USER MOD reduce.3.24.130724 H: found=0, std=0, add=1721, rem=0, adj=68 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: A 7 THR OG1 : rot -85:sc= 0.956 USER MOD Set 1.2: B 97 ASN : amide:sc= 0.672 K(o=1.6,f=-0.53) USER MOD Set 2.1: B 16 HIS : no HE2:sc= 2.01 K(o=4.9,f=-12!) USER MOD Set 2.2: B 92 SER OG : rot -93:sc= 1.37 USER MOD Set 2.3: B 108 CYS SG : rot 133:sc= 1.55 USER MOD Set 3.1: B 73 SER OG : rot 180:sc= 1.03 USER MOD Set 3.2: B 91 SER OG : rot -79:sc= 1.21 USER MOD Set 4.1: B 88 MET CE :methyl 131:sc= -0.0619 (180deg=-0.664) USER MOD Set 4.2: B 90 THR OG1 : rot -74:sc= 1.24 USER MOD Set 4.3: B 110 ASN : amide:sc= 0.872 K(o=2.1,f=-2.8) USER MOD Set 5.1: B 35 TYR OH : rot 72:sc= 2.43 USER MOD Set 5.2: B 83 GLN : amide:sc= 0.996 K(o=3.4,f=-0.16) USER MOD Set 6.1: B 8 GLN : amide:sc= 1.83 K(o=2.5,f=0.11) USER MOD Set 6.2: B 27 HIS : no HE2:sc= 0.701 K(o=2.5,f=-8.9!) USER MOD Set 7.1: A 70 GLN : amide:sc= 1.26 K(o=1.3,f=-0.43) USER MOD Set 7.2: A 109 SER OG : rot 121:sc= 0.0196 USER MOD Set 8.1: A 102 MET CE :methyl -158:sc= -0.295 (180deg=-1.09) USER MOD Set 8.2: B 109 THR OG1 : rot -98:sc= 0.825 USER MOD Set 9.1: A 92 ASN : amide:sc= 0.6 K(o=0.96,f=-8.5!) USER MOD Set 9.2: A 99 GLN : amide:sc= 0.357 K(o=0.96,f=-4.4!) USER MOD Set10.1: A 86 GLN : amide:sc= 1.04 K(o=2.3,f=-1.5) USER MOD Set10.2: A 106 TYR OH : rot 34:sc= 1.23 USER MOD Set11.1: A 71 TYR OH : rot -132:sc= 1.65 USER MOD Set11.2: A 85 THR OG1 : rot 110:sc= 2.29 USER MOD Set11.3: A 105 ASN : amide:sc= -0.209 K(o=3.7,f=2.8) USER MOD Set12.1: A 10 SER OG : rot -104:sc= 1.32 USER MOD Set12.2: A 12 HIS : no HE2:sc= 1.87 K(o=3.2,f=-9.9!) USER MOD Set12.3: A 45 TYR OH : rot 180:sc= 0 USER MOD Set13.1: A 16 MET CE :methyl -161:sc= 0 (180deg=0) USER MOD Set13.2: A 42 TYR OH : rot 165:sc= -0.314 USER MOD Set13.3: A 57 HIS : no HD1:sc= 0 X(o=-0.31,f=-0.53) USER MOD Set14.1: A 26 THR OG1 : rot 86:sc= 0.661 USER MOD Set14.2: A 32 HIS : no HE2:sc= -1.83! C(o=-1.2!,f=-5.8!) USER MOD Set15.1: A 13 SER OG : rot -45:sc= 2.13 USER MOD Set15.2: A 19 THR OG1 : rot -179:sc= 0.0281 USER MOD Single : A 6 LYS NZ :NH3+ 157:sc= 0.524 (180deg=-0.0592!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= 1.2 (180deg=0.685) USER MOD Single : A 20 TYR OH : rot 45:sc= 0.697 USER MOD Single : A 21 CYS SG : rot 87:sc= -0.728 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -140:sc= 1.24 USER MOD Single : A 46 HIS : no HE2:sc= 0.113 K(o=0.4,f=-6.7!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.044 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 53 MET CE :methyl 148:sc=-0.00689 (180deg=-1.44) USER MOD Single : A 54 THR OG1 : rot -176:sc= -0.949 USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.07) USER MOD Single : A 56 SER OG : rot 93:sc= 1.22 USER MOD Single : A 58 GLN : amide:sc= -0.0606 X(o=-0.061,f=-0.53) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 61 CYS SG : rot 67:sc= 1.27 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 1.26 (180deg=0.968) USER MOD Single : A 65 GLN : amide:sc= -0.522 K(o=-0.52,f=-2.3!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 165:sc= -0.0905 (180deg=-0.537) USER MOD Single : A 76 LYS NZ :NH3+ -157:sc= 1.25 (180deg=0.739) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -150:sc= 0.937 USER MOD Single : A 91 TYR OH : rot -12:sc= 0.506 USER MOD Single : A 95 ASN : amide:sc= -0.0473 X(o=-0.047,f=-0.14) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 100 CYS SG : rot -58:sc= 1.25 USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : B 7 CYS SG : rot -4:sc= 0.165 USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : B 14 SER OG : rot -66:sc= 0.94 USER MOD Single : B 17 ASN : amide:sc= 0.431 K(o=0.43,f=-7.6!) USER MOD Single : B 23 THR OG1 : rot 92:sc= 0.0441 USER MOD Single : B 29 CYS SG : rot -91:sc= -0.108 USER MOD Single : B 32 THR OG1 : rot -50:sc= -0.227 USER MOD Single : B 36 GLN : amide:sc= 0.403 X(o=0.4,f=0) USER MOD Single : B 38 GLN : amide:sc= 0.915 K(o=0.91,f=-6.1!) USER MOD Single : B 43 LYS NZ :NH3+ 154:sc= 1.12 (180deg=0.373!) USER MOD Single : B 44 ASN : amide:sc= 0.138 X(o=0.14,f=0) USER MOD Single : B 49 CYS SG : rot 75:sc= 0.467 USER MOD Single : B 50 HIS : no HE2:sc= -0.0527 K(o=-0.053,f=-4.1!) USER MOD Single : B 54 GLN : amide:sc= -1.79! C(o=-1.8!,f=-2.6!) USER MOD Single : B 55 GLN : amide:sc= -0.412 K(o=-0.41,f=-2.2) USER MOD Single : B 60 SER OG : rot 84:sc= 1.28 USER MOD Single : B 62 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : B 63 GLN : amide:sc= 0.0711 X(o=0.071,f=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 137:sc= 1.26 (180deg=1.1) USER MOD Single : B 70 GLN : amide:sc= 0.481 K(o=0.48,f=-5!) USER MOD Single : B 75 MET CE :methyl 148:sc= -0.549 (180deg=-2.82!) USER MOD Single : B 80 SER OG : rot 170:sc= -1.05 USER MOD Single : B 81 LYS NZ :NH3+ -157:sc= -0.0144 (180deg=-0.622!) USER MOD Single : B 82 ASN : amide:sc= 1.25 K(o=1.2,f=-0.88) USER MOD Single : B 94 THR OG1 : rot -136:sc= 0.446 USER MOD Single : B 96 GLN : amide:sc= -0.705! X(o=-0.71!,f=-0.23) USER MOD Single : B 99 TYR OH : rot -145:sc= 1.15 USER MOD Single : B 100 SER OG : rot 98:sc= 1.25 USER MOD Single : B 105 TYR OH : rot -120:sc= 1.27 USER MOD Single : B 111 THR OG1 : rot -116:sc= 1.04 USER MOD Single : B 112 ASN : amide:sc= -0.156 K(o=-0.16,f=-4.7!) USER MOD Single : B 114 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -9.617 12.752 3.141 1.00 0.00 N ATOM 2 CA LYS A 6 -8.357 11.984 3.068 1.00 0.00 C ATOM 3 C LYS A 6 -8.480 10.836 2.074 1.00 0.00 C ATOM 4 O LYS A 6 -9.326 10.858 1.178 1.00 0.00 O ATOM 5 CB LYS A 6 -7.995 11.426 4.449 1.00 0.00 C ATOM 6 CG LYS A 6 -7.671 12.489 5.483 1.00 0.00 C ATOM 7 CD LYS A 6 -7.425 11.867 6.845 1.00 0.00 C ATOM 8 CE LYS A 6 -7.275 12.919 7.927 1.00 0.00 C ATOM 9 NZ LYS A 6 -6.985 12.305 9.247 1.00 0.00 N ATOM 0 HA LYS A 6 -7.570 12.659 2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.825 10.821 4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.137 10.761 4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.789 13.048 5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.494 13.201 5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.252 11.203 7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.525 11.254 6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.472 13.605 7.660 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.190 13.509 7.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.515 13.003 9.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.875 11.999 9.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.362 11.483 9.118 1.00 0.00 H new ATOM 25 N THR A 7 -7.630 9.835 2.245 1.00 0.00 N ATOM 26 CA THR A 7 -7.614 8.668 1.381 1.00 0.00 C ATOM 27 C THR A 7 -7.411 7.405 2.222 1.00 0.00 C ATOM 28 O THR A 7 -7.191 7.501 3.431 1.00 0.00 O ATOM 29 CB THR A 7 -6.497 8.796 0.333 1.00 0.00 C ATOM 30 OG1 THR A 7 -5.611 9.860 0.709 1.00 0.00 O ATOM 31 CG2 THR A 7 -7.074 9.076 -1.044 1.00 0.00 C ATOM 0 H THR A 7 -6.932 9.810 2.988 1.00 0.00 H new ATOM 0 HA THR A 7 -8.569 8.598 0.860 1.00 0.00 H new ATOM 0 HB THR A 7 -5.950 7.854 0.291 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.970 10.713 0.387 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.263 9.162 -1.768 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.734 8.259 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.639 10.008 -1.019 1.00 0.00 H new ATOM 39 N PHE A 8 -7.483 6.232 1.600 1.00 0.00 N ATOM 40 CA PHE A 8 -7.317 4.981 2.331 1.00 0.00 C ATOM 41 C PHE A 8 -6.640 3.910 1.474 1.00 0.00 C ATOM 42 O PHE A 8 -7.027 3.676 0.333 1.00 0.00 O ATOM 43 CB PHE A 8 -8.688 4.488 2.815 1.00 0.00 C ATOM 44 CG PHE A 8 -8.707 3.058 3.286 1.00 0.00 C ATOM 45 CD1 PHE A 8 -7.922 2.652 4.353 1.00 0.00 C ATOM 46 CD2 PHE A 8 -9.517 2.123 2.661 1.00 0.00 C ATOM 47 CE1 PHE A 8 -7.943 1.341 4.785 1.00 0.00 C ATOM 48 CE2 PHE A 8 -9.541 0.810 3.090 1.00 0.00 C ATOM 49 CZ PHE A 8 -8.753 0.419 4.153 1.00 0.00 C ATOM 0 H PHE A 8 -7.654 6.122 0.600 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.669 5.169 3.187 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -9.024 5.130 3.629 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.407 4.600 2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.287 3.369 4.852 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.136 2.424 1.829 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.326 1.037 5.617 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.176 0.091 2.594 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.770 -0.607 4.490 1.00 0.00 H new ATOM 59 N LEU A 9 -5.622 3.266 2.035 1.00 0.00 N ATOM 60 CA LEU A 9 -4.907 2.202 1.341 1.00 0.00 C ATOM 61 C LEU A 9 -5.437 0.850 1.814 1.00 0.00 C ATOM 62 O LEU A 9 -5.264 0.483 2.975 1.00 0.00 O ATOM 63 CB LEU A 9 -3.397 2.315 1.608 1.00 0.00 C ATOM 64 CG LEU A 9 -2.473 1.577 0.623 1.00 0.00 C ATOM 65 CD1 LEU A 9 -2.350 0.105 0.989 1.00 0.00 C ATOM 66 CD2 LEU A 9 -2.968 1.735 -0.809 1.00 0.00 C ATOM 0 H LEU A 9 -5.273 3.464 2.973 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.069 2.294 0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.127 3.371 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.198 1.939 2.611 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.483 2.027 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.692 -0.393 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.935 0.013 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.335 -0.361 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.298 1.205 -1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.973 1.321 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.988 2.792 -1.073 1.00 0.00 H new ATOM 78 N SER A 10 -6.094 0.127 0.920 1.00 0.00 N ATOM 79 CA SER A 10 -6.660 -1.172 1.251 1.00 0.00 C ATOM 80 C SER A 10 -5.844 -2.304 0.625 1.00 0.00 C ATOM 81 O SER A 10 -6.036 -2.643 -0.541 1.00 0.00 O ATOM 82 CB SER A 10 -8.111 -1.239 0.756 1.00 0.00 C ATOM 83 OG SER A 10 -8.871 -2.189 1.488 1.00 0.00 O ATOM 0 H SER A 10 -6.249 0.420 -0.045 1.00 0.00 H new ATOM 0 HA SER A 10 -6.634 -1.295 2.334 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.572 -0.256 0.847 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.123 -1.500 -0.302 1.00 0.00 H new ATOM 0 HG SER A 10 -8.996 -2.996 0.946 1.00 0.00 H new ATOM 89 N ARG A 11 -4.930 -2.889 1.394 1.00 0.00 N ATOM 90 CA ARG A 11 -4.109 -3.983 0.888 1.00 0.00 C ATOM 91 C ARG A 11 -4.700 -5.331 1.293 1.00 0.00 C ATOM 92 O ARG A 11 -4.940 -5.594 2.476 1.00 0.00 O ATOM 93 CB ARG A 11 -2.664 -3.861 1.379 1.00 0.00 C ATOM 94 CG ARG A 11 -1.728 -4.890 0.763 1.00 0.00 C ATOM 95 CD ARG A 11 -1.306 -5.947 1.776 1.00 0.00 C ATOM 96 NE ARG A 11 -0.636 -7.086 1.143 1.00 0.00 N ATOM 97 CZ ARG A 11 0.633 -7.076 0.732 1.00 0.00 C ATOM 98 NH1 ARG A 11 1.367 -5.978 0.854 1.00 0.00 N ATOM 99 NH2 ARG A 11 1.165 -8.164 0.192 1.00 0.00 N ATOM 0 H ARG A 11 -4.741 -2.626 2.361 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.102 -3.921 -0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.294 -2.861 1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.646 -3.968 2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.222 -5.372 -0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.843 -4.388 0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.638 -5.497 2.510 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.184 -6.299 2.317 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.175 -7.942 1.008 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.962 -5.136 1.264 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.337 -5.975 0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.604 -9.010 0.091 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.135 -8.155 -0.122 1.00 0.00 H new ATOM 113 N HIS A 12 -4.936 -6.176 0.299 1.00 0.00 N ATOM 114 CA HIS A 12 -5.509 -7.499 0.522 1.00 0.00 C ATOM 115 C HIS A 12 -4.565 -8.574 0.000 1.00 0.00 C ATOM 116 O HIS A 12 -3.732 -8.303 -0.867 1.00 0.00 O ATOM 117 CB HIS A 12 -6.870 -7.626 -0.177 1.00 0.00 C ATOM 118 CG HIS A 12 -7.883 -6.612 0.266 1.00 0.00 C ATOM 119 ND1 HIS A 12 -8.992 -6.928 1.022 1.00 0.00 N ATOM 120 CD2 HIS A 12 -7.946 -5.278 0.052 1.00 0.00 C ATOM 121 CE1 HIS A 12 -9.688 -5.830 1.253 1.00 0.00 C ATOM 122 NE2 HIS A 12 -9.074 -4.814 0.678 1.00 0.00 N ATOM 0 H HIS A 12 -4.738 -5.967 -0.679 1.00 0.00 H new ATOM 0 HA HIS A 12 -5.651 -7.632 1.594 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -6.724 -7.532 -1.253 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.268 -8.624 0.004 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -9.236 -7.862 1.351 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.238 -4.687 -0.509 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.607 -5.773 1.818 1.00 0.00 H new ATOM 131 N SER A 13 -4.686 -9.783 0.530 1.00 0.00 N ATOM 132 CA SER A 13 -3.841 -10.891 0.106 1.00 0.00 C ATOM 133 C SER A 13 -4.559 -12.226 0.294 1.00 0.00 C ATOM 134 O SER A 13 -5.485 -12.332 1.104 1.00 0.00 O ATOM 135 CB SER A 13 -2.525 -10.889 0.895 1.00 0.00 C ATOM 136 OG SER A 13 -1.787 -9.702 0.653 1.00 0.00 O ATOM 0 H SER A 13 -5.362 -10.022 1.255 1.00 0.00 H new ATOM 0 HA SER A 13 -3.621 -10.763 -0.954 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.736 -10.979 1.961 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.927 -11.756 0.614 1.00 0.00 H new ATOM 0 HG SER A 13 -1.780 -9.512 -0.308 1.00 0.00 H new ATOM 142 N MET A 14 -4.131 -13.228 -0.477 1.00 0.00 N ATOM 143 CA MET A 14 -4.689 -14.581 -0.417 1.00 0.00 C ATOM 144 C MET A 14 -6.197 -14.596 -0.672 1.00 0.00 C ATOM 145 O MET A 14 -6.652 -14.339 -1.784 1.00 0.00 O ATOM 146 CB MET A 14 -4.370 -15.237 0.932 1.00 0.00 C ATOM 147 CG MET A 14 -2.997 -15.885 0.989 1.00 0.00 C ATOM 148 SD MET A 14 -2.586 -16.487 2.639 1.00 0.00 S ATOM 149 CE MET A 14 -1.099 -17.425 2.293 1.00 0.00 C ATOM 0 H MET A 14 -3.384 -13.123 -1.164 1.00 0.00 H new ATOM 0 HA MET A 14 -4.218 -15.157 -1.214 1.00 0.00 H new ATOM 0 HB2 MET A 14 -4.439 -14.484 1.717 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.127 -15.991 1.147 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.961 -16.715 0.283 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.245 -15.163 0.671 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.721 -17.862 3.217 1.00 0.00 H new ATOM 0 HE2 MET A 14 -1.327 -18.220 1.583 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.343 -16.765 1.868 1.00 0.00 H new ATOM 159 N ASP A 15 -6.966 -14.882 0.371 1.00 0.00 N ATOM 160 CA ASP A 15 -8.424 -14.953 0.277 1.00 0.00 C ATOM 161 C ASP A 15 -9.065 -13.569 0.387 1.00 0.00 C ATOM 162 O ASP A 15 -10.140 -13.415 0.971 1.00 0.00 O ATOM 163 CB ASP A 15 -8.974 -15.882 1.368 1.00 0.00 C ATOM 164 CG ASP A 15 -8.220 -15.749 2.677 1.00 0.00 C ATOM 165 OD1 ASP A 15 -8.563 -14.864 3.483 1.00 0.00 O ATOM 166 OD2 ASP A 15 -7.265 -16.524 2.900 1.00 0.00 O ATOM 0 H ASP A 15 -6.601 -15.071 1.304 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.678 -15.356 -0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.028 -15.658 1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.919 -16.915 1.024 1.00 0.00 H new ATOM 171 N MET A 16 -8.389 -12.569 -0.183 1.00 0.00 N ATOM 172 CA MET A 16 -8.864 -11.181 -0.186 1.00 0.00 C ATOM 173 C MET A 16 -9.002 -10.619 1.229 1.00 0.00 C ATOM 174 O MET A 16 -9.640 -9.585 1.437 1.00 0.00 O ATOM 175 CB MET A 16 -10.201 -11.073 -0.928 1.00 0.00 C ATOM 176 CG MET A 16 -10.282 -9.898 -1.893 1.00 0.00 C ATOM 177 SD MET A 16 -10.857 -8.375 -1.115 1.00 0.00 S ATOM 178 CE MET A 16 -11.120 -7.336 -2.552 1.00 0.00 C ATOM 0 H MET A 16 -7.495 -12.698 -0.657 1.00 0.00 H new ATOM 0 HA MET A 16 -8.115 -10.585 -0.707 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.373 -11.996 -1.481 1.00 0.00 H new ATOM 0 HB3 MET A 16 -11.004 -10.985 -0.197 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.298 -9.726 -2.329 1.00 0.00 H new ATOM 0 HG3 MET A 16 -10.953 -10.155 -2.712 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.145 -6.290 -2.245 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.308 -7.486 -3.263 1.00 0.00 H new ATOM 0 HE3 MET A 16 -12.067 -7.599 -3.023 1.00 0.00 H new ATOM 188 N LYS A 17 -8.391 -11.278 2.200 1.00 0.00 N ATOM 189 CA LYS A 17 -8.461 -10.815 3.574 1.00 0.00 C ATOM 190 C LYS A 17 -7.523 -9.634 3.773 1.00 0.00 C ATOM 191 O LYS A 17 -6.551 -9.468 3.028 1.00 0.00 O ATOM 192 CB LYS A 17 -8.120 -11.939 4.557 1.00 0.00 C ATOM 193 CG LYS A 17 -6.648 -12.327 4.586 1.00 0.00 C ATOM 194 CD LYS A 17 -6.257 -12.915 5.934 1.00 0.00 C ATOM 195 CE LYS A 17 -5.954 -14.401 5.836 1.00 0.00 C ATOM 196 NZ LYS A 17 -7.183 -15.224 5.682 1.00 0.00 N ATOM 0 H LYS A 17 -7.845 -12.129 2.063 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.484 -10.496 3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.422 -11.633 5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.710 -12.819 4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.445 -13.052 3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.035 -11.450 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.383 -12.391 6.319 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.065 -12.755 6.648 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.293 -14.579 4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.417 -14.719 6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.926 -16.170 5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.661 -15.310 6.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.823 -14.768 5.001 1.00 0.00 H new ATOM 210 N PHE A 18 -7.826 -8.805 4.760 1.00 0.00 N ATOM 211 CA PHE A 18 -7.003 -7.643 5.056 1.00 0.00 C ATOM 212 C PHE A 18 -5.652 -8.073 5.614 1.00 0.00 C ATOM 213 O PHE A 18 -5.578 -8.933 6.493 1.00 0.00 O ATOM 214 CB PHE A 18 -7.706 -6.728 6.058 1.00 0.00 C ATOM 215 CG PHE A 18 -8.515 -5.628 5.435 1.00 0.00 C ATOM 216 CD1 PHE A 18 -7.895 -4.500 4.922 1.00 0.00 C ATOM 217 CD2 PHE A 18 -9.894 -5.718 5.372 1.00 0.00 C ATOM 218 CE1 PHE A 18 -8.638 -3.484 4.357 1.00 0.00 C ATOM 219 CE2 PHE A 18 -10.644 -4.704 4.809 1.00 0.00 C ATOM 220 CZ PHE A 18 -10.015 -3.585 4.300 1.00 0.00 C ATOM 0 H PHE A 18 -8.636 -8.916 5.370 1.00 0.00 H new ATOM 0 HA PHE A 18 -6.845 -7.095 4.127 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.361 -7.333 6.686 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.957 -6.284 6.713 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.819 -4.415 4.965 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -10.390 -6.592 5.768 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.144 -2.610 3.959 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -11.720 -4.786 4.767 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.598 -2.790 3.858 1.00 0.00 H new ATOM 230 N THR A 19 -4.594 -7.487 5.080 1.00 0.00 N ATOM 231 CA THR A 19 -3.240 -7.790 5.523 1.00 0.00 C ATOM 232 C THR A 19 -2.588 -6.544 6.117 1.00 0.00 C ATOM 233 O THR A 19 -1.820 -6.615 7.082 1.00 0.00 O ATOM 234 CB THR A 19 -2.393 -8.303 4.347 1.00 0.00 C ATOM 235 OG1 THR A 19 -3.214 -8.385 3.173 1.00 0.00 O ATOM 236 CG2 THR A 19 -1.805 -9.670 4.658 1.00 0.00 C ATOM 0 H THR A 19 -4.646 -6.794 4.334 1.00 0.00 H new ATOM 0 HA THR A 19 -3.294 -8.566 6.287 1.00 0.00 H new ATOM 0 HB THR A 19 -1.571 -7.608 4.178 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.681 -8.724 2.424 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.210 -10.011 3.811 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.171 -9.601 5.542 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.612 -10.379 4.844 1.00 0.00 H new ATOM 244 N TYR A 20 -2.916 -5.404 5.527 1.00 0.00 N ATOM 245 CA TYR A 20 -2.403 -4.114 5.957 1.00 0.00 C ATOM 246 C TYR A 20 -3.263 -3.019 5.343 1.00 0.00 C ATOM 247 O TYR A 20 -3.553 -3.052 4.148 1.00 0.00 O ATOM 248 CB TYR A 20 -0.937 -3.944 5.534 1.00 0.00 C ATOM 249 CG TYR A 20 -0.284 -2.675 6.046 1.00 0.00 C ATOM 250 CD1 TYR A 20 0.065 -2.541 7.384 1.00 0.00 C ATOM 251 CD2 TYR A 20 -0.009 -1.616 5.189 1.00 0.00 C ATOM 252 CE1 TYR A 20 0.669 -1.389 7.853 1.00 0.00 C ATOM 253 CE2 TYR A 20 0.593 -0.461 5.650 1.00 0.00 C ATOM 254 CZ TYR A 20 0.931 -0.351 6.981 1.00 0.00 C ATOM 255 OH TYR A 20 1.535 0.800 7.442 1.00 0.00 O ATOM 0 H TYR A 20 -3.551 -5.349 4.730 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.444 -4.050 7.044 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.366 -4.802 5.890 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -0.881 -3.954 4.445 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.139 -3.350 8.069 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.270 -1.697 4.144 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.935 -1.302 8.896 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.798 0.352 4.970 1.00 0.00 H new ATOM 0 HH TYR A 20 2.291 0.564 8.020 1.00 0.00 H new ATOM 265 N CYS A 21 -3.691 -2.071 6.152 1.00 0.00 N ATOM 266 CA CYS A 21 -4.522 -0.990 5.662 1.00 0.00 C ATOM 267 C CYS A 21 -4.171 0.309 6.363 1.00 0.00 C ATOM 268 O CYS A 21 -3.591 0.297 7.451 1.00 0.00 O ATOM 269 CB CYS A 21 -6.000 -1.325 5.870 1.00 0.00 C ATOM 270 SG CYS A 21 -6.398 -1.919 7.532 1.00 0.00 S ATOM 0 H CYS A 21 -3.478 -2.027 7.149 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.338 -0.866 4.595 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.595 -0.436 5.662 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.295 -2.083 5.145 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.640 -0.905 8.309 1.00 0.00 H new ATOM 276 N ASP A 22 -4.502 1.419 5.726 1.00 0.00 N ATOM 277 CA ASP A 22 -4.230 2.733 6.287 1.00 0.00 C ATOM 278 C ASP A 22 -5.078 2.956 7.535 1.00 0.00 C ATOM 279 O ASP A 22 -6.248 2.571 7.575 1.00 0.00 O ATOM 280 CB ASP A 22 -4.514 3.819 5.250 1.00 0.00 C ATOM 281 CG ASP A 22 -3.725 5.081 5.513 1.00 0.00 C ATOM 282 OD1 ASP A 22 -4.045 5.790 6.485 1.00 0.00 O ATOM 283 OD2 ASP A 22 -2.767 5.357 4.757 1.00 0.00 O ATOM 0 H ASP A 22 -4.962 1.437 4.816 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.178 2.786 6.566 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.272 3.442 4.256 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.579 4.051 5.252 1.00 0.00 H new ATOM 288 N ASP A 23 -4.494 3.593 8.543 1.00 0.00 N ATOM 289 CA ASP A 23 -5.191 3.842 9.805 1.00 0.00 C ATOM 290 C ASP A 23 -6.301 4.876 9.641 1.00 0.00 C ATOM 291 O ASP A 23 -7.125 5.067 10.543 1.00 0.00 O ATOM 292 CB ASP A 23 -4.206 4.289 10.892 1.00 0.00 C ATOM 293 CG ASP A 23 -3.764 5.732 10.747 1.00 0.00 C ATOM 294 OD1 ASP A 23 -2.803 5.989 9.996 1.00 0.00 O ATOM 295 OD2 ASP A 23 -4.362 6.615 11.402 1.00 0.00 O ATOM 0 H ASP A 23 -3.538 3.948 8.514 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.651 2.903 10.112 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.670 4.155 11.869 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.328 3.643 10.864 1.00 0.00 H new ATOM 300 N ARG A 24 -6.332 5.525 8.483 1.00 0.00 N ATOM 301 CA ARG A 24 -7.345 6.529 8.190 1.00 0.00 C ATOM 302 C ARG A 24 -8.722 5.889 8.035 1.00 0.00 C ATOM 303 O ARG A 24 -9.742 6.579 8.054 1.00 0.00 O ATOM 304 CB ARG A 24 -6.977 7.303 6.922 1.00 0.00 C ATOM 305 CG ARG A 24 -5.853 8.299 7.139 1.00 0.00 C ATOM 306 CD ARG A 24 -5.243 8.767 5.828 1.00 0.00 C ATOM 307 NE ARG A 24 -4.307 9.866 6.047 1.00 0.00 N ATOM 308 CZ ARG A 24 -3.861 10.675 5.092 1.00 0.00 C ATOM 309 NH1 ARG A 24 -4.196 10.464 3.823 1.00 0.00 N ATOM 310 NH2 ARG A 24 -3.055 11.681 5.403 1.00 0.00 N ATOM 0 H ARG A 24 -5.663 5.372 7.729 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.384 7.223 9.029 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.684 6.597 6.145 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.858 7.832 6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.233 9.160 7.689 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.079 7.843 7.756 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.727 7.936 5.346 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.033 9.088 5.150 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.973 10.023 6.998 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.798 9.678 3.578 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.851 11.088 3.094 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.779 11.832 6.373 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.711 12.304 4.672 1.00 0.00 H new ATOM 324 N ILE A 25 -8.750 4.563 7.906 1.00 0.00 N ATOM 325 CA ILE A 25 -10.004 3.835 7.756 1.00 0.00 C ATOM 326 C ILE A 25 -10.862 3.974 9.014 1.00 0.00 C ATOM 327 O ILE A 25 -12.091 3.866 8.959 1.00 0.00 O ATOM 328 CB ILE A 25 -9.763 2.339 7.437 1.00 0.00 C ATOM 329 CG1 ILE A 25 -11.070 1.660 7.017 1.00 0.00 C ATOM 330 CG2 ILE A 25 -9.140 1.613 8.624 1.00 0.00 C ATOM 331 CD1 ILE A 25 -11.681 2.248 5.762 1.00 0.00 C ATOM 0 H ILE A 25 -7.918 3.974 7.903 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.537 4.275 6.913 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.060 2.285 6.606 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.883 0.598 6.857 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.789 1.738 7.832 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.983 0.565 8.368 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.183 2.073 8.871 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.807 1.681 9.483 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -12.604 1.719 5.524 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.900 3.303 5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.980 2.146 4.934 1.00 0.00 H new ATOM 343 N THR A 26 -10.210 4.248 10.139 1.00 0.00 N ATOM 344 CA THR A 26 -10.900 4.418 11.407 1.00 0.00 C ATOM 345 C THR A 26 -11.779 5.668 11.383 1.00 0.00 C ATOM 346 O THR A 26 -12.765 5.767 12.112 1.00 0.00 O ATOM 347 CB THR A 26 -9.896 4.529 12.569 1.00 0.00 C ATOM 348 OG1 THR A 26 -8.827 3.590 12.383 1.00 0.00 O ATOM 349 CG2 THR A 26 -10.581 4.266 13.898 1.00 0.00 C ATOM 0 H THR A 26 -9.197 4.357 10.195 1.00 0.00 H new ATOM 0 HA THR A 26 -11.527 3.539 11.559 1.00 0.00 H new ATOM 0 HB THR A 26 -9.493 5.542 12.579 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.134 3.991 11.819 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.853 4.350 14.705 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.376 4.997 