USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 735 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 131 SER OG : rot 140:sc= 0.0238 USER MOD Set 1.2: A 133 THR OG1 : rot 47:sc= 0.912 USER MOD Set 2.1: A 25 ASN :FLIP amide:sc= 0.816 F(o=-0.3,f=1.9) USER MOD Set 2.2: A 146 THR OG1 : rot -127:sc= 1.13 USER MOD Single : A 27 THR OG1 : rot -113:sc= 0.205 USER MOD Single : A 35 HIS :FLIP no HE2:sc= -0.18 F(o=-1.6,f=-0.18) USER MOD Single : A 38 LYS NZ :NH3+ -166:sc= -0.0317 (180deg=-0.314) USER MOD Single : A 39 ASN : amide:sc= 0.475 K(o=0.47,f=-4.6!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.171 USER MOD Single : A 45 SER OG : rot 180:sc= -0.688 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= -0.114 (180deg=-0.585) USER MOD Single : A 57 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.84) USER MOD Single : A 58 SER OG : rot 65:sc= 0.0508 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 63 MET CE :methyl -169:sc= 0 (180deg=-0.172) USER MOD Single : A 65 GLN : amide:sc= -0.538 K(o=-0.54,f=-2.9) USER MOD Single : A 66 MET CE :methyl 151:sc= -4.93! (180deg=-10.3!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -6:sc= 0.326! USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.286 USER MOD Single : A 85 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.039) USER MOD Single : A 92 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.015) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 5:sc= 0.597! USER MOD Single : A 100 ASN :FLIP amide:sc= -2.27! C(o=-2.9!,f=-2.3!) USER MOD Single : A 101 ASN : amide:sc= -4.11 K(o=-4.1,f=-9.5!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 165:sc= -2.05! USER MOD Single : A 113 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.24) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -120:sc= -1.54 USER MOD Single : A 117 TYR OH : rot 98:sc= -0.791 USER MOD Single : A 120 ASN : amide:sc= -1.5 K(o=-1.5,f=-3.9!) USER MOD Single : A 122 SER OG : rot -78:sc= -1.62! USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 11:sc= 0.721 USER MOD ----------------------------------------------------------------- ATOM 16 N ILE A 22 7.658 -9.457 4.124 1.00 0.00 N ATOM 17 CA ILE A 22 6.683 -8.824 3.245 1.00 0.00 C ATOM 18 C ILE A 22 7.172 -7.458 2.776 1.00 0.00 C ATOM 19 O ILE A 22 7.861 -6.749 3.509 1.00 0.00 O ATOM 20 CB ILE A 22 5.321 -8.657 3.942 1.00 0.00 C ATOM 21 CG1 ILE A 22 4.806 -10.011 4.433 1.00 0.00 C ATOM 22 CG2 ILE A 22 4.317 -8.015 2.995 1.00 0.00 C ATOM 23 CD1 ILE A 22 4.463 -10.971 3.315 1.00 0.00 C ATOM 0 HA ILE A 22 6.562 -9.480 2.383 1.00 0.00 H new ATOM 0 HB ILE A 22 5.448 -8.003 4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.561 -10.467 5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.920 -9.852 5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.359 -7.903 3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.682 -7.035 2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.191 -8.647 2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.105 -11.909 3.738 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.685 -10.536 2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.351 -11.160 2.713 1.00 0.00 H new ATOM 34 N ASP A 23 6.811 -7.095 1.550 1.00 0.00 N ATOM 35 CA ASP A 23 7.210 -5.812 0.984 1.00 0.00 C