B 81 17.552 5.102 -11.070 1.00 0.41 H new ATOM 0 HB3 LYS B 81 18.664 6.385 -11.501 1.00 0.41 H new ATOM 0 HG2 LYS B 81 17.989 5.042 -13.465 1.00 0.45 H new ATOM 0 HG3 LYS B 81 19.720 4.983 -13.196 1.00 0.45 H new ATOM 0 HD2 LYS B 81 19.367 2.803 -11.931 1.00 0.47 H new ATOM 0 HD3 LYS B 81 17.688 2.849 -12.431 1.00 0.47 H new ATOM 0 HE2 LYS B 81 18.259 2.651 -14.750 1.00 0.67 H new ATOM 0 HE3 LYS B 81 19.945 3.021 -14.450 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 19.681 0.680 -14.797 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 20.110 0.935 -13.174 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 18.502 0.570 -13.581 1.00 1.69 H new ATOM 2957 N ASN B 82 21.268 6.409 -9.717 1.00 0.39 N ATOM 2958 CA ASN B 82 22.556 7.097 -9.816 1.00 0.45 C ATOM 2959 C ASN B 82 23.629 6.341 -9.040 1.00 0.43 C ATOM 2960 O ASN B 82 24.757 6.816 -8.904 1.00 0.50 O ATOM 2961 CB ASN B 82 22.467 8.527 -9.273 1.00 0.53 C ATOM 2962 CG ASN B 82 21.381 9.358 -9.925 1.00 0.95 C ATOM 2963 OD1 ASN B 82 21.037 9.161 -11.092 1.00 1.75 O ATOM 2964 ND2 ASN B 82 20.841 10.304 -9.172 1.00 0.81 N ATOM 0 H ASN B 82 20.673 6.731 -8.953 1.00 0.39 H new ATOM 0 HA ASN B 82 22.822 7.134 -10.872 1.00 0.45 H new ATOM 0 HB2 ASN B 82 22.287 8.488 -8.199 1.00 0.53 H new ATOM 0 HB3 ASN B 82 23.427 9.022 -9.418 1.00 0.53 H new ATOM 0 HD21 ASN B 82 20.110 10.904 -9.554 1.00 0.81 H new ATOM 0 HD22 ASN B 82 21.156 10.432 -8.210 1.00 0.81 H new ATOM 2971 N GLN B 83 23.255 5.174 -8.511 1.00 0.37 N ATOM 2972 CA GLN B 83 24.163 4.326 -7.736 1.00 0.40 C ATOM 2973 C GLN B 83 24.559 4.993 -6.421 1.00 0.37 C ATOM 2974 O GLN B 83 25.545 4.609 -5.789 1.00 0.46 O ATOM 2975 CB GLN B 83 25.406 3.959 -8.556 1.00 0.53 C ATOM 2976 CG GLN B 83 25.242 2.695 -9.392 1.00 0.63 C ATOM 2977 CD GLN B 83 24.010 2.724 -10.278 1.00 0.90 C ATOM 2978 OE1 GLN B 83 22.937 2.255 -9.892 1.00 1.62 O ATOM 2979 NE2 GLN B 83 24.154 3.275 -11.471 1.00 0.87 N ATOM 0 H GLN B 83 22.315 4.791 -8.608 1.00 0.37 H new ATOM 0 HA GLN B 83 23.630 3.406 -7.496 1.00 0.40 H new ATOM 0 HB2 GLN B 83 25.652 4.790 -9.216 1.00 0.53 H new ATOM 0 HB3 GLN B 83 26.250 3.828 -7.879 1.00 0.53 H new ATOM 0 HG2 GLN B 83 26.127 2.561 -10.014 1.00 0.63 H new ATOM 0 HG3 GLN B 83 25.185 1.832 -8.728 1.00 0.63 H new ATOM 0 HE21 GLN B 83 25.059 3.652 -11.753 1.00 0.87 H new ATOM 0 HE22 GLN B 83 23.360 3.323 -12.110 1.00 0.87 H new ATOM 2988 N GLU B 84 23.777 5.984 -6.011 1.00 0.37 N ATOM 2989 CA GLU B 84 24.025 6.700 -4.767 1.00 0.38 C ATOM 2990 C GLU B 84 23.143 6.132 -3.662 1.00 0.31 C ATOM 2991 O GLU B 84 22.049 5.630 -3.930 1.00 0.42 O ATOM 2992 CB GLU B 84 23.754 8.198 -4.943 1.00 0.53 C ATOM 2993 CG GLU B 84 22.546 8.492 -5.816 1.00 1.22 C ATOM 2994 CD GLU B 84 22.004 9.896 -5.647 1.00 2.08 C ATOM 2995 OE1 GLU B 84 21.555 10.238 -4.533 1.00 2.45 O ATOM 2996 OE2 GLU B 84 22.005 10.661 -6.636 1.00 2.78 O ATOM 0 H GLU B 84 22.960 6.311 -6.527 1.00 0.37 H new ATOM 0 HA GLU B 84 25.072 6.572 -4.492 1.00 0.38 H new ATOM 0 HB2 GLU B 84 23.604 8.651 -3.963 1.00 0.53 H new ATOM 0 HB3 GLU B 84 24.633 8.670 -5.381 1.00 0.53 H new ATOM 0 HG2 GLU B 84 22.817 8.339 -6.861 1.00 1.22 H new ATOM 0 HG3 GLU B 84 21.757 7.776 -5.584 1.00 1.22 H new ATOM 3003 N TRP B 85 23.620 6.206 -2.430 1.00 0.32 N ATOM 3004 CA TRP B 85 22.871 5.690 -1.294 1.00 0.33 C ATOM 3005 C TRP B 85 22.069 6.799 -0.632 1.00 0.33 C ATOM 3006 O TRP B 85 22.635 7.782 -0.149 1.00 0.45 O ATOM 3007 CB TRP B 85 23.813 5.058 -0.265 1.00 0.41 C ATOM 3008 CG TRP B 85 24.735 4.025 -0.837 1.00 0.42 C ATOM 3009 CD1 TRP B 85 26.068 4.169 -1.079 1.00 0.66 C ATOM 3010 CD2 TRP B 85 24.396 2.694 -1.235 1.00 0.50 C ATOM 3011 NE1 TRP B 85 26.580 3.010 -1.602 1.00 0.63 N ATOM 3012 CE2 TRP B 85 25.576 2.088 -1.706 1.00 0.50 C ATOM 3013 CE3 TRP B 85 23.213 1.952 -1.234 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 25.605 0.780 -2.178 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 23.243 0.654 -1.703 1.00 1.10 C ATOM 3016 CH2 