14.049 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.007 3.263 13.896 1.00 0.00 H new ATOM 357 N GLU A 27 -11.426 6.611 10.522 1.00 0.00 N ATOM 358 CA GLU A 27 -12.176 7.851 10.397 1.00 0.00 C ATOM 359 C GLU A 27 -13.242 7.725 9.314 1.00 0.00 C ATOM 360 O GLU A 27 -14.049 8.631 9.113 1.00 0.00 O ATOM 361 CB GLU A 27 -11.228 9.002 10.057 1.00 0.00 C ATOM 362 CG GLU A 27 -9.981 9.047 10.928 1.00 0.00 C ATOM 363 CD GLU A 27 -8.940 10.013 10.403 1.00 0.00 C ATOM 364 OE1 GLU A 27 -9.268 10.823 9.511 1.00 0.00 O ATOM 365 OE2 GLU A 27 -7.787 9.971 10.876 1.00 0.00 O ATOM 0 H GLU A 27 -10.622 6.540 9.898 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.666 8.056 11.349 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.928 8.917 9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.765 9.945 10.158 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.260 9.335 11.942 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.548 8.049 10.988 1.00 0.00 H new ATOM 372 N LEU A 28 -13.235 6.598 8.617 1.00 0.00 N ATOM 373 CA LEU A 28 -14.191 6.356 7.545 1.00 0.00 C ATOM 374 C LEU A 28 -15.215 5.303 7.946 1.00 0.00 C ATOM 375 O LEU A 28 -16.402 5.593 8.087 1.00 0.00 O ATOM 376 CB LEU A 28 -13.456 5.901 6.282 1.00 0.00 C ATOM 377 CG LEU A 28 -12.269 6.770 5.871 1.00 0.00 C ATOM 378 CD1 LEU A 28 -11.457 6.081 4.789 1.00 0.00 C ATOM 379 CD2 LEU A 28 -12.747 8.129 5.393 1.00 0.00 C ATOM 0 H LEU A 28 -12.577 5.835 8.775 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.718 7.290 7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.103 4.881 6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.168 5.873 5.457 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.630 6.916 6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.615 6.714 4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.085 5.128 5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.087 5.906 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.889 8.736 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.407 8.001 4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.289 8.627 6.197 1.00 0.00 H new ATOM 391 N ILE A 29 -14.744 4.080 8.135 1.00 0.00 N ATOM 392 CA ILE A 29 -15.612 2.971 8.507 1.00 0.00 C ATOM 393 C ILE A 29 -15.704 2.847 10.024 1.00 0.00 C ATOM 394 O ILE A 29 -16.670 2.308 10.558 1.00 0.00 O ATOM 395 CB ILE A 29 -15.101 1.644 7.893 1.00 0.00 C ATOM 396 CG1 ILE A 29 -15.140 1.723 6.364 1.00 0.00 C ATOM 397 CG2 ILE A 29 -15.917 0.454 8.379 1.00 0.00 C ATOM 398 CD1 ILE A 29 -16.475 2.179 5.813 1.00 0.00 C ATOM 0 H ILE A 29 -13.760 3.829 8.036 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.608 3.174 8.112 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.071 1.498 8.220 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.363 2.408 6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -14.902 0.742 5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -15.531 -0.460 7.928 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.845 0.382 9.464 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -16.960 0.587 8.093 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -16.428 2.211 4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -17.254 1.482 6.122 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -16.706 3.173 6.195 1.00 0.00 H new ATOM 410 N GLY A 30 -14.698 3.364 10.711 1.00 0.00 N ATOM 411 CA GLY A 30 -14.683 3.299 12.158 1.00 0.00 C ATOM 412 C GLY A 30 -14.061 2.013 12.649 1.00 0.00 C ATOM 413 O GLY A 30 -14.064 1.721 13.844 1.00 0.00 O ATOM 0 H GLY A 30 -13.891 3.828 10.293 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.127 4.148 12.555 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.702 3.379 12.537 1.00 0.00 H new ATOM 417 N TYR A 31 -13.535 1.239 11.717 1.00 0.00 N ATOM 418 CA TYR A 31 -12.902 -0.024 12.042 1.00 0.00 C ATOM 419 C TYR A 31 -11.396 0.160 12.126 1.00 0.00 C ATOM 420 O TYR A 31 -10.792 0.784 11.254 1.00 0.00 O ATOM 421 CB TYR A 31 -13.244 -1.079 10.989 1.00 0.00 C ATOM 422 CG TYR A 31 -14.102 -2.209 11.516 1.00 0.00 C ATOM 423 CD1 TYR A 31 -13.663 -3.007 12.566 1.00 0.00 C ATOM 424 CD2 TYR A 31 -15.349 -2.479 10.964 1.00 0.00 C ATOM 425 CE1 TYR A 31 -14.442 -4.040 13.051 1.00 0.00 C ATOM 426 CE2 TYR A 31 -16.133 -3.512 11.443 1.00 0.00 C ATOM 427 CZ TYR A 31 -15.676 -4.288 12.486 1.00 0.00 C ATOM 428 OH TYR A 31 -16.456 -5.316 12.967 1.00 0.00 O ATOM 0 H TYR A 31 -13.535 1.466 10.723 1.00 0.00 H new ATOM 0 HA TYR A 31 -13.275 -0.365 13.008 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.762 -0.597 10.160 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -12.319 -1.493 10.589 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -12.697 -2.816 13.010 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.711 -1.872 10.148 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -14.087 -4.650 13.868 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.099 -3.710 11.002 1.00 0.00 H new ATOM 0 HH TYR A 31 -17.294 -5.355 12.461 1.00 0.00 H new ATOM 438 N HIS A 32 -10.803 -0.362 13.186 1.00 0.00 N ATOM 439 CA HIS A 32 -9.364 -0.263 13.385 1.00 0.00 C ATOM 440 C HIS A 32 -8.633 -1.251 12.482 1.00 0.00 C ATOM 441 O HIS A 32 -9.116 -2.359 12.254 1.00 0.00 O ATOM 442 CB HIS A 32 -9.018 -0.528 14.851 1.00 0.00 C ATOM 443 CG HIS A 32 -8.475 0.672 15.564 1.00 0.00 C ATOM 444 ND1 HIS A 32 -7.380 0.625 16.394 1.00 0.00 N ATOM 445 CD2 HIS A 32 -8.885 1.960 15.562 1.00 0.00 C ATOM 446 CE1 HIS A 32 -7.141 1.829 16.872 1.00 0.00 C ATOM 447 NE2 HIS A 32 -8.039 2.660 16.382 1.00 0.00 N ATOM 0 H HIS A 32 -11.297 -0.861 13.926 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.043 0.746 13.124 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.912 -0.875 15.370 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.286 -1.334 14.903 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -6.837 -0.212 16.607 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -9.724 2.363 15.015 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.343 2.091 17.551 1.00 0.00 H new ATOM 456 N PRO A 33 -7.457 -0.861 11.960 1.00 0.00 N ATOM 457 CA PRO A 33 -6.650 -1.705 11.064 1.00 0.00 C ATOM 458 C PRO A 33 -6.395 -3.111 11.617 1.00 0.00 C ATOM 459 O PRO A 33 -6.500 -4.103 10.891 1.00 0.00 O ATOM 460 CB PRO A 33 -5.332 -0.936 10.945 1.00 0.00 C ATOM 461 CG PRO A 33 -5.704 0.483 11.192 1.00 0.00 C ATOM 462 CD PRO A 33 -6.820 0.448 12.197 1.00 0.00 C ATOM 0 HA PRO A 33 -7.160 -1.873 10.115 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.601 -1.287 11.673 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.886 -1.063 9.959 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.854 1.049 11.572 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.024 0.969 10.270 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.444 0.533 13.217 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.521 1.269 12.046 1.00 0.00 H new ATOM 470 N GLU A 34 -6.084 -3.197 12.907 1.00 0.00 N ATOM 471 CA GLU A 34 -5.802 -4.480 13.546 1.00 0.00 C ATOM 472 C GLU A 34 -7.064 -5.331 13.654 1.00 0.00 C ATOM 473 O GLU A 34 -6.992 -6.558 13.767 1.00 0.00 O ATOM 474 CB GLU A 34 -5.184 -4.278 14.935 1.00 0.00 C ATOM 475 CG GLU A 34 -6.147 -3.711 15.966 1.00 0.00 C ATOM 476 CD GLU A 34 -6.116 -2.201 16.031 1.00 0.00 C ATOM 477 OE1 GLU A 34 -5.977 -1.553 14.974 1.00 0.00 O ATOM 478 OE2 GLU A 34 -6.232 -1.647 17.142 1.00 0.00 O ATOM 0 H GLU A 34 -6.021 -2.393 13.532 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.083 -5.007 12.918 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.805 -5.235 15.295 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.328 -3.609 14.846 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.159 -4.039 15.729 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.902 -4.117 16.947 1.00 0.00 H new ATOM 485 N GLU A 35 -8.217 -4.677 13.625 1.00 0.00 N ATOM 486 CA GLU A 35 -9.491 -5.372 13.704 1.00 0.00 C ATOM 487 C GLU A 35 -9.944 -5.791 12.316 1.00 0.00 C ATOM 488 O GLU A 35 -10.902 -6.545 12.166 1.00 0.00 O ATOM 489 CB GLU A 35 -10.554 -4.485 14.354 1.00 0.00 C ATOM 490 CG GLU A 35 -10.589 -4.594 15.866 1.00 0.00 C ATOM 491 CD GLU A 35 -10.678 -6.031 16.332 1.00 0.00 C ATOM 492 OE1 GLU A 35 -11.724 -6.675 16.100 1.00 0.00 O ATOM 493 OE2 GLU A 35 -9.698 -6.530 16.926 1.00 0.00 O ATOM 0 H GLU A 35 -8.295 -3.663 13.547 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.358 -6.261 14.321 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.369 -3.447 14.076 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.533 -4.752 13.955 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.694 -4.133 16.283 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.443 -4.036 16.249 1.00 0.00 H new ATOM 500 N LEU A 36 -9.241 -5.304 11.305 1.00 0.00 N ATOM 501 CA LEU A 36 -9.568 -5.617 9.925 1.00 0.00 C ATOM 502 C LEU A 36 -8.657 -6.707 9.375 1.00 0.00 C ATOM 503 O LEU A 36 -9.121 -7.640 8.723 1.00 0.00 O ATOM 504 CB LEU A 36 -9.459 -4.363 9.052 1.00 0.00 C ATOM 505 CG LEU A 36 -10.525 -3.295 9.308 1.00 0.00 C ATOM 506 CD1 LEU A 36 -10.282 -2.075 8.431 1.00 0.00 C ATOM 507 CD2 LEU A 36 -11.915 -3.863 9.063 1.00 0.00 C ATOM 0 H LEU A 36 -8.436 -4.687 11.417 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.595 -5.983 9.903 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.477 -3.917 9.206 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.512 -4.663 8.005 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.459 -2.984 10.351 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.050 -1.327 8.627 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.301 -1.656 8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.320 -2.368 7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.662 -3.091 9.249 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.993 -4.201 8.030 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.088 -4.704 9.734 1.00 0.00 H new ATOM 519 N LEU A 37 -7.359 -6.593 9.640 1.00 0.00 N ATOM 520 CA LEU A 37 -6.401 -7.574 9.142 1.00 0.00 C ATOM 521 C LEU A 37 -6.646 -8.951 9.754 1.00 0.00 C ATOM 522 O LEU A 37 -6.884 -9.078 10.956 1.00 0.00 O ATOM 523 CB LEU A 37 -4.954 -7.110 9.390 1.00 0.00 C ATOM 524 CG LEU A 37 -4.533 -6.938 10.855 1.00 0.00 C ATOM 525 CD1 LEU A 37 -3.836 -8.191 11.373 1.00 0.00 C ATOM 526 CD2 LEU A 37 -3.618 -5.732 11.003 1.00 0.00 C ATOM 0 H LEU A 37 -6.949 -5.839 10.191 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.547 -7.660 8.065 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.280 -7.829 8.923 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.808 -6.158 8.879 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.432 -6.776 11.449 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.548 -8.043 12.414 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.515 -9.041 11.302 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.946 -8.386 10.774 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.327 -5.622 12.048 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.727 -5.874 10.391 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.143 -4.835 10.676 1.00 0.00 H new ATOM 538 N GLY A 38 -6.615 -9.973 8.907 1.00 0.00 N ATOM 539 CA GLY A 38 -6.815 -11.332 9.371 1.00 0.00 C ATOM 540 C GLY A 38 -8.230 -11.846 9.174 1.00 0.00 C ATOM 541 O GLY A 38 -8.492 -13.028 9.391 1.00 0.00 O ATOM 0 H GLY A 38 -6.454 -9.884 7.904 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.123 -11.991 8.846 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.564 -11.385 10.430 1.00 0.00 H new ATOM 545 N ARG A 39 -9.144 -10.976 8.759 1.00 0.00 N ATOM 546 CA ARG A 39 -10.534 -11.378 8.552 1.00 0.00 C ATOM 547 C ARG A 39 -10.978 -11.118 7.114 1.00 0.00 C ATOM 548 O ARG A 39 -10.309 -10.396 6.369 1.00 0.00 O ATOM 549 CB ARG A 39 -11.450 -10.623 9.521 1.00 0.00 C ATOM 550 CG ARG A 39 -11.728 -9.186 9.103 1.00 0.00 C ATOM 551 CD ARG A 39 -12.236 -8.350 10.262 1.00 0.00 C ATOM 552 NE ARG A 39 -13.635 -8.624 10.572 1.00 0.00 N ATOM 553 CZ ARG A 39 -14.254 -8.178 11.661 1.00 0.00 C ATOM 554 NH1 ARG A 39 -13.583 -7.476 12.571 1.00 0.00 N ATOM 555 NH2 ARG A 39 -15.541 -8.445 11.842 1.00 0.00 N ATOM 0 H ARG A 39 -8.952 -9.994 8.560 1.00 0.00 H new ATOM 0 HA ARG A 39 -10.605 -12.449 8.743 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -12.396 -11.158 9.604 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.996 -10.623 10.512 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.816 -8.740 8.706 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.464 -9.177 8.299 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.626 -8.547 11.144 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.120 -7.293 10.023 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.170 -9.191 9.914 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.592 -7.279 12.434 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.060 -7.135 13.406 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.051 -8.990 11.147 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.020 -8.105 12.676 1.00 0.00 H new ATOM 569 N SER A 40 -12.108 -11.710 6.737 1.00 0.00 N ATOM 570 CA SER A 40 -12.660 -11.537 5.402 1.00 0.00 C ATOM 571 C SER A 40 -13.339 -10.179 5.298 1.00 0.00 C ATOM 572 O SER A 40 -14.177 -9.821 6.132 1.00 0.00 O ATOM 573 CB SER A 40 -13.662 -12.656 5.080 1.00 0.00 C ATOM 574 OG SER A 40 -14.359 -12.405 3.864 1.00 0.00 O ATOM 0 H SER A 40 -12.660 -12.317 7.343 1.00 0.00 H new ATOM 0 HA SER A 40 -11.846 -11.588 4.678 1.00 0.00 H new ATOM 0 HB2 SER A 40 -13.134 -13.607 5.007 1.00 0.00 H new ATOM 0 HB3 SER A 40 -14.378 -12.750 5.897 1.00 0.00 H new ATOM 0 HG SER A 40 -15.297 -12.669 3.964 1.00 0.00 H new ATOM 580 N ALA A 41 -12.971 -9.424 4.280 1.00 0.00 N ATOM 581 CA ALA A 41 -13.536 -8.104 4.066 1.00 0.00 C ATOM 582 C ALA A 41 -14.914 -8.193 3.426 1.00 0.00 C ATOM 583 O ALA A 41 -15.738 -7.297 3.587 1.00 0.00 O ATOM 584 CB ALA A 41 -12.606 -7.280 3.195 1.00 0.00 C ATOM 0 H ALA A 41 -12.279 -9.704 3.584 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.647 -7.618 5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.036 -6.291 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.639 -7.181 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.475 -7.775 2.233 1.00 0.00 H new ATOM 590 N TYR A 42 -15.176 -9.302 2.743 1.00 0.00 N ATOM 591 CA TYR A 42 -16.449 -9.503 2.051 1.00 0.00 C ATOM 592 C TYR A 42 -17.615 -9.714 3.016 1.00 0.00 C ATOM 593 O TYR A 42 -18.744 -9.936 2.587 1.00 0.00 O ATOM 594 CB TYR A 42 -16.352 -10.692 1.098 1.00 0.00 C ATOM 595 CG TYR A 42 -15.718 -10.354 -0.232 1.00 0.00 C ATOM 596 CD1 TYR A 42 -16.486 -9.859 -1.279 1.00 0.00 C ATOM 597 CD2 TYR A 42 -14.359 -10.533 -0.442 1.00 0.00 C ATOM 598 CE1 TYR A 42 -15.915 -9.550 -2.499 1.00 0.00 C ATOM 599 CE2 TYR A 42 -13.781 -10.228 -1.658 1.00 0.00 C ATOM 600 CZ TYR A 42 -14.562 -9.737 -2.684 1.00 0.00 C ATOM 601 OH TYR A 42 -13.986 -9.431 -3.898 1.00 0.00 O ATOM 0 H TYR A 42 -14.522 -10.080 2.652 1.00 0.00 H new ATOM 0 HA TYR A 42 -16.649 -8.591 1.489 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -15.774 -11.483 1.576 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -17.352 -11.089 0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -17.547 -9.713 -1.137 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -13.743 -10.917 0.358 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -16.525 -9.164 -3.302 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.721 -10.373 -1.806 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.012 -9.388 -3.796 1.00 0.00 H new ATOM 611 N GLU A 43 -17.344 -9.648 4.310 1.00 0.00 N ATOM 612 CA GLU A 43 -18.388 -9.826 5.308 1.00 0.00 C ATOM 613 C GLU A 43 -19.065 -8.494 5.610 1.00 0.00 C ATOM 614 O GLU A 43 -20.169 -8.452 6.155 1.00 0.00 O ATOM 615 CB GLU A 43 -17.816 -10.427 6.596 1.00 0.00 C ATOM 616 CG GLU A 43 -16.995 -11.688 6.379 1.00 0.00 C ATOM 617 CD GLU A 43 -17.636 -12.651 5.397 1.00 0.00 C ATOM 618 OE1 GLU A 43 -18.749 -13.141 5.675 1.00 0.00 O ATOM 619 OE2 GLU A 43 -17.024 -12.918 4.339 1.00 0.00 O ATOM 0 H GLU A 43 -16.415 -9.473 4.693 1.00 0.00 H new ATOM 0 HA GLU A 43 -19.128 -10.517 4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -17.193 -9.680 7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -18.638 -10.653 7.275 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -16.005 -11.412 6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -16.854 -12.192 7.335 1.00 0.00 H new ATOM 626 N PHE A 44 -18.394 -7.406 5.254 1.00 0.00 N ATOM 627 CA PHE A 44 -18.924 -6.066 5.482 1.00 0.00 C ATOM 628 C PHE A 44 -18.644 -5.163 4.283 1.00 0.00 C ATOM 629 O PHE A 44 -18.822 -3.947 4.345 1.00 0.00 O ATOM 630 CB PHE A 44 -18.318 -5.465 6.757 1.00 0.00 C ATOM 631 CG PHE A 44 -16.826 -5.639 6.865 1.00 0.00 C ATOM 632 CD1 PHE A 44 -15.964 -4.772 6.212 1.00 0.00 C ATOM 633 CD2 PHE A 44 -16.288 -6.670 7.620 1.00 0.00 C ATOM 634 CE1 PHE A 44 -14.595 -4.930 6.310 1.00 0.00 C ATOM 635 CE2 PHE A 44 -14.920 -6.833 7.721 1.00 0.00 C ATOM 636 CZ PHE A 44 -14.073 -5.963 7.065 1.00 0.00 C ATOM 0 H PHE A 44 -17.479 -7.425 4.805 1.00 0.00 H new ATOM 0 HA PHE A 44 -20.004 -6.140 5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -18.553 -4.401 6.793 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -18.791 -5.925 7.624 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.367 -3.964 5.620 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.946 -7.354 8.135 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -13.934 -4.247 5.797 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.514 -7.640 8.313 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.003 -6.089 7.142 1.00 0.00 H new ATOM 646 N TYR A 45 -18.210 -5.769 3.189 1.00 0.00 N ATOM 647 CA TYR A 45 -17.900 -5.023 1.980 1.00 0.00 C ATOM 648 C TYR A 45 -19.155 -4.827 1.147 1.00 0.00 C ATOM 649 O TYR A 45 -19.522 -5.694 0.353 1.00 0.00 O ATOM 650 CB TYR A 45 -16.830 -5.741 1.152 1.00 0.00 C ATOM 651 CG TYR A 45 -15.579 -4.923 0.914 1.00 0.00 C ATOM 652 CD1 TYR A 45 -14.648 -4.733 1.927 1.00 0.00 C ATOM 653 CD2 TYR A 45 -15.324 -4.349 -0.324 1.00 0.00 C ATOM 654 CE1 TYR A 45 -13.498 -3.996 1.714 1.00 0.00 C ATOM 655 CE2 TYR A 45 -14.176 -3.609 -0.547 1.00 0.00 C ATOM 656 CZ TYR A 45 -13.266 -3.436 0.477 1.00 0.00 C ATOM 657 OH TYR A 45 -12.117 -2.704 0.262 1.00 0.00 O ATOM 0 H TYR A 45 -18.064 -6.776 3.114 1.00 0.00 H new ATOM 0 HA TYR A 45 -17.511 -4.048 2.274 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -16.555 -6.666 1.658 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.258 -6.019 0.189 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.826 -5.169 2.899 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.034 -4.482 -1.127 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.785 -3.860 2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -13.993 -3.169 -1.516 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.104 -2.379 -0.662 1.00 0.00 H new ATOM 667 N HIS A 46 -19.809 -3.685 1.355 1.00 0.00 N ATOM 668 CA HIS A 46 -21.032 -3.315 0.632 1.00 0.00 C ATOM 669 C HIS A 46 -22.220 -4.135 1.122 1.00 0.00 C ATOM 670 O HIS A 46 -22.106 -4.906 2.076 1.00 0.00 O ATOM 671 CB HIS A 46 -20.882 -3.496 -0.888 1.00 0.00 C ATOM 672 CG HIS A 46 -19.646 -2.887 -1.480 1.00 0.00 C ATOM 673 ND1 HIS A 46 -19.265 -3.095 -2.787 1.00 0.00 N ATOM 674 CD2 HIS A 46 -18.681 -2.110 -0.932 1.00 0.00 C ATOM 675 CE1 HIS A 46 -18.124 -2.480 -3.015 1.00 0.00 C ATOM 676 NE2 HIS A 46 -17.746 -1.874 -1.906 1.00 0.00 N ATOM 0 H HIS A 46 -19.507 -2.985 2.032 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.208 -2.259 0.835 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -20.887 -4.562 -1.114 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.753 -3.062 -1.378 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -19.787 -3.641 -3.472 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -18.654 -1.744 0.084 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.587 -2.473 -3.952 1.00 0.00 H new ATOM 685 N ALA A 47 -23.361 -3.960 0.467 1.00 0.00 N ATOM 686 CA ALA A 47 -24.569 -4.687 0.833 1.00 0.00 C ATOM 687 C ALA A 47 -25.295 -5.201 -0.406 1.00 0.00 C ATOM 688 O ALA A 47 -25.599 -6.389 -0.514 1.00 0.00 O ATOM 689 CB ALA A 47 -25.485 -3.800 1.658 1.00 0.00 C ATOM 0 H ALA A 47 -23.475 -3.321 -0.320 1.00 0.00 H new ATOM 0 HA ALA A 47 -24.280 -5.549 1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -26.384 -4.355 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -24.968 -3.487 2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -25.761 -2.920 1.076 1.00 0.00 H new ATOM 695 N LEU A 48 -25.570 -4.303 -1.341 1.00 0.00 N ATOM 696 CA LEU A 48 -26.255 -4.676 -2.571 1.00 0.00 C ATOM 697 C LEU A 48 -25.309 -4.546 -3.757 1.00 0.00 C ATOM 698 O LEU A 48 -25.500 -5.170 -4.798 1.00 0.00 O ATOM 699 CB LEU A 48 -27.508 -3.810 -2.781 1.00 0.00 C ATOM 700 CG LEU A 48 -27.266 -2.387 -3.310 1.00 0.00 C ATOM 701 CD1 LEU A 48 -28.577 -1.773 -3.772 1.00 0.00 C ATOM 702 CD2 LEU A 48 -26.625 -1.504 -2.247 1.00 0.00 C ATOM 0 H LEU A 48 -25.330 -3.314 -1.272 1.00 0.00 H new ATOM 0 HA LEU A 48 -26.573 -5.715 -2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -28.169 -4.327 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -28.038 -3.737 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 48 -26.580 -2.453 -4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -28.395 -0.765 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -29.004 -2.383 -4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -29.274 -1.730 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -26.467 -0.504 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -27.282 -1.444 -1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -25.667 -1.931 -1.949 1.00 0.00 H new ATOM 714 N ASP A 49 -24.275 -3.742 -3.575 1.00 0.00 N ATOM 715 CA ASP A 49 -23.276 -3.505 -4.605 1.00 0.00 C ATOM 716 C ASP A 49 -22.037 -4.353 -4.336 1.00 0.00 C ATOM 717 O ASP A 49 -20.928 -4.030 -4.769 1.00 0.00 O ATOM 718 CB ASP A 49 -22.911 -2.012 -4.659 1.00 0.00 C ATOM 719 CG ASP A 49 -22.455 -1.451 -3.319 1.00 0.00 C ATOM 720 OD1 ASP A 49 -23.009 -1.857 -2.270 1.00 0.00 O ATOM 721 OD2 ASP A 49 -21.549 -0.589 -3.315 1.00 0.00 O ATOM 0 H ASP A 49 -24.104 -3.234 -2.707 1.00 0.00 H new ATOM 0 HA ASP A 49 -23.689 -3.792 -5.572 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -22.119 -1.866 -5.394 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -23.776 -1.447 -5.006 1.00 0.00 H new ATOM 726 N SER A 50 -22.236 -5.444 -3.614 1.00 0.00 N ATOM 727 CA SER A 50 -21.155 -6.354 -3.276 1.00 0.00 C ATOM 728 C SER A 50 -20.691 -7.129 -4.507 1.00 0.00 C ATOM 729 O SER A 50 -19.496 -7.368 -4.679 1.00 0.00 O ATOM 730 CB SER A 50 -21.626 -7.316 -2.190 1.00 0.00 C ATOM 731 OG SER A 50 -22.566 -6.681 -1.339 1.00 0.00 O ATOM 0 H SER A 50 -23.146 -5.722 -3.248 1.00 0.00 H new ATOM 0 HA SER A 50 -20.308 -5.775 -2.906 1.00 0.00 H new ATOM 0 HB2 SER A 50 -22.077 -8.197 -2.647 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.773 -7.661 -1.606 1.00 0.00 H new ATOM 0 HG SER A 50 -22.860 -7.311 -0.649 1.00 0.00 H new ATOM 737 N GLU A 51 -21.641 -7.490 -5.369 1.00 0.00 N ATOM 738 CA GLU A 51 -21.343 -8.241 -6.590 1.00 0.00 C ATOM 739 C GLU A 51 -20.360 -7.479 -7.476 1.00 0.00 C ATOM 740 O GLU A 51 -19.535 -8.077 -8.172 1.00 0.00 O ATOM 741 CB GLU A 51 -22.633 -8.532 -7.359 1.00 0.00 C ATOM 742 CG GLU A 51 -22.455 -9.494 -8.524 1.00 0.00 C ATOM 743 CD GLU A 51 -22.696 -8.834 -9.865 1.00 0.00 C ATOM 744 OE1 GLU A 51 -22.673 -7.587 -9.935 1.00 0.00 O ATOM 745 OE2 GLU A 51 -22.921 -9.557 -10.858 1.00 0.00 O ATOM 0 H GLU A 51 -22.630 -7.273 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 51 -20.880 -9.185 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -23.370 -8.945 -6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -23.039 -7.593 -7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -21.445 -9.904 -8.501 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -23.142 -10.332 -8.407 1.00 0.00 H new ATOM 752 N ASN A 52 -20.447 -6.155 -7.434 1.00 0.00 N ATOM 753 CA ASN A 52 -19.560 -5.302 -8.216 1.00 0.00 C ATOM 754 C ASN A 52 -18.115 -5.524 -7.791 1.00 0.00 C ATOM 755 O ASN A 52 -17.195 -5.454 -8.605 1.00 0.00 O ATOM 756 CB ASN A 52 -19.925 -3.827 -8.025 1.00 0.00 C ATOM 757 CG ASN A 52 -21.290 -3.479 -8.584 1.00 0.00 C ATOM 758 OD1 ASN A 52 -22.306 -3.627 -7.907 1.00 0.00 O ATOM 759 ND2 ASN A 52 -21.325 -3.006 -9.820 1.00 0.00 N ATOM 0 H ASN A 52 -21.125 -5.648 -6.865 1.00 0.00 H new ATOM 0 HA ASN A 52 -19.675 -5.562 -9.268 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -19.902 -3.587 -6.962 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -19.171 -3.206 -8.509 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -22.217 -2.750 -10.243 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.460 -2.898 -10.349 1.00 0.00 H new ATOM 766 N MET A 53 -17.928 -5.813 -6.510 1.00 0.00 N ATOM 767 CA MET A 53 -16.600 -6.040 -5.961 1.00 0.00 C ATOM 768 C MET A 53 -16.101 -7.438 -6.306 1.00 0.00 C ATOM 769 O MET A 53 -14.916 -7.631 -6.567 1.00 0.00 O ATOM 770 CB MET A 53 -16.612 -5.833 -4.442 1.00 0.00 C ATOM 771 CG MET A 53 -15.264 -6.069 -3.773 1.00 0.00 C ATOM 772 SD MET A 53 -13.927 -5.118 -4.525 1.00 0.00 S ATOM 773 CE MET A 53 -14.487 -3.439 -4.249 1.00 0.00 C ATOM 0 H MET A 53 -18.684 -5.896 -5.830 1.00 0.00 H new ATOM 0 HA MET A 53 -15.916 -5.318 -6.407 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.939 -4.816 -4.227 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.348 -6.505 -4.000 1.00 0.00 H new ATOM 0 HG2 MET A 53 -15.338 -5.809 -2.717 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.020 -7.130 -3.823 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.625 -2.786 -4.113 1.00 0.00 H new ATOM 0 HE2 MET A 53 -15.066 -3.102 -5.109 1.00 0.00 H new ATOM 0 HE3 MET A 53 -15.112 -3.406 -3.356 1.00 0.00 H new ATOM 783 N THR A 54 -17.006 -8.410 -6.313 1.00 0.00 N ATOM 784 CA THR A 54 -16.641 -9.784 -6.632 1.00 0.00 C ATOM 785 C THR A 54 -16.200 -9.907 -8.088 1.00 0.00 C ATOM 786 O THR A 54 -15.175 -10.524 -8.386 1.00 0.00 O ATOM 787 CB THR A 54 -17.811 -10.748 -6.370 1.00 0.00 C ATOM 788 OG1 THR A 54 -18.902 -10.040 -5.763 1.00 0.00 O ATOM 789 CG2 THR A 54 -17.375 -11.892 -5.469 1.00 0.00 C ATOM 0 H THR A 54 -17.994 -8.272 -6.102 1.00 0.00 H new ATOM 0 HA THR A 54 -15.809 -10.056 -5.982 1.00 0.00 H new ATOM 0 HB THR A 54 -18.135 -11.163 -7.324 1.00 0.00 H new ATOM 0 HG1 THR A 54 -19.619 -10.671 -5.542 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.218 -12.561 -5.297 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.565 -12.444 -5.947 1.00 0.00 H new ATOM 0 HG23 THR A 54 -17.028 -11.493 -4.516 1.00 0.00 H new ATOM 797 N LYS A 55 -16.966 -9.299 -8.988 1.00 0.00 N ATOM 798 CA LYS A 55 -16.645 -9.337 -10.409 1.00 0.00 C ATOM 799 C LYS A 55 -15.327 -8.624 -10.674 1.00 0.00 C ATOM 800 O LYS A 55 -14.464 -9.137 -11.389 1.00 0.00 O ATOM 801 CB LYS A 55 -17.767 -8.709 -11.237 1.00 0.00 C ATOM 802 CG LYS A 55 -18.654 -9.731 -11.931 1.00 0.00 C ATOM 803 CD LYS A 55 -19.429 -10.576 -10.933 1.00 0.00 C ATOM 804 CE LYS A 55 -20.302 -11.607 -11.633 1.00 0.00 C ATOM 805 NZ LYS A 55 -21.356 -10.972 -12.470 1.00 0.00 N ATOM 0 H LYS A 55 -17.811 -8.776 -8.759 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.544 -10.380 -10.708 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -18.383 -8.087 -10.587 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.329 -8.051 -11.987 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -19.352 -9.217 -12.592 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.041 -10.379 -12.557 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.732 -11.082 -10.265 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.052 -9.930 -10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.678 -12.245 -12.259 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.770 -12.251 -10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -21.969 -11.709 -12.