ATOM 36 C ASP A 23 6.017 -5.104 0.350 1.00 0.00 C ATOM 37 O ASP A 23 5.350 -5.652 -0.529 1.00 0.00 O ATOM 38 CB ASP A 23 8.313 -6.011 -0.057 1.00 0.00 C ATOM 39 CG ASP A 23 9.410 -4.971 0.055 1.00 0.00 C ATOM 40 OD1 ASP A 23 9.742 -4.581 1.194 1.00 0.00 O ATOM 41 OD2 ASP A 23 9.936 -4.546 -0.995 1.00 0.00 O ATOM 0 H ASP A 23 6.243 -7.671 0.929 1.00 0.00 H new ATOM 0 HA ASP A 23 7.592 -5.189 1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.745 -7.005 0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.878 -5.970 -1.055 1.00 0.00 H new ATOM 45 N LEU A 24 5.754 -3.881 0.800 1.00 0.00 N ATOM 46 CA LEU A 24 4.640 -3.098 0.278 1.00 0.00 C ATOM 47 C LEU A 24 5.127 -2.075 -0.743 1.00 0.00 C ATOM 48 O LEU A 24 5.699 -1.048 -0.385 1.00 0.00 O ATOM 49 CB LEU A 24 3.912 -2.387 1.421 1.00 0.00 C ATOM 50 CG LEU A 24 2.813 -3.189 2.118 1.00 0.00 C ATOM 51 CD1 LEU A 24 1.646 -3.431 1.172 1.00 0.00 C ATOM 52 CD2 LEU A 24 3.364 -4.509 2.638 1.00 0.00 C ATOM 0 H LEU A 24 6.297 -3.411 1.525 1.00 0.00 H new ATOM 0 HA LEU A 24 3.948 -3.779 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.650 -2.094 2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.472 -1.470 1.030 1.00 0.00 H new ATOM 0 HG LEU A 24 2.451 -2.610 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.874 -4.003 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.235 -2.474 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.993 -3.989 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.568 -5.067 3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.754 -5.094 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.165 -4.313 3.351 1.00 0.00 H new ATOM 63 N ASN A 25 4.891 -2.364 -2.020 1.00 0.00 N ATOM 64 CA ASN A 25 5.303 -1.469 -3.095 1.00 0.00 C ATOM 65 C ASN A 25 4.300 -0.334 -3.273 1.00 0.00 C ATOM 66 O ASN A 25 3.097 -0.520 -3.082 1.00 0.00 O ATOM 67 CB ASN A 25 5.451 -2.245 -4.404 1.00 0.00 C ATOM 68 CG ASN A 25 6.136 -3.584 -4.210 1.00 0.00 C ATOM 69 OD1 ASN A 25 5.679 -4.594 -4.939 1.00 0.00 O flip ATOM 70 ND2 ASN A 25 7.066 -3.706 -3.412 1.00 0.00 N flip ATOM 0 H ASN A 25 4.417 -3.211 -2.334 1.00 0.00 H new ATOM 0 HA ASN A 25 6.267 -1.038 -2.826 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.466 -2.405 -4.842 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.022 -1.648 -5.114 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.384 -2.901 -2.873 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.518 -4.612 -3.291 1.00 0.00 H new ATOM 76 N ILE A 26 4.801 0.840 -3.641 1.00 0.00 N ATOM 77 CA ILE A 26 3.948 2.004 -3.847 1.00 0.00 C ATOM 78 C ILE A 26 4.278 2.702 -5.163 1.00 0.00 C ATOM 79 O ILE A 26 5.435 3.023 -5.435 1.00 0.00 O ATOM 80 CB ILE A 26 4.087 3.015 -2.694 1.00 0.00 C ATOM 81 CG1 ILE A 26 3.859 2.323 -1.349 1.00 0.00 C ATOM 82 CG2 ILE A 26 3.108 4.164 -2.877 1.00 0.00 C ATOM 83 CD1 ILE A 26 5.133 1.819 -0.705 1.00 0.00 C ATOM 0 H ILE A 26 5.794 1.011 -3.803 1.00 0.00 H new ATOM 0 HA ILE A 26 2.921 1.641 -3.879 1.00 0.00 H new ATOM 0 HB ILE A 26 5.099 3.420 -2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.369 3.020 -0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.177 1.485 -1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.218 4.870 -2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.314 4.670 -3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.089 3.776 -2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.896 1.340 0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.614 1.097 -1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.808 2.657 -0.530 1.00 0.00 H new ATOM 94 N THR A 27 3.253 2.935 -5.976 1.00 0.00 N ATOM 95 CA THR A 27 3.433 3.594 -7.264 1.00 0.00 C ATOM 96 C THR A 27 3.345 5.109 -7.122 1.00 0.00 C ATOM 97 O THR A 27 3.258 5.635 -6.011 1.00 0.00 O ATOM 98 CB THR A 27 2.384 3.123 -8.288 1.00 0.00 C ATOM 99 OG1 THR A 27 2.770 3.529 -9.606 1.00 0.00 O ATOM 100 CG2 THR A 27 1.012 3.691 -7.959 1.00 0.00 C ATOM 0 H THR A 27 2.289 2.677 -5.765 1.00 0.00 H new ATOM 0 HA THR A 27 4.426 3.322 -7.623 1.00 0.00 H new ATOM 0 HB THR A 27 2.329 2.035 -8.244 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.135 4.195 -9.942 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.288 3.344 -8.696 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.708 3.357 -6.967 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.055 4.780 -7.977 1.00 0.00 H new ATOM 108 N CYS A 28 3.364 5.807 -8.253 1.00 0.00 N ATOM 109 CA CYS A 28 3.285 7.263 -8.255 1.00 0.00 C ATOM 110 C CYS A 28 2.091 7.743 -7.436 1.00 0.00 C ATOM 111 O CYS A 28 1.083 7.046 -7.320 1.00 0.00 O ATOM 112 CB CYS A 28 3.179 7.786 -9.689 1.00 0.00 C ATOM 113 SG CYS A 28 4.511 7.212 -10.791 1.00 0.00 S ATOM 0 H CYS A 28 3.433 5.387 -9.180 1.00 0.00 H new ATOM 0 HA CYS A 28 4.195 7.653 -7.800 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.220 7.479 -10.106 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.184 8.876 -9.668 1.00 0.00 H new ATOM 117 N ARG A 29 2.211 8.940 -6.871 1.00 0.00 N ATOM 118 CA ARG A 29 1.144 9.515 -6.063 1.00 0.00 C ATOM 119 C ARG A 29 0.538 10.737 -6.749 1.00 0.00 C ATOM 120 O ARG A 29 1.200 11.761 -6.910 1.00 0.00 O ATOM 121 CB ARG A 29 1.672 9.903 -4.680 1.00 0.00 C ATOM 122 CG ARG A 29 3.008 10.627 -4.722 1.00 0.00 C ATOM 123 CD ARG A 29 4.173 9.656 -4.612 1.00 0.00 C ATOM 124 NE ARG A 29 4.527 9.379 -3.224 1.00 0.00 N ATOM 125 CZ ARG A 29 5.066 10.279 -2.409 1.00 0.00 C ATOM 126 NH1 ARG A 29 5.312 11.508 -2.844 1.00 0.00 N ATOM 127 NH2 ARG A 29 5.361 9.952 -1.158 1.00 0.00 N ATOM 0 H ARG A 29 3.038 9.531 -6.959 1.00 0.00 H new ATOM 0 HA ARG A 29 0.365 8.761 -5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.938 10.539 -4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.774 9.003 -4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.089 11.190 -5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.057 11.349 -3.907 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.915 8.723 -5.113 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.038 10.068 -5.131 1.00 0.00 H new ATOM 0 HE ARG A 29 4.351 8.443 -2.859 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.087 11.763 -3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.726 12.198 -2.217 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.174 9.008 -0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.775 10.645 -0.534 1.00 0.00 H new ATOM 138 N PHE A 30 -0.722 10.619 -7.152 1.00 0.00 N ATOM 139 CA PHE A 30 -1.415 11.712 -7.823 1.00 0.00 C ATOM 140 C PHE A 30 -1.982 12.700 -6.807 1.00 0.00 C ATOM 141 O PHE A 30 -2.950 12.403 -6.108 1.00 0.00 O ATOM 142 