TRP B 85 24.432 0.078 -2.165 1.00 0.97 C ATOM 0 H TRP B 85 24.522 6.618 -2.190 1.00 0.32 H new ATOM 0 HA TRP B 85 22.187 4.927 -1.665 1.00 0.33 H new ATOM 0 HB2 TRP B 85 24.408 5.845 0.199 1.00 0.41 H new ATOM 0 HB3 TRP B 85 23.217 4.601 0.525 1.00 0.41 H new ATOM 0 HD1 TRP B 85 26.638 5.066 -0.887 1.00 0.66 H new ATOM 0 HE1 TRP B 85 27.553 2.860 -1.870 1.00 0.63 H new ATOM 0 HE3 TRP B 85 22.292 2.385 -0.873 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 26.520 0.336 -2.541 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 22.333 0.073 -1.714 1.00 1.10 H new ATOM 0 HH2 TRP B 85 24.423 -0.942 -2.519 1.00 0.97 H new ATOM 3027 N LEU B 86 20.754 6.643 -0.612 1.00 0.28 N ATOM 3028 CA LEU B 86 19.883 7.629 0.003 1.00 0.29 C ATOM 3029 C LEU B 86 19.114 7.007 1.161 1.00 0.26 C ATOM 3030 O LEU B 86 18.751 5.831 1.111 1.00 0.28 O ATOM 3031 CB LEU B 86 18.917 8.224 -1.029 1.00 0.34 C ATOM 3032 CG LEU B 86 18.172 7.212 -1.905 1.00 0.42 C ATOM 3033 CD1 LEU B 86 16.838 6.834 -1.282 1.00 0.96 C ATOM 3034 CD2 LEU B 86 17.968 7.776 -3.300 1.00 1.03 C ATOM 0 H LEU B 86 20.268 5.842 -1.015 1.00 0.28 H new ATOM 0 HA LEU B 86 20.502 8.438 0.392 1.00 0.29 H new ATOM 0 HB2 LEU B 86 18.181 8.831 -0.502 1.00 0.34 H new ATOM 0 HB3 LEU B 86 19.478 8.895 -1.679 1.00 0.34 H new ATOM 0 HG LEU B 86 18.778 6.309 -1.978 1.00 0.42 H new ATOM 0 HD11 LEU B 86 16.328 6.115 -1.923 1.00 0.96 H new ATOM 0 HD12 LEU B 86 17.007 6.390 -0.301 1.00 0.96 H new ATOM 0 HD13 LEU B 86 16.221 7.726 -1.175 1.00 0.96 H new ATOM 0 HD21 LEU B 86 17.437 7.047 -3.913 1.00 1.03 H new ATOM 0 HD22 LEU B 86 17.383 8.694 -3.239 1.00 1.03 H new ATOM 0 HD23 LEU B 86 18.937 7.992 -3.750 1.00 1.03 H new ATOM 3046 N TRP B 87 18.896 7.785 2.211 1.00 0.28 N ATOM 3047 CA TRP B 87 18.158 7.305 3.370 1.00 0.29 C ATOM 3048 C TRP B 87 16.717 7.005 2.980 1.00 0.29 C ATOM 3049 O TRP B 87 15.975 7.898 2.563 1.00 0.39 O ATOM 3050 CB TRP B 87 18.201 8.333 4.503 1.00 0.33 C ATOM 3051 CG TRP B 87 19.535 8.416 5.183 1.00 0.38 C ATOM 3052 CD1 TRP B 87 20.532 9.317 4.934 1.00 0.47 C ATOM 3053 CD2 TRP B 87 20.018 7.562 6.227 1.00 0.40 C ATOM 3054 NE1 TRP B 87 21.604 9.074 5.758 1.00 0.53 N ATOM 3055 CE2 TRP B 87 21.311 8.003 6.563 1.00 0.48 C ATOM 3056 CE3 TRP B 87 19.479 6.468 6.911 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 22.074 7.386 7.553 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 20.236 5.858 7.893 1.00 0.50 C ATOM 3059 CH2 TRP B 87 21.520 6.318 8.206 1.00 0.53 C ATOM 0 H TRP B 87 19.219 8.750 2.284 1.00 0.28 H new ATOM 0 HA TRP B 87 18.627 6.388 3.726 1.00 0.29 H new ATOM 0 HB2 TRP B 87 17.944 9.314 4.103 1.00 0.33 H new ATOM 0 HB3 TRP B 87 17.440 8.080 5.242 1.00 0.33 H new ATOM 0 HD1 TRP B 87 20.484 10.105 4.197 1.00 0.47 H new ATOM 0 HE1 TRP B 87 22.476 9.604 5.769 1.00 0.53 H new ATOM 0 HE3 TRP B 87 18.489 6.106 6.676 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 23.066 7.738 7.796 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 19.830 5.012 8.428 1.00 0.50 H new ATOM 0 HH2 TRP B 87 22.086 5.820 8.979 1.00 0.53 H new ATOM 3070 N MET B 88 16.334 5.748 3.106 1.00 0.31 N ATOM 3071 CA MET B 88 14.999 5.313 2.748 1.00 0.39 C ATOM 3072 C MET B 88 14.317 4.627 3.923 1.00 0.37 C ATOM 3073 O MET B 88 14.834 3.655 4.475 1.00 0.40 O ATOM 3074 CB MET B 88 15.068 4.354 1.557 1.00 0.52 C ATOM 3075 CG MET B 88 13.713 3.821 1.118 1.00 0.73 C ATOM 3076 SD MET B 88 12.794 5.004 0.115 1.00 1.53 S ATOM 3077 CE MET B 88 13.721 4.946 -1.415 1.00 0.91 C ATOM 0 H MET B 88 16.937 5.004 3.458 1.00 0.31 H new ATOM 0 HA MET B 88 14.413 6.191 2.476 1.00 0.39 H new ATOM 0 HB2 MET B 88 15.536 4.867 0.717 1.00 0.52 H new ATOM 0 HB3 MET B 88 15.712 3.514 1.816 1.00 0.52 H new ATOM 0 HG2 MET B 88 13.855 2.902 0.550 1.00 0.73 H new ATOM 0 HG3 MET B 88 13.125 3.563 1.999 1.00 0.73 H new ATOM 0 HE1 MET B 88 14.026 5.955 -1.694 1.00 0.91 H new ATOM 0 HE2 MET B 88 14.606 4.324 -1.281 1.00 0.91 H new ATOM 0 HE3 MET B 88 13.097 4.524 -2.203 1.00 