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.926 -10.331 -11.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -20.910 -10.432 -13.239 1.00 0.00 H new ATOM 819 N SER A 56 -15.166 -7.446 -10.080 1.00 0.00 N ATOM 820 CA SER A 56 -13.942 -6.681 -10.242 1.00 0.00 C ATOM 821 C SER A 56 -12.763 -7.442 -9.645 1.00 0.00 C ATOM 822 O SER A 56 -11.655 -7.377 -10.158 1.00 0.00 O ATOM 823 CB SER A 56 -14.078 -5.308 -9.584 1.00 0.00 C ATOM 824 OG SER A 56 -15.176 -4.589 -10.125 1.00 0.00 O ATOM 0 H SER A 56 -15.867 -7.004 -9.485 1.00 0.00 H new ATOM 0 HA SER A 56 -13.761 -6.536 -11.307 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.212 -5.428 -8.509 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.160 -4.739 -9.729 1.00 0.00 H new ATOM 0 HG SER A 56 -15.975 -4.754 -9.581 1.00 0.00 H new ATOM 830 N HIS A 57 -13.022 -8.181 -8.573 1.00 0.00 N ATOM 831 CA HIS A 57 -11.992 -8.966 -7.900 1.00 0.00 C ATOM 832 C HIS A 57 -11.388 -10.004 -8.843 1.00 0.00 C ATOM 833 O HIS A 57 -10.175 -10.214 -8.848 1.00 0.00 O ATOM 834 CB HIS A 57 -12.593 -9.657 -6.669 1.00 0.00 C ATOM 835 CG HIS A 57 -11.644 -10.540 -5.907 1.00 0.00 C ATOM 836 ND1 HIS A 57 -12.021 -11.745 -5.352 1.00 0.00 N ATOM 837 CD2 HIS A 57 -10.336 -10.383 -5.598 1.00 0.00 C ATOM 838 CE1 HIS A 57 -10.989 -12.286 -4.737 1.00 0.00 C ATOM 839 NE2 HIS A 57 -9.953 -11.482 -4.871 1.00 0.00 N ATOM 0 H HIS A 57 -13.946 -8.254 -8.147 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.194 -8.293 -7.586 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.976 -8.892 -5.993 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -13.446 -10.256 -6.988 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.709 -9.547 -5.873 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.991 -13.230 -4.211 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.019 -11.649 -4.496 1.00 0.00 H new ATOM 848 N GLN A 58 -12.233 -10.637 -9.646 1.00 0.00 N ATOM 849 CA GLN A 58 -11.777 -11.662 -10.576 1.00 0.00 C ATOM 850 C GLN A 58 -11.072 -11.050 -11.787 1.00 0.00 C ATOM 851 O GLN A 58 -10.073 -11.586 -12.269 1.00 0.00 O ATOM 852 CB GLN A 58 -12.959 -12.523 -11.032 1.00 0.00 C ATOM 853 CG GLN A 58 -13.735 -13.150 -9.884 1.00 0.00 C ATOM 854 CD GLN A 58 -12.877 -14.057 -9.023 1.00 0.00 C ATOM 855 OE1 GLN A 58 -11.946 -14.704 -9.508 1.00 0.00 O ATOM 856 NE2 GLN A 58 -13.183 -14.111 -7.737 1.00 0.00 N ATOM 0 H GLN A 58 -13.237 -10.459 -9.672 1.00 0.00 H new ATOM 0 HA GLN A 58 -11.055 -12.289 -10.053 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -13.637 -11.909 -11.625 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -12.591 -13.314 -11.685 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.158 -12.360 -9.263 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.571 -13.722 -10.286 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -13.961 -13.560 -7.374 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.641 -14.703 -7.108 1.00 0.00 H new ATOM 865 N ASN A 59 -11.584 -9.925 -12.265 1.00 0.00 N ATOM 866 CA ASN A 59 -11.011 -9.250 -13.430 1.00 0.00 C ATOM 867 C ASN A 59 -9.715 -8.510 -13.090 1.00 0.00 C ATOM 868 O ASN A 59 -8.728 -8.604 -13.822 1.00 0.00 O ATOM 869 CB ASN A 59 -12.033 -8.273 -14.028 1.00 0.00 C ATOM 870 CG ASN A 59 -11.401 -7.246 -14.954 1.00 0.00 C ATOM 871 OD1 ASN A 59 -11.019 -6.158 -14.525 1.00 0.00 O ATOM 872 ND2 ASN A 59 -11.296 -7.580 -16.230 1.00 0.00 N ATOM 0 H ASN A 59 -12.397 -9.456 -11.866 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.765 -10.018 -14.163 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.786 -8.836 -14.579 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.550 -7.756 -13.219 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.887 -6.925 -16.896 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -11.624 -8.492 -16.547 1.00 0.00 H new ATOM 879 N LEU A 60 -9.722 -7.790 -11.977 1.00 0.00 N ATOM 880 CA LEU A 60 -8.569 -7.004 -11.541 1.00 0.00 C ATOM 881 C LEU A 60 -7.307 -7.850 -11.378 1.00 0.00 C ATOM 882 O LEU A 60 -6.213 -7.399 -11.705 1.00 0.00 O ATOM 883 CB LEU A 60 -8.893 -6.291 -10.226 1.00 0.00 C ATOM 884 CG LEU A 60 -7.816 -5.339 -9.708 1.00 0.00 C ATOM 885 CD1 LEU A 60 -7.430 -4.333 -10.777 1.00 0.00 C ATOM 886 CD2 LEU A 60 -8.299 -4.626 -8.457 1.00 0.00 C ATOM 0 H LEU A 60 -10.524 -7.732 -11.350 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.365 -6.272 -12.322 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.817 -5.728 -10.357 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.084 -7.045 -9.462 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.932 -5.925 -9.455 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.662 -3.665 -10.387 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.044 -4.860 -11.650 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.306 -3.751 -11.062 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.521 -3.951 -8.100 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.198 -4.054 -8.688 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.525 -5.360 -7.684 1.00 0.00 H new ATOM 898 N CYS A 61 -7.462 -9.073 -10.894 1.00 0.00 N ATOM 899 CA CYS A 61 -6.319 -9.959 -10.689 1.00 0.00 C ATOM 900 C CYS A 61 -5.595 -10.255 -12.005 1.00 0.00 C ATOM 901 O CYS A 61 -4.375 -10.439 -12.025 1.00 0.00 O ATOM 902 CB CYS A 61 -6.771 -11.263 -10.030 1.00 0.00 C ATOM 903 SG CYS A 61 -7.405 -11.052 -8.350 1.00 0.00 S ATOM 0 H CYS A 61 -8.363 -9.476 -10.636 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.617 -9.449 -10.029 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.546 -11.720 -10.646 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.931 -11.957 -10.007 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.517 -10.380 -8.387 1.00 0.00 H new ATOM 909 N THR A 62 -6.345 -10.286 -13.099 1.00 0.00 N ATOM 910 CA THR A 62 -5.772 -10.560 -14.408 1.00 0.00 C ATOM 911 C THR A 62 -5.383 -9.266 -15.118 1.00 0.00 C ATOM 912 O THR A 62 -4.454 -9.242 -15.924 1.00 0.00 O ATOM 913 CB THR A 62 -6.761 -11.341 -15.292 1.00 0.00 C ATOM 914 OG1 THR A 62 -7.625 -12.139 -14.468 1.00 0.00 O ATOM 915 CG2 THR A 62 -6.020 -12.238 -16.273 1.00 0.00 C ATOM 0 H THR A 62 -7.352 -10.125 -13.105 1.00 0.00 H new ATOM 0 HA THR A 62 -4.879 -11.164 -14.248 1.00 0.00 H new ATOM 0 HB THR A 62 -7.355 -10.624 -15.858 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.254 -12.633 -15.035 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.740 -12.779 -16.886 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.383 -11.628 -16.914 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.405 -12.950 -15.722 1.00 0.00 H new ATOM 923 N LYS A 63 -6.096 -8.191 -14.808 1.00 0.00 N ATOM 924 CA LYS A 63 -5.833 -6.896 -15.422 1.00 0.00 C ATOM 925 C LYS A 63 -4.592 -6.253 -14.816 1.00 0.00 C ATOM 926 O LYS A 63 -3.698 -5.805 -15.534 1.00 0.00 O ATOM 927 CB LYS A 63 -7.044 -5.974 -15.245 1.00 0.00 C ATOM 928 CG LYS A 63 -7.158 -4.892 -16.307 1.00 0.00 C ATOM 929 CD LYS A 63 -6.389 -3.637 -15.929 1.00 0.00 C ATOM 930 CE LYS A 63 -6.665 -2.509 -16.908 1.00 0.00 C ATOM 931 NZ LYS A 63 -5.877 -1.288 -16.596 1.00 0.00 N ATOM 0 H LYS A 63 -6.862 -8.190 -14.134 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.655 -7.050 -16.486 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.952 -6.577 -15.257 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.988 -5.502 -14.264 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.782 -5.275 -17.256 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.208 -4.642 -16.458 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.668 -3.325 -14.923 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.321 -3.853 -15.911 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.430 -2.842 -17.919 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.728 -2.267 -16.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.229 -0.493 -17.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.975 -1.060 -15.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.875 -1.456 -16.817 1.00 0.00 H new ATOM 945 N GLY A 64 -4.541 -6.224 -13.494 1.00 0.00 N ATOM 946 CA GLY A 64 -3.420 -5.626 -12.803 1.00 0.00 C ATOM 947 C GLY A 64 -3.844 -4.426 -11.987 1.00 0.00 C ATOM 948 O GLY A 64 -3.960 -4.506 -10.768 1.00 0.00 O ATOM 0 H GLY A 64 -5.262 -6.607 -12.883 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.958 -6.366 -12.150 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.664 -5.325 -13.528 1.00 0.00 H new ATOM 952 N GLN A 65 -4.092 -3.317 -12.661 1.00 0.00 N ATOM 953 CA GLN A 65 -4.511 -2.100 -11.991 1.00 0.00 C ATOM 954 C GLN A 65 -5.639 -1.435 -12.770 1.00 0.00 C ATOM 955 O GLN A 65 -5.469 -1.068 -13.931 1.00 0.00 O ATOM 956 CB GLN A 65 -3.325 -1.146 -11.845 1.00 0.00 C ATOM 957 CG GLN A 65 -3.661 0.133 -11.103 1.00 0.00 C ATOM 958 CD GLN A 65 -2.883 1.322 -11.624 1.00 0.00 C ATOM 959 OE1 GLN A 65 -2.480 1.354 -12.787 1.00 0.00 O ATOM 960 NE2 GLN A 65 -2.683 2.316 -10.779 1.00 0.00 N ATOM 0 H GLN A 65 -4.010 -3.235 -13.674 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.878 -2.351 -10.996 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.519 -1.659 -11.320 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.949 -0.893 -12.836 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.729 0.333 -11.193 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.450 0.001 -10.042 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.033 2.251 -9.823 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.178 3.149 -11.082 1.00 0.00 H new ATOM 969 N VAL A 66 -6.791 -1.290 -12.133 1.00 0.00 N ATOM 970 CA VAL A 66 -7.941 -0.674 -12.775 1.00 0.00 C ATOM 971 C VAL A 66 -8.627 0.299 -11.821 1.00 0.00 C ATOM 972 O VAL A 66 -8.524 0.163 -10.598 1.00 0.00 O ATOM 973 CB VAL A 66 -8.954 -1.741 -13.270 1.00 0.00 C ATOM 974 CG1 VAL A 66 -9.895 -2.185 -12.155 1.00 0.00 C ATOM 975 CG2 VAL A 66 -9.741 -1.222 -14.464 1.00 0.00 C ATOM 0 H VAL A 66 -6.954 -1.591 -11.172 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.579 -0.124 -13.644 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.383 -2.615 -13.584 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.589 -2.932 -12.540 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.315 -2.616 -11.339 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.455 -1.325 -11.787 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.445 -1.985 -14.795 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.288 -0.324 -14.177 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.055 -0.984 -15.277 1.00 0.00 H new ATOM 985 N VAL A 67 -9.302 1.289 -12.383 1.00 0.00 N ATOM 986 CA VAL A 67 -10.008 2.277 -11.587 1.00 0.00 C ATOM 987 C VAL A 67 -11.497 1.953 -11.533 1.00 0.00 C ATOM 988 O VAL A 67 -12.172 1.898 -12.566 1.00 0.00 O ATOM 989 CB VAL A 67 -9.821 3.702 -12.151 1.00 0.00 C ATOM 990 CG1 VAL A 67 -10.407 4.738 -11.204 1.00 0.00 C ATOM 991 CG2 VAL A 67 -8.352 3.991 -12.411 1.00 0.00 C ATOM 0 H VAL A 67 -9.375 1.429 -13.391 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.586 2.243 -10.583 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.355 3.762 -13.099 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.264 5.735 -11.621 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.472 4.549 -11.072 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.905 4.674 -10.239 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.244 5.000 -12.808 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.794 3.906 -11.479 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.962 3.274 -13.133 1.00 0.00 H new ATOM 1001 N SER A 68 -11.996 1.706 -10.334 1.00 0.00 N ATOM 1002 CA SER A 68 -13.401 1.407 -10.136 1.00 0.00 C ATOM 1003 C SER A 68 -14.134 2.663 -9.678 1.00 0.00 C ATOM 1004 O SER A 68 -13.503 3.639 -9.264 1.00 0.00 O ATOM 1005 CB SER A 68 -13.561 0.284 -9.111 1.00 0.00 C ATOM 1006 OG SER A 68 -12.858 -0.878 -9.525 1.00 0.00 O ATOM 0 H SER A 68 -11.442 1.707 -9.477 1.00 0.00 H new ATOM 0 HA SER A 68 -13.834 1.073 -11.079 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.188 0.614 -8.141 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.618 0.049 -8.983 1.00 0.00 H new ATOM 0 HG SER A 68 -12.971 -1.585 -8.855 1.00 0.00 H new ATOM 1012 N GLY A 69 -15.454 2.651 -9.769 1.00 0.00 N ATOM 1013 CA GLY A 69 -16.232 3.806 -9.366 1.00 0.00 C ATOM 1014 C GLY A 69 -16.555 3.784 -7.889 1.00 0.00 C ATOM 1015 O GLY A 69 -16.315 2.777 -7.215 1.00 0.00 O ATOM 0 H GLY A 69 -16.002 1.863 -10.114 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.680 4.716 -9.603 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.159 3.837 -9.939 1.00 0.00 H new ATOM 1019 N GLN A 70 -17.094 4.889 -7.386 1.00 0.00 N ATOM 1020 CA GLN A 70 -17.460 4.992 -5.978 1.00 0.00 C ATOM 1021 C GLN A 70 -18.572 4.006 -5.658 1.00 0.00 C ATOM 1022 O GLN A 70 -19.494 3.821 -6.456 1.00 0.00 O ATOM 1023 CB GLN A 70 -17.920 6.410 -5.629 1.00 0.00 C ATOM 1024 CG GLN A 70 -17.165 7.503 -6.362 1.00 0.00 C ATOM 1025 CD GLN A 70 -17.502 8.886 -5.848 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -18.576 9.114 -5.299 1.00 0.00 O ATOM 1027 NE2 GLN A 70 -16.590 9.824 -6.032 1.00 0.00 N ATOM 0 H GLN A 70 -17.288 5.728 -7.933 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.578 4.758 -5.383 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -18.982 6.502 -5.855 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -17.808 6.563 -4.556 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.093 7.332 -6.259 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.395 7.448 -7.426 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.709 9.595 -6.493 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.767 10.777 -5.713 1.00 0.00 H new ATOM 1036 N TYR A 71 -18.485 3.376 -4.502 1.00 0.00 N ATOM 1037 CA TYR A 71 -19.485 2.405 -4.091 1.00 0.00 C ATOM 1038 C TYR A 71 -19.991 2.708 -2.686 1.00 0.00 C ATOM 1039 O TYR A 71 -19.597 3.706 -2.084 1.00 0.00 O ATOM 1040 CB TYR A 71 -18.903 0.992 -4.154 1.00 0.00 C ATOM 1041 CG TYR A 71 -17.529 0.850 -3.527 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -17.298 1.203 -2.199 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -16.468 0.340 -4.261 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -16.050 1.052 -1.628 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -15.221 0.181 -3.694 1.00 0.00 C ATOM 1046 CZ TYR A 71 -15.016 0.538 -2.379 1.00 0.00 C ATOM 1047 OH TYR A 71 -13.776 0.370 -1.813 1.00 0.00 O ATOM 0 H TYR A 71 -17.732 3.518 -3.829 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.330 2.470 -4.777 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.589 0.307 -3.655 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.846 0.682 -5.197 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.108 1.601 -1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -16.621 0.063 -5.294 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -15.886 1.335 -0.599 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.408 -0.222 -4.279 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.092 0.748 -2.405 1.00 0.00 H new ATOM 1057 N ARG A 72 -20.844 1.836 -2.160 1.00 0.00 N ATOM 1058 CA ARG A 72 -21.395 2.019 -0.827 1.00 0.00 C ATOM 1059 C ARG A 72 -20.682 1.127 0.183 1.00 0.00 C ATOM 1060 O ARG A 72 -21.009 -0.052 0.332 1.00 0.00 O ATOM 1061 CB ARG A 72 -22.894 1.717 -0.817 1.00 0.00 C ATOM 1062 CG ARG A 72 -23.732 2.740 -1.564 1.00 0.00 C ATOM 1063 CD ARG A 72 -25.130 2.843 -0.974 1.00 0.00 C ATOM 1064 NE ARG A 72 -26.007 3.690 -1.778 1.00 0.00 N ATOM 1065 CZ ARG A 72 -26.354 4.935 -1.451 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -25.889 5.496 -0.340 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -27.172 5.618 -2.240 1.00 0.00 N ATOM 0 H ARG A 72 -21.168 0.995 -2.639 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.242 3.060 -0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -23.060 0.734 -1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -23.237 1.665 0.216 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -23.244 3.714 -1.522 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -23.798 2.462 -2.616 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.563 1.846 -0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -25.067 3.245 0.037 1.00 0.00 H new ATOM 0 HE ARG A 72 -26.378 3.304 -2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -25.261 4.974 0.271 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -26.160 6.449 -0.098 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.533 5.191 -3.093 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -27.440 6.571 -1.994 1.00 0.00 H new ATOM 1081 N MET A 73 -19.695 1.686 0.861 1.00 0.00 N ATOM 1082 CA MET A 73 -18.948 0.940 1.862 1.00 0.00 C ATOM 1083 C MET A 73 -19.637 1.056 3.216 1.00 0.00 C ATOM 1084 O MET A 73 -19.803 2.153 3.745 1.00 0.00 O ATOM 1085 CB MET A 73 -17.506 1.445 1.943 1.00 0.00 C ATOM 1086 CG MET A 73 -16.607 0.565 2.794 1.00 0.00 C ATOM 1087 SD MET A 73 -16.637 -1.162 2.278 1.00 0.00 S ATOM 1088 CE MET A 73 -15.941 -1.937 3.735 1.00 0.00 C ATOM 0 H MET A 73 -19.392 2.652 0.738 1.00 0.00 H new ATOM 0 HA MET A 73 -18.921 -0.110 1.572 1.00 0.00 H new ATOM 0 HB2 MET A 73 -17.093 1.507 0.936 1.00 0.00 H new ATOM 0 HB3 MET A 73 -17.505 2.456 2.351 1.00 0.00 H new ATOM 0 HG2 MET A 73 -15.584 0.938 2.741 1.00 0.00 H new ATOM 0 HG3 MET A 73 -16.918 0.634 3.836 1.00 0.00 H new ATOM 0 HE1 MET A 73 -16.129 -3.010 3.701 1.00 0.00 H new ATOM 0 HE2 MET A 73 -14.866 -1.758 3.764 1.00 0.00 H new ATOM 0 HE3 MET A 73 -16.404 -1.516 4.627 1.00 0.00 H new ATOM 1098 N LEU A 74 -20.043 -0.080 3.761 1.00 0.00 N ATOM 1099 CA LEU A 74 -20.740 -0.120 5.042 1.00 0.00 C ATOM 1100 C LEU A 74 -19.804 0.212 6.202 1.00 0.00 C ATOM 1101 O LEU A 74 -18.720 -0.360 6.321 1.00 0.00 O ATOM 1102 CB LEU A 74 -21.356 -1.505 5.255 1.00 0.00 C ATOM 1103 CG LEU A 74 -22.080 -1.705 6.590 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -23.425 -0.992 6.587 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -22.255 -3.189 6.883 1.00 0.00 C ATOM 0 H LEU A 74 -19.901 -0.995 3.334 1.00 0.00 H new ATOM 0 HA LEU A 74 -21.527 0.634 5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -22.061 -1.698 4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -20.566 -2.251 5.174 1.00 0.00 H new ATOM 0 HG LEU A 74 -21.470 -1.269 7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.921 -1.148 7.545 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.271 0.075 6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -24.047 -1.392 5.787 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -22.771 -3.314 7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -22.842 -3.650 6.089 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -21.277 -3.667 6.935 1.00 0.00 H new ATOM 1117 N ALA A 75 -20.230 1.148 7.043 1.00 0.00 N ATOM 1118 CA ALA A 75 -19.452 1.546 8.208 1.00 0.00 C ATOM 1119 C ALA A 75 -19.794 0.648 9.394 1.00 0.00 C ATOM 1120 O ALA A 75 -20.787 -0.080 9.358 1.00 0.00 O ATOM 1121 CB ALA A 75 -19.706 3.010 8.545 1.00 0.00 C ATOM 0 H ALA A 75 -21.114 1.646 6.938 1.00 0.00 H new ATOM 0 HA ALA A 75 -18.392 1.432 7.981 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.117 3.290 9.418 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.419 3.633 7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -20.765 3.155 8.760 1.00 0.00 H new ATOM 1127 N LYS A 76 -18.988 0.712 10.445 1.00 0.00 N ATOM 1128 CA LYS A 76 -19.206 -0.117 11.628 1.00 0.00 C ATOM 1129 C LYS A 76 -20.477 0.290 12.371 1.00 0.00 C ATOM 1130 O LYS A 76 -21.300 -0.557 12.719 1.00 0.00 O ATOM 1131 CB LYS A 76 -17.996 -0.030 12.564 1.00 0.00 C ATOM 1132 CG LYS A 76 -18.007 -1.058 13.686 1.00 0.00 C ATOM 1133 CD LYS A 76 -16.729 -0.995 14.510 1.00 0.00 C ATOM 1134 CE LYS A 76 -16.644 0.288 15.324 1.00 0.00 C ATOM 1135 NZ LYS A 76 -15.309 0.465 15.959 1.00 0.00 N ATOM 0 H LYS A 76 -18.177 1.328 10.505 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.330 -1.148 11.295 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.086 -0.157 11.978 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.958 0.968 13.000 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.867 -0.884 14.332 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.121 -2.057 13.265 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.686 -1.854 15.180 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.866 -1.063 13.848 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.853 1.141 14.678 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.413 0.278 16.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.397 1.096 16.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.947 -0.459 16.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.650 0.883 15.271 1.00 0.00 H new ATOM 1149 N HIS A 77 -20.639 1.587 12.605 1.00 0.00 N ATOM 1150 CA HIS A 77 -21.815 2.092 13.315 1.00 0.00 C ATOM 1151 C HIS A 77 -23.010 2.263 12.375 1.00 0.00 C ATOM 1152 O HIS A 77 -24.080 2.711 12.791 1.00 0.00 O ATOM 1153 CB HIS A 77 -21.494 3.416 14.033 1.00 0.00 C ATOM 1154 CG HIS A 77 -21.559 4.646 13.169 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -22.620 5.523 13.190 1.00 0.00 N ATOM 1156 CD2 HIS A 77 -20.678 5.153 12.274 1.00 0.00 C ATOM 1157 CE1 HIS A 77 -22.390 6.513 12.352 1.00 0.00 C ATOM 1158 NE2 HIS A 77 -21.216 6.315 11.781 1.00 0.00 N ATOM 0 H HIS A 77 -19.977 2.307 12.317 1.00 0.00 H new ATOM 0 HA HIS A 77 -22.088 1.350 14.065 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -22.189 3.538 14.864 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -20.494 3.345 14.462 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -19.727 4.722 11.999 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -23.051 7.346 12.164 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -20.781 6.925 11.088 1.00 0.00 H new ATOM 1167 N GLY A 78 -22.824 1.906 11.116 1.00 0.00 N ATOM 1168 CA GLY A 78 -23.896 2.023 10.150 1.00 0.00 C ATOM 1169 C GLY A 78 -23.634 3.100 9.123 1.00 0.00 C ATOM 1170 O GLY A 78 -22.774 3.961 9.319 1.00 0.00 O ATOM 0 H GLY A 78 -21.949 1.537 10.744 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -24.030 1.067 9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -24.828 2.241 10.671 1.00 0.00 H new ATOM 1174 N GLY A 79 -24.380 3.055 8.030 1.00 0.00 N ATOM 1175 CA GLY A 79 -24.215 4.032 6.975 1.00 0.00 C ATOM 1176 C GLY A 79 -23.303 3.529 5.874 1.00 0.00 C ATOM 1177 O GLY A 79 -22.508 2.611 6.092 1.00 0.00 O ATOM 0 H GLY A 79 -25.101 2.355 7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -25.190 4.279 6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -23.806 4.952 7.393 1.00 0.00 H new ATOM 1181 N TYR A 80 -23.420 4.113 4.692 1.00 0.00 N ATOM 1182 CA TYR A 80 -22.598 3.713 3.560 1.00 0.00 C ATOM 1183 C TYR A 80 -21.765 4.883 3.059 1.00 0.00 C ATOM 1184 O TYR A 80 -22.302 5.915 2.660 1.00 0.00 O ATOM 1185 CB TYR A 80 -23.469 3.177 2.427 1.00 0.00 C ATOM 1186 CG TYR A 80 -24.261 1.947 2.801 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -23.680 0.685 2.767 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -25.589 2.049 3.191 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -24.402 -0.441 3.112 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -26.317 0.929 3.537 1.00 0.00 C ATOM 1191 CZ TYR A 80 -25.720 -0.313 3.497 1.00 0.00 C ATOM 1192 OH TYR A 80 -26.444 -1.430 3.846 1.00 0.00 O ATOM 0 H TYR A 80 -24.077 4.867 4.491 1.00 0.00 H new ATOM 0 HA TYR A 80 -21.927 2.922 3.895 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -24.158 3.959 2.109 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -22.835 2.944 1.572 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -22.648 0.583 2.466 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -26.060 3.020 3.224 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -23.937 -1.415 3.080 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -27.350 1.025 3.838 1.00 0.00 H new ATOM 0 HH TYR A 80 -27.355 -1.166 4.093 1.00 0.00 H new ATOM 1202 N VAL A 81 -20.455 4.717 3.088 1.00 0.00 N ATOM 1203 CA VAL A 81 -19.537 5.753 2.636 1.00 0.00 C ATOM 1204 C VAL A 81 -19.179 5.537 1.171 1.00 0.00 C ATOM 1205 O VAL A 81 -18.867 4.416 0.763 1.00 0.00 O ATOM 1206 CB VAL A 81 -18.238 5.765 3.470 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -17.651 7.169 3.523 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -18.483 5.231 4.876 1.00 0.00 C ATOM 0 H VAL A 81 -19.998 3.869 3.422 1.00 0.00 H new ATOM 0 HA VAL A 81 -20.042 6.711 2.762 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.518 5.107 2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -16.736 7.159 4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -17.425 7.507 2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.371 7.847 3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.551 5.251 5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -19.224 5.853 5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.849 4.206 4.817 1.00 0.00 H new ATOM 1218 N TRP A 82 -19.229 6.603 0.386 1.00 0.00 N ATOM 1219 CA TRP A 82 -18.904 6.523 -1.033 1.00 0.00 C ATOM 1220 C TRP A 82 -17.412 6.715 -1.259 1.00 0.00 C ATOM 1221 O TRP A 82 -16.897 7.835 -1.197 1.00 0.00 O ATOM 1222 CB TRP A 82 -19.679 7.568 -1.827 1.00 0.00 C ATOM 1223 CG TRP A 82 -21.134 7.256 -1.992 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -22.151 7.626 -1.161 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -21.737 6.526 -3.065 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -23.349 7.172 -1.654 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -23.122 6.492 -2.820 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -21.240 5.901 -4.210 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -24.013 5.856 -3.679 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -22.126 5.267 -5.059 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -23.498 5.250 -4.790 1.00 0.00 C ATOM 0 H TRP A 82 -19.492 7.535 0.707 1.00 0.00 H new ATOM 0 HA TRP A 82 -19.190 5.530 -1.381 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -19.580 8.533 -1.330 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -19.226 7.669 -2.813 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -22.031 8.193 -0.249 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -24.261 7.318 -1.221 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -20.182 5.913 -4.