CB PHE A 30 -2.543 11.166 -8.703 1.00 0.00 C ATOM 143 CG PHE A 30 -2.070 10.201 -9.750 1.00 0.00 C ATOM 144 CD1 PHE A 30 -1.836 8.872 -9.433 1.00 0.00 C ATOM 145 CD2 PHE A 30 -1.858 10.621 -11.054 1.00 0.00 C ATOM 146 CE1 PHE A 30 -1.401 7.981 -10.396 1.00 0.00 C ATOM 147 CE2 PHE A 30 -1.424 9.733 -12.020 1.00 0.00 C ATOM 148 CZ PHE A 30 -1.194 8.412 -11.691 1.00 0.00 C ATOM 0 H PHE A 30 -1.284 9.777 -7.026 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.694 12.235 -8.451 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.280 10.671 -8.070 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.049 11.999 -9.190 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.995 8.529 -8.422 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.034 11.653 -11.318 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.223 6.948 -10.135 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.265 10.073 -13.033 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.853 7.718 -12.445 1.00 0.00 H new ATOM 157 N ALA A 31 -1.369 13.878 -6.730 1.00 0.00 N ATOM 158 CA ALA A 31 -1.812 14.911 -5.803 1.00 0.00 C ATOM 159 C ALA A 31 -1.744 14.419 -4.360 1.00 0.00 C ATOM 160 O ALA A 31 -2.519 14.855 -3.510 1.00 0.00 O ATOM 161 CB ALA A 31 -3.226 15.357 -6.144 1.00 0.00 C ATOM 0 H ALA A 31 -0.564 14.140 -7.299 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.141 15.764 -5.901 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.543 16.129 -5.443 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.247 15.757 -7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.903 14.505 -6.076 1.00 0.00 H new ATOM 167 N GLY A 32 -0.815 13.507 -4.094 1.00 0.00 N ATOM 168 CA GLY A 32 -0.664 12.970 -2.753 1.00 0.00 C ATOM 169 C GLY A 32 -1.423 11.672 -2.560 1.00 0.00 C ATOM 170 O GLY A 32 -1.183 10.942 -1.599 1.00 0.00 O ATOM 0 H GLY A 32 -0.164 13.130 -4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.394 12.803 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.016 13.705 -2.029 1.00 0.00 H new ATOM 174 N VAL A 33 -2.342 11.384 -3.476 1.00 0.00 N ATOM 175 CA VAL A 33 -3.139 10.165 -3.402 1.00 0.00 C ATOM 176 C VAL A 33 -2.454 9.016 -4.133 1.00 0.00 C ATOM 177 O VAL A 33 -2.094 9.139 -5.305 1.00 0.00 O ATOM 178 CB VAL A 33 -4.543 10.376 -4.000 1.00 0.00 C ATOM 179 CG1 VAL A 33 -5.356 9.093 -3.918 1.00 0.00 C ATOM 180 CG2 VAL A 33 -5.259 11.515 -3.290 1.00 0.00 C ATOM 0 H VAL A 33 -2.553 11.978 -4.278 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.236 9.913 -2.346 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.435 10.644 -5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.345 9.261 -4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.849 8.305 -4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.457 8.793 -2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.249 11.650 -3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.358 11.279 -2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.684 12.434 -3.405 1.00 0.00 H new ATOM 190 N PHE A 34 -2.279 7.899 -3.436 1.00 0.00 N ATOM 191 CA PHE A 34 -1.637 6.726 -4.018 1.00 0.00 C ATOM 192 C PHE A 34 -2.214 5.442 -3.431 1.00 0.00 C ATOM 193 O PHE A 34 -2.838 5.456 -2.369 1.00 0.00 O ATOM 194 CB PHE A 34 -0.126 6.775 -3.781 1.00 0.00 C ATOM 195 CG PHE A 34 0.248 6.895 -2.331 1.00 