0.91 H new ATOM 3087 N ARG B 89 13.170 5.154 4.311 1.00 0.36 N ATOM 3088 CA ARG B 89 12.393 4.579 5.391 1.00 0.37 C ATOM 3089 C ARG B 89 11.288 3.721 4.795 1.00 0.36 C ATOM 3090 O ARG B 89 10.258 4.235 4.353 1.00 0.42 O ATOM 3091 CB ARG B 89 11.795 5.675 6.275 1.00 0.44 C ATOM 3092 CG ARG B 89 11.005 5.138 7.458 1.00 0.58 C ATOM 3093 CD ARG B 89 9.869 6.074 7.837 1.00 0.97 C ATOM 3094 NE ARG B 89 8.908 6.241 6.745 1.00 2.01 N ATOM 3095 CZ ARG B 89 7.755 6.900 6.861 1.00 2.63 C ATOM 3096 NH1 ARG B 89 7.389 7.405 8.029 1.00 2.41 N ATOM 3097 NH2 ARG B 89 6.961 7.039 5.809 1.00 3.80 N ATOM 0 H ARG B 89 12.755 5.985 3.890 1.00 0.36 H new ATOM 0 HA ARG B 89 13.043 3.966 6.016 1.00 0.37 H new ATOM 0 HB2 ARG B 89 12.599 6.312 6.644 1.00 0.44 H new ATOM 0 HB3 ARG B 89 11.143 6.304 5.669 1.00 0.44 H new ATOM 0 HG2 ARG B 89 10.602 4.155 7.213 1.00 0.58 H new ATOM 0 HG3 ARG B 89 11.670 5.006 8.312 1.00 0.58 H new ATOM 0 HD2 ARG B 89 9.355 5.683 8.715 1.00 0.97 H new ATOM 0 HD3 ARG B 89 10.277 7.046 8.113 1.00 0.97 H new ATOM 0 HE ARG B 89 9.135 5.828 5.840 1.00 2.01 H new ATOM 0 HH11 ARG B 89 7.990 7.291 8.845 1.00 2.41 H new ATOM 0 HH12 ARG B 89 6.506 7.908 8.113 1.00 2.41 H new ATOM 0 HH21 ARG B 89 7.232 6.642 4.910 1.00 3.80 H new ATOM 0 HH22 ARG B 89 6.079 7.543 5.899 1.00 3.80 H new ATOM 3111 N THR B 90 11.519 2.424 4.756 1.00 0.33 N ATOM 3112 CA THR B 90 10.558 1.499 4.190 1.00 0.34 C ATOM 3113 C THR B 90 9.612 0.949 5.249 1.00 0.31 C ATOM 3114 O THR B 90 10.017 0.199 6.137 1.00 0.34 O ATOM 3115 CB THR B 90 11.274 0.331 3.488 1.00 0.38 C ATOM 3116 OG1 THR B 90 11.999 0.825 2.356 1.00 0.43 O ATOM 3117 CG2 THR B 90 10.287 -0.735 3.035 1.00 0.43 C ATOM 0 H THR B 90 12.368 1.985 5.112 1.00 0.33 H new ATOM 0 HA THR B 90 9.971 2.057 3.460 1.00 0.34 H new ATOM 0 HB THR B 90 11.960 -0.124 4.202 1.00 0.38 H new ATOM 0 HG1 THR B 90 12.945 0.582 2.442 1.00 0.43 H new ATOM 0 HG21 THR B 90 10.826 -1.545 2.543 1.00 0.43 H new ATOM 0 HG22 THR B 90 9.753 -1.128 3.900 1.00 0.43 H new ATOM 0 HG23 THR B 90 9.574 -0.297 2.336 1.00 0.43 H new ATOM 3125 N SER B 91 8.357 1.347 5.166 1.00 0.28 N ATOM 3126 CA SER B 91 7.351 0.864 6.087 1.00 0.27 C ATOM 3127 C SER B 91 6.756 -0.428 5.536 1.00 0.23 C ATOM 3128 O SER B 91 5.964 -0.408 4.595 1.00 0.28 O ATOM 3129 CB SER B 91 6.269 1.923 6.291 1.00 0.36 C ATOM 3130 OG SER B 91 6.838 3.153 6.715 1.00 0.97 O ATOM 0 H SER B 91 8.011 2.005 4.468 1.00 0.28 H new ATOM 0 HA SER B 91 7.804 0.662 7.058 1.00 0.27 H new ATOM 0 HB2 SER B 91 5.721 2.073 5.361 1.00 0.36 H new ATOM 0 HB3 SER B 91 5.550 1.576 7.033 1.00 0.36 H new ATOM 0 HG SER B 91 7.090 3.088 7.660 1.00 0.97 H new ATOM 3136 N SER B 92 7.174 -1.548 6.101 1.00 0.23 N ATOM 3137 CA SER B 92 6.704 -2.849 5.656 1.00 0.28 C ATOM 3138 C SER B 92 5.389 -3.218 6.335 1.00 0.26 C ATOM 3139 O SER B 92 5.175 -2.903 7.504 1.00 0.36 O ATOM 3140 CB SER B 92 7.769 -3.907 5.944 1.00 0.36 C ATOM 3141 OG SER B 92 9.052 -3.460 5.528 1.00 1.27 O ATOM 0 H SER B 92 7.841 -1.582 6.872 1.00 0.23 H new ATOM 0 HA SER B 92 6.523 -2.805 4.582 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.786 -4.131 7.011 1.00 0.36 H new ATOM 0 HB3 SER B 92 7.517 -4.833 5.427 1.00 0.36 H new ATOM 0 HG SER B 92 9.585 -4.227 5.230 1.00 1.27 H new ATOM 3147 N PHE B 93 4.509 -3.870 5.592 1.00 0.25 N ATOM 3148 CA PHE B 93 3.220 -4.286 6.118 1.00 0.27 C ATOM 3149 C PHE B 93 2.902 -5.701 5.643 1.00 0.25 C ATOM 3150 O PHE B 93 3.051 -6.013 4.459 1.00 0.25 O ATOM 3151 CB PHE B 93 2.127 -3.313 5.664 1.00 0.33 C ATOM 3152 CG PHE B 93 0.842 -3.432 6.440 1.00 0.37 C ATOM 3153 CD1 PHE B 93 -0.149 -4.314 6.039 1.00 0.35 C ATOM 3154 CD2 PHE B 93 0.624 -2.659 7.570 1.00 0.47 C ATOM 3155 CE1 PHE B 93 -1.331 -4.421 6.748 1.00 0.41 C ATOM 3156 CE2 PHE B 93 -0.555 -2.763 8.283 1.00 0.54 C ATOM 3157 CZ PHE B 93 -1.534 -3.645 7.872 1.00 0.50 C ATOM 0 H PHE B 93 4.666 -4.124 4.617 1.00 0.25 H new ATOM 0 HA PHE B 93 3.259 -4.279 7.207 1.00 0.27 H new ATOM 0 HB2 PHE B 93 2.502 -2.293 