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -25.073 5.842 -3.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -21.753 4.776 -5.946 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -24.165 4.747 -5.475 1.00 0.00 H new ATOM 1242 N LEU A 83 -16.721 5.617 -1.513 1.00 0.00 N ATOM 1243 CA LEU A 83 -15.287 5.654 -1.744 1.00 0.00 C ATOM 1244 C LEU A 83 -14.936 5.054 -3.097 1.00 0.00 C ATOM 1245 O LEU A 83 -15.532 4.059 -3.515 1.00 0.00 O ATOM 1246 CB LEU A 83 -14.551 4.885 -0.642 1.00 0.00 C ATOM 1247 CG LEU A 83 -13.936 5.743 0.465 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -15.019 6.383 1.316 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -13.008 4.906 1.331 1.00 0.00 C ATOM 0 H LEU A 83 -17.132 4.685 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 83 -14.975 6.698 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.248 4.182 -0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.758 4.295 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 83 -13.355 6.538 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -14.558 6.988 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -15.647 7.016 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -15.630 5.605 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.579 5.531 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.571 4.091 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.208 4.495 0.715 1.00 0.00 H new ATOM 1261 N GLU A 84 -13.985 5.677 -3.783 1.00 0.00 N ATOM 1262 CA GLU A 84 -13.522 5.187 -5.074 1.00 0.00 C ATOM 1263 C GLU A 84 -12.433 4.156 -4.823 1.00 0.00 C ATOM 1264 O GLU A 84 -11.926 4.062 -3.703 1.00 0.00 O ATOM 1265 CB GLU A 84 -12.978 6.332 -5.932 1.00 0.00 C ATOM 1266 CG GLU A 84 -13.754 7.631 -5.788 1.00 0.00 C ATOM 1267 CD GLU A 84 -13.394 8.646 -6.853 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -12.190 8.883 -7.070 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -14.316 9.208 -7.487 1.00 0.00 O ATOM 0 H GLU A 84 -13.518 6.526 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.354 4.738 -5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.937 6.511 -5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.990 6.027 -6.978 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.822 7.419 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.561 8.058 -4.804 1.00 0.00 H new ATOM 1276 N THR A 85 -12.058 3.385 -5.830 1.00 0.00 N ATOM 1277 CA THR A 85 -11.034 2.376 -5.627 1.00 0.00 C ATOM 1278 C THR A 85 -10.175 2.128 -6.864 1.00 0.00 C ATOM 1279 O THR A 85 -10.667 1.735 -7.921 1.00 0.00 O ATOM 1280 CB THR A 85 -11.664 1.046 -5.167 1.00 0.00 C ATOM 1281 OG1 THR A 85 -12.386 1.256 -3.948 1.00 0.00 O ATOM 1282 CG2 THR A 85 -10.602 -0.023 -4.955 1.00 0.00 C ATOM 0 H THR A 85 -12.437 3.436 -6.775 1.00 0.00 H new ATOM 0 HA THR A 85 -10.378 2.769 -4.851 1.00 0.00 H new ATOM 0 HB THR A 85 -12.343 0.700 -5.947 1.00 0.00 H new ATOM 0 HG1 THR A 85 -13.348 1.186 -4.121 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.077 -0.949 -4.631 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.069 -0.197 -5.890 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.898 0.310 -4.192 1.00 0.00 H new ATOM 1290 N GLN A 86 -8.888 2.384 -6.713 1.00 0.00 N ATOM 1291 CA GLN A 86 -7.917 2.141 -7.762 1.00 0.00 C ATOM 1292 C GLN A 86 -7.117 0.909 -7.358 1.00 0.00 C ATOM 1293 O GLN A 86 -6.069 1.009 -6.711 1.00 0.00 O ATOM 1294 CB GLN A 86 -7.007 3.356 -7.958 1.00 0.00 C ATOM 1295 CG GLN A 86 -6.065 3.235 -9.147 1.00 0.00 C ATOM 1296 CD GLN A 86 -5.468 4.566 -9.558 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -5.305 5.468 -8.737 1.00 0.00 O ATOM 1298 NE2 GLN A 86 -5.136 4.699 -10.831 1.00 0.00 N ATOM 0 H GLN A 86 -8.487 2.767 -5.857 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.416 1.972 -8.716 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.626 4.244 -8.086 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.417 3.506 -7.054 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.261 2.542 -8.899 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.606 2.808 -9.992 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.287 3.927 -11.481 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.729 5.573 -11.163 1.00 0.00 H new ATOM 1307 N GLY A 87 -7.654 -0.252 -7.696 1.00 0.00 N ATOM 1308 CA GLY A 87 -7.025 -1.503 -7.334 1.00 0.00 C ATOM 1309 C GLY A 87 -5.726 -1.748 -8.062 1.00 0.00 C ATOM 1310 O GLY A 87 -5.715 -1.928 -9.277 1.00 0.00 O ATOM 0 H GLY A 87 -8.524 -0.350 -8.220 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.839 -1.511 -6.260 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.712 -2.322 -7.545 1.00 0.00 H new ATOM 1314 N THR A 88 -4.634 -1.736 -7.317 1.00 0.00 N ATOM 1315 CA THR A 88 -3.320 -1.980 -7.877 1.00 0.00 C ATOM 1316 C THR A 88 -2.803 -3.334 -7.401 1.00 0.00 C ATOM 1317 O THR A 88 -2.229 -3.451 -6.318 1.00 0.00 O ATOM 1318 CB THR A 88 -2.329 -0.872 -7.475 1.00 0.00 C ATOM 1319 OG1 THR A 88 -2.966 0.409 -7.582 1.00 0.00 O ATOM 1320 CG2 THR A 88 -1.092 -0.906 -8.360 1.00 0.00 C ATOM 0 H THR A 88 -4.635 -1.558 -6.313 1.00 0.00 H new ATOM 0 HA THR A 88 -3.406 -1.980 -8.964 1.00 0.00 H new ATOM 0 HB THR A 88 -2.020 -1.042 -6.443 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.296 1.091 -7.798 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.406 -0.114 -8.058 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.598 -1.872 -8.258 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.384 -0.756 -9.399 1.00 0.00 H new ATOM 1328 N VAL A 89 -3.040 -4.359 -8.203 1.00 0.00 N ATOM 1329 CA VAL A 89 -2.619 -5.709 -7.870 1.00 0.00 C ATOM 1330 C VAL A 89 -1.178 -5.959 -8.298 1.00 0.00 C ATOM 1331 O VAL A 89 -0.891 -6.170 -9.479 1.00 0.00 O ATOM 1332 CB VAL A 89 -3.539 -6.761 -8.528 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -3.103 -8.171 -8.162 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -4.985 -6.533 -8.122 1.00 0.00 C ATOM 0 H VAL A 89 -3.526 -4.280 -9.096 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.689 -5.806 -6.787 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.458 -6.650 -9.609 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.767 -8.892 -8.638 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.082 -8.337 -8.505 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.147 -8.296 -7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.618 -7.283 -8.595 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.076 -6.612 -7.039 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.300 -5.539 -8.441 1.00 0.00 H new ATOM 1344 N ILE A 90 -0.273 -5.908 -7.337 1.00 0.00 N ATOM 1345 CA ILE A 90 1.133 -6.146 -7.603 1.00 0.00 C ATOM 1346 C ILE A 90 1.466 -7.600 -7.298 1.00 0.00 C ATOM 1347 O ILE A 90 1.048 -8.142 -6.273 1.00 0.00 O ATOM 1348 CB ILE A 90 2.032 -5.208 -6.768 1.00 0.00 C ATOM 1349 CG1 ILE A 90 1.723 -3.746 -7.099 1.00 0.00 C ATOM 1350 CG2 ILE A 90 3.506 -5.508 -7.007 1.00 0.00 C ATOM 1351 CD1 ILE A 90 1.920 -3.398 -8.561 1.00 0.00 C ATOM 0 H ILE A 90 -0.489 -5.703 -6.361 1.00 0.00 H new ATOM 0 HA ILE A 90 1.325 -5.937 -8.655 1.00 0.00 H new ATOM 0 HB ILE A 90 1.820 -5.382 -5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.692 -3.529 -6.819 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.360 -3.103 -6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.117 -4.833 -6.407 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.718 -6.539 -6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.740 -5.367 -8.062 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.682 -2.346 -8.720 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.957 -3.582 -8.842 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.263 -4.015 -9.174 1.00 0.00 H new ATOM 1363 N TYR A 91 2.192 -8.240 -8.195 1.00 0.00 N ATOM 1364 CA TYR A 91 2.558 -9.632 -8.010 1.00 0.00 C ATOM 1365 C TYR A 91 3.888 -9.742 -7.280 1.00 0.00 C ATOM 1366 O TYR A 91 4.824 -8.989 -7.558 1.00 0.00 O ATOM 1367 CB TYR A 91 2.634 -10.356 -9.359 1.00 0.00 C ATOM 1368 CG TYR A 91 1.464 -10.067 -10.276 1.00 0.00 C ATOM 1369 CD1 TYR A 91 0.159 -10.337 -9.880 1.00 0.00 C ATOM 1370 CD2 TYR A 91 1.667 -9.522 -11.537 1.00 0.00 C ATOM 1371 CE1 TYR A 91 -0.910 -10.071 -10.714 1.00 0.00 C ATOM 1372 CE2 TYR A 91 0.603 -9.254 -12.378 1.00 0.00 C ATOM 1373 CZ TYR A 91 -0.683 -9.530 -11.962 1.00 0.00 C ATOM 1374 OH TYR A 91 -1.747 -9.258 -12.795 1.00 0.00 O ATOM 0 H TYR A 91 2.539 -7.820 -9.057 1.00 0.00 H new ATOM 0 HA TYR A 91 1.787 -10.108 -7.404 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.557 -10.070 -9.863 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.688 -11.430 -9.182 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.022 -10.762 -8.904 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.672 -9.304 -11.866 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.918 -10.286 -10.390 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.778 -8.831 -13.356 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.557 -9.681 -12.440 1.00 0.00 H new ATOM 1384 N ASN A 92 3.955 -10.663 -6.327 1.00 0.00 N ATOM 1385 CA ASN A 92 5.176 -10.890 -5.563 1.00 0.00 C ATOM 1386 C ASN A 92 6.156 -11.681 -6.420 1.00 0.00 C ATOM 1387 O ASN A 92 5.880 -12.820 -6.780 1.00 0.00 O ATOM 1388 CB ASN A 92 4.864 -11.647 -4.265 1.00 0.00 C ATOM 1389 CG ASN A 92 6.060 -11.750 -3.330 1.00 0.00 C ATOM 1390 OD1 ASN A 92 7.212 -11.798 -3.761 1.00 0.00 O ATOM 1391 ND2 ASN A 92 5.791 -11.796 -2.034 1.00 0.00 N ATOM 0 H ASN A 92 3.176 -11.267 -6.064 1.00 0.00 H new ATOM 0 HA ASN A 92 5.620 -9.932 -5.294 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.047 -11.145 -3.746 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.516 -12.650 -4.511 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.551 -11.874 -1.358 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.824 -11.754 -1.712 1.00 0.00 H new ATOM 1398 N PRO A 93 7.313 -11.090 -6.744 1.00 0.00 N ATOM 1399 CA PRO A 93 8.335 -11.721 -7.595 1.00 0.00 C ATOM 1400 C PRO A 93 8.874 -13.042 -7.048 1.00 0.00 C ATOM 1401 O PRO A 93 9.492 -13.812 -7.782 1.00 0.00 O ATOM 1402 CB PRO A 93 9.455 -10.675 -7.653 1.00 0.00 C ATOM 1403 CG PRO A 93 9.211 -9.780 -6.488 1.00 0.00 C ATOM 1404 CD PRO A 93 7.727 -9.752 -6.300 1.00 0.00 C ATOM 0 HA PRO A 93 7.915 -11.987 -8.565 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.437 -11.145 -7.590 1.00 0.00 H new ATOM 0 HB3 PRO A 93 9.427 -10.119 -8.590 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.711 -10.155 -5.595 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.601 -8.779 -6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.455 -9.570 -5.260 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.260 -8.967 -6.894 1.00 0.00 H new ATOM 1412 N ARG A 94 8.634 -13.317 -5.773 1.00 0.00 N ATOM 1413 CA ARG A 94 9.119 -14.548 -5.166 1.00 0.00 C ATOM 1414 C ARG A 94 8.308 -15.762 -5.621 1.00 0.00 C ATOM 1415 O ARG A 94 8.828 -16.877 -5.655 1.00 0.00 O ATOM 1416 CB ARG A 94 9.109 -14.447 -3.638 1.00 0.00 C ATOM 1417 CG ARG A 94 10.237 -13.591 -3.086 1.00 0.00 C ATOM 1418 CD ARG A 94 10.490 -13.882 -1.615 1.00 0.00 C ATOM 1419 NE ARG A 94 11.768 -13.337 -1.158 1.00 0.00 N ATOM 1420 CZ ARG A 94 12.753 -14.079 -0.643 1.00 0.00 C ATOM 1421 NH1 ARG A 94 12.625 -15.400 -0.564 1.00 0.00 N ATOM 1422 NH2 ARG A 94 13.873 -13.503 -0.215 1.00 0.00 N ATOM 0 H ARG A 94 8.110 -12.709 -5.143 1.00 0.00 H new ATOM 0 HA ARG A 94 10.147 -14.687 -5.501 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.155 -14.031 -3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.181 -15.449 -3.214 1.00 0.00 H new ATOM 0 HG2 ARG A 94 11.147 -13.776 -3.656 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.990 -12.537 -3.212 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.682 -13.459 -1.018 1.00 0.00 H new ATOM 0 HD3 ARG A 94 10.477 -14.960 -1.452 1.00 0.00 H new ATOM 0 HE ARG A 94 11.916 -12.331 -1.237 1.00 0.00 H new ATOM 0 HH11 ARG A 94 11.773 -15.851 -0.897 1.00 0.00 H new ATOM 0 HH12 ARG A 94 13.379 -15.963 -0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 94 13.983 -12.491 -0.279 1.00 0.00 H new ATOM 0 HH22 ARG A 94 14.622 -14.073 0.177 1.00 0.00 H new ATOM 1436 N ASN A 95 7.045 -15.554 -5.985 1.00 0.00 N ATOM 1437 CA ASN A 95 6.196 -16.666 -6.423 1.00 0.00 C ATOM 1438 C ASN A 95 5.371 -16.295 -7.660 1.00 0.00 C ATOM 1439 O ASN A 95 4.725 -17.150 -8.269 1.00 0.00 O ATOM 1440 CB ASN A 95 5.271 -17.105 -5.280 1.00 0.00 C ATOM 1441 CG ASN A 95 4.591 -18.437 -5.549 1.00 0.00 C ATOM 1442 OD1 ASN A 95 3.445 -18.485 -5.995 1.00 0.00 O ATOM 1443 ND2 ASN A 95 5.291 -19.527 -5.277 1.00 0.00 N ATOM 0 H ASN A 95 6.589 -14.641 -5.987 1.00 0.00 H new ATOM 0 HA ASN A 95 6.848 -17.495 -6.697 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.849 -17.177 -4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.511 -16.340 -5.120 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.883 -20.448 -5.436 1.00 0.00 H new ATOM 0 HD22 ASN A 95 6.239 -19.446 -4.908 1.00 0.00 H new ATOM 1450 N LEU A 96 5.412 -15.018 -8.029 1.00 0.00 N ATOM 1451 CA LEU A 96 4.677 -14.494 -9.183 1.00 0.00 C ATOM 1452 C LEU A 96 3.174 -14.674 -8.997 1.00 0.00 C ATOM 1453 O LEU A 96 2.477 -15.193 -9.870 1.00 0.00 O ATOM 1454 CB LEU A 96 5.148 -15.149 -10.487 1.00 0.00 C ATOM 1455 CG LEU A 96 6.037 -14.266 -11.367 1.00 0.00 C ATOM 1456 CD1 LEU A 96 5.285 -13.015 -11.792 1.00 0.00 C ATOM 1457 CD2 LEU A 96 7.316 -13.891 -10.636 1.00 0.00 C ATOM 0 H LEU A 96 5.958 -14.312 -7.535 1.00 0.00 H new ATOM 0 HA LEU A 96 4.886 -13.426 -9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.694 -16.060 -10.242 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.272 -15.447 -11.064 1.00 0.00 H new ATOM 0 HG LEU A 96 6.306 -14.832 -12.259 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.930 -12.397 -12.417 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.397 -13.299 -12.356 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.988 -12.451 -10.908 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.932 -13.264 -11.280 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.068 -13.344 -9.726 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.866 -14.796 -10.377 1.00 0.00 H new ATOM 1469 N GLN A 97 2.686 -14.228 -7.849 1.00 0.00 N ATOM 1470 CA GLN A 97 1.273 -14.329 -7.520 1.00 0.00 C ATOM 1471 C GLN A 97 0.749 -12.987 -7.018 1.00 0.00 C ATOM 1472 O GLN A 97 1.511 -12.190 -6.461 1.00 0.00 O ATOM 1473 CB GLN A 97 1.058 -15.408 -6.454 1.00 0.00 C ATOM 1474 CG GLN A 97 1.733 -15.101 -5.127 1.00 0.00 C ATOM 1475 CD GLN A 97 1.448 -16.146 -4.066 1.00 0.00 C ATOM 1476 OE1 GLN A 97 0.404 -16.798 -4.081 1.00 0.00 O ATOM 1477 NE2 GLN A 97 2.376 -16.310 -3.137 1.00 0.00 N ATOM 0 H GLN A 97 3.254 -13.789 -7.124 1.00 0.00 H new ATOM 0 HA GLN A 97 0.723 -14.605 -8.420 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.012 -15.533 -6.287 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.434 -16.359 -6.831 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.810 -15.030 -5.280 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.397 -14.127 -4.771 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.227 -15.748 -3.162 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.240 -16.998 -2.396 1.00 0.00 H new ATOM 1486 N PRO A 98 -0.550 -12.708 -7.232 1.00 0.00 N ATOM 1487 CA PRO A 98 -1.182 -11.463 -6.781 1.00 0.00 C ATOM 1488 C PRO A 98 -1.269 -11.398 -5.261 1.00 0.00 C ATOM 1489 O PRO A 98 -2.264 -11.806 -4.660 1.00 0.00 O ATOM 1490 CB PRO A 98 -2.581 -11.522 -7.402 1.00 0.00 C ATOM 1491 CG PRO A 98 -2.838 -12.970 -7.628 1.00 0.00 C ATOM 1492 CD PRO A 98 -1.504 -13.581 -7.943 1.00 0.00 C ATOM 0 HA PRO A 98 -0.617 -10.580 -7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -3.327 -11.087 -6.737 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -2.622 -10.963 -8.337 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -3.280 -13.431 -6.744 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.539 -13.119 -8.449 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.442 -14.612 -7.594 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -1.312 -13.596 -9.016 1.00 0.00 H new ATOM 1500 N GLN A 99 -0.216 -10.900 -4.640 1.00 0.00 N ATOM 1501 CA GLN A 99 -0.166 -10.803 -3.192 1.00 0.00 C ATOM 1502 C GLN A 99 -0.262 -9.355 -2.735 1.00 0.00 C ATOM 1503 O GLN A 99 -0.960 -9.043 -1.774 1.00 0.00 O ATOM 1504 CB GLN A 99 1.129 -11.426 -2.669 1.00 0.00 C ATOM 1505 CG GLN A 99 0.991 -12.069 -1.298 1.00 0.00 C ATOM 1506 CD GLN A 99 2.297 -12.653 -0.795 1.00 0.00 C ATOM 1507 OE1 GLN A 99 3.184 -12.994 -1.579 1.00 0.00 O ATOM 1508 NE2 GLN A 99 2.421 -12.783 0.516 1.00 0.00 N ATOM 0 H GLN A 99 0.618 -10.556 -5.116 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.020 -11.347 -2.788 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.472 -12.178 -3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.899 -10.656 -2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.631 -11.326 -0.586 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.239 -12.856 -1.344 1.00 0.00 H new ATOM 0 HE21 GLN A 99 1.663 -12.488 1.132 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.275 -13.178 0.911 1.00 0.00 H new ATOM 1517 N CYS A 100 0.426 -8.472 -3.435 1.00 0.00 N ATOM 1518 CA CYS A 100 0.433 -7.063 -3.083 1.00 0.00 C ATOM 1519 C CYS A 100 -0.745 -6.329 -3.720 1.00 0.00 C ATOM 1520 O CYS A 100 -0.564 -5.421 -4.530 1.00 0.00 O ATOM 1521 CB CYS A 100 1.759 -6.432 -3.513 1.00 0.00 C ATOM 1522 SG CYS A 100 3.166 -7.568 -3.433 1.00 0.00 S ATOM 0 H CYS A 100 0.989 -8.706 -4.253 1.00 0.00 H new ATOM 0 HA CYS A 100 0.329 -6.974 -2.002 1.00 0.00 H new ATOM 0 HB2 CYS A 100 1.661 -6.061 -4.533 1.00 0.00 H new ATOM 0 HB3 CYS A 100 1.963 -5.570 -2.879 1.00 0.00 H new ATOM 0 HG CYS A 100 3.291 -8.019 -2.220 1.00 0.00 H new ATOM 1528 N ILE A 101 -1.954 -6.739 -3.363 1.00 0.00 N ATOM 1529 CA ILE A 101 -3.155 -6.104 -3.886 1.00 0.00 C ATOM 1530 C ILE A 101 -3.442 -4.838 -3.094 1.00 0.00 C ATOM 1531 O ILE A 101 -4.025 -4.891 -2.011 1.00 0.00 O ATOM 1532 CB ILE A 101 -4.381 -7.042 -3.815 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -4.094 -8.351 -4.555 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -5.614 -6.357 -4.397 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -5.202 -9.375 -4.435 1.00 0.00 C ATOM 0 H ILE A 101 -2.129 -7.507 -2.715 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.977 -5.865 -4.935 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.580 -7.273 -2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.926 -8.132 -5.610 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.170 -8.781 -4.168 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.467 -7.033 -4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.829 -5.451 -3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.428 -6.097 -5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.927 -10.275 -4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -5.355 -9.624 -3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.123 -8.965 -4.849 1.00 0.00 H new ATOM 1547 N MET A 102 -3.005 -3.708 -3.621 1.00 0.00 N ATOM 1548 CA MET A 102 -3.200 -2.436 -2.950 1.00 0.00 C ATOM 1549 C MET A 102 -4.323 -1.645 -3.603 1.00 0.00 C ATOM 1550 O MET A 102 -4.142 -1.038 -4.659 1.00 0.00 O ATOM 1551 CB MET A 102 -1.905 -1.623 -2.964 1.00 0.00 C ATOM 1552 CG MET A 102 -0.713 -2.376 -2.396 1.00 0.00 C ATOM 1553 SD MET A 102 0.818 -1.428 -2.474 1.00 0.00 S ATOM 1554 CE MET A 102 0.871 -1.005 -4.216 1.00 0.00 C ATOM 0 H MET A 102 -2.513 -3.646 -4.512 1.00 0.00 H new ATOM 0 HA MET A 102 -3.479 -2.637 -1.916 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.683 -1.326 -3.989 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.053 -0.707 -2.391 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.918 -2.641 -1.359 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.585 -3.309 -2.944 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.897 -0.776 -4.504 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.508 -1.847 -4.806 1.00 0.00 H new ATOM 0 HE3 MET A 102 0.240 -0.135 -4.399 1.00 0.00 H new ATOM 1564 N CYS A 103 -5.488 -1.681 -2.985 1.00 0.00 N ATOM 1565 CA CYS A 103 -6.640 -0.958 -3.485 1.00 0.00 C ATOM 1566 C CYS A 103 -6.632 0.461 -2.931 1.00 0.00 C ATOM 1567 O CYS A 103 -6.862 0.673 -1.740 1.00 0.00 O ATOM 1568 CB CYS A 103 -7.931 -1.674 -3.083 1.00 0.00 C ATOM 1569 SG CYS A 103 -7.973 -3.431 -3.521 1.00 0.00 S ATOM 0 H CYS A 103 -5.661 -2.208 -2.129 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.591 -0.918 -4.573 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -8.067 -1.576 -2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.774 -1.172 -3.558 1.00 0.00 H new ATOM 0 HG CYS A 103 -9.103 -3.947 -3.138 1.00 0.00 H new ATOM 1575 N VAL A 104 -6.321 1.421 -3.786 1.00 0.00 N ATOM 1576 CA VAL A 104 -6.282 2.815 -3.379 1.00 0.00 C ATOM 1577 C VAL A 104 -7.692 3.384 -3.322 1.00 0.00 C ATOM 1578 O VAL A 104 -8.323 3.616 -4.353 1.00 0.00 O ATOM 1579 CB VAL A 104 -5.418 3.655 -4.339 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -5.270 5.081 -3.831 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -4.055 3.009 -4.524 1.00 0.00 C ATOM 0 H VAL A 104 -6.092 1.260 -4.767 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.832 2.861 -2.387 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.920 3.693 -5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.656 5.653 -4.526 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.254 5.543 -3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.794 5.070 -2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.455 3.613 -5.205 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.551 2.940 -3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.180 2.009 -4.940 1.00 0.00 H new ATOM 1591 N ASN A 105 -8.184 3.592 -2.114 1.00 0.00 N ATOM 1592 CA ASN A 105 -9.525 4.114 -1.915 1.00 0.00 C ATOM 1593 C ASN A 105 -9.509 5.628 -1.799 1.00 0.00 C ATOM 1594 O ASN A 105 -8.822 6.195 -0.945 1.00 0.00 O ATOM 1595 CB ASN A 105 -10.170 3.500 -0.670 1.00 0.00 C ATOM 1596 CG ASN A 105 -10.887 2.198 -0.970 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -10.448 1.409 -1.804 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -12.001 1.969 -0.294 1.00 0.00 N ATOM 0 H ASN A 105 -7.672 3.406 -1.251 1.00 0.00 H new ATOM 0 HA ASN A 105 -10.119 3.840 -2.787 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.402 3.323 0.083 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -10.878 4.211 -0.243 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -12.529 1.112 -0.457 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -12.332 2.650 0.390 1.00 0.00 H new ATOM 1605 N TYR A 106 -10.270 6.275 -2.664 1.00 0.00 N ATOM 1606 CA TYR A 106 -10.360 7.724 -2.676 1.00 0.00 C ATOM 1607 C TYR A 106 -11.642 8.173 -1.990 1.00 0.00 C ATOM 1608 O TYR A 106 -12.739 7.799 -2.407 1.00 0.00 O ATOM 1609 CB TYR A 106 -10.324 8.250 -4.112 1.00 0.00 C ATOM 1610 CG TYR A 106 -9.014 8.003 -4.826 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -8.787 6.822 -5.523 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -8.005 8.956 -4.810 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -7.592 6.600 -6.181 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -6.810 8.743 -5.467 1.00 0.00 C ATOM 1615 CZ TYR A 106 -6.607 7.564 -6.150 1.00 0.00 C ATOM 1616 OH TYR A 106 -5.415 7.352 -6.808 1.00 0.00 O ATOM 0 H TYR A 106 -10.840 5.814 -3.374 1.00 0.00 H new ATOM 0 HA TYR A 106 -9.505 8.129 -2.134 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -11.129 7.782 -4.679 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -10.523 9.322 -4.100 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.557 6.065 -5.551 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.158 9.881 -4.274 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -7.431 5.676 -6.717 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -6.037 9.497 -5.446 1.00 0.00 H new ATOM 0 HH TYR A 106 -5.578 6.828 -7.620 1.00 0.00 H new ATOM 1626 N VAL A 107 -11.505 8.959 -0.933 1.00 0.00 N ATOM 1627 CA VAL A 107 -12.663 9.448 -0.198 1.00 0.00 C ATOM 1628 C VAL A 107 -13.109 10.797 -0.743 1.00 0.00 C ATOM 1629 O VAL A 107 -12.486 11.825 -0.474 1.00 0.00 O ATOM 1630 CB VAL A 107 -12.368 9.584 1.311 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -13.658 