0.00 C ATOM 196 CD1 PHE A 34 0.389 8.140 -1.739 1.00 0.00 C ATOM 197 CD2 PHE A 34 0.462 5.763 -1.561 1.00 0.00 C ATOM 198 CE1 PHE A 34 0.734 8.254 -0.406 1.00 0.00 C ATOM 199 CE2 PHE A 34 0.807 5.871 -0.226 1.00 0.00 C ATOM 200 CZ PHE A 34 0.943 7.118 0.352 1.00 0.00 C ATOM 0 H PHE A 34 -2.573 7.781 -2.466 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.830 6.732 -5.091 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.328 5.873 -4.192 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.293 7.620 -4.327 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.227 9.032 -2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.358 4.785 -2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.840 9.230 0.043 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.970 4.981 0.364 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.212 7.205 1.394 1.00 0.00 H new ATOM 209 N HIS A 35 -2.004 4.332 -4.132 1.00 0.00 N ATOM 210 CA HIS A 35 -2.504 3.038 -3.681 1.00 0.00 C ATOM 211 C HIS A 35 -1.357 2.143 -3.220 1.00 0.00 C ATOM 212 O HIS A 35 -0.238 2.241 -3.725 1.00 0.00 O ATOM 213 CB HIS A 35 -3.284 2.350 -4.801 1.00 0.00 C ATOM 214 CG HIS A 35 -2.410 1.711 -5.835 1.00 0.00 C ATOM 215 ND1 HIS A 35 -1.750 0.529 -5.830 1.00 0.00 N flip ATOM 216 CD2 HIS A 35 -2.130 2.300 -7.052 1.00 0.00 C flip ATOM 217 CE1 HIS A 35 -1.091 0.426 -7.030 1.00 0.00 C flip ATOM 218 NE2 HIS A 35 -1.336 1.506 -7.749 1.00 0.00 N flip ATOM 0 H HIS A 35 -1.492 4.303 -5.013 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.171 3.209 -2.836 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.933 1.590 -4.366 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.930 3.082 -5.285 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -1.744 -0.157 -5.075 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.501 3.259 -7.382 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.472 -0.404 -7.336 1.00 0.00 H new ATOM 225 N VAL A 36 -1.642 1.272 -2.257 1.00 0.00 N ATOM 226 CA VAL A 36 -0.634 0.359 -1.728 1.00 0.00 C ATOM 227 C VAL A 36 -0.769 -1.027 -2.348 1.00 0.00 C ATOM 228 O VAL A 36 -1.840 -1.632 -2.311 1.00 0.00 O ATOM 229 CB VAL A 36 -0.737 0.238 -0.197 1.00 0.00 C ATOM 230 CG1 VAL A 36 0.411 -0.599 0.351 1.00 0.00 C ATOM 231 CG2 VAL A 36 -0.757 1.615 0.447 1.00 0.00 C ATOM 0 H VAL A 36 -2.562 1.179 -1.827 1.00 0.00 H new ATOM 0 HA VAL A 36 0.339 0.776 -1.987 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.672 -0.265 0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.322 -0.674 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.374 -1.597 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.360 -0.126 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.830 1.509 1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.160 2.148 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.615 2.177 0.078 1.00 0.00 H new ATOM 241 N GLU A 37 0.325 -1.523 -2.918 1.00 0.00 N ATOM 242 CA GLU A 37 0.327 -2.840 -3.545 1.00 0.00 C ATOM 243 C GLU A 37 1.293 -3.782 -2.832 1.00 0.00 C ATOM 244 O GLU A 37 2.430 -3.416 -2.537 1.00 0.00 O ATOM 245 CB GLU A 37 0.711 -2.723 -5.023 1.00 0.00 C ATOM 246 CG GLU A 37 0.430 -3.983 -5.825 1.00 0.00 C ATOM 247 CD GLU A 37 0.675 -3.795 -7.309 1.00 0.00 C ATOM 248 OE1 GLU A 37 1.439 -2.877 -7.675 1.00 0.00 O ATOM 249 