5.755 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.919 -3.483 4.608 1.00 0.33 H new ATOM 0 HD1 PHE B 93 0.004 -4.925 5.162 1.00 0.35 H new ATOM 0 HD2 PHE B 93 1.386 -1.967 7.897 1.00 0.47 H new ATOM 0 HE1 PHE B 93 -2.095 -5.111 6.423 1.00 0.41 H new ATOM 0 HE2 PHE B 93 -0.710 -2.154 9.162 1.00 0.54 H new ATOM 0 HZ PHE B 93 -2.456 -3.728 8.428 1.00 0.50 H new ATOM 3167 N THR B 94 2.485 -6.554 6.567 1.00 0.30 N ATOM 3168 CA THR B 94 2.151 -7.933 6.245 1.00 0.31 C ATOM 3169 C THR B 94 0.792 -8.021 5.558 1.00 0.33 C ATOM 3170 O THR B 94 -0.216 -7.569 6.097 1.00 0.37 O ATOM 3171 CB THR B 94 2.136 -8.794 7.517 1.00 0.38 C ATOM 3172 OG1 THR B 94 2.609 -8.016 8.631 1.00 0.59 O ATOM 3173 CG2 THR B 94 3.006 -10.030 7.343 1.00 0.37 C ATOM 0 H THR B 94 2.369 -6.313 7.551 1.00 0.30 H new ATOM 0 HA THR B 94 2.915 -8.308 5.564 1.00 0.31 H new ATOM 0 HB THR B 94 1.113 -9.119 7.706 1.00 0.38 H new ATOM 0 HG1 THR B 94 3.423 -8.424 8.993 1.00 0.59 H new ATOM 0 HG21 THR B 94 2.980 -10.625 8.256 1.00 0.37 H new ATOM 0 HG22 THR B 94 2.630 -10.626 6.511 1.00 0.37 H new ATOM 0 HG23 THR B 94 4.032 -9.726 7.137 1.00 0.37 H new ATOM 3181 N PHE B 95 0.777 -8.592 4.362 1.00 0.35 N ATOM 3182 CA PHE B 95 -0.453 -8.736 3.603 1.00 0.41 C ATOM 3183 C PHE B 95 -0.995 -10.157 3.719 1.00 0.45 C ATOM 3184 O PHE B 95 -0.514 -11.074 3.045 1.00 0.49 O ATOM 3185 CB PHE B 95 -0.202 -8.386 2.133 1.00 0.48 C ATOM 3186 CG PHE B 95 -1.453 -8.189 1.326 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -2.080 -9.265 0.717 1.00 0.91 C ATOM 3188 CD2 PHE B 95 -1.994 -6.924 1.167 1.00 0.95 C ATOM 3189 CE1 PHE B 95 -3.225 -9.083 -0.033 1.00 0.98 C ATOM 3190 CE2 PHE B 95 -3.139 -6.737 0.419 1.00 1.03 C ATOM 3191 CZ PHE B 95 -3.755 -7.817 -0.181 1.00 0.78 C ATOM 0 H PHE B 95 1.606 -8.963 3.897 1.00 0.35 H new ATOM 0 HA PHE B 95 -1.196 -8.051 4.012 1.00 0.41 H new ATOM 0 HB2 PHE B 95 0.396 -7.476 2.085 1.00 0.48 H new ATOM 0 HB3 PHE B 95 0.390 -9.180 1.678 1.00 0.48 H new ATOM 0 HD1 PHE B 95 -1.668 -10.257 0.830 1.00 0.91 H new ATOM 0 HD2 PHE B 95 -1.515 -6.075 1.633 1.00 0.95 H new ATOM 0 HE1 PHE B 95 -3.705 -9.929 -0.503 1.00 0.98 H new ATOM 0 HE2 PHE B 95 -3.553 -5.746 0.303 1.00 1.03 H new ATOM 0 HZ PHE B 95 -4.651 -7.671 -0.766 1.00 0.78 H new ATOM 3201 N GLN B 96 -1.986 -10.338 4.579 1.00 0.51 N ATOM 3202 CA GLN B 96 -2.596 -11.645 4.776 1.00 0.56 C ATOM 3203 C GLN B 96 -4.009 -11.664 4.224 1.00 0.63 C ATOM 3204 O GLN B 96 -4.560 -10.626 3.858 1.00 0.71 O ATOM 3205 CB GLN B 96 -2.656 -12.013 6.259 1.00 0.60 C ATOM 3206 CG GLN B 96 -1.312 -12.070 6.951 1.00 0.74 C ATOM 3207 CD GLN B 96 -1.237 -11.101 8.107 1.00 0.88 C ATOM 3208 OE1 GLN B 96 -0.627 -10.041 8.004 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -1.882 -11.448 9.208 1.00 0.91 N ATOM 0 H GLN B 96 -2.386 -9.595 5.153 1.00 0.51 H new ATOM 0 HA GLN B 96 -1.976 -12.369 4.247 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -3.284 -11.287 6.774 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -3.142 -12.983 6.359 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -1.132 -13.082 7.313 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -0.523 -11.842 6.234 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -2.376 -12.339 9.250 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -1.885 -10.824 10.015 1.00 0.91 H new ATOM 3218 N ASN B 97 -4.586 -12.850 4.171 1.00 0.73 N ATOM 3219 CA ASN B 97 -5.944 -13.022 3.700 1.00 0.91 C ATOM 3220 C ASN B 97 -6.840 -13.355 4.883 1.00 0.97 C ATOM 3221 O ASN B 97 -6.455 -14.135 5.757 1.00 0.97 O ATOM 3222 CB ASN B 97 -6.013 -14.124 2.642 1.00 1.06 C ATOM 3223 CG ASN B 97 -5.765 -13.596 1.243 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -6.700 -13.368 0.475 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -4.505 -13.397 0.904 1.00 1.65 N ATOM 0 H ASN B 97 -4.127 -13.717 4.452 1.00 0.73 H new ATOM 0 HA ASN B 97 -6.286 -12.097 3.236 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -5.276 -14.893 