9.769 2.097 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -11.593 8.378 1.822 1.00 0.00 C ATOM 0 H VAL A 107 -10.606 9.272 -0.565 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.459 8.715 -0.330 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.750 10.470 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.427 9.863 3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -14.166 10.671 1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -14.306 8.906 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -11.397 8.496 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.179 7.473 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -10.647 8.299 1.286 1.00 0.00 H new ATOM 1642 N LEU A 108 -14.174 10.793 -1.527 1.00 0.00 N ATOM 1643 CA LEU A 108 -14.687 12.024 -2.101 1.00 0.00 C ATOM 1644 C LEU A 108 -16.014 12.401 -1.465 1.00 0.00 C ATOM 1645 O LEU A 108 -16.216 13.550 -1.075 1.00 0.00 O ATOM 1646 CB LEU A 108 -14.835 11.894 -3.617 1.00 0.00 C ATOM 1647 CG LEU A 108 -13.678 12.486 -4.422 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -13.875 12.233 -5.904 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -13.548 13.976 -4.150 1.00 0.00 C ATOM 0 H LEU A 108 -14.698 9.955 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 108 -13.970 12.819 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.934 10.838 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.760 12.383 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.756 11.996 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.041 12.662 -6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.919 11.159 -6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.806 12.696 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.720 14.381 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.472 14.480 -4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -13.359 14.137 -3.089 1.00 0.00 H new ATOM 1661 N SER A 109 -16.909 11.434 -1.351 1.00 0.00 N ATOM 1662 CA SER A 109 -18.211 11.677 -0.757 1.00 0.00 C ATOM 1663 C SER A 109 -18.178 11.388 0.742 1.00 0.00 C ATOM 1664 O SER A 109 -17.138 11.015 1.290 1.00 0.00 O ATOM 1665 CB SER A 109 -19.268 10.816 -1.441 1.00 0.00 C ATOM 1666 OG SER A 109 -19.052 10.763 -2.841 1.00 0.00 O ATOM 0 H SER A 109 -16.757 10.474 -1.662 1.00 0.00 H new ATOM 0 HA SER A 109 -18.468 12.727 -0.898 1.00 0.00 H new ATOM 0 HB2 SER A 109 -19.244 9.808 -1.027 1.00 0.00 H new ATOM 0 HB3 SER A 109 -20.259 11.221 -1.237 1.00 0.00 H new ATOM 0 HG SER A 109 -18.918 9.832 -3.116 1.00 0.00 H new ATOM 1672 N GLU A 110 -19.315 11.563 1.397 1.00 0.00 N ATOM 1673 CA GLU A 110 -19.423 11.337 2.830 1.00 0.00 C ATOM 1674 C GLU A 110 -20.172 10.039 3.114 1.00 0.00 C ATOM 1675 O GLU A 110 -20.360 9.212 2.220 1.00 0.00 O ATOM 1676 CB GLU A 110 -20.133 12.522 3.502 1.00 0.00 C ATOM 1677 CG GLU A 110 -21.557 12.763 3.011 1.00 0.00 C ATOM 1678 CD GLU A 110 -21.610 13.335 1.609 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -21.364 14.545 1.443 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -21.886 12.571 0.662 1.00 0.00 O ATOM 0 H GLU A 110 -20.183 11.864 0.954 1.00 0.00 H new ATOM 0 HA GLU A 110 -18.418 11.250 3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -20.156 12.353 4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -19.546 13.425 3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -22.108 11.823 3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -22.061 13.445 3.695 1.00 0.00 H new ATOM 1687 N ILE A 111 -20.595 9.865 4.358 1.00 0.00 N ATOM 1688 CA ILE A 111 -21.322 8.672 4.756 1.00 0.00 C ATOM 1689 C ILE A 111 -22.820 8.912 4.640 1.00 0.00 C ATOM 1690 O ILE A 111 -23.345 9.883 5.188 1.00 0.00 O ATOM 1691 CB ILE A 111 -20.987 8.259 6.205 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -19.478 8.361 6.452 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -21.487 6.847 6.483 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -19.065 8.010 7.864 1.00 0.00 C ATOM 0 H ILE A 111 -20.446 10.538 5.110 1.00 0.00 H new ATOM 0 HA ILE A 111 -21.019 7.865 4.089 1.00 0.00 H new ATOM 0 HB ILE A 111 -21.492 8.941 6.889 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -18.960 7.700 5.757 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -19.151 9.377 6.230 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -21.243 6.570 7.509 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -22.567 6.810 6.344 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -21.008 6.150 5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -17.984 8.106 7.961 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -19.554 8.687 8.565 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -19.360 6.984 8.085 1.00 0.00 H new ATOM 1706 N GLU A 112 -23.499 8.048 3.909 1.00 0.00 N ATOM 1707 CA GLU A 112 -24.934 8.170 3.729 1.00 0.00 C ATOM 1708 C GLU A 112 -25.650 7.071 4.489 1.00 0.00 C ATOM 1709 O GLU A 112 -25.364 5.887 4.224 1.00 0.00 O ATOM 1710 CB GLU A 112 -25.299 8.102 2.250 1.00 0.00 C ATOM 1711 CG GLU A 112 -24.593 9.149 1.414 1.00 0.00 C ATOM 1712 CD GLU A 112 -25.165 9.266 0.021 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -25.659 8.252 -0.515 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -25.120 10.377 -0.547 1.00 0.00 O ATOM 1715 OXT GLU A 112 -26.493 7.394 5.347 1.00 0.00 O ATOM 0 H GLU A 112 -23.079 7.252 3.429 1.00 0.00 H new ATOM 0 HA GLU A 112 -25.248 9.138 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -25.052 7.112 1.866 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -26.377 8.226 2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -24.664 10.115 1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -23.534 8.901 1.348 1.00 0.00 H new ATOM 1723 N CYS B 7 5.188 -16.263 11.454 1.00 1.33 N ATOM 1724 CA CYS B 7 6.136 -15.845 10.401 1.00 1.38 C ATOM 1725 C CYS B 7 5.536 -14.729 9.555 1.00 1.15 C ATOM 1726 O CYS B 7 4.316 -14.568 9.502 1.00 1.28 O ATOM 1727 CB CYS B 7 6.507 -17.038 9.521 1.00 1.79 C ATOM 1728 SG CYS B 7 5.335 -18.413 9.600 1.00 2.58 S ATOM 0 HA CYS B 7 7.040 -15.467 10.878 1.00 1.38 H new ATOM 0 HB2 CYS B 7 6.586 -16.702 8.487 1.00 1.79 H new ATOM 0 HB3 CYS B 7 7.493 -17.399 9.815 1.00 1.79 H new ATOM 0 HG CYS B 7 4.418 -18.151 10.484 1.00 2.58 H new ATOM 1736 N GLN B 8 6.393 -13.946 8.916 1.00 0.90 N ATOM 1737 CA GLN B 8 5.949 -12.841 8.077 1.00 0.76 C ATOM 1738 C GLN B 8 6.613 -12.923 6.704 1.00 0.65 C ATOM 1739 O GLN B 8 7.756 -13.372 6.590 1.00 0.64 O ATOM 1740 CB GLN B 8 6.286 -11.497 8.739 1.00 0.71 C ATOM 1741 CG GLN B 8 5.638 -11.292 10.102 1.00 0.89 C ATOM 1742 CD GLN B 8 4.171 -10.917 10.010 1.00 1.17 C ATOM 1743 OE1 GLN B 8 3.818 -9.736 9.988 1.00 1.79 O ATOM 1744 NE2 GLN B 8 3.305 -11.916 9.953 1.00 1.90 N ATOM 0 H GLN B 8 7.406 -14.056 8.963 1.00 0.90 H new ATOM 0 HA GLN B 8 4.868 -12.912 7.955 1.00 0.76 H new ATOM 0 HB2 GLN B 8 7.368 -11.420 8.848 1.00 0.71 H new ATOM 0 HB3 GLN B 8 5.974 -10.690 8.076 1.00 0.71 H new ATOM 0 HG2 GLN B 8 5.738 -12.206 10.687 1.00 0.89 H new ATOM 0 HG3 GLN B 8 6.174 -10.510 10.639 1.00 0.89 H new ATOM 0 HE21 GLN B 8 3.637 -12.880 9.974 1.00 1.90 H new ATOM 0 HE22 GLN B 8 2.306 -11.722 9.888 1.00 1.90 H new ATOM 1753 N PRO B 9 5.901 -12.515 5.645 1.00 0.64 N ATOM 1754 CA PRO B 9 6.433 -12.530 4.280 1.00 0.56 C ATOM 1755 C PRO B 9 7.564 -11.521 4.097 1.00 0.44 C ATOM 1756 O PRO B 9 7.634 -10.516 4.809 1.00 0.38 O ATOM 1757 CB PRO B 9 5.230 -12.144 3.406 1.00 0.61 C ATOM 1758 CG PRO B 9 4.036 -12.294 4.287 1.00 0.75 C ATOM 1759 CD PRO B 9 4.517 -12.032 5.684 1.00 0.77 C ATOM 0 HA PRO B 9 6.859 -13.500 4.025 1.00 0.56 H new ATOM 0 HB2 PRO B 9 5.322 -11.121 3.040 1.00 0.61 H new ATOM 0 HB3 PRO B 9 5.156 -12.790 2.531 1.00 0.61 H new ATOM 0 HG2 PRO B 9 3.253 -11.590 4.006 1.00 0.75 H new ATOM 0 HG3 PRO B 9 3.611 -13.294 4.202 1.00 0.75 H new ATOM 0 HD2 PRO B 9 4.465 -10.973 5.938 1.00 0.77 H new ATOM 0 HD3 PRO B 9 3.922 -12.567 6.424 1.00 0.77 H new ATOM 1767 N THR B 10 8.443 -11.790 3.141 1.00 0.43 N ATOM 1768 CA THR B 10 9.568 -10.908 2.857 1.00 0.37 C ATOM 1769 C THR B 10 9.133 -9.721 1.989 1.00 0.31 C ATOM 1770 O THR B 10 9.717 -9.446 0.937 1.00 0.39 O ATOM 1771 CB THR B 10 10.702 -11.682 2.159 1.00 0.46 C ATOM 1772 OG1 THR B 10 10.592 -13.080 2.462 1.00 0.88 O ATOM 1773 CG2 THR B 10 12.064 -11.179 2.611 1.00 0.62 C ATOM 0 H THR B 10 8.398 -12.617 2.546 1.00 0.43 H new ATOM 0 HA THR B 10 9.936 -10.523 3.808 1.00 0.37 H new ATOM 0 HB THR B 10 10.610 -11.524 1.084 1.00 0.46 H new ATOM 0 HG1 THR B 10 11.314 -13.569 2.015 1.00 0.88 H new ATOM 0 HG21 THR B 10 12.847 -11.742 2.103 1.00 0.62 H new ATOM 0 HG22 THR B 10 12.161 -10.121 2.366 1.00 0.62 H new ATOM 0 HG23 THR B 10 12.162 -11.312 3.688 1.00 0.62 H new ATOM 1781 N GLU B 11 8.103 -9.028 2.453 1.00 0.30 N ATOM 1782 CA GLU B 11 7.553 -7.871 1.766 1.00 0.31 C ATOM 1783 C GLU B 11 6.821 -7.007 2.781 1.00 0.27 C ATOM 1784 O GLU B 11 6.214 -7.537 3.710 1.00 0.31 O ATOM 1785 CB GLU B 11 6.591 -8.320 0.654 1.00 0.45 C ATOM 1786 CG GLU B 11 5.958 -7.175 -0.129 1.00 1.13 C ATOM 1787 CD GLU B 11 4.455 -7.108 0.047 1.00 1.36 C ATOM 1788 OE1 GLU B 11 3.741 -7.961 -0.519 1.00 1.65 O ATOM 1789 OE2 GLU B 11 3.971 -6.204 0.759 1.00 1.83 O ATOM 0 H GLU B 11 7.623 -9.256 3.324 1.00 0.30 H new ATOM 0 HA GLU B 11 8.357 -7.297 1.306 1.00 0.31 H new ATOM 0 HB2 GLU B 11 7.132 -8.964 -0.040 1.00 0.45 H new ATOM 0 HB3 GLU B 11 5.799 -8.923 1.097 1.00 0.45 H new ATOM 0 HG2 GLU B 11 6.400 -6.232 0.193 1.00 1.13 H new ATOM 0 HG3 GLU B 11 6.191 -7.291 -1.187 1.00 1.13 H new ATOM 1796 N PHE B 12 6.898 -5.692 2.631 1.00 0.30 N ATOM 1797 CA PHE B 12 6.216 -4.790 3.551 1.00 0.30 C ATOM 1798 C PHE B 12 5.918 -3.448 2.886 1.00 0.27 C ATOM 1799 O PHE B 12 6.651 -3.002 2.002 1.00 0.33 O ATOM 1800 CB PHE B 12 7.032 -4.598 4.840 1.00 0.35 C ATOM 1801 CG PHE B 12 8.288 -3.780 4.692 1.00 0.34 C ATOM 1802 CD1 PHE B 12 9.468 -4.367 4.268 1.00 0.39 C ATOM 1803 CD2 PHE B 12 8.291 -2.429 5.001 1.00 0.42 C ATOM 1804 CE1 PHE B 12 10.626 -3.625 4.149 1.00 0.42 C ATOM 1805 CE2 PHE B 12 9.448 -1.681 4.886 1.00 0.45 C ATOM 1806 CZ PHE B 12 10.616 -2.280 4.459 1.00 0.40 C ATOM 0 H PHE B 12 7.421 -5.228 1.888 1.00 0.30 H new ATOM 0 HA PHE B 12 5.264 -5.246 3.822 1.00 0.30 H new ATOM 0 HB2 PHE B 12 6.395 -4.123 5.586 1.00 0.35 H new ATOM 0 HB3 PHE B 12 7.301 -5.580 5.229 1.00 0.35 H new ATOM 0 HD1 PHE B 12 9.483 -5.420 4.027 1.00 0.39 H new ATOM 0 HD2 PHE B 12 7.380 -1.955 5.335 1.00 0.42 H new ATOM 0 HE1 PHE B 12 11.538 -4.096 3.814 1.00 0.42 H new ATOM 0 HE2 PHE B 12 9.438 -0.629 5.130 1.00 0.45 H new ATOM 0 HZ PHE B 12 11.521 -1.697 4.368 1.00 0.40 H new ATOM 1816 N ILE B 13 4.830 -2.813 3.309 1.00 0.27 N ATOM 1817 CA ILE B 13 4.428 -1.529 2.757 1.00 0.27 C ATOM 1818 C ILE B 13 5.178 -0.391 3.439 1.00 0.29 C ATOM 1819 O ILE B 13 5.037 -0.165 4.641 1.00 0.35 O ATOM 1820 CB ILE B 13 2.907 -1.302 2.895 1.00 0.36 C ATOM 1821 CG1 ILE B 13 2.130 -2.413 2.178 1.00 0.98 C ATOM 1822 CG2 ILE B 13 2.514 0.064 2.345 1.00 0.85 C ATOM 1823 CD1 ILE B 13 2.398 -2.481 0.687 1.00 1.40 C ATOM 0 H ILE B 13 4.210 -3.171 4.036 1.00 0.27 H new ATOM 0 HA ILE B 13 4.679 -1.542 1.696 1.00 0.27 H new ATOM 0 HB ILE B 13 2.652 -1.331 3.954 1.00 0.36 H new ATOM 0 HG12 ILE B 13 2.386 -3.372 2.628 1.00 0.98 H new ATOM 0 HG13 ILE B 13 1.063 -2.260 2.340 1.00 0.98 H new ATOM 0 HG21 ILE B 13 1.438 0.204 2.452 1.00 0.85 H new ATOM 0 HG22 ILE B 13 3.038 0.843 2.898 1.00 0.85 H new ATOM 0 HG23 ILE B 13 2.784 0.123 1.291 1.00 0.85 H new ATOM 0 HD11 ILE B 13 1.814 -3.290 0.249 1.00 1.40 H new ATOM 0 HD12 ILE B 13 2.115 -1.536 0.223 1.00 1.40 H new ATOM 0 HD13 ILE B 13 3.459 -2.665 0.516 1.00 1.40 H new ATOM 1835 N SER B 14 5.979 0.317 2.666 1.00 0.34 N ATOM 1836 CA SER B 14 6.753 1.428 3.180 1.00 0.42 C ATOM 1837 C SER B 14 6.026 2.749 2.934 1.00 0.35 C ATOM 1838 O SER B 14 6.285 3.439 1.946 1.00 0.40 O ATOM 1839 CB SER B 14 8.127 1.440 2.514 1.00 0.54 C ATOM 1840 OG SER B 14 8.637 0.123 2.396 1.00 1.47 O ATOM 0 H SER B 14 6.110 0.139 1.670 1.00 0.34 H new ATOM 0 HA SER B 14 6.878 1.309 4.256 1.00 0.42 H new ATOM 0 HB2 SER B 14 8.055 1.897 1.527 1.00 0.54 H new ATOM 0 HB3 SER B 14 8.815 2.051 3.099 1.00 0.54 H new ATOM 0 HG SER B 14 8.818 -0.239 3.289 1.00 1.47 H new ATOM 1846 N ARG B 15 5.099 3.083 3.823 1.00 0.31 N ATOM 1847 CA ARG B 15 4.340 4.320 3.705 1.00 0.31 C ATOM 1848 C ARG B 15 5.179 5.502 4.182 1.00 0.27 C ATOM 1849 O ARG B 15 5.333 5.728 5.383 1.00 0.29 O ATOM 1850 CB ARG B 15 3.033 4.229 4.498 1.00 0.42 C ATOM 1851 CG ARG B 15 1.973 3.380 3.816 1.00 0.54 C ATOM 1852 CD ARG B 15 0.894 2.931 4.791 1.00 0.90 C ATOM 1853 NE ARG B 15 -0.002 4.021 5.179 1.00 1.40 N ATOM 1854 CZ ARG B 15 -0.029 4.562 6.394 1.00 1.85 C ATOM 1855 NH1 ARG B 15 0.772 4.109 7.344 1.00 2.03 N ATOM 1856 NH2 ARG B 15 -0.879 5.536 6.668 1.00 2.69 N ATOM 0 H ARG B 15 4.855 2.514 4.634 1.00 0.31 H new ATOM 0 HA ARG B 15 4.089 4.475 2.656 1.00 0.31 H new ATOM 0 HB2 ARG B 15 3.243 3.813 5.484 1.00 0.42 H new ATOM 0 HB3 ARG B 15 2.640 5.234 4.653 1.00 0.42 H new ATOM 0 HG2 ARG B 15 1.517 3.950 3.006 1.00 0.54 H new ATOM 0 HG3 ARG B 15 2.442 2.505 3.365 1.00 0.54 H new ATOM 0 HD2 ARG B 15 0.310 2.130 4.338 1.00 0.90 H new ATOM 0 HD3 ARG B 15 1.365 2.517 5.683 1.00 0.90 H new ATOM 0 HE ARG B 15 -0.644 4.388 4.476 1.00 1.40 H new ATOM 0 HH11 ARG B 15 1.414 3.342 7.147 1.00 2.03 H new ATOM 0 HH12 ARG B 15 0.748 4.527 8.274 1.00 2.03 H new ATOM 0 HH21 ARG B 15 -1.516 5.875 5.947 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -0.898 5.949 7.600 1.00 2.69 H new ATOM 1870 N HIS B 16 5.738 6.232 3.230 1.00 0.28 N ATOM 1871 CA HIS B 16 6.571 7.391 3.531 1.00 0.28 C ATOM 1872 C HIS B 16 6.172 8.558 2.645 1.00 0.32 C ATOM 1873 O HIS B 16 5.675 8.351 1.542 1.00 0.40 O ATOM 1874 CB HIS B 16 8.057 7.061 3.330 1.00 0.32 C ATOM 1875 CG HIS B 16 8.422 6.688 1.925 1.00 0.36 C ATOM 1876 ND1 HIS B 16 8.525 7.606 0.902 1.00 0.54 N ATOM 1877 CD2 HIS B 16 8.708 5.486 1.378 1.00 0.75 C ATOM 1878 CE1 HIS B 16 8.858 6.985 -0.211 1.00 0.46 C ATOM 1879 NE2 HIS B 16 8.978 5.696 0.048 1.00 0.61 N ATOM 0 H HIS B 16 5.630 6.042 2.234 1.00 0.28 H new ATOM 0 HA HIS B 16 6.419 7.664 4.575 1.00 0.28 H new ATOM 0 HB2 HIS B 16 8.652 7.923 3.631 1.00 0.32 H new ATOM 0 HB3 HIS B 16 8.328 6.240 3.993 1.00 0.32 H new ATOM 0 HD1 HIS B 16 8.368 8.610 0.993 1.00 0.54 H new ATOM 0 HD2 HIS B 16 8.722 4.536 1.892 1.00 0.75 H new ATOM 0 HE1 HIS B 16 9.008 7.452 -1.173 1.00 0.46 H new ATOM 1888 N ASN B 17 6.412 9.775 3.113 1.00 0.31 N ATOM 1889 CA ASN B 17 6.056 10.969 2.348 1.00 0.39 C ATOM 1890 C ASN B 17 6.972 11.147 1.133 1.00 0.35 C ATOM 1891 O ASN B 17 7.847 10.311 0.874 1.00 0.32 O ATOM 1892 CB ASN B 17 6.075 12.217 3.244 1.00 0.49 C ATOM 1893 CG ASN B 17 7.456 12.817 3.452 1.00 0.95 C ATOM 1894 OD1 ASN B 17 8.468 12.115 3.472 1.00 2.04 O ATOM 1895 ND2 ASN B 17 7.502 14.132 3.588 1.00 0.59 N ATOM 0 H ASN B 17 6.850 9.965 4.015 1.00 0.31 H new ATOM 0 HA ASN B 17 5.040 10.836 1.975 1.00 0.39 H new ATOM 0 HB2 ASN B 17 5.425 12.974 2.806 1.00 0.49 H new ATOM 0 HB3 ASN B 17 5.654 11.959 4.216 1.00 0.49 H new ATOM 0 HD21 ASN B 17 8.399 14.600 3.715 1.00 0.59 H new ATOM 0 HD22 ASN B 17 6.640 14.677 3.566 1.00 0.59 H new ATOM 1902 N ILE B 18 6.776 12.242 0.398 1.00 0.40 N ATOM 1903 CA ILE B 18 7.563 12.519 -0.806 1.00 0.45 C ATOM 1904 C ILE B 18 9.048 12.728 -0.500 1.00 0.44 C ATOM 1905 O ILE B 18 9.900 12.487 -1.355 1.00 0.52 O ATOM 1906 CB ILE B 18 7.022 13.749 -1.571 1.00 0.53 C ATOM 1907 CG1 ILE B 18 7.138 15.014 -0.718 1.00 0.59 C ATOM 1908 CG2 ILE B 18 5.577 13.516 -1.988 1.00 0.57 C ATOM 1909 CD1 ILE B 18 6.792 16.284 -1.467 1.00 0.70 C ATOM 0 H ILE B 18 6.078 12.953 0.615 1.00 0.40 H new ATOM 0 HA ILE B 18 7.464 11.634 -1.434 1.00 0.45 H new ATOM 0 HB ILE B 18 7.626 13.889 -2.468 1.00 0.53 H new ATOM 0 HG12 ILE B 18 6.480 14.921 0.146 1.00 0.59 H new ATOM 0 HG13 ILE B 18 8.156 15.093 -0.337 1.00 0.59 H new ATOM 0 HG21 ILE B 18 5.208 14.389 -2.526 1.00 0.57 H new ATOM 0 HG22 ILE B 18 5.522 12.641 -2.636 1.00 0.57 H new ATOM 0 HG23 ILE B 18 4.965 13.350 -1.102 1.00 0.57 H new ATOM 0 HD11 ILE B 18 6.896 17.140 -0.800 1.00 0.70 H new ATOM 0 HD12 ILE B 18 7.466 16.401 -2.316 1.00 0.70 H new ATOM 0 HD13 ILE B 18 5.764 16.227 -1.825 1.00 0.70 H new ATOM 1921 N GLU B 19 9.356 13.161 0.717 1.00 0.41 N ATOM 1922 CA GLU B 19 10.741 13.395 1.116 1.00 0.45 C ATOM 1923 C GLU B 19 11.445 12.075 1.413 1.00 0.41 C ATOM 1924 O GLU B 19 12.666 11.962 1.293 1.00 0.51 O ATOM 1925 CB GLU B 19 10.797 14.295 2.350 1.00 0.50 C ATOM 1926 CG GLU B 19 10.169 15.662 2.141 1.00 0.65 C ATOM 1927 CD GLU B 19 10.102 16.470 3.420 1.00 1.21 C ATOM 1928 OE1 GLU B 19 9.243 16.168 4.275 1.00 1.92 O ATOM 1929 OE2 GLU B 19 10.907 17.410 3.577 1.00 1.28 O ATOM 0 H GLU B 19 8.668 13.357 1.444 1.00 0.41 H new ATOM 0 HA GLU B 19 11.251 13.890 0.290 1.00 0.45 H new ATOM 0 HB2 GLU B 19 10.291 13.795 3.176 1.00 0.50 H new ATOM 0 HB3 GLU B 19 11.838 14.425 2.646 1.00 0.50 H new ATOM 0 HG2 GLU B 19 10.744 16.213 1.397 1.00 0.65 H new ATOM 0 HG3 GLU B 19 9.163 15.539 1.740 1.00 0.65 H new ATOM 1936 N GLY B 20 10.667 11.079 1.810 1.00 0.33 N ATOM 1937 CA GLY B 20 11.228 9.783 2.120 1.00 0.32 C ATOM 1938 C GLY B 20 11.021 9.407 3.570 1.00 0.29 C ATOM 1939 O GLY B 20 11.326 8.286 3.971 1.00 0.34 O ATOM 0 H GLY B 20 9.656 11.147 1.923 1.00 0.33 H new ATOM 0 HA2 GLY B 20 10.770 9.028 1.481 1.00 0.32 H new ATOM 0 HA3 GLY B 20 12.295 9.787 1.895 1.00 0.32 H new ATOM 1943 N ILE B 21 10.497 10.352 4.344 1.00 0.27 N ATOM 1944 CA ILE B 21 10.234 10.144 5.763 1.00 0.28 C ATOM 1945 C ILE B 21 9.067 9.182 5.949 1.00 0.27 C ATOM 1946 O ILE B 21 7.959 9.438 5.471 1.00 0.31 O ATOM 1947 CB ILE B 21 9.914 11.479 6.475 1.00 0.32 C ATOM 1948 CG1 ILE B 21 11.109 12.436 6.384 1.00 0.37 C ATOM 1949 CG2 ILE B 21 9.526 11.238 7.931 1.00 0.41 C ATOM 1950 CD1 ILE B 21 12.323 11.978 7.164 1.00 0.47 C ATOM 0 H ILE B 21 10.244 11.281 4.006 1.00 0.27 H new ATOM 0 HA ILE B 21 11.134 9.719 6.207 1.00 0.28 H new ATOM 0 HB ILE B 21 9.065 11.940 5.971 1.00 0.32 H new ATOM 0 HG12 ILE B 21 11.386 12.556 5.337 1.00 0.37 H new ATOM 0 HG13 ILE B 21 10.805 13.417 6.748 1.00 0.37 H new ATOM 0 HG21 ILE B 21 9.305 12.191 8.411 1.00 0.41 H new ATOM 0 HG22 ILE B 21 8.644 10.599 7.971 1.00 0.41 H new ATOM 0 HG23 ILE B 21 10.351 10.752 8.452 1.00 0.41 H new ATOM 0 HD11 ILE B 21 13.125 12.707 7.050 1.00 0.47 H new ATOM 0 HD12 ILE B 21 12.064 11.885 8.219 1.00 0.47 H new ATOM 0 HD13 ILE B 21 12.655 11.011 6.786 1.00 0.47 H new ATOM 1962 N PHE B 22 9.322 8.073 6.625 1.00 0.25 N ATOM 1963 CA PHE B 22 8.292 7.073 6.864 1.00 0.27 C ATOM 1964 C PHE B 22 7.267 7.562 7.883 1.00 0.28 C ATOM 1965 O PHE B 22 7.611 7.876 9.026 1.00 0.35 O ATOM 1966 CB PHE B 22 8.915 5.767 7.357 1.00 0.31 C ATOM 1967 CG PHE B 22 9.744 5.060 6.325 1.00 0.33 C ATOM 1968 CD1 PHE B 22 9.167 4.133 5.476 1.00 0.36 C ATOM 1969 CD2 PHE B 22 11.100 5.316 6.210 1.00 0.38 C ATOM 1970 CE1 PHE B 22 9.925 3.475 4.529 1.00 0.44 C ATOM 1971 CE2 PHE B 22 11.864 4.660 5.267 1.00 0.45 C ATOM 1972 CZ PHE B 22 11.275 3.738 4.426 1.00 0.46 C ATOM 0 H PHE B 22 10.234 7.842 7.019 1.00 0.25 H new ATOM 0 HA PHE B 22 7.783 6.897 5.916 1.00 0.27 H new ATOM 0 HB2 PHE B 22 9.538 5.979 8.226 1.00 0.31 H new ATOM 0 HB3 PHE B 22 8.120 5.100 7.689 1.00 0.31 H new ATOM 0 HD1 PHE B 22 8.111 3.922 5.555 1.00 0.36 H new ATOM 0 HD2 PHE B 22 11.565 6.037 6.866 1.00 0.38 H new ATOM 0 HE1 PHE B 22 9.462 2.756 3.870 1.00 0.44 H new ATOM 0 HE2 PHE B 22 12.921 4.868 5.187 1.00 0.45 H new ATOM 0 HZ PHE B 22 11.871 3.223 3.687 1.00 0.46 H new ATOM 1982 N THR B 23 6.014 7.634 7.456 1.00 0.27 N ATOM 1983 CA THR B 23 4.928 8.053 8.323 1.00 0.30 C ATOM 1984 C THR B 23 4.571 6.914 9.270 1.00 0.27 C ATOM 1985 O THR B 23 4.442 7.100 10.480 1.00 0.33 O ATOM 1986 CB THR B 23 3.691 8.430 7.490 1.00 0.42 C ATOM 1987 OG1 THR B 23 4.094 8.732 6.145 1.00 1.35 O ATOM 1988 CG2 THR B 23 2.970 9.626 8.094 1.00 1.14 C ATOM 0 H THR B 23 5.725 7.405 6.505 1.00 0.27 H new ATOM 0 HA THR B 23 5.248 8.925 8.893 1.00 0.30 H new ATOM 0 HB THR B 23 3.003 7.584 7.488 1.00 0.42 H new ATOM 0 HG1 THR B 23 4.044 7.920 5.598 1.00 1.35 H new ATOM 0 HG21 THR B 23 2.100 9.871 7.486 1.00 1.14 H new ATOM 0 HG22 THR B 23 2.648 9.383 9.107 1.00 1.14 H new ATOM 0 HG23 THR B 23 3.645 10.481 8.123 1.00 1.14 H new ATOM 1996 N PHE B 24 4.434 5.731 8.691 1.00 0.25 N ATOM 1997 CA PHE B 24 4.111 4.523 9.429 1.00 0.28 C ATOM 1998 C PHE B 24 4.466 3.323 8.563 1.00 0.26 C ATOM 1999 O PHE B 24 3.978 3.194 7.437 1.00 0.27 O ATOM 2000 CB PHE B 24 2.630 4.500 9.817 1.00 0.36 C ATOM 2001 CG PHE B 24 2.233 3.319 10.663 1.00 0.46 C ATOM 2002 CD1 PHE B 24 2.788 3.126 11.918 1.00 0.59 C ATOM 2003 CD2 PHE B 24 1.298 2.405 10.201 1.00 0.51 C ATOM 2004 CE1 PHE B 24 2.419 2.043 12.694 1.00 0.71 C ATOM 2005 CE2 PHE B 24 0.927 1.321 10.974 1.00 0.61 C ATOM 2006 CZ PHE B 24 1.489 1.139 12.221 1.00 0.70 C ATOM 0 H PHE B 24 4.545 5.583 7.688 1.00 0.25 H new ATOM 0 HA PHE B 24 4.686 4.491 10.355 1.00 0.28 H new ATOM 0 HB2 PHE B 24 2.393 5.416 10.358 1.00 0.36 H new ATOM 0 HB3 PHE B 24 2.028 4.501 8.909 1.00 0.36 H new ATOM 0 HD1 PHE B 24 3.517 3.829 12.294 1.00 0.59 H new ATOM 0 HD2 PHE B 24 0.855 2.542 9.226 1.00 0.51 H new ATOM 0 HE1 PHE B 24 2.858 1.904 13.671 1.00 0.71 H new ATOM 0 HE2 PHE B 24 0.198 0.617 10.602 1.00 0.61 H new ATOM 0 HZ PHE B 24 1.202 0.291 12.826 1.00 0.70 H new ATOM 2016 N VAL B 25 5.329 2.467 9.081 1.00 0.26 N ATOM 2017 CA VAL B 25 5.786 1.296 8.345 1.00 0.27 C ATOM 2018 C VAL B 25 4.826 0.114 8.511 1.00 0.26 C ATOM 2019 O VAL B 25 3.782 0.227 9.157 1.00 0.25 O ATOM 2020 CB VAL B 25 7.211 0.883 8.795 1.00 0.34 C ATOM 2021 CG1 VAL B 25 7.983 0.244 7.649 1.00 0.74 C ATOM 2022 CG2 VAL B 25 7.972 2.084 9.329 1.00 0.78 C ATOM 0 H VAL B 25 5.731 2.560 10.014 1.00 0.26 H new ATOM 0 HA VAL B 25 5.811 1.569 7.290 1.00 0.27 H new ATOM 0 HB VAL B 25 7.108 0.147 9.593 1.00 0.34 H new ATOM 0 HG11 VAL B 25 8.979 -0.036 7.993 1.00 0.74 H new ATOM 0 HG12 VAL B 25 7.454 -0.645 7.305 1.00 0.74 H new ATOM 0 HG13 VAL B 25 8.069 0.955 6.827 1.00 0.74 H new ATOM 0 HG21 VAL B 25 8.970 1.774 9.640 1.00 0.78 H new ATOM 0 HG22 VAL B 25 8.054 2.840 8.548 1.00 0.78 H new ATOM 0 HG23 VAL B 25 7.439 2.502 10.183 1.00 0.78 H new ATOM 2032 N ASP B 26 5.187 -1.006 7.900 1.00 0.27 N ATOM 2033 CA ASP B 26 4.393 -2.226 7.957 1.00 0.29 C ATOM 2034 C ASP B 26 4.751 -3.034 9.205 1.00 0.24 C ATOM 2035 O ASP B 26 5.438 -2.543 10.098 1.00 0.22 O ATOM 2036 CB ASP B 26 4.659 -3.061 6.699 1.00 0.39 C ATOM 2037 CG ASP B 26 3.503 -3.961 6.301 1.00 0.48 C ATOM 2038 OD1 ASP B 26 3.276 -4.991 6.974 1.00 0.78 O ATOM 2039 OD2 ASP B 26 2.846 -3.667 5.286 1.00 0.72 O ATOM 0 H ASP B 26 6.041 -1.095 7.349 1.00 0.27 H new ATOM 0 HA ASP B 26 3.336 -1.965 8.005 1.00 0.29 H new ATOM 0 HB2 ASP B 26 4.886 -2.390 5.871 1.00 0.39 H new ATOM 0 HB3 ASP B 26 5.545 -3.675 6.863 1.00 0.39 H new ATOM 2044 N HIS B 27 4.296 -4.274 9.250 1.00 0.26 N ATOM 2045 CA HIS B 27 4.568 -5.157 10.378 1.00 0.26 C ATOM 2046 C HIS B 27 5.364 -6.371 9.916 1.00 0.23 C ATOM 2047 O HIS B 27 5.690 -7.257 10.706 1.00 0.26 O ATOM 2048 CB HIS B 27 3.257 -5.609 11.044 1.00 0.34 C ATOM 2049 CG HIS B 27 2.228 -6.147 10.088 1.00 0.50 C ATOM 2050 ND1 HIS B 27 2.204 -7.458 9.652 1.00 0.70 N ATOM 2051 CD2 HIS B 27 1.176 -5.538 9.487 1.00 0.66 C ATOM 2052 CE1 HIS B 27 1.184 -7.628 8.830 1.00 0.86 C ATOM 2053 NE2 HIS B 27 0.544 -6.481 8.714 1.00 0.83 N ATOM 0 H HIS B 27 3.732 -4.698 8.513 1.00 0.26 H new ATOM 0 HA HIS B 27 5.156 -4.605 11.111 1.00 0.26 H new ATOM 0 HB2 HIS B 27 3.485 -6.377 11.783 1.00 0.34 H new ATOM 0 HB3 HIS B 27 2.828 -4.765 11.583 1.00 0.34 H new ATOM 0 HD1 HIS B 27 2.870 -8.182 9.923 1.00 0.70 H new ATOM 0 HD2 HIS B 27 0.888 -4.503 9.596 1.00 0.66 H new ATOM 0 HE1 HIS B 27 0.919 -8.551 8.336 1.00 0.86 H new ATOM 2062 N ARG B 28 5.675 -6.404 8.629 1.00 0.24 N ATOM 2063 CA ARG B 28 6.416 -7.516 8.047 1.00 0.27 C ATOM 2064 C ARG B 28 7.862 -7.127 7.749 1.00 0.24 C ATOM 2065 O ARG B 28 8.650 -7.949 7.280 1.00 0.28 O ATOM 2066 CB ARG B 28 5.716 -7.990 6.771 1.00 0.35 C ATOM 2067 CG ARG B 28 4.281 -8.435 7.002 1.00 0.48 C ATOM 2068 CD ARG B 28 3.480 -8.458 5.711 1.00 0.56 C ATOM 2069 NE ARG B 28 3.224 -7.116 5.193 1.00 0.99 N ATOM 2070 CZ ARG B 28 3.218 -6.815 3.897 1.00 1.26 C ATOM 2071 NH1 ARG B 28 3.419 -7.759 2.990 1.00 1.61 N ATOM 2072 NH2 ARG B 28 3.004 -5.569 3.503 1.00 1.87 N ATOM 0 H ARG B 28 5.425 -5.671 7.965 1.00 0.24 H new ATOM 0 HA ARG B 28 6.437 -8.330 8.771 1.00 0.27 H new ATOM 0 HB2 ARG B 28 5.725 -7.183 6.039 1.00 0.35 H new ATOM 0 HB3 ARG B 28 6.281 -8.817 6.341 1.00 0.35 H new ATOM 0 HG2 ARG B 28 4.277 -9.429 7.450 1.00 0.48 H new ATOM 0 HG3 ARG B 28 3.803 -7.763 7.714 1.00 0.48 H new ATOM 0 HD2 ARG B 28 4.019 -9.037 4.962 1.00 0.56 H new ATOM 0 HD3 ARG B 28 2.531 -8.965 5.884 1.00 0.56 H new ATOM 0 HE ARG B 28 3.040 -6.368 5.862 1.00 0.99 H new ATOM 0 HH11 ARG B 28 3.579 -8.723 3.284 1.00 1.61 H new ATOM 0 HH12 ARG B 28 3.413 -7.522 1.998 1.00 1.61 H new ATOM 0 HH21 ARG B 28 2.843 -4.836 4.194 1.00 1.87 H new ATOM 0 HH22 ARG B 28 3.000 -5.342 2.509 1.00 1.87 H new ATOM 2086 N CYS B 29 8.216 -5.887 8.067 1.00 0.21 N ATOM 2087 CA CYS B 29 9.563 -5.379 7.823 1.00 0.22 C ATOM 2088 C CYS B 29 10.609 -6.182 8.596 1.00 0.22 C ATOM 2089 O CYS B 29 11.763 -6.291 8.173 1.00 0.25 O ATOM 2090 CB CYS B 29 9.639 -3.904 8.215 1.00 0.27 C ATOM 2091 SG CYS B 29 8.747 -3.514 9.737 1.00 1.34 S ATOM 0 H CYS B 29 7.585 -5.210 8.497 1.00 0.21 H new ATOM 0 HA CYS B 29 9.779 -5.484 6.760 1.00 0.22 H new ATOM 0 HB2 CYS B 29 10.685 -3.622 8.334 1.00 0.27 H new ATOM 0 HB3 CYS B 29 9.236 -3.299 7.402 1.00 0.27 H new ATOM 0 HG CYS B 29 7.527 -3.169 9.449 1.00 1.34 H new ATOM 2097 N VAL B 30 10.191 -6.757 9.718 1.00 0.24 N ATOM 2098 CA VAL B 30 11.078 -7.553 10.556 1.00 0.31 C ATOM 2099 C VAL B 30 11.554 -8.801 9.811 1.00 0.33 C ATOM 2100 O VAL B 30 12.657 -9.300 10.043 1.00 0.38 O ATOM 2101 CB VAL B 30 10.378 -7.978 11.868 1.00 0.39 C ATOM 2102 CG1 VAL B 30 11.399 -8.409 12.906 1.00 1.01 C ATOM 2103 CG2 VAL B 30 9.508 -6.848 12.409 1.00 0.92 C ATOM 0 H VAL B 30 9.236 -6.685 10.070 1.00 0.24 H new ATOM 0 HA VAL B 30 11.938 -6.929 10.801 1.00 0.31 H new ATOM 0 HB VAL B 