2.873 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -6.993 -14.600 2.680 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -4.277 -13.041 -0.024 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -3.760 -13.599 1.570 1.00 1.65 H new ATOM 3232 N PRO B 98 -8.040 -12.767 4.937 1.00 1.12 N ATOM 3233 CA PRO B 98 -8.992 -12.987 6.034 1.00 1.28 C ATOM 3234 C PRO B 98 -9.704 -14.335 5.942 1.00 1.35 C ATOM 3235 O PRO B 98 -10.893 -14.441 6.242 1.00 1.41 O ATOM 3236 CB PRO B 98 -9.989 -11.848 5.844 1.00 1.50 C ATOM 3237 CG PRO B 98 -9.990 -11.609 4.376 1.00 1.51 C ATOM 3238 CD PRO B 98 -8.574 -11.837 3.924 1.00 1.26 C ATOM 0 HA PRO B 98 -8.500 -13.001 7.006 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -10.981 -12.122 6.204 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -9.685 -10.957 6.393 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -10.676 -12.288 3.870 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -10.316 -10.595 4.145 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -8.536 -12.267 2.923 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -8.007 -10.907 3.893 1.00 1.26 H new ATOM 3246 N TYR B 99 -8.973 -15.359 5.533 1.00 1.39 N ATOM 3247 CA TYR B 99 -9.532 -16.695 5.401 1.00 1.52 C ATOM 3248 C TYR B 99 -8.795 -17.661 6.316 1.00 1.54 C ATOM 3249 O TYR B 99 -9.395 -18.284 7.188 1.00 1.80 O ATOM 3250 CB TYR B 99 -9.460 -17.160 3.944 1.00 1.68 C ATOM 3251 CG TYR B 99 -10.080 -16.173 2.979 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -11.459 -16.017 2.904 1.00 2.26 C ATOM 3253 CD2 TYR B 99 -9.285 -15.389 2.152 1.00 1.83 C ATOM 3254 CE1 TYR B 99 -12.027 -15.107 2.032 1.00 2.61 C ATOM 3255 CE2 TYR B 99 -9.845 -14.476 1.281 1.00 2.10 C ATOM 3256 CZ TYR B 99 -11.215 -14.341 1.223 1.00 2.50 C ATOM 3257 OH TYR B 99 -11.772 -13.432 0.354 1.00 2.90 O ATOM 0 H TYR B 99 -7.986 -15.290 5.285 1.00 1.39 H new ATOM 0 HA TYR B 99 -10.581 -16.672 5.698 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -8.417 -17.321 3.671 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -9.967 -18.120 3.849 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -12.097 -16.616 3.537 1.00 2.26 H new ATOM 0 HD2 TYR B 99 -8.211 -15.496 2.191 1.00 1.83 H new ATOM 0 HE1 TYR B 99 -13.100 -14.997 1.985 1.00 2.61 H new ATOM 0 HE2 TYR B 99 -9.213 -13.871 0.648 1.00 2.10 H new ATOM 0 HH TYR B 99 -11.386 -13.554 -0.539 1.00 2.90 H new ATOM 3267 N SER B 100 -7.491 -17.779 6.122 1.00 1.37 N ATOM 3268 CA SER B 100 -6.677 -18.656 6.945 1.00 1.42 C ATOM 3269 C SER B 100 -5.420 -17.929 7.415 1.00 1.24 C ATOM 3270 O SER B 100 -4.454 -18.556 7.858 1.00 1.29 O ATOM 3271 CB SER B 100 -6.306 -19.912 6.160 1.00 1.52 C ATOM 3272 OG SER B 100 -7.450 -20.473 5.536 1.00 2.27 O ATOM 0 H SER B 100 -6.974 -17.277 5.400 1.00 1.37 H new ATOM 0 HA SER B 100 -7.252 -18.949 7.823 1.00 1.42 H new ATOM 0 HB2 SER B 100 -5.558 -19.667 5.406 1.00 1.52 H new ATOM 0 HB3 SER B 100 -5.855 -20.645 6.829 1.00 1.52 H new ATOM 0 HG SER B 100 -7.190 -21.276 5.037 1.00 2.27 H new ATOM 3278 N ASP B 101 -5.446 -16.599 7.294 1.00 1.08 N ATOM 3279 CA ASP B 101 -4.333 -15.743 7.707 1.00 0.96 C ATOM 3280 C ASP B 101 -3.070 -16.068 6.909 1.00 0.87 C ATOM 3281 O ASP B 101 -1.959 -16.068 7.439 1.00 0.91 O ATOM 3282 CB ASP B 101 -4.081 -15.883 9.216 1.00 1.15 C ATOM 3283 CG ASP B 101 -3.182 -14.794 9.770 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -3.535 -13.601 9.652 1.00 2.06 O ATOM 3285 OD2 ASP B 101 -2.125 -15.131 10.338 1.00 1.27 O ATOM 0 H ASP B 101 -6.239 -16.087 6.907 1.00 1.08 H new ATOM 0 HA ASP B 101 -4.601 -14.707 7.499 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -5.036 -15.861 9.742 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -3.630 -16.855 9.415 1.00 1.15 H new ATOM 3290 N GLU B 102 -3.251 -16.353 5.627 1.00 0.88 N ATOM 3291 CA GLU B 102 -2.131 -16.673 4.750 1.00 0.85 C ATOM 3292 C GLU B 102 -1.520 -15.390 4.195 1.00 0.72 C ATOM 3293 O GLU B 102 -2.237 -14.517 3.704 1.00 0.72 O ATOM 3294 CB GLU B 102 -2.573 -17.576 3.592 1.00 1.03 C ATOM 3295 CG GLU B 102 -3.864 -18.340 3.849 1.00 1.30 C ATOM 3296 CD GLU B 102 -5.098 -17.551 3.449 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -5.490 -17.615 2.264 1.00 2.51 O ATOM 3298 OE2 GLU B 102 -5.675 -16.861 4.317 1.00 1.82 O ATOM 0 H GLU B 102 -4.163 -16.369 5.170 1.00 0.88 H new ATOM 0 HA GLU B 102 -1.386 -17.209 5.338 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -2.698 -16.965 2.698 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -1.778 -18.291 3.381 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -3.843 -19.279 3.296 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -3.927 -18.594 4.907 1.00 1.30 H new ATOM 3305 N ILE B 103 -0.201 -15.279 4.278 1.00 0.68 N ATOM 3306 CA ILE B 103 0.499 -14.099 3.787 1.00 0.59 C ATOM 3307 C ILE B 103 0.821 -14.245 2.305 1.00 0.61 C ATOM 3308 O ILE B 103 1.434 -15.230 1.889 1.00 0.74 O ATOM 3309 CB ILE B 103 1.812 -13.852 4.562 1.00 0.62 C ATOM 3310 CG1 ILE B 103 1.570 -13.957 6.070 1.00 0.67 C ATOM 3311 CG2 ILE B 103 2.389 -12.485 4.208 1.00 0.56 C ATOM 3312 CD1 ILE B 103 2.827 -13.812 6.899 1.00 0.99 C ATOM 0 H ILE B 103 0.407 -15.992 4.681 1.00 0.68 H new ATOM 0 HA ILE B 103 -0.164 -13.248 3.940 1.00 0.59 H new ATOM 0 HB ILE B 103 2.533 -14.617 4.274 1.00 0.62 H new ATOM 0 HG12 ILE B 103 0.857 -13.188 6.369 1.00 0.67 H new ATOM 0 HG13 ILE B 103 1.110 -14.921 6.289 1.00 0.67 H new ATOM 0 HG21 ILE B 103 3.314 -12.326 4.762 1.00 0.56 H new ATOM 0 HG22 ILE B 103 2.595 -12.443 3.138 1.00 0.56 H new ATOM 0 HG23 ILE B 103 1.671 -11.708 4.470 1.00 0.56 H new ATOM 0 HD11 ILE B 103 2.577 -13.897 7.957 1.00 0.99 H new ATOM 0 HD12 ILE B 103 3.534 -14.597 6.629 1.00 0.99 H new ATOM 0 HD13 ILE B 103 3.277 -12.837 6.710 1.00 0.99 H new ATOM 3324 N GLU B 104 0.401 -13.273 1.510 1.00 0.54 N ATOM 3325 CA GLU B 104 0.658 -13.301 0.076 1.00 0.59 C ATOM 3326 C GLU B 104 1.993 -12.641 -0.238 1.00 0.51 C ATOM 3327 O GLU B 104 2.829 -13.204 -0.950 1.00 0.56 O ATOM 3328 CB GLU B 104 -0.466 -12.599 -0.687 1.00 0.69 C ATOM 3329 CG GLU B 104 -1.754 -13.400 -0.740 1.00 0.85 C ATOM 3330 CD GLU B 104 -2.691 -12.924 -1.829 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -2.434 -13.219 -3.011 1.00 1.33 O ATOM 3332 OE2 GLU B 104 -3.701 -12.262 -1.509 1.00 1.44 O ATOM 0 H GLU B 104 -0.118 -12.456 1.831 1.00 0.54 H new ATOM 0 HA GLU B 104 0.697 -14.343 -0.243 1.00 0.59 H new ATOM 0 HB2 GLU B 104 -0.666 -11.635 -0.218 1.00 0.69 H new ATOM 0 HB3 GLU B 104 -0.132 -12.396 -1.704 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -1.517 -14.451 -0.903 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -2.259 -13.333 0.224 1.00 0.85 H new ATOM 3339 N TYR B 105 2.196 -11.453 0.313 1.00 0.42 N ATOM 3340 CA TYR B 105 3.421 -10.703 0.092 1.00 0.40 C ATOM 3341 C TYR B 105 3.611 -9.660 1.186 1.00 0.33 C ATOM 3342 O TYR B 105 2.832 -9.597 2.140 1.00 0.37 O ATOM 3343 CB TYR B 105 3.404 -10.032 -1.291 1.00 0.46 C ATOM 3344 CG TYR B 105 2.110 -9.319 -1.627 1.00 0.47 C ATOM 3345 CD1 TYR B 105 1.807 -8.089 -1.064 1.00 0.45 C ATOM 3346 CD2 TYR B 105 1.198 -9.878 -2.514 1.00 0.59 C ATOM 3347 CE1 TYR B 105 0.632 -7.435 -1.372 1.00 0.55 C ATOM 3348 CE2 TYR B 105 0.019 -9.229 -2.828 1.00 0.67 C ATOM 3349 CZ TYR B 105 -0.259 -8.008 -2.253 1.00 0.65 C ATOM 3350 OH TYR B 105 -1.432 -7.355 -2.561 1.00 0.77 O ATOM 0 H TYR B 105 1.522 -10.986 0.920 1.00 0.42 H new ATOM 0 HA TYR B 105 4.259 -11.399 0.126 1.00 0.40 H new ATOM 0 HB2 TYR B 105 4.223 -9.315 -1.343 1.00 0.46 H new ATOM 0 HB3 TYR B 105 3.595 -10.790 -2.051 1.00 0.46 H new ATOM 0 HD1 TYR B 105 2.502 -7.635 -0.373 1.00 0.45 H new ATOM 0 HD2 TYR B 105 1.414 -10.835 -2.965 1.00 0.59 H new ATOM 0 HE1 TYR B 105 0.411 -6.477 -0.924 1.00 0.55 H new ATOM 0 HE2 TYR B 105 -0.680 -9.676 -3.520 1.00 0.67 H new ATOM 0 HH TYR B 105 -2.072 -7.469 -1.828 1.00 0.77 H new ATOM 3360 N ILE B 106 4.646 -8.846 1.041 1.00 0.26 N ATOM 3361 CA ILE B 106 4.948 -7.806 2.007 1.00 0.25 