30 9.733 -8.829 11.647 1.00 0.39 H new ATOM 0 HG11 VAL B 30 10.885 -8.704 13.821 1.00 1.01 H new ATOM 0 HG12 VAL B 30 11.972 -9.253 12.524 1.00 1.01 H new ATOM 0 HG13 VAL B 30 12.073 -7.580 13.120 1.00 1.01 H new ATOM 0 HG21 VAL B 30 9.026 -7.170 13.332 1.00 0.92 H new ATOM 0 HG22 VAL B 30 10.129 -5.975 12.609 1.00 0.92 H new ATOM 0 HG23 VAL B 30 8.747 -6.590 11.673 1.00 0.92 H new ATOM 2113 N ALA B 31 10.724 -9.289 8.897 1.00 0.34 N ATOM 2114 CA ALA B 31 11.059 -10.475 8.122 1.00 0.40 C ATOM 2115 C ALA B 31 11.739 -10.101 6.813 1.00 0.39 C ATOM 2116 O ALA B 31 12.508 -10.880 6.255 1.00 0.45 O ATOM 2117 CB ALA B 31 9.813 -11.298 7.852 1.00 0.46 C ATOM 0 H ALA B 31 9.816 -8.882 8.675 1.00 0.34 H new ATOM 0 HA ALA B 31 11.757 -11.074 8.707 1.00 0.40 H new ATOM 0 HB1 ALA B 31 10.079 -12.181 7.272 1.00 0.46 H new ATOM 0 HB2 ALA B 31 9.368 -11.606 8.798 1.00 0.46 H new ATOM 0 HB3 ALA B 31 9.095 -10.699 7.292 1.00 0.46 H new ATOM 2123 N THR B 32 11.453 -8.904 6.324 1.00 0.36 N ATOM 2124 CA THR B 32 12.038 -8.438 5.080 1.00 0.38 C ATOM 2125 C THR B 32 13.483 -7.984 5.281 1.00 0.42 C ATOM 2126 O THR B 32 14.379 -8.416 4.560 1.00 0.48 O ATOM 2127 CB THR B 32 11.218 -7.283 4.487 1.00 0.37 C ATOM 2128 OG1 THR B 32 9.822 -7.513 4.721 1.00 0.36 O ATOM 2129 CG2 THR B 32 11.471 -7.150 2.993 1.00 0.44 C ATOM 0 H THR B 32 10.820 -8.240 6.770 1.00 0.36 H new ATOM 0 HA THR B 32 12.028 -9.278 4.385 1.00 0.38 H new ATOM 0 HB THR B 32 11.525 -6.357 4.973 1.00 0.37 H new ATOM 0 HG1 THR B 32 9.588 -8.421 4.436 1.00 0.36 H new ATOM 0 HG21 THR B 32 10.879 -6.325 2.596 1.00 0.44 H new ATOM 0 HG22 THR B 32 12.529 -6.954 2.819 1.00 0.44 H new ATOM 0 HG23 THR B 32 11.186 -8.075 2.492 1.00 0.44 H new ATOM 2137 N VAL B 33 13.706 -7.121 6.268 1.00 0.42 N ATOM 2138 CA VAL B 33 15.047 -6.612 6.538 1.00 0.52 C ATOM 2139 C VAL B 33 15.437 -6.781 8.004 1.00 0.57 C ATOM 2140 O VAL B 33 16.615 -6.907 8.330 1.00 0.99 O ATOM 2141 CB VAL B 33 15.186 -5.123 6.147 1.00 0.56 C ATOM 2142 CG1 VAL B 33 15.326 -4.977 4.640 1.00 0.67 C ATOM 2143 CG2 VAL B 33 14.004 -4.310 6.656 1.00 0.51 C ATOM 0 H VAL B 33 12.982 -6.762 6.890 1.00 0.42 H new ATOM 0 HA VAL B 33 15.723 -7.206 5.922 1.00 0.52 H new ATOM 0 HB VAL B 33 16.089 -4.734 6.618 1.00 0.56 H new ATOM 0 HG11 VAL B 33 15.423 -3.922 4.384 1.00 0.67 H new ATOM 0 HG12 VAL B 33 16.212 -5.515 4.303 1.00 0.67 H new ATOM 0 HG13 VAL B 33 14.444 -5.390 4.151 1.00 0.67 H new ATOM 0 HG21 VAL B 33 14.128 -3.267 6.366 1.00 0.51 H new ATOM 0 HG22 VAL B 33 13.082 -4.699 6.224 1.00 0.51 H new ATOM 0 HG23 VAL B 33 13.954 -4.382 7.743 1.00 0.51 H new ATOM 2153 N GLY B 34 14.454 -6.771 8.889 1.00 0.36 N ATOM 2154 CA GLY B 34 14.740 -6.924 10.301 1.00 0.38 C ATOM 2155 C GLY B 34 14.646 -5.612 11.045 1.00 0.33 C ATOM 2156 O GLY B 34 14.512 -5.594 12.268 1.00 0.38 O ATOM 0 H GLY B 34 13.467 -6.660 8.658 1.00 0.36 H new ATOM 0 HA2 GLY B 34 14.041 -7.638 10.737 1.00 0.38 H new ATOM 0 HA3 GLY B 34 15.740 -7.340 10.425 1.00 0.38 H new ATOM 2160 N TYR B 35 14.720 -4.513 10.304 1.00 0.32 N ATOM 2161 CA TYR B 35 14.632 -3.187 10.894 1.00 0.31 C ATOM 2162 C TYR B 35 13.262 -2.988 11.525 1.00 0.29 C ATOM 2163 O TYR B 35 12.237 -3.326 10.926 1.00 0.35 O ATOM 2164 CB TYR B 35 14.884 -2.105 9.840 1.00 0.33 C ATOM 2165 CG TYR B 35 16.331 -1.669 9.735 1.00 0.30 C ATOM 2166 CD1 TYR B 35 17.105 -1.483 10.873 1.00 0.39 C ATOM 2167 CD2 TYR B 35 16.919 -1.429 8.499 1.00 0.30 C ATOM 2168 CE1 TYR B 35 18.422 -1.074 10.785 1.00 0.39 C ATOM 2169 CE2 TYR B 35 18.238 -1.023 8.403 1.00 0.30 C ATOM 2170 CZ TYR B 35 18.984 -0.846 9.549 1.00 0.30 C ATOM 2171 OH TYR B 35 20.295 -0.437 9.457 1.00 0.34 O ATOM 0 H TYR B 35 14.841 -4.516 9.291 1.00 0.32 H new ATOM 0 HA TYR B 35 15.398 -3.102 11.665 1.00 0.31 H new ATOM 0 HB2 TYR B 35 14.556 -2.476 8.869 1.00 0.33 H new ATOM 0 HB3 TYR B 35 14.270 -1.235 10.073 1.00 0.33 H new ATOM 0 HD1 TYR B 35 16.669 -1.661 11.845 1.00 0.39 H new ATOM 0 HD2 TYR B 35 16.337 -1.562 7.599 1.00 0.30 H new ATOM 0 HE1 TYR B 35 19.008 -0.934 11.682 1.00 0.39 H new ATOM 0 HE2 TYR B 35 18.682 -0.845 7.434 1.00 0.30 H new ATOM 0 HH TYR B 35 20.887 -1.185 9.681 1.00 0.34 H new ATOM 2181 N GLN B 36 13.249 -2.456 12.734 1.00 0.30 N ATOM 2182 CA GLN B 36 12.004 -2.222 13.446 1.00 0.31 C ATOM 2183 C GLN B 36 11.280 -1.025 12.840 1.00 0.30 C ATOM 2184 O GLN B 36 11.922 -0.096 12.352 1.00 0.35 O ATOM 2185 CB GLN B 36 12.280 -1.979 14.931 1.00 0.40 C ATOM 2186 CG GLN B 36 13.194 -3.021 15.560 1.00 0.42 C ATOM 2187 CD GLN B 36 12.559 -4.398 15.636 1.00 0.81 C ATOM 2188 OE1 GLN B 36 11.831 -4.707 16.580 1.00 1.63 O ATOM 2189 NE2 GLN B 36 12.847 -5.247 14.659 1.00 1.29 N ATOM 0 H GLN B 36 14.087 -2.177 13.244 1.00 0.30 H new ATOM 0 HA GLN B 36 11.371 -3.104 13.352 1.00 0.31 H new ATOM 0 HB2 GLN B 36 12.730 -0.993 15.052 1.00 0.40 H new ATOM 0 HB3 GLN B 36 11.333 -1.966 15.470 1.00 0.40 H new ATOM 0 HG2 GLN B 36 14.116 -3.084 14.982 1.00 0.42 H new ATOM 0 HG3 GLN B 36 13.468 -2.697 16.564 1.00 0.42 H new ATOM 0 HE21 GLN B 36 13.454 -4.956 13.893 1.00 1.29 H new ATOM 0 HE22 GLN B 36 12.462 -6.191 14.674 1.00 1.29 H new ATOM 2198 N PRO B 37 9.936 -1.031 12.857 1.00 0.33 N ATOM 2199 CA PRO B 37 9.131 0.063 12.298 1.00 0.35 C ATOM 2200 C PRO B 37 9.509 1.425 12.878 1.00 0.31 C ATOM 2201 O PRO B 37 9.572 2.423 12.158 1.00 0.30 O ATOM 2202 CB PRO B 37 7.697 -0.309 12.692 1.00 0.43 C ATOM 2203 CG PRO B 37 7.726 -1.785 12.883 1.00 0.49 C ATOM 2204 CD PRO B 37 9.094 -2.106 13.416 1.00 0.40 C ATOM 0 HA PRO B 37 9.279 0.165 11.223 1.00 0.35 H new ATOM 0 HB2 PRO B 37 7.392 0.202 13.605 1.00 0.43 H new ATOM 0 HB3 PRO B 37 6.987 -0.024 11.916 1.00 0.43 H new ATOM 0 HG2 PRO B 37 6.951 -2.104 13.580 1.00 0.49 H new ATOM 0 HG3 PRO B 37 7.542 -2.304 11.942 1.00 0.49 H new ATOM 0 HD2 PRO B 37 9.112 -2.105 14.506 1.00 0.40 H new ATOM 0 HD3 PRO B 37 9.431 -3.091 13.092 1.00 0.40 H new ATOM 2212 N GLN B 38 9.793 1.451 14.173 1.00 0.33 N ATOM 2213 CA GLN B 38 10.160 2.684 14.863 1.00 0.35 C ATOM 2214 C GLN B 38 11.504 3.225 14.381 1.00 0.34 C ATOM 2215 O GLN B 38 11.815 4.399 14.583 1.00 0.33 O ATOM 2216 CB GLN B 38 10.207 2.458 16.376 1.00 0.46 C ATOM 2217 CG GLN B 38 8.872 2.042 16.974 1.00 0.57 C ATOM 2218 CD GLN B 38 8.721 0.537 17.077 1.00 1.14 C ATOM 2219 OE1 GLN B 38 9.285 -0.215 16.281 1.00 2.03 O ATOM 2220 NE2 GLN B 38 7.953 0.087 18.053 1.00 1.34 N ATOM 0 H GLN B 38 9.776 0.626 14.773 1.00 0.33 H new ATOM 0 HA GLN B 38 9.395 3.424 14.631 1.00 0.35 H new ATOM 0 HB2 GLN B 38 10.949 1.691 16.597 1.00 0.46 H new ATOM 0 HB3 GLN B 38 10.542 3.375 16.861 1.00 0.46 H new ATOM 0 HG2 GLN B 38 8.770 2.482 17.966 1.00 0.57 H new ATOM 0 HG3 GLN B 38 8.064 2.443 16.363 1.00 0.57 H new ATOM 0 HE21 GLN B 38 7.503 0.743 18.692 1.00 1.34 H new ATOM 0 HE22 GLN B 38 7.810 -0.916 18.168 1.00 1.34 H new ATOM 2229 N GLU B 39 12.298 2.374 13.745 1.00 0.39 N ATOM 2230 CA GLU B 39 13.603 2.785 13.240 1.00 0.44 C ATOM 2231 C GLU B 39 13.452 3.595 11.960 1.00 0.44 C ATOM 2232 O GLU B 39 14.210 4.530 11.713 1.00 0.53 O ATOM 2233 CB GLU B 39 14.488 1.567 12.978 1.00 0.55 C ATOM 2234 CG GLU B 39 14.766 0.738 14.218 1.00 0.59 C ATOM 2235 CD GLU B 39 15.924 -0.215 14.024 1.00 1.16 C ATOM 2236 OE1 GLU B 39 17.086 0.242 14.066 1.00 1.59 O ATOM 2237 OE2 GLU B 39 15.683 -1.426 13.835 1.00 1.69 O ATOM 0 H GLU B 39 12.063 1.398 13.566 1.00 0.39 H new ATOM 0 HA GLU B 39 14.076 3.408 13.999 1.00 0.44 H new ATOM 0 HB2 GLU B 39 14.010 0.936 12.229 1.00 0.55 H new ATOM 0 HB3 GLU B 39 15.435 1.901 12.555 1.00 0.55 H new ATOM 0 HG2 GLU B 39 14.981 1.402 15.055 1.00 0.59 H new ATOM 0 HG3 GLU B 39 13.873 0.172 14.482 1.00 0.59 H new ATOM 2244 N LEU B 40 12.461 3.232 11.156 1.00 0.41 N ATOM 2245 CA LEU B 40 12.205 3.919 9.896 1.00 0.44 C ATOM 2246 C LEU B 40 11.413 5.199 10.136 1.00 0.40 C ATOM 2247 O LEU B 40 11.447 6.127 9.328 1.00 0.45 O ATOM 2248 CB LEU B 40 11.439 3.009 8.925 1.00 0.50 C ATOM 2249 CG LEU B 40 12.241 1.858 8.299 1.00 0.53 C ATOM 2250 CD1 LEU B 40 13.653 2.299 7.956 1.00 1.10 C ATOM 2251 CD2 LEU B 40 12.270 0.647 9.218 1.00 1.24 C ATOM 0 H LEU B 40 11.820 2.464 11.354 1.00 0.41 H new ATOM 0 HA LEU B 40 13.167 4.175 9.452 1.00 0.44 H new ATOM 0 HB2 LEU B 40 10.586 2.584 9.454 1.00 0.50 H new ATOM 0 HB3 LEU B 40 11.040 3.626 8.120 1.00 0.50 H new ATOM 0 HG LEU B 40 11.739 1.572 7.375 1.00 0.53 H new ATOM 0 HD11 LEU B 40 14.198 1.464 7.515 1.00 1.10 H new ATOM 0 HD12 LEU B 40 13.614 3.124 7.244 1.00 1.10 H new ATOM 0 HD13 LEU B 40 14.162 2.626 8.863 1.00 1.10 H new ATOM 0 HD21 LEU B 40 12.844 -0.152 8.749 1.00 1.24 H new ATOM 0 HD22 LEU B 40 12.735 0.920 10.165 1.00 1.24 H new ATOM 0 HD23 LEU B 40 11.252 0.303 9.399 1.00 1.24 H new ATOM 2263 N LEU B 41 10.703 5.242 11.256 1.00 0.34 N ATOM 2264 CA LEU B 41 9.896 6.403 11.611 1.00 0.34 C ATOM 2265 C LEU B 41 10.762 7.648 11.769 1.00 0.38 C ATOM 2266 O LEU B 41 11.631 7.707 12.640 1.00 0.43 O ATOM 2267 CB LEU B 41 9.125 6.142 12.905 1.00 0.29 C ATOM 2268 CG LEU B 41 8.065 5.044 12.823 1.00 0.28 C ATOM 2269 CD1 LEU B 41 7.404 4.854 14.176 1.00 0.30 C ATOM 2270 CD2 LEU B 41 7.030 5.378 11.759 1.00 0.30 C ATOM 0 H LEU B 41 10.670 4.483 11.937 1.00 0.34 H new ATOM 0 HA LEU B 41 9.188 6.576 10.800 1.00 0.34 H new ATOM 0 HB2 LEU B 41 9.838 5.879 13.686 1.00 0.29 H new ATOM 0 HB3 LEU B 41 8.641 7.069 13.214 1.00 0.29 H new ATOM 0 HG LEU B 41 8.550 4.110 12.541 1.00 0.28 H new ATOM 0 HD11 LEU B 41 6.651 4.069 14.106 1.00 0.30 H new ATOM 0 HD12 LEU B 41 8.156 4.570 14.912 1.00 0.30 H new ATOM 0 HD13 LEU B 41 6.930 5.786 14.483 1.00 0.30 H new ATOM 0 HD21 LEU B 41 6.284 4.585 11.716 1.00 0.30 H new ATOM 0 HD22 LEU B 41 6.543 6.321 12.008 1.00 0.30 H new ATOM 0 HD23 LEU B 41 7.521 5.468 10.790 1.00 0.30 H new ATOM 2282 N GLY B 42 10.527 8.631 10.913 1.00 0.43 N ATOM 2283 CA GLY B 42 11.282 9.866 10.972 1.00 0.51 C ATOM 2284 C GLY B 42 12.583 9.787 10.203 1.00 0.49 C ATOM 2285 O GLY B 42 13.402 10.704 10.259 1.00 0.53 O ATOM 0 H GLY B 42 9.824 8.595 10.175 1.00 0.43 H new ATOM 0 HA2 GLY B 42 10.676 10.678 10.571 1.00 0.51 H new ATOM 0 HA3 GLY B 42 11.493 10.110 12.013 1.00 0.51 H new ATOM 2289 N LYS B 43 12.779 8.691 9.486 1.00 0.46 N ATOM 2290 CA LYS B 43 13.988 8.500 8.704 1.00 0.47 C ATOM 2291 C LYS B 43 13.659 8.435 7.225 1.00 0.40 C ATOM 2292 O LYS B 43 12.515 8.180 6.844 1.00 0.50 O ATOM 2293 CB LYS B 43 14.700 7.215 9.129 1.00 0.57 C ATOM 2294 CG LYS B 43 15.343 7.291 10.505 1.00 0.73 C ATOM 2295 CD LYS B 43 16.741 7.882 10.439 1.00 0.81 C ATOM 2296 CE LYS B 43 16.709 9.399 10.495 1.00 1.70 C ATOM 2297 NZ LYS B 43 18.047 9.987 10.233 1.00 2.45 N ATOM 0 H LYS B 43 12.114 7.920 9.430 1.00 0.46 H new ATOM 0 HA LYS B 43 14.647 9.349 8.884 1.00 0.47 H new ATOM 0 HB2 LYS B 43 13.983 6.394 9.119 1.00 0.57 H new ATOM 0 HB3 LYS B 43 15.468 6.977 8.393 1.00 0.57 H new ATOM 0 HG2 LYS B 43 14.722 7.898 11.164 1.00 0.73 H new ATOM 0 HG3 LYS B 43 15.390 6.293 10.941 1.00 0.73 H new ATOM 0 HD2 LYS B 43 17.338 7.499 11.267 1.00 0.81 H new ATOM 0 HD3 LYS B 43 17.229 7.561 9.519 1.00 0.81 H new ATOM 0 HE2 LYS B 43 15.996 9.775 9.761 1.00 1.70 H new ATOM 0 HE3 LYS B 43 16.356 9.720 11.475 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 17.935 10.947 9.848 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 18.587 10.031 11.121 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 18.557 9.396 9.546 1.00 2.45 H new ATOM 2311 N ASN B 44 14.659 8.683 6.399 1.00 0.32 N ATOM 2312 CA ASN B 44 14.486 8.633 4.960 1.00 0.29 C ATOM 2313 C ASN B 44 14.937 7.274 4.446 1.00 0.28 C ATOM 2314 O ASN B 44 15.988 6.775 4.844 1.00 0.30 O ATOM 2315 CB ASN B 44 15.289 9.742 4.265 1.00 0.30 C ATOM 2316 CG ASN B 44 14.890 11.140 4.708 1.00 0.91 C ATOM 2317 OD1 ASN B 44 15.424 11.672 5.681 1.00 1.92 O ATOM 2318 ND2 ASN B 44 13.969 11.759 3.986 1.00 0.70 N ATOM 0 H ASN B 44 15.603 8.922 6.702 1.00 0.32 H new ATOM 0 HA ASN B 44 13.431 8.786 4.733 1.00 0.29 H new ATOM 0 HB2 ASN B 44 16.350 9.593 4.466 1.00 0.30 H new ATOM 0 HB3 ASN B 44 15.154 9.658 3.187 1.00 0.30 H new ATOM 0 HD21 ASN B 44 13.682 12.707 4.230 1.00 0.70 H new ATOM 0 HD22 ASN B 44 13.547 11.288 3.186 1.00 0.70 H new ATOM 2325 N ILE B 45 14.147 6.680 3.560 1.00 0.25 N ATOM 2326 CA ILE B 45 14.469 5.369 2.993 1.00 0.25 C ATOM 2327 C ILE B 45 15.840 5.378 2.304 1.00 0.24 C ATOM 2328 O ILE B 45 16.511 4.350 2.212 1.00 0.31 O ATOM 2329 CB ILE B 45 13.378 4.911 1.995 1.00 0.25 C ATOM 2330 CG1 ILE B 45 13.690 3.510 1.455 1.00 0.27 C ATOM 2331 CG2 ILE B 45 13.233 5.912 0.857 1.00 0.24 C ATOM 2332 CD1 ILE B 45 12.571 2.905 0.633 1.00 0.28 C ATOM 0 H ILE B 45 13.276 7.084 3.216 1.00 0.25 H new ATOM 0 HA ILE B 45 14.506 4.660 3.820 1.00 0.25 H new ATOM 0 HB ILE B 45 12.428 4.865 2.527 1.00 0.25 H new ATOM 0 HG12 ILE B 45 14.591 3.560 0.843 1.00 0.27 H new ATOM 0 HG13 ILE B 45 13.910 2.849 2.293 1.00 0.27 H new ATOM 0 HG21 ILE B 45 12.461 5.570 0.168 1.00 0.24 H new ATOM 0 HG22 ILE B 45 12.953 6.885 1.261 1.00 0.24 H new ATOM 0 HG23 ILE B 45 14.181 5.999 0.326 1.00 0.24 H new ATOM 0 HD11 ILE B 45 12.868 1.915 0.287 1.00 0.28 H new ATOM 0 HD12 ILE B 45 11.674 2.821 1.246 1.00 0.28 H new ATOM 0 HD13 ILE B 45 12.365 3.543 -0.227 1.00 0.28 H new ATOM 2344 N VAL B 46 16.265 6.553 1.859 1.00 0.21 N ATOM 2345 CA VAL B 46 17.543 6.699 1.177 1.00 0.23 C ATOM 2346 C VAL B 46 18.722 6.534 2.148 1.00 0.23 C ATOM 2347 O VAL B 46 19.857 6.308 1.727 1.00 0.29 O ATOM 2348 CB VAL B 46 17.630 8.067 0.455 1.00 0.26 C ATOM 2349 CG1 VAL B 46 17.839 9.207 1.444 1.00 1.08 C ATOM 2350 CG2 VAL B 46 18.729 8.058 -0.597 1.00 1.15 C ATOM 0 H VAL B 46 15.740 7.422 1.959 1.00 0.21 H new ATOM 0 HA VAL B 46 17.607 5.906 0.432 1.00 0.23 H new ATOM 0 HB VAL B 46 16.677 8.234 -0.047 1.00 0.26 H new ATOM 0 HG11 VAL B 46 17.896 10.152 0.903 1.00 1.08 H new ATOM 0 HG12 VAL B 46 17.004 9.239 2.144 1.00 1.08 H new ATOM 0 HG13 VAL B 46 18.767 9.047 1.993 1.00 1.08 H new ATOM 0 HG21 VAL B 46 18.769 9.030 -1.089 1.00 1.15 H new ATOM 0 HG22 VAL B 46 19.687 7.853 -0.120 1.00 1.15 H new ATOM 0 HG23 VAL B 46 18.519 7.285 -1.336 1.00 1.15 H new ATOM 2360 N GLU B 47 18.447 6.623 3.447 1.00 0.23 N ATOM 2361 CA GLU B 47 19.487 6.482 4.464 1.00 0.27 C ATOM 2362 C GLU B 47 19.847 5.017 4.677 1.00 0.25 C ATOM 2363 O GLU B 47 20.888 4.697 5.254 1.00 0.35 O ATOM 2364 CB GLU B 47 19.023 7.075 5.789 1.00 0.34 C ATOM 2365 CG GLU B 47 18.732 8.562 5.734 1.00 0.42 C ATOM 2366 CD GLU B 47 18.347 9.113 7.086 1.00 1.07 C ATOM 2367 OE1 GLU B 47 19.252 9.396 7.901 1.00 1.06 O ATOM 2368 OE2 GLU B 47 17.140 9.270 7.349 1.00 1.96 O ATOM 0 H GLU B 47 17.513 6.792 3.821 1.00 0.23 H new ATOM 0 HA GLU B 47 20.367 7.019 4.110 1.00 0.27 H new ATOM 0 HB2 GLU B 47 18.124 6.552 6.114 1.00 0.34 H new ATOM 0 HB3 GLU B 47 19.788 6.893 6.544 1.00 0.34 H new ATOM 0 HG2 GLU B 47 19.611 9.090 5.364 1.00 0.42 H new ATOM 0 HG3 GLU B 47 17.926 8.748 5.024 1.00 0.42 H new ATOM 2375 N PHE B 48 18.968 4.134 4.233 1.00 0.22 N ATOM 2376 CA PHE B 48 19.182 2.704 4.373 1.00 0.26 C ATOM 2377 C PHE B 48 19.300 2.072 2.995 1.00 0.26 C ATOM 2378 O PHE B 48 19.190 0.858 2.835 1.00 0.33 O ATOM 2379 CB PHE B 48 18.029 2.069 5.158 1.00 0.32 C ATOM 2380 CG PHE B 48 17.685 2.804 6.425 1.00 0.35 C ATOM 2381 CD1 PHE B 48 16.752 3.829 6.419 1.00 0.39 C ATOM 2382 CD2 PHE B 48 18.300 2.472 7.621 1.00 0.40 C ATOM 2383 CE1 PHE B 48 16.439 4.507 7.581 1.00 0.45 C ATOM 2384 CE2 PHE B 48 17.991 3.147 8.787 1.00 0.45 C ATOM 2385 CZ PHE B 48 17.060 4.166 8.767 1.00 0.46 C ATOM 0 H PHE B 48 18.095 4.385 3.770 1.00 0.22 H new ATOM 0 HA PHE B 48 20.106 2.530 4.924 1.00 0.26 H new ATOM 0 HB2 PHE B 48 17.146 2.028 4.521 1.00 0.32 H new ATOM 0 HB3 PHE B 48 18.292 1.040 5.405 1.00 0.32 H new ATOM 0 HD1 PHE B 48 16.264 4.101 5.495 1.00 0.39 H new ATOM 0 HD2 PHE B 48 19.030 1.676 7.643 1.00 0.40 H new ATOM 0 HE1 PHE B 48 15.709 5.303 7.562 1.00 0.45 H new ATOM 0 HE2 PHE B 48 18.477 2.877 9.713 1.00 0.45 H new ATOM 0 HZ PHE B 48 16.818 4.696 9.677 1.00 0.46 H new ATOM 2395 N CYS B 49 19.533 2.916 2.004 1.00 0.23 N ATOM 2396 CA CYS B 49 19.666 2.470 0.631 1.00 0.28 C ATOM 2397 C CYS B 49 21.133 2.458 0.218 1.00 0.30 C ATOM 2398 O CYS B 49 21.938 3.235 0.739 1.00 0.38 O ATOM 2399 CB CYS B 49 18.864 3.387 -0.296 1.00 0.31 C ATOM 2400 SG CYS B 49 19.029 3.003 -2.056 1.00 1.17 S ATOM 0 H CYS B 49 19.634 3.923 2.129 1.00 0.23 H new ATOM 0 HA CYS B 49 19.275 1.456 0.551 1.00 0.28 H new ATOM 0 HB2 CYS B 49 17.811 3.329 -0.021 1.00 0.31 H new ATOM 0 HB3 CYS B 49 19.180 4.417 -0.130 1.00 0.31 H new ATOM 0 HG CYS B 49 18.338 1.938 -2.334 1.00 1.17 H new ATOM 2406 N HIS B 50 21.472 1.558 -0.696 1.00 0.32 N ATOM 2407 CA HIS B 50 22.833 1.441 -1.205 1.00 0.38 C ATOM 2408 C HIS B 50 23.272 2.777 -1.805 1.00 0.32 C ATOM 2409 O HIS B 50 22.554 3.348 -2.615 1.00 0.31 O ATOM 2410 CB HIS B 50 22.880 0.335 -2.266 1.00 0.54 C ATOM 2411 CG HIS B 50 24.243 -0.222 -2.535 1.00 0.41 C ATOM 2412 ND1 HIS B 50 24.668 -0.573 -3.796 1.00 1.06 N ATOM 2413 CD2 HIS B 50 25.263 -0.524 -1.700 1.00 1.18 C ATOM 2414 CE1 HIS B 50 25.890 -1.067 -3.726 1.00 0.87 C ATOM 2415 NE2 HIS B 50 26.275 -1.045 -2.465 1.00 1.08 N ATOM 0 H HIS B 50 20.816 0.892 -1.104 1.00 0.32 H new ATOM 0 HA HIS B 50 23.513 1.184 -0.393 1.00 0.38 H new ATOM 0 HB2 HIS B 50 22.227 -0.479 -1.951 1.00 0.54 H new ATOM 0 HB3 HIS B 50 22.473 0.728 -3.198 1.00 0.54 H new ATOM 0 HD1 HIS B 50 24.123 -0.468 -4.652 1.00 1.06 H new ATOM 0 HD2 HIS B 50 25.278 -0.381 -0.630 1.00 1.18 H new ATOM 0 HE1 HIS B 50 26.475 -1.428 -4.559 1.00 0.87 H new ATOM 2424 N PRO B 51 24.441 3.298 -1.395 1.00 0.35 N ATOM 2425 CA PRO B 51 24.970 4.582 -1.886 1.00 0.38 C ATOM 2426 C PRO B 51 24.884 4.751 -3.405 1.00 0.36 C ATOM 2427 O PRO B 51 24.417 5.781 -3.894 1.00 0.46 O ATOM 2428 CB PRO B 51 26.426 4.545 -1.434 1.00 0.47 C ATOM 2429 CG PRO B 51 26.401 3.737 -0.187 1.00 0.72 C ATOM 2430 CD PRO B 51 25.338 2.692 -0.392 1.00 0.44 C ATOM 0 HA PRO B 51 24.393 5.422 -1.498 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.066 4.090 -2.190 1.00 0.47 H new ATOM 0 HB3 PRO B 51 26.812 5.548 -1.251 1.00 0.47 H new ATOM 0 HG2 PRO B 51 27.371 3.276 -0.001 1.00 0.72 H new ATOM 0 HG3 PRO B 51 26.174 4.361 0.678 1.00 0.72 H new ATOM 0 HD2 PRO B 51 25.762 1.754 -0.749 1.00 0.44 H new ATOM 0 HD3 PRO B 51 24.810 2.470 0.536 1.00 0.44 H new ATOM 2438 N GLU B 52 25.319 3.741 -4.147 1.00 0.37 N ATOM 2439 CA GLU B 52 25.292 3.796 -5.610 1.00 0.38 C ATOM 2440 C GLU B 52 23.887 3.556 -6.163 1.00 0.37 C ATOM 2441 O GLU B 52 23.686 3.509 -7.378 1.00 0.40 O ATOM 2442 CB GLU B 52 26.263 2.773 -6.201 1.00 0.45 C ATOM 2443 CG GLU B 52 27.635 2.787 -5.548 1.00 0.78 C ATOM 2444 CD GLU B 52 27.786 1.701 -4.510 1.00 1.36 C ATOM 2445 OE1 GLU B 52 27.179 1.821 -3.426 1.00 2.04 O ATOM 2446 OE2 GLU B 52 28.507 0.717 -4.780 1.00 1.70 O ATOM 0 H GLU B 52 25.695 2.873 -3.764 1.00 0.37 H new ATOM 0 HA GLU B 52 25.601 4.800 -5.902 1.00 0.38 H new ATOM 0 HB2 GLU B 52 25.833 1.777 -6.101 1.00 0.45 H new ATOM 0 HB3 GLU B 52 26.376 2.966 -7.268 1.00 0.45 H new ATOM 0 HG2 GLU B 52 28.401 2.664 -6.314 1.00 0.78 H new ATOM 0 HG3 GLU B 52 27.803 3.758 -5.082 1.00 0.78 H new ATOM 2453 N ASP B 53 22.921 3.392 -5.272 1.00 0.36 N ATOM 2454 CA ASP B 53 21.538 3.165 -5.668 1.00 0.37 C ATOM 2455 C ASP B 53 20.636 4.253 -5.099 1.00 0.38 C ATOM 2456 O ASP B 53 19.426 4.260 -5.335 1.00 0.42 O ATOM 2457 CB ASP B 53 21.058 1.792 -5.191 1.00 0.47 C ATOM 2458 CG ASP B 53 21.678 0.654 -5.973 1.00 0.48 C ATOM 2459 OD1 ASP B 53 21.243 0.402 -7.111 1.00 1.09 O ATOM 2460 OD2 ASP B 53 22.605 -0.004 -5.450 1.00 1.10 O ATOM 0 H ASP B 53 23.070 3.412 -4.263 1.00 0.36 H new ATOM 0 HA ASP B 53 21.488 3.196 -6.756 1.00 0.37 H new ATOM 0 HB2 ASP B 53 21.298 1.675 -4.134 1.00 0.47 H new ATOM 0 HB3 ASP B 53 19.973 1.740 -5.279 1.00 0.47 H new ATOM 2465 N GLN B 54 21.238 5.179 -4.356 1.00 0.41 N ATOM 2466 CA GLN B 54 20.497 6.276 -3.747 1.00 0.47 C ATOM 2467 C GLN B 54 19.860 7.144 -4.825 1.00 0.50 C ATOM 2468 O GLN B 54 18.685 7.507 -4.734 1.00 0.53 O ATOM 2469 CB GLN B 54 21.415 7.117 -2.856 1.00 0.56 C ATOM 2470 CG GLN B 54 21.895 6.377 -1.618 1.00 0.65 C ATOM 2471 CD GLN B 54 22.880 7.179 -0.790 1.00 0.69 C ATOM 2472 OE1 GLN B 54 23.598 8.035 -1.306 1.00 1.10 O ATOM 2473 NE2 GLN B 54 22.932 6.895 0.501 1.00 0.80 N ATOM 0 H GLN B 54 22.239 5.189 -4.162 1.00 0.41 H new ATOM 0 HA GLN B 54 19.707 5.857 -3.124 1.00 0.47 H new ATOM 0 HB2 GLN B 54 22.280 7.437 -3.437 1.00 0.56 H new ATOM 0 HB3 GLN B 54 20.885 8.019 -2.549 1.00 0.56 H new ATOM 0 HG2 GLN B 54 21.035 6.119 -1.000 1.00 0.65 H new ATOM 0 HG3 GLN B 54 22.362 5.440 -1.921 1.00 0.65 H new ATOM 0 HE21 GLN B 54 22.320 6.178 0.891 1.00 0.80 H new ATOM 0 HE22 GLN B 54 23.584 7.393 1.107 1.00 0.80 H new ATOM 2482 N GLN B 55 20.639 7.457 -5.853 1.00 0.54 N ATOM 2483 CA GLN B 55 20.147 8.259 -6.963 1.00 0.61 C ATOM 2484 C GLN B 55 19.071 7.487 -7.718 1.00 0.52 C ATOM 2485 O GLN B 55 18.105 8.068 -8.210 1.00 0.52 O ATOM 2486 CB GLN B 55 21.297 8.641 -7.902 1.00 0.76 C ATOM 2487 CG GLN B 55 20.868 9.485 -9.097 1.00 1.33 C ATOM 2488 CD GLN B 55 20.034 10.696 -8.706 1.00 1.73 C ATOM 2489 OE1 GLN B 55 20.174 11.239 -7.608 1.00 2.72 O ATOM 2490 NE2 GLN B 55 19.160 11.128 -9.603 1.00 1.51 N ATOM 0 H GLN B 55 21.613 7.167 -5.940 1.00 0.54 H new ATOM 0 HA GLN B 55 19.712 9.178 -6.571 1.00 0.61 H new ATOM 0 HB2 GLN B 55 22.049 9.189 -7.334 1.00 0.76 H new ATOM 0 HB3 GLN B 55 21.773 7.730 -8.266 1.00 0.76 H new ATOM 0 HG2 GLN B 55 21.755 9.821 -9.634 1.00 1.33 H new ATOM 0 HG3 GLN B 55 20.295 8.864 -9.785 1.00 1.33 H new ATOM 0 HE21 GLN B 55 19.073 10.652 -10.501 1.00 1.51 H new ATOM 0 HE22 GLN B 55 18.574 11.937 -9.396 1.00 1.51 H new ATOM 2499 N LEU B 56 19.234 6.169 -7.779 1.00 0.51 N ATOM 2500 CA LEU B 56 18.272 5.305 -8.455 1.00 0.51 C ATOM 2501 C LEU B 56 16.921 5.392 -7.755 1.00 0.42 C ATOM 2502 O LEU B 56 15.874 5.450 -8.401 1.00 0.42 O ATOM 2503 CB LEU B 56 18.773 3.857 -8.477 1.00 0.60 C ATOM 2504 CG LEU B 56 17.825 2.845 -9.125 1.00 0.63 C ATOM 2505 CD1 LEU B 56 17.658 3.140 -10.608 1.00 1.29 C ATOM 2506 CD2 LEU B 56 18.340 1.430 -8.915 1.00 1.42 C ATOM 0 H LEU B 56 20.026 5.675 -7.367 1.00 0.51 H new ATOM 0 HA LEU B 56 18.159 5.641 -9.486 1.00 0.51 H new ATOM 0 HB2 LEU B 56 19.725 3.828 -9.006 1.00 0.60 H new ATOM 0 HB3 LEU B 56 18.968 3.542 -7.452 1.00 0.60 H new ATOM 0 HG LEU B 56 16.848 2.932 -8.649 1.00 0.63 H new ATOM 0 HD11 LEU B 56 16.981 2.410 -11.050 1.00 1.29 H new ATOM 0 HD12 LEU B 56 17.246 4.141 -10.736 1.00 1.29 H new ATOM 0 HD13 LEU B 56 18.628 3.081 -11.102 1.00 1.29 H new ATOM 0 HD21 LEU B 56 17.656 0.721 -9.381 1.00 1.42 H new ATOM 0 HD22 LEU B 56 19.327 1.332 -9.366 1.00 1.42 H new ATOM 0 HD23 LEU B 56 18.406 1.222 -7.847 1.00 1.42 H new ATOM 2518 N LEU B 57 16.956 5.406 -6.427 1.00 0.40 N ATOM 2519 CA LEU B 57 15.740 5.514 -5.636 1.00 0.39 C ATOM 2520 C LEU B 57 15.089 6.870 -5.871 1.00 0.37 C ATOM 2521 O LEU B 57 13.883 6.959 -6.095 1.00 0.39 O ATOM 2522 CB LEU B 57 16.039 5.339 -4.144 1.00 0.48 C ATOM 2523 CG LEU B 57 15.528 4.039 -3.518 1.00 0.60 C ATOM 2524 CD1 LEU B 57 15.581 4.124 -2.001 1.00 1.01 C ATOM 2525 CD2 LEU B 57 14.112 3.734 -3.984 1.00 1.15 C ATOM 0 H LEU B 57 17.813 5.344 -5.878 1.00 0.40 H new ATOM 0 HA LEU B 57 15.059 4.722 -5.947 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.118 5.392 -3.999 1.00 0.48 H new ATOM 0 HB3 LEU B 57 15.603 6.179 -3.603 1.00 0.48 H new ATOM 0 HG LEU B 57 16.176 3.226 -3.844 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.214 3.192 -1.571 1.00 1.01 H new ATOM 0 HD12 LEU B 57 16.610 4.291 -1.682 1.00 1.01 H new ATOM 0 HD13 LEU B 57 14.957 4.950 -1.661 1.00 1.01 H new ATOM 0 HD21 LEU B 57 13.770 2.806 -3.526 1.00 1.15 H new ATOM 0 HD22 LEU B 57 13.449 4.548 -3.691 1.00 1.15 H new ATOM 0 HD23 LEU B 57 14.101 3.629 -5.069 1.00 1.15 H new ATOM 2537 N ARG B 58 15.905 7.920 -5.830 1.00 0.42 N ATOM 2538 CA ARG B 58 15.422 9.280 -6.041 1.00 0.50 C ATOM 2539 C ARG B 58 14.800 9.419 -7.427 1.00 0.44 C ATOM 2540 O ARG B 58 13.701 9.952 -7.568 1.00 0.44 O ATOM 2541 CB ARG B 58 16.564 10.286 -5.872 1.00 0.65 C ATOM 2542 CG ARG B 58 16.118 11.738 -5.956 1.00 1.08 C ATOM 2543 CD ARG B 58 17.284 12.687 -5.738 1.00 1.12 C ATOM 2544 NE ARG B 58 16.877 14.089 -5.823 1.00 1.90 N ATOM 2545 CZ ARG B 58 17.688 15.077 -6.200 1.00 2.21 C ATOM 2546 NH1 ARG B 58 18.950 14.819 -6.522 1.00 1.97 N ATOM 2547 NH2 ARG B 58 17.236 16.322 -6.257 1.00 3.01 N ATOM 0 H ARG B 58 16.907 7.854 -5.652 1.00 0.42 H new ATOM 0 HA ARG B 58 14.657 9.491 -5.294 1.00 0.50 H new ATOM 0 HB2 ARG B 58 17.045 10.118 -4.908 1.00 0.65 H new ATOM 0 HB3 ARG B 58 17.316 10.101 -6.639 1.00 0.65 H new ATOM 0 HG2 ARG B 58 15.670 11.927 -6.931 1.00 1.08 H new ATOM 0 HG3 ARG B 58 15.347 11.928 -5.209 1.00 1.08 H new ATOM 0 HD2 ARG B 58 17.727 12.497 -4.760 1.00 1.12 H new ATOM 0 HD3 ARG B 58 18.056 12.489 -6.482 1.00 1.12 H new ATOM 0 HE ARG B 58 15.915 14.325 -5.579 1.00 1.90 H new ATOM 0 HH11 ARG B 58 19.301 13.862 -6.481 1.00 1.97 H new ATOM 0 HH12 ARG B 58 19.568 15.577 -6.810 1.00 1.97 H new ATOM 0 HH21 ARG B 58 16.267 16.524 -6.012 1.00 3.01 H new ATOM 0 HH22 ARG B 58 17.858 17.077 -6.546 1.00 3.01 H new ATOM 2561 N ASP B 59 15.501 8.913 -8.439 1.00 0.42 N ATOM 2562 CA ASP B 59 15.025 8.970 -9.820 1.00 0.43 C ATOM 2563 C ASP B 59 13.690 8.244 -9.961 1.00 0.37 C ATOM 2564 O ASP B 59 12.825 8.651 -10.737 1.00 0.39 O ATOM 2565 CB ASP B 59 16.063 8.357 -10.765 1.00 0.49 C ATOM 2566 CG ASP B 59 15.645 8.420 -12.222 1.00 0.58 C ATOM 2567 OD1 ASP B 59 15.344 9.529 -12.717 1.00 0.76 O ATOM 2568 OD2 ASP B 59 15.625 7.360 -12.885 1.00 0.78 O ATOM 0 H ASP B 59 16.406 8.456 -8.328 1.00 0.42 H new ATOM 0 HA ASP B 59 14.878 10.016 -10.089 1.00 0.43 H new ATOM 0 HB2 ASP B 59 17.012 8.879 -10.642 1.00 0.49 H new ATOM 0 HB3 ASP B 59 16.232 7.317 -10.485 1.00 0.49 H new ATOM 2573 N SER B 60 13.519 7.173 -9.192 1.00 0.33 N ATOM 2574 CA SER B 60 12.284 6.404 -9.220 1.00 0.33 C ATOM 2575 C SER B 60 11.166 7.157 -8.499 1.00 0.28 C ATOM 2576 O SER B 60 10.019 7.167 -8.952 1.00 0.29 O ATOM 2577 CB SER B 60 12.496 5.035 -8.574 1.00 0.39 C ATOM 2578 OG SER B 60 13.563 4.338 -9.199 1.00 1.41 O ATOM 0 H SER B 60 14.222 6.820 -8.542 1.00 0.33 H new ATOM 0 HA SER B 60 11.992 6.261 -10.260 1.00 0.33 H new ATOM 0 HB2 SER B 60 12.710 