C ATOM 3362 C ILE B 106 4.925 -6.437 1.342 1.00 0.26 C ATOM 3363 O ILE B 106 5.660 -6.183 0.379 1.00 0.28 O ATOM 3364 CB ILE B 106 6.331 -8.017 2.665 1.00 0.26 C ATOM 3365 CG1 ILE B 106 6.407 -9.393 3.334 1.00 0.31 C ATOM 3366 CG2 ILE B 106 6.611 -6.914 3.679 1.00 0.30 C ATOM 3367 CD1 ILE B 106 7.783 -9.732 3.866 1.00 0.36 C ATOM 0 H ILE B 106 5.295 -8.889 0.255 1.00 0.26 H new ATOM 0 HA ILE B 106 4.181 -7.859 2.780 1.00 0.25 H new ATOM 0 HB ILE B 106 7.092 -7.973 1.886 1.00 0.26 H new ATOM 0 HG12 ILE B 106 5.690 -9.429 4.154 1.00 0.31 H new ATOM 0 HG13 ILE B 106 6.107 -10.155 2.615 1.00 0.31 H new ATOM 0 HG21 ILE B 106 7.588 -7.077 4.133 1.00 0.30 H new ATOM 0 HG22 ILE B 106 6.601 -5.947 3.177 1.00 0.30 H new ATOM 0 HG23 ILE B 106 5.844 -6.928 4.453 1.00 0.30 H new ATOM 0 HD11 ILE B 106 7.762 -10.720 4.326 1.00 0.36 H new ATOM 0 HD12 ILE B 106 8.501 -9.729 3.046 1.00 0.36 H new ATOM 0 HD13 ILE B 106 8.078 -8.992 4.610 1.00 0.36 H new ATOM 3379 N ILE B 107 4.075 -5.565 1.852 1.00 0.29 N ATOM 3380 CA ILE B 107 3.962 -4.214 1.332 1.00 0.34 C ATOM 3381 C ILE B 107 5.158 -3.400 1.809 1.00 0.40 C ATOM 3382 O ILE B 107 5.603 -3.564 2.943 1.00 0.52 O ATOM 3383 CB ILE B 107 2.655 -3.539 1.803 1.00 0.44 C ATOM 3384 CG1 ILE B 107 1.488 -4.529 1.734 1.00 0.46 C ATOM 3385 CG2 ILE B 107 2.358 -2.308 0.961 1.00 0.53 C ATOM 3386 CD1 ILE B 107 0.233 -4.032 2.417 1.00 0.79 C ATOM 0 H ILE B 107 3.449 -5.770 2.631 1.00 0.29 H new ATOM 0 HA ILE B 107 3.943 -4.260 0.243 1.00 0.34 H new ATOM 0 HB ILE B 107 2.782 -3.225 2.839 1.00 0.44 H new ATOM 0 HG12 ILE B 107 1.263 -4.741 0.689 1.00 0.46 H new ATOM 0 HG13 ILE B 107 1.793 -5.470 2.192 1.00 0.46 H new ATOM 0 HG21 ILE B 107 1.434 -1.845 1.307 1.00 0.53 H new ATOM 0 HG22 ILE B 107 3.178 -1.596 1.056 1.00 0.53 H new ATOM 0 HG23 ILE B 107 2.249 -2.599 -0.084 1.00 0.53 H new ATOM 0 HD11 ILE B 107 -0.551 -4.784 2.329 1.00 0.79 H new ATOM 0 HD12 ILE B 107 0.441 -3.847 3.471 1.00 0.79 H new ATOM 0 HD13 ILE B 107 -0.096 -3.107 1.944 1.00 0.79 H new ATOM 3398 N CYS B 108 5.698 -2.553 0.948 1.00 0.39 N ATOM 3399 CA CYS B 108 6.844 -1.744 1.317 1.00 0.47 C ATOM 3400 C CYS B 108 6.634 -0.275 0.965 1.00 0.37 C ATOM 3401 O CYS B 108 6.734 0.123 -0.199 1.00 0.43 O ATOM 3402 CB CYS B 108 8.115 -2.278 0.645 1.00 0.61 C ATOM 3403 SG CYS B 108 8.011 -2.419 -1.155 1.00 1.55 S ATOM 0 H CYS B 108 5.363 -2.409 -0.005 1.00 0.39 H new ATOM 0 HA CYS B 108 6.960 -1.811 2.399 1.00 0.47 H new ATOM 0 HB2 CYS B 108 8.947 -1.621 0.898 1.00 0.61 H new ATOM 0 HB3 CYS B 108 8.346 -3.259 1.061 1.00 0.61 H new ATOM 0 HG CYS B 108 9.176 -2.743 -1.633 1.00 1.55 H new ATOM 3409 N THR B 109 6.308 0.516 1.975 1.00 0.32 N ATOM 3410 CA THR B 109 6.118 1.943 1.798 1.00 0.29 C ATOM 3411 C THR B 109 7.473 2.643 1.857 1.00 0.26 C ATOM 3412 O THR B 109 7.908 3.107 2.914 1.00 0.27 O ATOM 3413 CB THR B 109 5.177 2.518 2.876 1.00 0.39 C ATOM 3414 OG1 THR B 109 3.995 1.710 2.966 1.00 0.48 O ATOM 3415 CG2 THR B 109 4.791 3.957 2.560 1.00 0.49 C ATOM 0 H THR B 109 6.169 0.189 2.931 1.00 0.32 H new ATOM 0 HA THR B 109 5.656 2.115 0.826 1.00 0.29 H new ATOM 0 HB THR B 109 5.705 2.508 3.830 1.00 0.39 H new ATOM 0 HG1 THR B 109 3.226 2.278 3.182 1.00 0.48 H new ATOM 0 HG21 THR B 109 4.127 4.335 3.338 1.00 0.49 H new ATOM 0 HG22 THR B 109 5.689 4.574 2.518 1.00 0.49 H new ATOM 0 HG23 THR B 109 4.280 3.994 1.598 1.00 0.49 H new ATOM 3423 N ASN B 110 8.150 2.678 0.720 1.00 0.35 N ATOM 3424 CA ASN B 110 9.464 3.291 0.623 1.00 0.40 C ATOM 3425 C ASN B 110 9.355 4.808 0.630 1.00 0.45 C ATOM 3426 O ASN B 110 8.914 5.414 -0.347 1.00 0.57 O ATOM 3427 CB ASN B 110 10.179 2.836 -0.654 1.00 0.53 C ATOM 3428 CG ASN B 110 10.831 1.471 -0.526 1.00 1.18 C ATOM 3429 OD1 ASN B 110 10.335 0.589 0.170 1.00 1.84 O ATOM 3430 ND2 ASN B 110 11.956 1.289 -1.203 1.00 1.84 N ATOM 0 H ASN B 110 7.806 2.285 -0.156 1.00 0.35 H new ATOM 0 HA ASN B 110 10.044 2.974 1.490 1.00 0.40 H new ATOM 0 HB2 ASN B 110 9.462 2.812 -1.474 1.00 0.53 H new