5.159 -7.512 1.00 0.39 H new ATOM 0 HB3 SER B 60 11.580 4.448 -8.648 1.00 0.39 H new ATOM 0 HG SER B 60 14.414 4.621 -8.804 1.00 1.41 H new ATOM 2584 N PHE B 61 11.511 7.797 -7.383 1.00 0.30 N ATOM 2585 CA PHE B 61 10.541 8.559 -6.605 1.00 0.32 C ATOM 2586 C PHE B 61 10.042 9.758 -7.399 1.00 0.33 C ATOM 2587 O PHE B 61 8.841 10.015 -7.453 1.00 0.34 O ATOM 2588 CB PHE B 61 11.146 9.016 -5.275 1.00 0.39 C ATOM 2589 CG PHE B 61 11.293 7.904 -4.275 1.00 0.43 C ATOM 2590 CD1 PHE B 61 10.348 6.893 -4.204 1.00 0.62 C ATOM 2591 CD2 PHE B 61 12.376 7.866 -3.412 1.00 0.59 C ATOM 2592 CE1 PHE B 61 10.479 5.865 -3.291 1.00 0.70 C ATOM 2593 CE2 PHE B 61 12.513 6.840 -2.498 1.00 0.65 C ATOM 2594 CZ PHE B 61 11.563 5.839 -2.437 1.00 0.60 C ATOM 0 H PHE B 61 12.456 7.802 -6.999 1.00 0.30 H new ATOM 0 HA PHE B 61 9.694 7.907 -6.390 1.00 0.32 H new ATOM 0 HB2 PHE B 61 12.124 9.459 -5.462 1.00 0.39 H new ATOM 0 HB3 PHE B 61 10.518 9.798 -4.848 1.00 0.39 H new ATOM 0 HD1 PHE B 61 9.499 6.909 -4.871 1.00 0.62 H new ATOM 0 HD2 PHE B 61 13.121 8.647 -3.454 1.00 0.59 H new ATOM 0 HE1 PHE B 61 9.735 5.083 -3.245 1.00 0.70 H new ATOM 0 HE2 PHE B 61 13.362 6.820 -1.831 1.00 0.65 H new ATOM 0 HZ PHE B 61 11.668 5.037 -1.722 1.00 0.60 H new ATOM 2604 N GLN B 62 10.962 10.480 -8.026 1.00 0.35 N ATOM 2605 CA GLN B 62 10.594 11.637 -8.831 1.00 0.41 C ATOM 2606 C GLN B 62 9.705 11.195 -9.989 1.00 0.37 C ATOM 2607 O GLN B 62 8.723 11.856 -10.325 1.00 0.40 O ATOM 2608 CB GLN B 62 11.841 12.352 -9.361 1.00 0.52 C ATOM 2609 CG GLN B 62 12.766 12.867 -8.265 1.00 0.79 C ATOM 2610 CD GLN B 62 12.066 13.789 -7.285 1.00 1.44 C ATOM 2611 OE1 GLN B 62 11.523 13.346 -6.272 1.00 2.08 O ATOM 2612 NE2 GLN B 62 12.081 15.079 -7.576 1.00 2.12 N ATOM 0 H GLN B 62 11.963 10.286 -7.993 1.00 0.35 H new ATOM 0 HA GLN B 62 10.044 12.338 -8.203 1.00 0.41 H new ATOM 0 HB2 GLN B 62 12.397 11.667 -10.001 1.00 0.52 H new ATOM 0 HB3 GLN B 62 11.530 13.190 -9.985 1.00 0.52 H new ATOM 0 HG2 GLN B 62 13.185 12.019 -7.723 1.00 0.79 H new ATOM 0 HG3 GLN B 62 13.601 13.398 -8.722 1.00 0.79 H new ATOM 0 HE21 GLN B 62 12.542 15.405 -8.426 1.00 2.12 H new ATOM 0 HE22 GLN B 62 11.632 15.748 -6.951 1.00 2.12 H new ATOM 2621 N GLN B 63 10.046 10.051 -10.572 1.00 0.34 N ATOM 2622 CA GLN B 63 9.284 9.499 -11.682 1.00 0.36 C ATOM 2623 C GLN B 63 7.863 9.159 -11.256 1.00 0.29 C ATOM 2624 O GLN B 63 6.907 9.516 -11.940 1.00 0.32 O ATOM 2625 CB GLN B 63 9.958 8.245 -12.225 1.00 0.44 C ATOM 2626 CG GLN B 63 10.862 8.497 -13.414 1.00 0.66 C ATOM 2627 CD GLN B 63 11.507 7.226 -13.922 1.00 0.76 C ATOM 2628 OE1 GLN B 63 10.969 6.546 -14.799 1.00 1.33 O ATOM 2629 NE2 GLN B 63 12.661 6.894 -13.371 1.00 1.23 N ATOM 0 H GLN B 63 10.849 9.487 -10.292 1.00 0.34 H new ATOM 0 HA GLN B 63 9.247 10.258 -12.463 1.00 0.36 H new ATOM 0 HB2 GLN B 63 10.543 7.785 -11.428 1.00 0.44 H new ATOM 0 HB3 GLN B 63 9.190 7.527 -12.512 1.00 0.44 H new ATOM 0 HG2 GLN B 63 10.284 8.955 -14.217 1.00 0.66 H new ATOM 0 HG3 GLN B 63 11.638 9.209 -13.134 1.00 0.66 H new ATOM 0 HE21 GLN B 63 13.070 7.486 -12.648 1.00 1.23 H new ATOM 0 HE22 GLN B 63 13.143 6.046 -13.668 1.00 1.23 H new ATOM 2638 N VAL B 64 7.726 8.477 -10.120 1.00 0.26 N ATOM 2639 CA VAL B 64 6.411 8.087 -9.627 1.00 0.26 C ATOM 2640 C VAL B 64 5.550 9.315 -9.334 1.00 0.26 C ATOM 2641 O VAL B 64 4.328 9.277 -9.504 1.00 0.28 O ATOM 2642 CB VAL B 64 6.498 7.160 -8.385 1.00 0.28 C ATOM 2643 CG1 VAL B 64 6.621 7.941 -7.084 1.00 0.31 C ATOM 2644 CG2 VAL B 64 5.297 6.234 -8.339 1.00 0.30 C ATOM 0 H VAL B 64 8.505 8.186 -9.529 1.00 0.26 H new ATOM 0 HA VAL B 64 5.932 7.512 -10.420 1.00 0.26 H new ATOM 0 HB VAL B 64 7.407 6.567 -8.486 1.00 0.28 H new ATOM 0 HG11 VAL B 64 6.678 7.246 -6.246 1.00 0.31 H new ATOM 0 HG12 VAL B 64 7.523 8.552 -7.111 1.00 0.31 H new ATOM 0 HG13 VAL B 64 5.750 8.585 -6.962 1.00 0.31 H new ATOM 0 HG21 VAL B 64 5.369 5.588 -7.464 1.00 0.30 H new ATOM 0 HG22 VAL B 64 4.383 6.826 -8.280 1.00 0.30 H new ATOM 0 HG23 VAL B 64 5.275 5.622 -9.241 1.00 0.30 H new ATOM 2654 N VAL B 65 6.192 10.410 -8.924 1.00 0.29 N ATOM 2655 CA VAL B 65 5.483 11.653 -8.642 1.00 0.33 C ATOM 2656 C VAL B 65 4.966 12.255 -9.947 1.00 0.37 C ATOM 2657 O VAL B 65 3.907 12.880 -9.987 1.00 0.45 O ATOM 2658 CB VAL B 65 6.387 12.674 -7.908 1.00 0.40 C ATOM 2659 CG1 VAL B 65 5.710 14.033 -7.794 1.00 0.48 C ATOM 2660 CG2 VAL B 65 6.759 12.158 -6.527 1.00 0.39 C ATOM 0 H VAL B 65 7.201 10.459 -8.781 1.00 0.29 H new ATOM 0 HA VAL B 65 4.645 11.422 -7.984 1.00 0.33 H new ATOM 0 HB VAL B 65 7.295 12.797 -8.498 1.00 0.40 H new ATOM 0 HG11 VAL B 65 6.371 14.726 -7.274 1.00 0.48 H new ATOM 0 HG12 VAL B 65 5.494 14.417 -8.791 1.00 0.48 H new ATOM 0 HG13 VAL B 65 4.780 13.930 -7.235 1.00 0.48 H new ATOM 0 HG21 VAL B 65 7.394 12.888 -6.025 1.00 0.39 H new ATOM 0 HG22 VAL B 65 5.853 12.001 -5.941 1.00 0.39 H new ATOM 0 HG23 VAL B 65 7.296 11.215 -6.624 1.00 0.39 H new ATOM 2670 N LYS B 66 5.722 12.040 -11.016 1.00 0.37 N ATOM 2671 CA LYS B 66 5.352 12.532 -12.337 1.00 0.45 C ATOM 2672 C LYS B 66 4.258 11.654 -12.938 1.00 0.41 C ATOM 2673 O LYS B 66 3.484 12.095 -13.789 1.00 0.49 O ATOM 2674 CB LYS B 66 6.574 12.542 -13.260 1.00 0.57 C ATOM 2675 CG LYS B 66 7.629 13.570 -12.880 1.00 0.74 C ATOM 2676 CD LYS B 66 8.985 13.238 -13.492 1.00 0.67 C ATOM 2677 CE LYS B 66 8.910 13.132 -15.008 1.00 1.44 C ATOM 2678 NZ LYS B 66 10.223 12.782 -15.612 1.00 2.19 N ATOM 0 H LYS B 66 6.602 11.524 -10.993 1.00 0.37 H new ATOM 0 HA LYS B 66 4.976 13.550 -12.236 1.00 0.45 H new ATOM 0 HB2 LYS B 66 7.028 11.551 -13.255 1.00 0.57 H new ATOM 0 HB3 LYS B 66 6.244 12.736 -14.281 1.00 0.57 H new ATOM 0 HG2 LYS B 66 7.311 14.558 -13.213 1.00 0.74 H new ATOM 0 HG3 LYS B 66 7.720 13.614 -11.795 1.00 0.74 H new ATOM 0 HD2 LYS B 66 9.706 14.007 -13.217 1.00 0.67 H new ATOM 0 HD3 LYS B 66 9.349 12.297 -13.079 1.00 0.67 H new ATOM 0 HE2 LYS B 66 8.173 12.377 -15.282 1.00 1.44 H new ATOM 0 HE3 LYS B 66 8.563 14.080 -15.420 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 10.124 12.721 -16.645 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 10.921 13.515 -15.374 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 10.543 11.865 -15.240 1.00 2.19 H new ATOM 2692 N LEU B 67 4.208 10.405 -12.489 1.00 0.39 N ATOM 2693 CA LEU B 67 3.222 9.445 -12.968 1.00 0.43 C ATOM 2694 C LEU B 67 1.844 9.732 -12.376 1.00 0.62 C ATOM 2695 O LEU B 67 0.885 9.967 -13.113 1.00 1.30 O ATOM 2696 CB LEU B 67 3.660 8.021 -12.610 1.00 0.59 C ATOM 2697 CG LEU B 67 4.966 7.558 -13.259 1.00 0.54 C ATOM 2698 CD1 LEU B 67 5.473 6.289 -12.591 1.00 0.74 C ATOM 2699 CD2 LEU B 67 4.769 7.334 -14.749 1.00 0.79 C ATOM 0 H LEU B 67 4.846 10.031 -11.787 1.00 0.39 H new ATOM 0 HA LEU B 67 3.153 9.539 -14.052 1.00 0.43 H new ATOM 0 HB2 LEU B 67 3.767 7.952 -11.527 1.00 0.59 H new ATOM 0 HB3 LEU B 67 2.866 7.331 -12.896 1.00 0.59 H new ATOM 0 HG LEU B 67 5.714 8.339 -13.124 1.00 0.54 H new ATOM 0 HD11 LEU B 67 6.402 5.974 -13.066 1.00 0.74 H new ATOM 0 HD12 LEU B 67 5.653 6.481 -11.533 1.00 0.74 H new ATOM 0 HD13 LEU B 67 4.728 5.500 -12.695 1.00 0.74 H new ATOM 0 HD21 LEU B 67 5.708 7.005 -15.195 1.00 0.79 H new ATOM 0 HD22 LEU B 67 4.006 6.571 -14.905 1.00 0.79 H new ATOM 0 HD23 LEU B 67 4.451 8.265 -15.218 1.00 0.79 H new ATOM 2711 N LYS B 68 1.768 9.725 -11.042 1.00 0.48 N ATOM 2712 CA LYS B 68 0.519 9.974 -10.313 1.00 0.55 C ATOM 2713 C LYS B 68 -0.519 8.891 -10.602 1.00 0.47 C ATOM 2714 O LYS B 68 -1.152 8.880 -11.659 1.00 0.50 O ATOM 2715 CB LYS B 68 -0.053 11.355 -10.647 1.00 0.69 C ATOM 2716 CG LYS B 68 0.686 12.497 -9.978 1.00 0.56 C ATOM 2717 CD LYS B 68 0.064 13.837 -10.326 1.00 0.67 C ATOM 2718 CE LYS B 68 0.618 14.952 -9.455 1.00 0.69 C ATOM 2719 NZ LYS B 68 -0.011 16.261 -9.767 1.00 1.04 N ATOM 0 H LYS B 68 2.569 9.547 -10.437 1.00 0.48 H new ATOM 0 HA LYS B 68 0.756 9.947 -9.250 1.00 0.55 H new ATOM 0 HB2 LYS B 68 -0.025 11.499 -11.727 1.00 0.69 H new ATOM 0 HB3 LYS B 68 -1.101 11.387 -10.348 1.00 0.69 H new ATOM 0 HG2 LYS B 68 0.673 12.358 -8.897 1.00 0.56 H new ATOM 0 HG3 LYS B 68 1.731 12.488 -10.288 1.00 0.56 H new ATOM 0 HD2 LYS B 68 0.253 14.065 -11.375 1.00 0.67 H new ATOM 0 HD3 LYS B 68 -1.017 13.780 -10.202 1.00 0.67 H new ATOM 0 HE2 LYS B 68 0.451 14.710 -8.405 1.00 0.69 H new ATOM 0 HE3 LYS B 68 1.696 15.024 -9.598 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 -0.230 16.761 -8.882 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 0.644 16.834 -10.336 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 -0.889 16.105 -10.303 1.00 1.04 H new ATOM 2733 N GLY B 69 -0.694 7.984 -9.652 1.00 0.50 N ATOM 2734 CA GLY B 69 -1.650 6.905 -9.827 1.00 0.59 C ATOM 2735 C GLY B 69 -1.048 5.749 -10.597 1.00 0.54 C ATOM 2736 O GLY B 69 -1.757 4.980 -11.249 1.00 0.57 O ATOM 0 H GLY B 69 -0.193 7.974 -8.764 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -1.989 6.556 -8.852 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -2.528 7.277 -10.355 1.00 0.59 H new ATOM 2740 N GLN B 70 0.267 5.640 -10.525 1.00 0.50 N ATOM 2741 CA GLN B 70 0.996 4.587 -11.206 1.00 0.46 C ATOM 2742 C GLN B 70 2.009 3.973 -10.249 1.00 0.38 C ATOM 2743 O GLN B 70 2.470 4.637 -9.319 1.00 0.37 O ATOM 2744 CB GLN B 70 1.693 5.160 -12.445 1.00 0.50 C ATOM 2745 CG GLN B 70 2.582 4.169 -13.179 1.00 1.31 C ATOM 2746 CD GLN B 70 1.807 3.035 -13.817 1.00 1.89 C ATOM 2747 OE1 GLN B 70 1.532 2.019 -13.178 1.00 2.68 O ATOM 2748 NE2 GLN B 70 1.462 3.191 -15.082 1.00 2.32 N ATOM 0 H GLN B 70 0.858 6.279 -9.993 1.00 0.50 H new ATOM 0 HA GLN B 70 0.306 3.808 -11.530 1.00 0.46 H new ATOM 0 HB2 GLN B 70 0.935 5.530 -13.135 1.00 0.50 H new ATOM 0 HB3 GLN B 70 2.296 6.017 -12.144 1.00 0.50 H new ATOM 0 HG2 GLN B 70 3.144 4.696 -13.950 1.00 1.31 H new ATOM 0 HG3 GLN B 70 3.310 3.756 -12.480 1.00 1.31 H new ATOM 0 HE21 GLN B 70 1.709 4.048 -15.576 1.00 2.32 H new ATOM 0 HE22 GLN B 70 0.948 2.454 -15.565 1.00 2.32 H new ATOM 2757 N VAL B 71 2.337 2.710 -10.466 1.00 0.36 N ATOM 2758 CA VAL B 71 3.289 2.015 -9.619 1.00 0.32 C ATOM 2759 C VAL B 71 4.603 1.780 -10.364 1.00 0.31 C ATOM 2760 O VAL B 71 4.617 1.259 -11.480 1.00 0.39 O ATOM 2761 CB VAL B 71 2.712 0.672 -9.110 1.00 0.38 C ATOM 2762 CG1 VAL B 71 2.258 -0.204 -10.268 1.00 1.28 C ATOM 2763 CG2 VAL B 71 3.724 -0.059 -8.235 1.00 1.35 C ATOM 0 H VAL B 71 1.956 2.144 -11.225 1.00 0.36 H new ATOM 0 HA VAL B 71 3.486 2.648 -8.754 1.00 0.32 H new ATOM 0 HB VAL B 71 1.837 0.894 -8.499 1.00 0.38 H new ATOM 0 HG11 VAL B 71 1.857 -1.141 -9.880 1.00 1.28 H new ATOM 0 HG12 VAL B 71 1.485 0.314 -10.835 1.00 1.28 H new ATOM 0 HG13 VAL B 71 3.106 -0.414 -10.919 1.00 1.28 H new ATOM 0 HG21 VAL B 71 3.294 -1.000 -7.890 1.00 1.35 H new ATOM 0 HG22 VAL B 71 4.625 -0.262 -8.813 1.00 1.35 H new ATOM 0 HG23 VAL B 71 3.977 0.561 -7.375 1.00 1.35 H new ATOM 2773 N LEU B 72 5.702 2.180 -9.750 1.00 0.27 N ATOM 2774 CA LEU B 72 7.017 2.016 -10.348 1.00 0.29 C ATOM 2775 C LEU B 72 7.893 1.133 -9.468 1.00 0.31 C ATOM 2776 O LEU B 72 8.266 1.521 -8.359 1.00 0.44 O ATOM 2777 CB LEU B 72 7.683 3.379 -10.557 1.00 0.35 C ATOM 2778 CG LEU B 72 8.945 3.361 -11.423 1.00 0.44 C ATOM 2779 CD1 LEU B 72 8.603 2.996 -12.859 1.00 1.37 C ATOM 2780 CD2 LEU B 72 9.647 4.708 -11.364 1.00 1.05 C ATOM 0 H LEU B 72 5.710 2.624 -8.832 1.00 0.27 H new ATOM 0 HA LEU B 72 6.897 1.534 -11.318 1.00 0.29 H new ATOM 0 HB2 LEU B 72 6.958 4.054 -11.013 1.00 0.35 H new ATOM 0 HB3 LEU B 72 7.936 3.795 -9.582 1.00 0.35 H new ATOM 0 HG LEU B 72 9.623 2.602 -11.031 1.00 0.44 H new ATOM 0 HD11 LEU B 72 9.513 2.988 -13.459 1.00 1.37 H new ATOM 0 HD12 LEU B 72 8.144 2.008 -12.884 1.00 1.37 H new ATOM 0 HD13 LEU B 72 7.907 3.730 -13.265 1.00 1.37 H new ATOM 0 HD21 LEU B 72 10.542 4.679 -11.985 1.00 1.05 H new ATOM 0 HD22 LEU B 72 8.976 5.484 -11.731 1.00 1.05 H new ATOM 0 HD23 LEU B 72 9.927 4.928 -10.334 1.00 1.05 H new ATOM 2792 N SER B 73 8.203 -0.057 -9.954 1.00 0.27 N ATOM 2793 CA SER B 73 9.031 -0.988 -9.208 1.00 0.33 C ATOM 2794 C SER B 73 10.509 -0.772 -9.524 1.00 0.28 C ATOM 2795 O SER B 73 10.909 -0.731 -10.688 1.00 0.31 O ATOM 2796 CB SER B 73 8.621 -2.429 -9.525 1.00 0.48 C ATOM 2797 OG SER B 73 7.241 -2.637 -9.263 1.00 1.38 O ATOM 0 H SER B 73 7.893 -0.401 -10.863 1.00 0.27 H new ATOM 0 HA SER B 73 8.882 -0.806 -8.144 1.00 0.33 H new ATOM 0 HB2 SER B 73 8.833 -2.649 -10.571 1.00 0.48 H new ATOM 0 HB3 SER B 73 9.216 -3.120 -8.927 1.00 0.48 H new ATOM 0 HG SER B 73 7.004 -3.564 -9.475 1.00 1.38 H new ATOM 2803 N VAL B 74 11.309 -0.603 -8.484 1.00 0.29 N ATOM 2804 CA VAL B 74 12.740 -0.403 -8.642 1.00 0.28 C ATOM 2805 C VAL B 74 13.506 -1.484 -7.884 1.00 0.23 C ATOM 2806 O VAL B 74 13.222 -1.757 -6.718 1.00 0.24 O ATOM 2807 CB VAL B 74 13.173 1.006 -8.164 1.00 0.34 C ATOM 2808 CG1 VAL B 74 12.669 1.295 -6.757 1.00 0.35 C ATOM 2809 CG2 VAL B 74 14.684 1.167 -8.240 1.00 0.41 C ATOM 0 H VAL B 74 10.989 -0.600 -7.516 1.00 0.29 H new ATOM 0 HA VAL B 74 12.976 -0.477 -9.704 1.00 0.28 H new ATOM 0 HB VAL B 74 12.719 1.734 -8.836 1.00 0.34 H new ATOM 0 HG11 VAL B 74 12.990 2.291 -6.453 1.00 0.35 H new ATOM 0 HG12 VAL B 74 11.580 1.245 -6.743 1.00 0.35 H new ATOM 0 HG13 VAL B 74 13.075 0.556 -6.066 1.00 0.35 H new ATOM 0 HG21 VAL B 74 14.961 2.164 -7.899 1.00 0.41 H new ATOM 0 HG22 VAL B 74 15.162 0.421 -7.605 1.00 0.41 H new ATOM 0 HG23 VAL B 74 15.013 1.031 -9.270 1.00 0.41 H new ATOM 2819 N MET B 75 14.452 -2.119 -8.557 1.00 0.21 N ATOM 2820 CA MET B 75 15.246 -3.172 -7.945 1.00 0.20 C ATOM 2821 C MET B 75 16.618 -2.639 -7.552 1.00 0.20 C ATOM 2822 O MET B 75 17.452 -2.350 -8.409 1.00 0.24 O ATOM 2823 CB MET B 75 15.387 -4.357 -8.906 1.00 0.26 C ATOM 2824 CG MET B 75 16.097 -5.560 -8.304 1.00 0.29 C ATOM 2825 SD MET B 75 16.147 -6.968 -9.433 1.00 0.41 S ATOM 2826 CE MET B 75 17.181 -8.110 -8.520 1.00 0.41 C ATOM 0 H MET B 75 14.689 -1.923 -9.529 1.00 0.21 H new ATOM 0 HA MET B 75 14.737 -3.515 -7.044 1.00 0.20 H new ATOM 0 HB2 MET B 75 14.395 -4.662 -9.238 1.00 0.26 H new ATOM 0 HB3 MET B 75 15.933 -4.031 -9.791 1.00 0.26 H new ATOM 0 HG2 MET B 75 17.115 -5.279 -8.033 1.00 0.29 H new ATOM 0 HG3 MET B 75 15.591 -5.854 -7.384 1.00 0.29 H new ATOM 0 HE1 MET B 75 16.874 -9.133 -8.738 1.00 0.41 H new ATOM 0 HE2 MET B 75 18.222 -7.973 -8.814 1.00 0.41 H new ATOM 0 HE3 MET B 75 17.078 -7.920 -7.452 1.00 0.41 H new ATOM 2836 N PHE B 76 16.836 -2.500 -6.257 1.00 0.21 N ATOM 2837 CA PHE B 76 18.099 -1.998 -5.740 1.00 0.23 C ATOM 2838 C PHE B 76 18.498 -2.779 -4.495 1.00 0.22 C ATOM 2839 O PHE B 76 17.832 -3.747 -4.126 1.00 0.21 O ATOM 2840 CB PHE B 76 17.991 -0.499 -5.418 1.00 0.26 C ATOM 2841 CG PHE B 76 16.980 -0.171 -4.348 1.00 0.27 C ATOM 2842 CD1 PHE B 76 15.628 -0.107 -4.647 1.00 0.31 C ATOM 2843 CD2 PHE B 76 17.383 0.068 -3.043 1.00 0.31 C ATOM 2844 CE1 PHE B 76 14.700 0.188 -3.668 1.00 0.37 C ATOM 2845 CE2 PHE B 76 16.458 0.364 -2.060 1.00 0.36 C ATOM 2846 CZ PHE B 76 15.115 0.424 -2.373 1.00 0.38 C ATOM 0 H PHE B 76 16.150 -2.729 -5.538 1.00 0.21 H new ATOM 0 HA PHE B 76 18.867 -2.131 -6.502 1.00 0.23 H new ATOM 0 HB2 PHE B 76 18.969 -0.134 -5.103 1.00 0.26 H new ATOM 0 HB3 PHE B 76 17.728 0.039 -6.329 1.00 0.26 H new ATOM 0 HD1 PHE B 76 15.296 -0.290 -5.658 1.00 0.31 H new ATOM 0 HD2 PHE B 76 18.432 0.022 -2.792 1.00 0.31 H new ATOM 0 HE1 PHE B 76 13.650 0.234 -3.916 1.00 0.37 H new ATOM 0 HE2 PHE B 76 16.786 0.548 -1.048 1.00 0.36 H new ATOM 0 HZ PHE B 76 14.390 0.655 -1.606 1.00 0.38 H new ATOM 2856 N ARG B 77 19.575 -2.361 -3.852 1.00 0.25 N ATOM 2857 CA ARG B 77 20.047 -3.025 -2.647 1.00 0.25 C ATOM 2858 C ARG B 77 19.714 -2.199 -1.412 1.00 0.23 C ATOM 2859 O ARG B 77 20.140 -1.050 -1.283 1.00 0.26 O ATOM 2860 CB ARG B 77 21.552 -3.275 -2.731 1.00 0.30 C ATOM 2861 CG ARG B 77 21.907 -4.681 -3.186 1.00 0.48 C ATOM 2862 CD ARG B 77 23.385 -4.807 -3.504 1.00 0.63 C ATOM 2863 NE ARG B 77 23.713 -4.247 -4.814 1.00 1.50 N ATOM 2864 CZ ARG B 77 24.891 -4.399 -5.415 1.00 1.87 C ATOM 2865 NH1 ARG B 77 25.893 -4.996 -4.779 1.00 1.59 N ATOM 2866 NH2 ARG B 77 25.073 -3.922 -6.642 1.00 2.97 N ATOM 0 H ARG B 77 20.140 -1.564 -4.144 1.00 0.25 H new ATOM 0 HA ARG B 77 19.539 -3.986 -2.564 1.00 0.25 H new ATOM 0 HB2 ARG B 77 21.994 -2.556 -3.420 1.00 0.30 H new ATOM 0 HB3 ARG B 77 21.998 -3.094 -1.753 1.00 0.30 H new ATOM 0 HG2 ARG B 77 21.639 -5.395 -2.407 1.00 0.48 H new ATOM 0 HG3 ARG B 77 21.321 -4.938 -4.068 1.00 0.48 H new ATOM 0 HD2 ARG B 77 23.966 -4.297 -2.736 1.00 0.63 H new ATOM 0 HD3 ARG B 77 23.674 -5.858 -3.476 1.00 0.63 H new ATOM 0 HE ARG B 77 22.995 -3.707 -5.297 1.00 1.50 H new ATOM 0 HH11 ARG B 77 25.761 -5.339 -3.828 1.00 1.59 H new ATOM 0 HH12 ARG B 77 26.795 -5.111 -5.242 1.00 1.59 H new ATOM 0 HH21 ARG B 77 24.311 -3.441 -7.120 1.00 2.97 H new ATOM 0 HH22 ARG B 77 25.974 -4.037 -7.105 1.00 2.97 H new ATOM 2880 N PHE B 78 18.941 -2.793 -0.517 1.00 0.24 N ATOM 2881 CA PHE B 78 18.534 -2.136 0.717 1.00 0.23 C ATOM 2882 C PHE B 78 19.316 -2.717 1.893 1.00 0.21 C ATOM 2883 O PHE B 78 19.700 -3.887 1.868 1.00 0.22 O ATOM 2884 CB PHE B 78 17.027 -2.323 0.928 1.00 0.27 C ATOM 2885 CG PHE B 78 16.421 -1.386 1.938 1.00 0.27 C ATOM 2886 CD1 PHE B 78 16.283 -0.037 1.658 1.00 0.34 C ATOM 2887 CD2 PHE B 78 15.985 -1.859 3.165 1.00 0.33 C ATOM 2888 CE1 PHE B 78 15.723 0.823 2.586 1.00 0.37 C ATOM 2889 CE2 PHE B 78 15.424 -1.006 4.095 1.00 0.37 C ATOM 2890 CZ PHE B 78 15.292 0.338 3.805 1.00 0.33 C ATOM 0 H PHE B 78 18.579 -3.740 -0.624 1.00 0.24 H new ATOM 0 HA PHE B 78 18.748 -1.069 0.650 1.00 0.23 H new ATOM 0 HB2 PHE B 78 16.519 -2.187 -0.027 1.00 0.27 H new ATOM 0 HB3 PHE B 78 16.841 -3.349 1.245 1.00 0.27 H new ATOM 0 HD1 PHE B 78 16.616 0.348 0.705 1.00 0.34 H new ATOM 0 HD2 PHE B 78 16.085 -2.909 3.397 1.00 0.33 H new ATOM 0 HE1 PHE B 78 15.623 1.874 2.357 1.00 0.37 H new ATOM 0 HE2 PHE B 78 15.089 -1.389 5.048 1.00 0.37 H new ATOM 0 HZ PHE B 78 14.853 1.008 4.530 1.00 0.33 H new ATOM 2900 N ARG B 79 19.564 -1.898 2.904 1.00 0.25 N ATOM 2901 CA ARG B 79 20.304 -2.336 4.080 1.00 0.26 C ATOM 2902 C ARG B 79 19.360 -2.937 5.114 1.00 0.26 C ATOM 2903 O ARG B 79 18.346 -2.335 5.465 1.00 0.36 O ATOM 2904 CB ARG B 79 21.061 -1.158 4.695 1.00 0.36 C ATOM 2905 CG ARG B 79 22.199 -1.574 5.611 1.00 0.33 C ATOM 2906 CD ARG B 79 22.901 -0.370 6.216 1.00 0.56 C ATOM 2907 NE ARG B 79 22.122 0.237 7.294 1.00 1.04 N ATOM 2908 CZ ARG B 79 22.097 1.543 7.558 1.00 1.28 C ATOM 2909 NH1 ARG B 79 22.813 2.394 6.830 1.00 1.06 N ATOM 2910 NH2 ARG B 79 21.361 1.994 8.564 1.00 2.22 N ATOM 0 H ARG B 79 19.263 -0.924 2.934 1.00 0.25 H new ATOM 0 HA ARG B 79 21.018 -3.100 3.771 1.00 0.26 H new ATOM 0 HB2 ARG B 79 21.460 -0.536 3.894 1.00 0.36 H new ATOM 0 HB3 ARG B 79 20.360 -0.541 5.258 1.00 0.36 H new ATOM 0 HG2 ARG B 79 21.811 -2.208 6.408 1.00 0.33 H new ATOM 0 HG3 ARG B 79 22.918 -2.171 5.050 1.00 0.33 H new ATOM 0 HD2 ARG B 79 23.875 -0.674 6.600 1.00 0.56 H new ATOM 0 HD3 ARG B 79 23.082 0.372 5.438 1.00 0.56 H new ATOM 0 HE ARG B 79 21.561 -0.379 7.882 1.00 1.04 H new ATOM 0 HH11 ARG B 79 23.388 2.049 6.061 1.00 1.06 H new ATOM 0 HH12 ARG B 79 22.787 3.392 7.040 1.00 1.06 H new ATOM 0 HH21 ARG B 79 20.818 1.343 9.131 1.00 2.22 H new ATOM 0 HH22 ARG B 79 21.338 2.992 8.771 1.00 2.22 H new ATOM 2924 N SER B 80 19.688 -4.125 5.591 1.00 0.25 N ATOM 2925 CA SER B 80 18.868 -4.790 6.587 1.00 0.33 C ATOM 2926 C SER B 80 19.393 -4.513 7.995 1.00 0.32 C ATOM 2927 O SER B 80 20.269 -3.666 8.189 1.00 0.32 O ATOM 2928 CB SER B 80 18.844 -6.293 6.319 1.00 0.46 C ATOM 2929 OG SER B 80 20.074 -6.898 6.677 1.00 1.06 O ATOM 0 H SER B 80 20.516 -4.648 5.305 1.00 0.25 H new ATOM 0 HA SER B 80 17.853 -4.398 6.519 1.00 0.33 H new ATOM 0 HB2 SER B 80 18.032 -6.752 6.883 1.00 0.46 H new ATOM 0 HB3 SER B 80 18.641 -6.473 5.263 1.00 0.46 H new ATOM 0 HG SER B 80 19.979 -7.873 6.649 1.00 1.06 H new ATOM 2935 N LYS B 81 18.867 -5.247 8.971 1.00 0.35 N ATOM 2936 CA LYS B 81 19.273 -5.095 10.362 1.00 0.37 C ATOM 2937 C LYS B 81 20.708 -5.586 10.565 1.00 0.40 C ATOM 2938 O LYS B 81 21.362 -5.246 11.550 1.00 0.48 O ATOM 2939 CB LYS B 81 18.313 -5.871 11.269 1.00 0.41 C ATOM 2940 CG LYS B 81 18.453 -5.537 12.744 1.00 0.45 C ATOM 2941 CD LYS B 81 18.149 -4.074 13.013 1.00 0.47 C ATOM 2942 CE LYS B 81 18.234 -3.753 14.493 1.00 0.67 C ATOM 2943 NZ LYS B 81 18.091 -2.300 14.756 1.00 1.69 N ATOM 0 H LYS B 81 18.152 -5.959 8.820 1.00 0.35 H new ATOM 0 HA LYS B 81 19.236 -4.037 10.623 1.00 0.37 H new ATOM 0 HB2 LYS B 81 17.289 -5.667 10.956 1.00 0.41 H new ATOM 0 HB3 LYS B 81 18.482 -6.939 11.131 1.00 0.41 H new ATOM 0 HG2 LYS B 81 17.777 -6.163 13.326 1.00 0.45 H new ATOM 0 HG3 LYS B 81 19.466 -5.767 13.076 1.00 0.45 H new ATOM 0 HD2 LYS B 81 18.851 -3.448 12.463 1.00 0.47 H new ATOM 0 HD3 LYS B 81 17.152 -3.834 12.644 1.00 0.47 H new ATOM 0 HE2 LYS B 81 17.455 -4.296 15.027 1.00 0.67 H new ATOM 0 HE3 LYS B 81 19.190 -4.100 14.885 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 18.527 -2.068 15.671 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 18.564 -1.762 14.002 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 17.082 -2.049 14.780 1.00 1.69 H new ATOM 2957 N ASN B 82 21.193 -6.381 9.623 1.00 0.39 N ATOM 2958 CA ASN B 82 22.549 -6.914 9.701 1.00 0.45 C ATOM 2959 C ASN B 82 23.512 -6.034 8.930 1.00 0.43 C ATOM 2960 O ASN B 82 24.679 -6.386 8.753 1.00 0.50 O ATOM 2961 CB ASN B 82 22.611 -8.329 9.138 1.00 0.53 C ATOM 2962 CG ASN B 82 21.830 -9.326 9.962 1.00 0.95 C ATOM 2963 OD1 ASN B 82 21.639 -9.148 11.166 1.00 1.75 O ATOM 2964 ND2 ASN B 82 21.379 -10.386 9.314 1.00 0.81 N ATOM 0 H ASN B 82 20.671 -6.672 8.797 1.00 0.39 H new ATOM 0 HA ASN B 82 22.835 -6.934 10.753 1.00 0.45 H new ATOM 0 HB2 ASN B 82 22.225 -8.326 8.119 1.00 0.53 H new ATOM 0 HB3 ASN B 82 23.652 -8.647 9.083 1.00 0.53 H new ATOM 0 HD21 ASN B 82 20.848 -11.100 9.812 1.00 0.81 H new ATOM 0 HD22 ASN B 82 21.562 -10.490 8.316 1.00 0.81 H new ATOM 2971 N GLN B 83 23.006 -4.900 8.454 1.00 0.37 N ATOM 2972 CA GLN B 83 23.799 -3.945 7.686 1.00 0.40 C ATOM 2973 C GLN B 83 24.240 -4.547 6.355 1.00 0.37 C ATOM 2974 O GLN B 83 25.147 -4.033 5.698 1.00 0.46 O ATOM 2975 CB GLN B 83 25.015 -3.464 8.488 1.00 0.53 C ATOM 2976 CG GLN B 83 24.759 -2.196 9.291 1.00 0.63 C ATOM 2977 CD GLN B 83 23.603 -2.329 10.265 1.00 0.90 C ATOM 2978 OE1 GLN B 83 22.460 -2.003 9.942 1.00 1.62 O ATOM 2979 NE2 GLN B 83 23.889 -2.812 11.464 1.00 0.87 N ATOM 0 H GLN B 83 22.035 -4.617 8.590 1.00 0.37 H new ATOM 0 HA GLN B 83 23.167 -3.082 7.479 1.00 0.40 H new ATOM 0 HB2 GLN B 83 25.327 -4.257 9.168 1.00 0.53 H new ATOM 0 HB3 GLN B 83 25.844 -3.288 7.803 1.00 0.53 H new ATOM 0 HG2 GLN B 83 25.662 -1.934 9.842 1.00 0.63 H new ATOM 0 HG3 GLN B 83 24.555 -1.374 8.605 1.00 0.63 H new ATOM 0 HE21 GLN B 83 24.848 -3.071 11.694 1.00 0.87 H new ATOM 0 HE22 GLN B 83 23.150 -2.925 12.158 1.00 0.87 H new ATOM 2988 N GLU B 84 23.587 -5.632 5.959 1.00 0.37 N ATOM 2989 CA GLU B 84 23.898 -6.290 4.704 1.00 0.38 C ATOM 2990 C GLU B 84 22.983 -5.758 3.612 1.00 0.31 C ATOM 2991 O GLU B 84 21.852 -5.350 3.887 1.00 0.42 O ATOM 2992 CB GLU B 84 23.764 -7.814 4.833 1.00 0.53 C ATOM 2993 CG GLU B 84 22.365 -8.289 5.204 1.00 1.22 C ATOM 2994 CD GLU B 84 22.304 -9.778 5.481 1.00 2.08 C ATOM 2995 OE1 GLU B 84 22.470 -10.575 4.539 1.00 2.45 O ATOM 2996 OE2 GLU B 84 22.091 -10.162 6.649 1.00 2.78 O ATOM 0 H GLU B 84 22.838 -6.073 6.492 1.00 0.37 H new ATOM 0 HA GLU B 84 24.933 -6.073 4.439 1.00 0.38 H new ATOM 0 HB2 GLU B 84 24.053 -8.274 3.888 1.00 0.53 H new ATOM 0 HB3 GLU B 84 24.467 -8.167 5.587 1.00 0.53 H new ATOM 0 HG2 GLU B 84 22.024 -7.746 6.085 1.00 1.22 H new ATOM 0 HG3 GLU B 84 21.677 -8.046 4.394 1.00 1.22 H new ATOM 3003 N TRP B 85 23.476 -5.750 2.386 1.00 0.32 N ATOM 3004 CA TRP B 85 22.706 -5.250 1.260 1.00 0.33 C ATOM 3005 C TRP B 85 21.961 -6.383 0.571 1.00 0.33 C ATOM 3006 O TRP B 85 22.569 -7.334 0.078 1.00 0.45 O ATOM 3007 CB TRP B 85 23.626 -4.545 0.259 1.00 0.41 C ATOM 3008 CG TRP B 85 24.463 -3.470 0.878 1.00 0.42 C ATOM 3009 CD1 TRP B 85 25.798 -3.528 1.152 1.00 0.66 C ATOM 3010 CD2 TRP B 85 24.018 -2.181 1.308 1.00 0.50 C ATOM 3011 NE1 TRP B 85 26.213 -2.350 1.721 1.00 0.63 N ATOM 3012 CE2 TRP B 85 25.138 -1.507 1.829 1.00 0.50 C ATOM 3013 CE3 TRP B 85 22.784 -1.529 1.299 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 25.056 -0.215 2.338 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 22.704 -0.248 1.807 1.00 1.10 C ATOM 3016 CH2 TRP B 85 23.835 0.398 2.318 1.00 0.97 C ATOM 0 H TRP B 85 24.409 -6.085 2.144 1.00 0.32 H new ATOM 0 HA TRP B 85 21.976 -4.534 1.638 1.00 0.33 H new ATOM 0 HB2 TRP B 85 24.280 -5.283 -0.205 1.00 0.41 H new ATOM 0 HB3 TRP B 85 23.021 -4.111 -0.537 1.00 0.41 H new ATOM 0 HD1 TRP B 85 26.435 -4.377 0.951 1.00 0.66 H new ATOM 0 HE1 TRP B 85 27.166 -2.137 2.015 1.00 0.63 H new ATOM 0 HE3 TRP B 85 21.907 -2.018 0.902 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 25.927 0.286 2.735 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 21.753 0.264 1.810 1.00 1.10 H new ATOM 0 HH2 TRP B 85 23.741 1.402 2.705 1.00 0.97 H new ATOM 3027 N LEU B 86 20.644 -6.291 0.555 1.00 0.28 N ATOM 3028 CA LEU B 86 19.823 -7.304 -0.086 1.00 0.29 C ATOM 3029 C LEU B 86 19.064 -6.702 -1.260 1.00 0.26 C ATOM 3030 O LEU B 86 18.641 -5.545 -1.204 1.00 0.28 O ATOM 3031 CB LEU B 86 18.853 -7.940 0.918 1.00 0.34 C ATOM 3032 CG LEU B 86 18.287 -7.004 1.990 1.00 0.42 C ATOM 3033 CD1 LEU B 86 17.067 -6.258 1.469 1.00 0.96 C ATOM 3034 CD2 LEU B 86 17.936 -7.795 3.241 1.00 1.03 C ATOM 0 H LEU B 86 20.119 -5.526 0.978 1.00 0.28 H new ATOM 0 HA LEU B 86 20.479 -8.090 -0.462 1.00 0.29 H new ATOM 0 HB2 LEU B 86 18.019 -8.372 0.364 1.00 0.34 H new ATOM 0 HB3 LEU B 86 19.365 -8.763 1.416 1.00 0.34 H new ATOM 0 HG LEU B 86 19.049 -6.267 2.243 1.00 0.42 H new ATOM 0 HD11 LEU B 86 16.683 -5.600 2.248 1.00 0.96 H new ATOM 0 HD12 LEU B 86 17.347 -5.665 0.599 1.00 0.96 H new ATOM 0 HD13 LEU B 86 16.296 -6.974 1.187 1.00 0.96 H new ATOM 0 HD21 LEU B 86 17.534 -7.120 3.997 1.00 1.03 H new ATOM 0 HD22 LEU B 86 17.190 -8.551 2.996 1.00 1.03 H new ATOM 0 HD23 LEU B 86 18.832 -8.281 3.627 1.00 1.03 H new ATOM 3046 N TRP B 87 18.921 -7.474 -2.329 1.00 0.28 N ATOM 3047 CA TRP B 87 18.206 -7.012 -3.509 1.00 0.29 C ATOM 3048 C TRP B 87 16.715 -6.940 -3.219 1.00 0.29 C ATOM 3049 O TRP B 87 16.074 -7.949 -2.915 1.00 0.39 O ATOM 3050 CB TRP B 87 18.479 -7.930 -4.701 1.00 0.33 C ATOM 3051 CG TRP B 87 19.833 -7.723 -5.310 1.00 0.38 C ATOM 3052 CD1 TRP B 87 20.977 -8.402 -5.013 1.00 0.47 C ATOM 3053 CD2 TRP B 87 20.181 -6.767 -6.316 1.00 0.40 C ATOM 3054 NE1 TRP B 87 22.016 -7.929 -5.776 1.00 0.53 N ATOM 3055 CE2 TRP B 87 21.553 -6.927 -6.586 1.00 0.48 C ATOM 3056 CE3 TRP B 87 19.467 -5.794 -7.018 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 22.222 -6.149 -7.527 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 20.130 -5.024 -7.951 1.00 0.50 C ATOM 3059 CH2 TRP B 87 21.497 -5.204 -8.199 1.00 0.53 C ATOM 0 H TRP B 87 19.291 -8.422 -2.402 1.00 0.28 H new ATOM 0 HA TRP B 87 18.562 -6.014 -3.764 1.00 0.29 H new ATOM 0 HB2 TRP B 87 18.387 -8.968 -4.380 1.00 0.33 H new ATOM 0 HB3 TRP B 87 17.717 -7.763 -5.462 1.00 0.33 H new ATOM 0 HD1 TRP B 87 21.055 -9.196 -4.285 1.00 0.47 H new ATOM 0 HE1 TRP B 87 22.977 -8.269 -5.744 1.00 0.53 H new ATOM 0 HE3 TRP B 87 18.413 -5.647 -6.834 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 23.276 -6.287 -7.719 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 19.586 -4.269 -8.500 1.00 0.50 H new ATOM 0 HH2 TRP B 87 21.988 -4.585 -8.935 1.00 0.53 H new ATOM 3070 N MET B 88 16.173 -5.742 -3.304 1.00 0.31 N ATOM 3071 CA MET B 88 14.768 -5.517 -3.033 1.00 0.39 C ATOM 3072 C MET B 88 14.099 -4.792 -4.192 1.00 0.37 C ATOM 3073 O MET B 88 14.659 -3.850 -4.753 1.00 0.40 O ATOM 3074 CB MET B 88 14.614 -4.700 -1.746 1.00 0.52 C ATOM 3075 CG MET B 88 13.173 -4.359 -1.399 1.00 0.73 C ATOM 3076 SD MET B 88 12.640 -5.114 0.149 1.00 1.53 S ATOM 3077 CE MET B 88 13.740 -4.314 1.311 1.00 0.91 C ATOM 0 H MET B 88 16.691 -4.902 -3.561 1.00 0.31 H new ATOM 0 HA MET B 88 14.281 -6.484 -2.910 1.00 0.39 H new ATOM 0 HB2 MET B 88 15.054 -5.257 -0.919 1.00 0.52 H new ATOM 0 HB3 MET B 88 15.182 -3.775 -1.845 1.00 0.52 H new ATOM 0 HG2 MET B 88 13.066 -3.277 -1.328 1.00 0.73 H new ATOM 0 HG3 MET B 88 12.520 -4.691 -2.206 1.00 0.73 H new ATOM 0 HE1 MET B 88 13.163 -3.928 2.152 1.00 0.91 H new ATOM 0 HE2 MET B 88 14.473 -5.035 1.674 1.00 0.91 H new ATOM 0 HE3 MET B 88 14.256 -3.491 0.816 1.00 0.91 H new ATOM 3087 N ARG B 89 12.914 -5.255 -4.555 1.00 0.36 N ATOM 3088 CA ARG B 89 12.145 -4.644 -5.622 1.00 0.37 C ATOM 3089 C ARG B 89 11.043 -3.794 -5.008 1.00 0.36 C ATOM 3090 O ARG B 89 9.973 -4.297 -4.661 1.00 0.42 O ATOM 3091 CB ARG B 89 11.541 -5.710 -6.537 1.00 0.44 C ATOM 3092 CG ARG B 89 10.776 -5.134 -7.719 1.00 0.58 C ATOM 3093 CD ARG B 89 9.531 -5.949 -8.026 1.00 0.97 C ATOM 3094 NE ARG B 89 8.585 -5.956 -6.909 1.00 2.01 N ATOM 3095 CZ ARG B 89 7.355 -6.466 -6.977 1.00 2.63 C ATOM 3096 NH1 ARG B 89 6.901 -6.972 -8.119 1.00 2.41 N ATOM 3097 NH2 ARG B 89 6.575 -6.474 -5.902 1.00 3.80 N ATOM 0 H ARG B 89 12.462 -6.060 -4.121 1.00 0.36 H new ATOM 0 HA ARG B 89 12.803 -4.019 -6.226 1.00 0.37 H new ATOM 0 HB2 ARG B 89 12.339 -6.352 -6.909 1.00 0.44 H new ATOM 0 HB3 ARG B 89 10.871 -6.341 -5.953 1.00 0.44 H new ATOM 0 HG2 ARG B 89 10.494 -4.103 -7.504 1.00 0.58 H new ATOM 0 HG3 ARG B 89 11.423 -5.111 -8.596 1.00 0.58 H new ATOM 0 HD2 ARG B 89 9.042 -5.543 -8.911 1.00 0.97 H new ATOM 0 HD3 ARG B 89 9.819 -6.973 -8.263 1.00 0.97 H new ATOM 0 HE ARG B 89 8.885 -5.546 -6.025 1.00 2.01 H new ATOM 0 HH11 ARG B 89 7.494 -6.971 -8.949 1.00 2.41 H new ATOM 0 HH12 ARG B 89 5.959 -7.361 -8.166 1.00 2.41 H new ATOM 0 HH21 ARG B 89 6.917 -6.089 -5.021 1.00 3.80 H new ATOM 0 HH22 ARG B 89 5.634 -6.865 -5.957 1.00 3.80 H new ATOM 3111 N THR B 90 11.320 -2.516 -4.859 1.00 0.33 N ATOM 3112 CA THR B 90 10.381 -1.590 -4.259 1.00 0.34 C ATOM 3113 C THR B 90 9.386 -1.047 -5.279 1.00 0.31 C ATOM 3114 O THR B 90 9.746 -0.275 -6.169 1.00 0.34 O ATOM 3115 CB THR B 90 11.136 -0.422 -3.598 1.00 0.38 C ATOM 3116 OG1 THR B 90 11.955 -0.920 -2.534 1.00 0.43 O ATOM 3117 CG2 THR B 90 10.178 0.624 -3.054 1.00 0.43 C ATOM 0 H THR B 90 12.200 -2.090 -5.149 1.00 0.33 H new ATOM 0 HA THR B 90 9.819 -2.139 -3.503 1.00 0.34 H new ATOM 0 HB THR B 90 11.757 0.051 -4.358 1.00 0.38 H new ATOM 0 HG1 THR B 90 11.389 -1.164 -1.772 1.00 0.43 H new ATOM 0 HG21 THR B 90 10.746 1.433 -2.595 1.00 0.43 H new ATOM 0 HG22 THR B 90 9.573 1.022 -3.869 1.00 0.43 H new ATOM 0 HG23 THR B 90 9.527 0.168 -2.308 1.00 0.43 H new ATOM 3125 N SER B 91 8.140 -1.473 -5.156 1.00 0.28 N ATOM 3126 CA SER B 91 7.085 -1.006 -6.036 1.00 0.27 C ATOM 3127 C SER B 91 6.463 0.253 -5.437 1.00 0.23 C ATOM 3128 O SER B 91 5.617 0.179 -4.555 1.00 0.28 O ATOM 3129 CB SER B 91 6.032 -2.100 -6.220 1.00 0.36 C ATOM 3130 OG SER B 91 6.632 -3.301 -6.676 1.00 0.97 O ATOM 0 H SER B 91 7.835 -2.145 -4.452 1.00 0.28 H new ATOM 0 HA SER B 91 7.497 -0.769 -7.017 1.00 0.27 H new ATOM 0 HB2 SER B 91 5.518 -2.280 -5.276 1.00 0.36 H new ATOM 0 HB3 SER B 91 5.278 -1.770 -6.935 1.00 0.36 H new ATOM 0 HG SER B 91 6.800 -3.238 -7.639 1.00 0.97 H new ATOM 3136 N SER B 92 6.906 1.407 -5.907 1.00 0.23 N ATOM 3137 CA SER B 92 6.418 2.675 -5.389 1.00 0.28 C ATOM 3138 C SER B 92 5.162 3.136 -6.121 1.00 0.26 C ATOM 3139 O SER B 92 5.158 3.258 -7.343 1.00 0.36 O ATOM 3140 CB SER B 92 7.517 3.729 -5.509 1.00 0.36 C ATOM 3141 OG SER B 92 8.729 3.264 -4.934 1.00 1.27 O ATOM 0 H SER B 92 7.603 1.492 -6.647 1.00 0.23 H new ATOM 0 HA SER B 92 6.153 2.537 -4.341 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.678 3.974 -6.559 1.00 0.36 H new ATOM 0 HB3 SER B 92 7.202 4.647 -5.012 1.00 0.36 H new ATOM 0 HG SER B 92 8.777 3.548 -3.997 1.00 1.27 H new ATOM 3147 N PHE B 93 4.097 3.362 -5.367 1.00 0.25 N ATOM 3148 CA PHE B 93 2.843 3.834 -5.930 1.00 0.27 C ATOM 3149 C PHE B 93 2.519 5.223 -5.383 1.00 0.25 C ATOM 3150 O PHE B 93 2.596 5.454 -4.175 1.00 0.25 O ATOM 3151 CB PHE B 93 1.706 2.864 -5.601 1.00 0.33 C ATOM 3152 CG PHE B 93 0.433 3.167 -6.335 1.00 0.37 C ATOM 3153 CD1 PHE B 93 -0.501 4.043 -5.806 1.00 0.35 C ATOM 3154 CD2 PHE B 93 0.174 2.581 -7.560 1.00 0.47 C ATOM 3155 CE1 PHE B 93 -1.668 4.327 -6.487 1.00 0.41 C ATOM 3156 CE2 PHE B 93 -0.990 2.860 -8.244 1.00 0.54 C ATOM 3157 CZ PHE B 93 -1.913 3.735 -7.708 1.00 0.50 C ATOM 0 H PHE B 93 4.078 3.225 -4.356 1.00 0.25 H new ATOM 0 HA PHE B 93 2.947 3.890 -7.014 1.00 0.27 H new ATOM 0 HB2 PHE B 93 2.023 1.849 -5.842 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.514 2.892 -4.528 1.00 0.33 H new ATOM 0 HD1 PHE B 93 -0.314 4.509 -4.850 1.00 0.35 H new ATOM 0 HD2 PHE B 93 0.892 1.896 -7.986 1.00 0.47 H new ATOM 0 HE1 PHE B 93 -2.388 5.012 -6.064 1.00 0.41 H new ATOM 0 HE2 PHE B 93 -1.180 2.394 -9.200 1.00 0.54 H new ATOM 0 HZ PHE B 93 -2.825 3.955 -8.243 1.00 0.50 H new ATOM 3167 N THR B 94 2.163 6.146 -6.266 1.00 0.30 N ATOM 3168 CA THR B 94 1.840 7.506 -5.857 1.00 0.31 C ATOM 3169 C THR B 94 0.456 7.597 -5.219 1.00 0.33 C ATOM 3170 O THR B 94 -0.562 7.542 -5.909 1.00 0.37 O ATOM 3171 CB THR B 94 1.901 8.473 -7.049 1.00 0.38 C ATOM 3172 OG1 THR B 94 2.246 7.760 -8.248 1.00 0.59 O ATOM 3173 CG2 THR B 94 2.914 9.576 -6.784 1.00 0.37 C ATOM 0 H THR B 94 2.091 5.978 -7.269 1.00 0.30 H new ATOM 0 HA THR B 94 2.588 7.790 -5.116 1.00 0.31 H new ATOM 0 HB THR B 94 0.919 8.927 -7.180 1.00 0.38 H new ATOM 0 HG1 THR B 94 2.912 8.272 -8.753 1.00 0.59 H new ATOM 0 HG21 THR B 94 2.946 10.253 -7.637 1.00 0.37 H new ATOM 0 HG22 THR B 94 2.623 10.130 -5.892 1.00 0.37 H new ATOM 0 HG23 THR B 94 3.900 9.136 -6.633 1.00 0.37 H new ATOM 3181 N PHE B 95 0.432 7.743 -3.902 1.00 0.35 N ATOM 3182 CA PHE B 95 -0.814 7.860 -3.165 1.00 0.41 C ATOM 3183 C PHE B 95 -1.270 9.313 -3.178 1.00 0.45 C ATOM 3184 O PHE B 95 -0.853 10.122 -2.342 1.00 0.49 O ATOM 3185 CB PHE B 95 -0.621 7.367 -1.732 1.00 0.48 C ATOM 3186 CG PHE B 95 -1.885 6.919 -1.062 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -2.457 5.699 -1.381 1.00 0.95 C ATOM 3188 CD2 PHE B 95 -2.494 7.710 -0.104 1.00 0.91 C ATOM 3189 CE1 PHE B 95 -3.614 5.278 -0.757 1.00 1.03 C ATOM 3190 CE2 PHE B 95 -3.648 7.292 0.524 1.00 0.98 C ATOM 3191 CZ PHE B 95 -4.210 6.076 0.198 1.00 0.78 C ATOM 0 H PHE B 95 1.269 7.783 -3.320 1.00 0.35 H new ATOM 0 HA PHE B 95 -1.580 7.244 -3.637 1.00 0.41 H new ATOM 0 HB2 PHE B 95 0.088 6.539 -1.737 1.00 0.48 H new ATOM 0 HB3 PHE B 95 -0.173 8.166 -1.142 1.00 0.48 H new ATOM 0 HD1 PHE B 95 -1.993 5.070 -2.126 1.00 0.95 H new ATOM 0 HD2 PHE B 95 -2.061 8.665 0.155 1.00 0.91 H new ATOM 0 HE1 PHE B 95 -4.052 4.325 -1.016 1.00 1.03 H new ATOM 0 HE2 PHE B 95 -4.112 7.918 1.272 1.00 0.98 H new ATOM 0 HZ PHE B 95 -5.115 5.749 0.689 1.00 0.78 H new ATOM 3201 N GLN B 96 -2.094 9.646 -4.156 1.00 0.51 N ATOM 3202 CA GLN B 96 -2.595 11.001 -4.303 1.00 0.56 C ATOM 3203 C GLN B 96 -4.033 11.115 -3.815 1.00 0.63 C ATOM 3204 O GLN B 96 -4.694 10.112 -3.546 1.00 0.71 O ATOM 3205 CB GLN B 96 -2.497 11.445 -5.764 1.00 0.60 C ATOM 3206 CG GLN B 96 -3.193 10.512 -6.741 1.00 0.74 C ATOM 3207 CD GLN B 96 -3.406 11.149 -8.100 1.00 0.88 C ATOM 3208 OE1 GLN B 96 -3.408 10.468 -9.125 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -3.590 12.460 -8.113 1.00 0.91 N ATOM 0 H GLN B 96 -2.432 8.993 -4.863 1.00 0.51 H new ATOM 0 HA GLN B 96 -1.978 11.656 -3.688 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -2.927 12.442 -5.860 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -1.445 11.524 -6.039 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -2.600 9.605 -6.857 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -4.156 10.212 -6.329 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -3.581 12.985 -7.239 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -3.741 12.945 -8.997 1.00 0.91 H new ATOM 3218 N ASN B 97 -4.508 12.346 -3.706 1.00 0.73 N ATOM 3219 CA ASN B 97 -5.864 12.605 -3.254 1.00 0.91 C ATOM 3220 C ASN B 97 -6.729 13.113 -4.404 1.00 0.97 C ATOM 3221 O ASN B 97 -6.228 13.735 -5.344 1.00 0.97 O ATOM 3222 CB ASN B 97 -5.863 13.621 -2.108 1.00 1.06 C ATOM 3223 CG ASN B 97 -5.615 12.974 -0.760 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -6.523 12.407 -0.154 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -4.387 13.065 -0.279 1.00 1.65 N ATOM 0 H ASN B 97 -3.971 13.185 -3.926 1.00 0.73 H new ATOM 0 HA ASN B 97 -6.285 11.667 -2.891 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -5.096 14.373 -2.294 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -6.820 14.141 -2.087 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -4.163 12.656 0.628 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -3.664 13.544 -0.815 1.00 1.65 H new ATOM 3232 N PRO B 98 -8.044 12.858 -4.340 1.00 1.12 N ATOM 3233 CA PRO B 98 -8.990 13.275 -5.369 1.00 1.28 C ATOM 3234 C PRO B 98 -9.539 14.678 -5.127 1.00 1.35 C ATOM 3235 O PRO B 98 -10.646 15.002 -5.554 1.00 1.41 O ATOM 3236 CB PRO B 98 -10.097 12.236 -5.222 1.00 1.50 C ATOM 3237 CG PRO B 98 -10.126 11.926 -3.762 1.00 1.51 C ATOM 3238 CD PRO B 98 -8.719 12.125 -3.252 1.00 1.26 C ATOM 0 HA PRO B 98 -8.539 13.324 -6.360 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -11.056 12.626 -5.564 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -9.886 11.345 -5.813 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -10.824 12.581 -3.240 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -10.460 10.903 -3.589 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -8.708 12.693 -2.322 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -8.230 11.172 -3.049 1.00 1.26 H new ATOM 3246 N TYR B 99 -8.763 15.509 -4.449 1.00 1.39 N ATOM 3247 CA TYR B 99 -9.195 16.865 -4.147 1.00 1.52 C ATOM 3248 C TYR B 99 -8.580 17.857 -5.119 1.00 1.54 C ATOM 3249 O TYR B 99 -9.288 18.486 -5.905 1.00 1.80 O ATOM 3250 CB TYR B 99 -8.836 17.224 -2.704 1.00 1.68 C ATOM 3251 CG TYR B 99 -9.419 16.259 -1.699 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -10.793 16.080 -1.603 1.00 2.26 C ATOM 3253 CD2 TYR B 99 -8.599 15.512 -0.864 1.00 1.83 C ATOM 3254 CE1 TYR B 99 -11.333 15.187 -0.699 1.00 2.61 C ATOM 3255 CE2 TYR B 99 -9.132 14.612 0.040 1.00 2.10 C ATOM 3256 CZ TYR B 99 -10.500 14.455 0.119 1.00 2.50 C ATOM 3257 OH TYR B 99 -11.036 13.554 1.011 1.00 2.90 O ATOM 0 H TYR B 99 -7.835 15.270 -4.099 1.00 1.39 H new ATOM 0 HA TYR B 99 -10.278 16.916 -4.258 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -7.751 17.241 -2.598 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -9.194 18.230 -2.485 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -11.449 16.648 -2.246 1.00 2.26 H new ATOM 0 HD2 TYR B 99 -7.528 15.636 -0.922 1.00 1.83 H new ATOM 0 HE1 TYR B 99 -12.404 15.063 -0.633 1.00 2.61 H new ATOM 0 HE2 TYR B 99 -8.481 14.035 0.680 1.00 2.10 H new ATOM 0 HH TYR B 99 -10.494 13.540 1.827 1.00 2.90 H new ATOM 3267 N SER B 100 -7.265 17.981 -5.077 1.00 1.37 N ATOM 3268 CA SER B 100 -6.560 18.896 -5.959 1.00 1.42 C ATOM 3269 C SER B 100 -5.444 18.170 -6.701 1.00 1.24 C ATOM 3270 O SER B 100 -4.494 18.798 -7.178 1.00 1.29 O ATOM 3271 CB SER B 100 -5.987 20.062 -5.153 1.00 1.52 C ATOM 3272 OG SER B 100 -6.679 20.214 -3.925 1.00 2.27 O ATOM 0 H SER B 100 -6.663 17.459 -4.441 1.00 1.37 H new ATOM 0 HA SER B 100 -7.265 19.285 -6.693 1.00 1.42 H new ATOM 0 HB2 SER B 100 -4.928 19.891 -4.960 1.00 1.52 H new ATOM 0 HB3 SER B 100 -6.061 20.982 -5.733 1.00 1.52 H new ATOM 0 HG SER B 100 -6.171 19.782 -3.207 1.00 2.27 H new ATOM 3278 N ASP B 101 -5.561 16.841 -6.775 1.00 1.08 N ATOM 3279 CA ASP B 101 -4.573 16.001 -7.461 1.00 0.96 C ATOM 3280 C ASP B 101 -3.229 16.063 -6.733 1.00 0.87 C ATOM 3281 O ASP B 101 -2.166 15.880 -7.326 1.00 0.91 O ATOM 3282 CB ASP B 101 -4.428 16.449 -8.925 1.00 1.15 C ATOM 3283 CG ASP B 101 -3.666 15.461 -9.786 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -4.177 14.342 -10.009 1.00 1.27 O ATOM 3285 OD2 ASP B 101 -2.569 15.808 -10.266 1.00 2.06 O ATOM 0 H ASP B 101 -6.336 16.320 -6.365 1.00 1.08 H new ATOM 0 HA ASP B 101 -4.916 14.966 -7.451 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -5.420 16.600 -9.351 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -3.919 17.412 -8.953 1.00 1.15 H new ATOM 3290 N GLU B 102 -3.297 16.303 -5.429 1.00 0.88 N ATOM 3291 CA GLU B 102 -2.107 16.413 -4.598 1.00 0.85 C ATOM 3292 C GLU B 102 -1.642 15.043 -4.125 1.00 0.72 C ATOM 3293 O GLU B 102 -2.438 14.111 -4.018 1.00 0.72 O ATOM 3294 CB GLU B 102 -2.376 17.322 -3.390 1.00 1.03 C ATOM 3295 CG GLU B 102 -3.496 16.837 -2.475 1.00 1.30 C ATOM 3296 CD GLU B 102 -4.874 17.249 -2.959 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -5.346 18.337 -2.571 1.00 2.51 O ATOM 3298 OE2 GLU B 102 -5.487 16.493 -3.739 1.00 1.82 O ATOM 0 H GLU B 102 -4.173 16.426 -4.922 1.00 0.88 H new ATOM 0 HA GLU B 102 -1.316 16.855 -5.204 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -1.460 17.412 -2.807 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -2.624 18.321 -3.750 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -3.452 15.750 -2.400 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -3.336 17.232 -1.472 1.00 1.30 H new ATOM 3305 N ILE B 103 -0.355 14.930 -3.840 1.00 0.68 N ATOM 3306 CA ILE B 103 0.225 13.677 -3.380 1.00 0.59 C ATOM 3307 C ILE B 103 0.676 13.812 -1.932 1.00 0.61 C ATOM 3308 O ILE B 103 1.348 14.779 -1.570 1.00 0.74 O ATOM 3309 CB ILE B 103 1.428 13.252 -4.253 1.00 0.62 C ATOM 3310 CG1 ILE B 103 1.018 13.182 -5.725 1.00 0.67 C ATOM 3311 CG2 ILE B 103 1.975 11.904 -3.796 1.00 0.56 C ATOM 3312 CD1 ILE B 103 2.190 13.059 -6.672 1.00 0.99 C ATOM 0 H ILE B 103 0.313 15.697 -3.920 1.00 0.68 H new ATOM 0 HA ILE B 103 -0.544 12.909 -3.460 1.00 0.59 H new ATOM 0 HB ILE B 103 2.213 14.000 -4.141 1.00 0.62 H new ATOM 0 HG12 ILE B 103 0.354 12.330 -5.869 1.00 0.67 H new ATOM 0 HG13 ILE B 103 0.449 14.076 -5.978 1.00 0.67 H new ATOM 0 HG21 ILE B 103 2.821 11.623 -4.423 1.00 0.56 H new ATOM 0 HG22 ILE B 103 2.301 11.976 -2.758 1.00 0.56 H new ATOM 0 HG23 ILE B 103 1.195 11.148 -3.879 1.00 0.56 H new ATOM 0 HD11 ILE B 103 1.825 13.014 -7.698 1.00 0.99 H new ATOM 0 HD12 ILE B 103 2.844 13.924 -6.556 1.00 0.99 H new ATOM 0 HD13 ILE B 103 2.747 12.150 -6.445 1.00 0.99 H new ATOM 3324 N GLU B 104 0.300 12.853 -1.102 1.00 0.54 N ATOM 3325 CA GLU B 104 0.675 12.889 0.302 1.00 0.59 C ATOM 3326 C GLU B 104 1.907 12.036 0.558 1.00 0.51 C ATOM 3327 O GLU B 104 2.985 12.554 0.851 1.00 0.56 O ATOM 3328 CB GLU B 104 -0.476 12.412 1.179 1.00 0.69 C ATOM 3329 CG GLU B 104 -1.580 13.433 1.335 1.00 0.85 C ATOM 3330 CD GLU B 104 -2.478 13.126 2.509 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -2.092 13.438 3.655 1.00 1.44 O ATOM 3332 OE2 GLU B 104 -3.570 12.561 2.295 1.00 1.33 O ATOM 0 H GLU B 104 -0.261 12.045 -1.373 1.00 0.54 H new ATOM 0 HA GLU B 104 0.908 13.923 0.557 1.00 0.59 H new ATOM 0 HB2 GLU B 104 -0.893 11.500 0.752 1.00 0.69 H new ATOM 0 HB3 GLU B 104 -0.088 12.154 2.165 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -1.142 14.423 1.464 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -2.175 13.464 0.423 1.00 0.85 H new ATOM 3339 N TYR B 105 1.745 10.727 0.446 1.00 0.42 N ATOM 3340 CA TYR B 105 2.845 9.808 0.665 1.00 0.40 C ATOM 3341 C TYR B 105 2.930 8.806 -0.476 1.00 0.33 C ATOM 3342 O TYR B 105 2.050 8.747 -1.332 1.00 0.37 O ATOM 3343 CB TYR B 105 2.717 9.085 2.020 1.00 0.46 C ATOM 3344 CG TYR B 105 1.306 8.710 2.429 1.00 0.47 C ATOM 3345 CD1 TYR B 105 0.496 9.615 3.108 1.00 0.59 C ATOM 3346 CD2 TYR B 105 0.793 7.449 2.158 1.00 0.45 C ATOM 3347 CE1 TYR B 105 -0.785 9.275 3.497 1.00 0.67 C ATOM 3348 CE2 TYR B 105 -0.488 7.100 2.547 1.00 0.55 C ATOM 3349 CZ TYR B 105 -1.273 8.017 3.216 1.00 0.65 C ATOM 3350 OH TYR B 105 -2.550 7.679 3.603 1.00 0.77 O ATOM 0 H TYR B 105 0.861 10.279 0.204 1.00 0.42 H new ATOM 0 HA TYR B 105 3.767 10.388 0.691 1.00 0.40 H new ATOM 0 HB2 TYR B 105 3.320 8.178 1.986 1.00 0.46 H new ATOM 0 HB3 TYR B 105 3.144 9.723 2.794 1.00 0.46 H new ATOM 0 HD1 TYR B 105 0.875 10.600 3.335 1.00 0.59 H new ATOM 0 HD2 TYR B 105 1.404 6.728 1.635 1.00 0.45 H new ATOM 0 HE1 TYR B 105 -1.402 9.992 4.019 1.00 0.67 H new ATOM 0 HE2 TYR B 105 -0.872 6.115 2.328 1.00 0.55 H new ATOM 0 HH TYR B 105 -2.515 6.914 4.215 1.00 0.77 H new ATOM 3360 N ILE B 106 4.000 8.039 -0.496 1.00 0.26 N ATOM 3361 CA ILE B 106 4.208 7.045 -1.531 1.00 0.25 C ATOM 3362 C ILE B 106 4.112 5.647 -0.942 1.00 0.26 C ATOM 3363 O ILE B 106 4.781 5.332 0.046 1.00 0.28 O ATOM 3364 CB ILE B 106 5.583 7.220 -2.215 1.00 0.26 C ATOM 3365 CG1 ILE B 106 5.769 8.670 -2.679 1.00 0.31 C ATOM 3366 CG2 ILE B 106 5.718 6.260 -3.390 1.00 0.30 C ATOM 3367 CD1 ILE B 106 7.179 8.993 -3.123 1.00 0.36 C ATOM 0 H ILE B 106 4.746 8.085 0.199 1.00 0.26 H new ATOM 0 HA ILE B 106 3.430 7.183 -2.282 1.00 0.25 H new ATOM 0 HB ILE B 106 6.363 6.988 -1.490 1.00 0.26 H new ATOM 0 HG12 ILE B 106 5.084 8.869 -3.503 1.00 0.31 H new ATOM 0 HG13 ILE B 106 5.492 9.340 -1.866 1.00 0.31 H new ATOM 0 HG21 ILE B 106 6.692 6.396 -3.861 1.00 0.30 H new ATOM 0 HG22 ILE B 106 5.627 5.234 -3.034 1.00 0.30 H new ATOM 0 HG23 ILE B 106 4.932 6.462 -4.117 1.00 0.30 H new ATOM 0 HD11 ILE B 106 7.232 10.036 -3.437 1.00 0.36 H new ATOM 0 HD12 ILE B 106 7.868 8.828 -2.295 1.00 0.36 H new ATOM 0 HD13 ILE B 106 7.454 8.349 -3.958 1.00 0.36 H new ATOM 3379 N ILE B 107 3.266 4.822 -1.537 1.00 0.29 N ATOM 3380 CA ILE B 107 3.087 3.454 -1.087 1.00 0.34 C ATOM 3381 C ILE B 107 4.128 2.566 -1.749 1.00 0.40 C ATOM 3382 O ILE B 107 3.954 2.127 -2.884 1.00 0.52 O ATOM 3383 CB ILE B 107 1.677 2.922 -1.417 1.00 0.44 C ATOM 3384 CG1 ILE B 107 0.599 3.912 -0.960 1.00 0.46 C ATOM 3385 CG2 ILE B 107 1.460 1.562 -0.771 1.00 0.53 C ATOM 3386 CD1 ILE B 107 0.564 4.136 0.539 1.00 0.79 C ATOM 0 H ILE B 107 2.690 5.080 -2.338 1.00 0.29 H new ATOM 0 HA ILE B 107 3.206 3.439 -0.004 1.00 0.34 H new ATOM 0 HB ILE B 107 1.598 2.811 -2.498 1.00 0.44 H new ATOM 0 HG12 ILE B 107 0.764 4.868 -1.456 1.00 0.46 H new ATOM 0 HG13 ILE B 107 -0.376 3.548 -1.286 1.00 0.46 H new ATOM 0 HG21 ILE B 107 0.461 1.200 -1.013 1.00 0.53 H new ATOM 0 HG22 ILE B 107 2.202 0.858 -1.147 1.00 0.53 H new ATOM 0 HG23 ILE B 107 1.561 1.653 0.311 1.00 0.53 H new ATOM 0 HD11 ILE B 107 -0.224 4.848 0.782 1.00 0.79 H new ATOM 0 HD12 ILE B 107 0.367 3.190 1.044 1.00 0.79 H new ATOM 0 HD13 ILE B 107 1.524 4.531 0.870 1.00 0.79 H new ATOM 3398 N CYS B 108 5.226 2.337 -1.054 1.00 0.39 N ATOM 3399 CA CYS B 108 6.297 1.517 -1.588 1.00 0.47 C ATOM 3400 C CYS B 108 6.184 0.074 -1.121 1.00 0.37 C ATOM 3401 O CYS B 108 6.365 -0.224 0.060 1.00 0.43 O ATOM 3402 CB CYS B 108 7.652 2.090 -1.183 1.00 0.61 C ATOM 3403 SG CYS B 108 8.036 3.686 -1.943 1.00 1.55 S ATOM 0 H CYS B 108 5.400 2.707 -0.119 1.00 0.39 H new ATOM 0 HA CYS B 108 6.210 1.526 -2.674 1.00 0.47 H new ATOM 0 HB2 CYS B 108 7.678 2.200 -0.099 1.00 0.61 H new ATOM 0 HB3 CYS B 108 8.431 1.376 -1.450 1.00 0.61 H new ATOM 0 HG CYS B 108 8.478 4.504 -1.035 1.00 1.55 H new ATOM 3409 N THR B 109 5.852 -0.811 -2.044 1.00 0.32 N ATOM 3410 CA THR B 109 5.754 -2.223 -1.745 1.00 0.29 C ATOM 3411 C THR B 109 7.148 -2.842 -1.778 1.00 0.26 C ATOM 3412 O THR B 109 7.614 -3.301 -2.823 1.00 0.27 O ATOM 3413 CB THR B 109 4.845 -2.939 -2.756 1.00 0.39 C ATOM 3414 OG1 THR B 109 3.853 -2.027 -3.246 1.00 0.48 O ATOM 3415 CG2 THR B 109 4.168 -4.141 -2.119 1.00 0.49 C ATOM 0 H THR B 109 5.645 -0.571 -3.013 1.00 0.32 H new ATOM 0 HA THR B 109 5.318 -2.340 -0.753 1.00 0.29 H new ATOM 0 HB THR B 109 5.460 -3.289 -3.585 1.00 0.39 H new ATOM 0 HG1 THR B 109 3.016 -2.158 -2.753 1.00 0.48 H new ATOM 0 HG21 THR B 109 3.530 -4.631 -2.854 1.00 0.49 H new ATOM 0 HG22 THR B 109 4.926 -4.843 -1.770 1.00 0.49 H new ATOM 0 HG23 THR B 109 3.562 -3.812 -1.275 1.00 0.49 H new ATOM 3423 N ASN B 110 7.821 -2.813 -0.637 1.00 0.35 N ATOM 3424 CA ASN B 110 9.172 -3.344 -0.522 1.00 0.40 C ATOM 3425 C ASN B 110 9.166 -4.861 -0.577 1.00 0.45 C ATOM 3426 O ASN B 110 8.936 -5.525 0.430 1.00 0.57 O ATOM 3427 CB ASN B 110 9.825 -2.873 0.781 1.00 0.53 C ATOM 3428 CG ASN B 110 10.699 -1.649 0.588 1.00 1.18 C ATOM 3429 OD1 ASN B 110 10.472 -0.844 -0.311 1.00 1.84 O ATOM 3430 ND2 ASN B 110 11.707 -1.498 1.434 1.00 1.84 N ATOM 0 H ASN B 110 7.450 -2.424 0.230 1.00 0.35 H new ATOM 0 HA ASN B 110 9.752 -2.969 -1.365 1.00 0.40 H new ATOM 0 HB2 ASN B 110 9.048 -2.648 1.511 1.00 0.53 H new ATOM 0 HB3 ASN B 110 10.427 -3.682 1.195 1.00 0.53 H new ATOM 0 HD21 ASN B 110 12.326 -0.692 1.351 1.00 1.84 H new ATOM 0 HD22 ASN B 110 11.864 -2.188 2.168 1.00 1.84 H new ATOM 3437 N THR B 111 9.403 -5.403 -1.761 1.00 0.39 N ATOM 3438 CA THR B 111 9.431 -6.842 -1.947 1.00 0.41 C ATOM 3439 C THR B 111 10.860 -7.327 -2.159 1.00 0.38 C ATOM 3440 O THR B 111 11.453 -7.089 -3.211 1.00 0.43 O ATOM 3441 CB THR B 111 8.569 -7.250 -3.151 1.00 0.45 C ATOM 3442 OG1 THR B 111 7.592 -6.230 -3.413 1.00 0.50 O ATOM 3443 CG2 THR B 111 7.873 -8.574 -2.889 1.00 0.52 C ATOM 0 H THR B 111 9.579 -4.865 -2.609 1.00 0.39 H new ATOM 0 HA THR B 111 9.026 -7.304 -1.046 1.00 0.41 H new ATOM 0 HB THR B 111 9.217 -7.367 -4.020 1.00 0.45 H new ATOM 0 HG1 THR B 111 6.693 -6.595 -3.274 1.00 0.50 H new ATOM 0 HG21 THR B 111 7.268 -8.844 -3.754 1.00 0.52 H new ATOM 0 HG22 THR B 111 8.619 -9.349 -2.712 1.00 0.52 H new ATOM 0 HG23 THR B 111 7.232 -8.481 -2.013 1.00 0.52 H new ATOM 3451 N ASN B 112 11.418 -7.991 -1.158 1.00 0.36 N ATOM 3452 CA ASN B 112 12.780 -8.497 -1.254 1.00 0.36 C ATOM 3453 C ASN B 112 12.828 -9.711 -2.175 1.00 0.34 C ATOM 3454 O ASN B 112 12.045 -10.650 -2.019 1.00 0.37 O ATOM 3455 CB ASN B 112 13.322 -8.855 0.131 1.00 0.45 C ATOM 3456 CG ASN B 112 14.589 -9.683 0.053 1.00 0.39 C ATOM 3457 OD1 ASN B 112 14.546 -10.910 0.121 1.00 0.71 O ATOM 3458 ND2 ASN B 112 15.725 -9.025 -0.096 1.00 0.42 N ATOM 0 H ASN B 112 10.952 -8.192 -0.273 1.00 0.36 H new ATOM 0 HA ASN B 112 13.410 -7.714 -1.675 1.00 0.36 H new ATOM 0 HB2 ASN B 112 13.522 -7.940 0.689 1.00 0.45 H new ATOM 0 HB3 ASN B 112 12.563 -9.407 0.685 1.00 0.45 H new ATOM 0 HD21 ASN B 112 16.606 -9.536 -0.159 1.00 0.42 H new ATOM 0 HD22 ASN B 112 15.721 -8.006 -0.148 1.00 0.42 H new ATOM 3465 N VAL B 113 13.748 -9.690 -3.130 1.00 0.36 N ATOM 3466 CA VAL B 113 13.875 -10.782 -4.084 1.00 0.44 C ATOM 3467 C VAL B 113 15.086 -11.662 -3.789 1.00 0.50 C ATOM 3468 O VAL B 113 15.144 -12.808 -4.233 1.00 0.78 O ATOM 3469 CB VAL B 113 13.970 -10.259 -5.535 1.00 0.52 C ATOM 3470 CG1 VAL B 113 12.668 -9.593 -5.951 1.00 0.98 C ATOM 3471 CG2 VAL B 113 15.137 -9.295 -5.693 1.00 0.83 C ATOM 0 H VAL B 113 14.416 -8.931 -3.264 1.00 0.36 H new ATOM 0 HA VAL B 113 12.972 -11.384 -3.978 1.00 0.44 H new ATOM 0 HB VAL B 113 14.146 -11.113 -6.189 1.00 0.52 H new ATOM 0 HG11 VAL B 113 12.755 -9.232 -6.976 1.00 0.98 H new ATOM 0 HG12 VAL B 113 11.854 -10.315 -5.889 1.00 0.98 H new ATOM 0 HG13 VAL B 113 12.460 -8.754 -5.287 1.00 0.98 H new ATOM 0 HG21 VAL B 113 15.181 -8.942 -6.723 1.00 0.83 H new ATOM 0 HG22 VAL B 113 15.000 -8.445 -5.024 1.00 0.83 H new ATOM 0 HG23 VAL B 113 16.067 -9.806 -5.445 1.00 0.83 H new ATOM 3481 N LYS B 114 16.047 -11.133 -3.043 1.00 0.66 N ATOM 3482 CA LYS B 114 17.251 -11.886 -2.717 1.00 0.80 C ATOM 3483 C LYS B 114 17.577 -11.778 -1.233 1.00 0.96 C ATOM 3484 O LYS B 114 17.766 -10.649 -0.742 1.00 1.54 O ATOM 3485 CB LYS B 114 18.434 -11.388 -3.552 1.00 1.37 C ATOM 3486 CG LYS B 114 19.748 -12.084 -3.229 1.00 1.56 C ATOM 3487 CD LYS B 114 19.703 -13.563 -3.577 1.00 2.38 C ATOM 3488 CE LYS B 114 20.369 -14.404 -2.501 1.00 2.81 C ATOM 3489 NZ LYS B 114 19.440 -14.717 -1.380 1.00 3.21 N ATOM 3490 OXT LYS B 114 17.661 -12.828 -0.568 1.00 0.67 O ATOM 0 H LYS B 114 16.017 -10.191 -2.654 1.00 0.66 H new ATOM 0 HA LYS B 114 17.067 -12.934 -2.953 1.00 0.80 H new ATOM 0 HB2 LYS B 114 18.207 -11.532 -4.608 1.00 1.37 H new ATOM 0 HB3 LYS B 114 18.553 -10.316 -3.394 1.00 1.37 H new ATOM 0 HG2 LYS B 114 20.558 -11.605 -3.780 1.00 1.56 H new ATOM 0 HG3 LYS B 114 19.971 -11.967 -2.168 1.00 1.56 H new ATOM 0 HD2 LYS B 114 18.667 -13.879 -3.699 1.00 2.38 H new ATOM 0 HD3 LYS B 114 20.201 -13.729 -4.532 1.00 2.38 H new ATOM 0 HE2 LYS B 114 20.732 -15.333 -2.941 1.00 2.81 H new ATOM 0 HE3 LYS B 114 21.239 -13.874 -2.113 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 19.979 -15.111 -0.582 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 18.958 -13.847 -1.076 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 18.734 -15.411 -1.698 1.00 3.21 H new