ATOM 0 HB3 ASN B 110 10.940 3.571 -0.917 1.00 0.53 H new ATOM 0 HD21 ASN B 110 12.440 0.392 -1.156 1.00 1.84 H new ATOM 0 HD22 ASN B 110 12.338 2.046 -1.771 1.00 1.84 H new ATOM 3437 N THR B 111 9.746 5.414 1.738 1.00 0.39 N ATOM 3438 CA THR B 111 9.703 6.859 1.869 1.00 0.41 C ATOM 3439 C THR B 111 11.113 7.420 2.032 1.00 0.38 C ATOM 3440 O THR B 111 11.781 7.154 3.032 1.00 0.43 O ATOM 3441 CB THR B 111 8.842 7.278 3.073 1.00 0.45 C ATOM 3442 OG1 THR B 111 8.003 6.186 3.480 1.00 0.50 O ATOM 3443 CG2 THR B 111 7.978 8.478 2.720 1.00 0.52 C ATOM 0 H THR B 111 10.098 4.926 2.562 1.00 0.39 H new ATOM 0 HA THR B 111 9.256 7.263 0.961 1.00 0.41 H new ATOM 0 HB THR B 111 9.507 7.551 3.893 1.00 0.45 H new ATOM 0 HG1 THR B 111 8.549 5.498 3.915 1.00 0.50 H new ATOM 0 HG21 THR B 111 7.376 8.760 3.584 1.00 0.52 H new ATOM 0 HG22 THR B 111 8.616 9.314 2.434 1.00 0.52 H new ATOM 0 HG23 THR B 111 7.321 8.222 1.889 1.00 0.52 H new ATOM 3451 N ASN B 112 11.569 8.177 1.043 1.00 0.36 N ATOM 3452 CA ASN B 112 12.903 8.766 1.087 1.00 0.36 C ATOM 3453 C ASN B 112 12.978 9.848 2.157 1.00 0.34 C ATOM 3454 O ASN B 112 12.185 10.788 2.165 1.00 0.37 O ATOM 3455 CB ASN B 112 13.283 9.344 -0.280 1.00 0.45 C ATOM 3456 CG ASN B 112 14.503 10.250 -0.223 1.00 0.39 C ATOM 3457 OD1 ASN B 112 14.429 11.432 -0.553 1.00 0.71 O ATOM 3458 ND2 ASN B 112 15.633 9.705 0.197 1.00 0.42 N ATOM 0 H ASN B 112 11.037 8.398 0.201 1.00 0.36 H new ATOM 0 HA ASN B 112 13.613 7.979 1.340 1.00 0.36 H new ATOM 0 HB2 ASN B 112 13.477 8.526 -0.973 1.00 0.45 H new ATOM 0 HB3 ASN B 112 12.438 9.906 -0.678 1.00 0.45 H new ATOM 0 HD21 ASN B 112 16.481 10.269 0.255 1.00 0.42 H new ATOM 0 HD22 ASN B 112 15.657 8.720 0.463 1.00 0.42 H new ATOM 3465 N VAL B 113 13.930 9.697 3.064 1.00 0.36 N ATOM 3466 CA VAL B 113 14.114 10.650 4.143 1.00 0.44 C ATOM 3467 C VAL B 113 15.082 11.749 3.724 1.00 0.50 C ATOM 3468 O VAL B 113 14.789 12.935 3.862 1.00 0.78 O ATOM 3469 CB VAL B 113 14.635 9.956 5.417 1.00 0.52 C ATOM 3470 CG1 VAL B 113 14.760 10.947 6.563 1.00 0.98 C ATOM 3471 CG2 VAL B 113 13.723 8.797 5.799 1.00 0.83 C ATOM 0 H VAL B 113 14.589 8.919 3.073 1.00 0.36 H new ATOM 0 HA VAL B 113 13.142 11.092 4.363 1.00 0.44 H new ATOM 0 HB VAL B 113 15.629 9.559 5.210 1.00 0.52 H new ATOM 0 HG11 VAL B 113 15.129 10.433 7.450 1.00 0.98 H new ATOM 0 HG12 VAL B 113 15.457 11.738 6.286 1.00 0.98 H new ATOM 0 HG13 VAL B 113 13.784 11.382 6.776 1.00 0.98 H new ATOM 0 HG21 VAL B 113 14.103 8.316 6.700 1.00 0.83 H new ATOM 0 HG22 VAL B 113 12.717 9.172 5.985 1.00 0.83 H new ATOM 0 HG23 VAL B 113 13.696 8.072 4.985 1.00 0.83 H new ATOM 3481 N LYS B 114 16.229 11.355 3.193 1.00 0.66 N ATOM 3482 CA LYS B 114 17.226 12.318 2.750 1.00 0.80 C ATOM 3483 C LYS B 114 17.297 12.337 1.233 1.00 0.96 C ATOM 3484 O LYS B 114 17.799 11.353 0.653 1.00 1.54 O ATOM 3485 CB LYS B 114 18.604 11.992 3.329 1.00 1.37 C ATOM 3486 CG LYS B 114 19.643 13.069 3.051 1.00 1.56 C ATOM 3487 CD LYS B 114 20.971 12.478 2.605 1.00 2.38 C ATOM 3488 CE LYS B 114 21.161 12.589 1.097 1.00 2.81 C ATOM 3489 NZ LYS B 114 20.491 11.483 0.359 1.00 3.21 N ATOM 3490 OXT LYS B 114 16.852 13.332 0.629 1.00 0.67 O ATOM 0 H LYS B 114 16.492 10.379 3.058 1.00 0.66 H new ATOM 0 HA LYS B 114 16.927 13.302 3.111 1.00 0.80 H new ATOM 0 HB2 LYS B 114 18.514 11.853 4.406 1.00 1.37 H new ATOM 0 HB3 LYS B 114 18.951 11.046 2.913 1.00 1.37 H new ATOM 0 HG2 LYS B 114 19.269 13.743 2.280 1.00 1.56 H new ATOM 0 HG3 LYS B 114 19.796 13.666 3.950 1.00 1.56 H new ATOM 0 HD2 LYS B 114 21.787 12.992 3.113 1.00 2.38 H new ATOM 0 HD3 LYS B 114 21.021 11.430 2.902 1.00 2.38 H new ATOM 0 HE2 LYS B 114 20.765 13.544 0.753 1.00 2.81 H new ATOM 0 HE3 LYS B 114 22.226 12.584 0.866 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 20.365 11.756 -0.637 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 21.077 10.626 0.411 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 19.562 11.294 0.786 1.00 3.21 H new TER 3504 LYS B 114