OE2 GLU A 37 0.103 -4.568 -8.107 1.00 0.00 O ATOM 0 H GLU A 37 1.219 -1.034 -2.959 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.679 -3.253 -3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.165 -1.890 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.772 -2.484 -5.097 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.060 -4.792 -5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.605 -4.287 -5.667 1.00 0.00 H new ATOM 254 N LYS A 38 0.829 -4.995 -2.555 1.00 0.00 N ATOM 255 CA LYS A 38 1.649 -5.991 -1.876 1.00 0.00 C ATOM 256 C LYS A 38 2.613 -6.660 -2.851 1.00 0.00 C ATOM 257 O LYS A 38 2.294 -6.842 -4.026 1.00 0.00 O ATOM 258 CB LYS A 38 0.762 -7.048 -1.216 1.00 0.00 C ATOM 259 CG LYS A 38 1.401 -7.713 -0.008 1.00 0.00 C ATOM 260 CD LYS A 38 0.844 -7.159 1.293 1.00 0.00 C ATOM 261 CE LYS A 38 0.749 -8.238 2.362 1.00 0.00 C ATOM 262 NZ LYS A 38 0.722 -7.658 3.733 1.00 0.00 N ATOM 0 H LYS A 38 -0.111 -5.313 -2.790 1.00 0.00 H new ATOM 0 HA LYS A 38 2.231 -5.482 -1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.176 -6.584 -0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.514 -7.813 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.229 -8.788 -0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.480 -7.562 -0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.481 -6.349 1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.143 -6.733 1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.151 -8.831 2.201 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.598 -8.916 2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.895 -8.409 4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.460 -6.930 3.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.209 -7.229 3.910 1.00 0.00 H new ATOM 272 N ASN A 39 3.791 -7.022 -2.356 1.00 0.00 N ATOM 273 CA ASN A 39 4.801 -7.671 -3.185 1.00 0.00 C ATOM 274 C ASN A 39 4.212 -8.867 -3.926 1.00 0.00 C ATOM 275 O ASN A 39 4.650 -9.209 -5.023 1.00 0.00 O ATOM 276 CB ASN A 39 5.983 -8.123 -2.324 1.00 0.00 C ATOM 277 CG ASN A 39 5.580 -9.148 -1.281 1.00 0.00 C ATOM 278 OD1 ASN A 39 5.298 -8.804 -0.133 1.00 0.00 O ATOM 279 ND2 ASN A 39 5.551 -10.416 -1.677 1.00 0.00 N ATOM 0 H ASN A 39 4.071 -6.877 -1.386 1.00 0.00 H new ATOM 0 HA ASN A 39 5.150 -6.947 -3.921 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.756 -8.546 -2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.420 -7.256 -1.828 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.287 -11.150 -1.019 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.793 -10.656 -2.639 1.00 0.00 H new ATOM 285 N GLY A 40 3.210 -9.498 -3.318 1.00 0.00 N ATOM 286 CA GLY A 40 2.575 -10.648 -3.935 1.00 0.00 C ATOM 287 C GLY A 40 1.365 -10.265 -4.765 1.00 0.00 C ATOM 288 O GLY A 40 1.465 -10.101 -5.980 1.00 0.00 O ATOM 0 H GLY A 40 2.828 -9.233 -2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.298 -11.163 -4.568 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.272 -11.352 -3.160 1.00 0.00 H new ATOM 292 N ARG A 41 0.219 -10.126 -4.107 1.00 0.00 N ATOM 293 CA ARG A 41 -1.015 -9.764 -4.793 1.00 0.00 C ATOM 294 C ARG A 41 -1.942 -8.982 -3.867 1.00 0.00 C ATOM 295 O ARG A 41 -1.654 -8.813 -2.682 1.00 0.00 O ATOM 296 CB ARG A 41 -1.728 -11.019 -5.302 1.00 0.00 C ATOM 297 CG ARG A 41 -1.219 -11.503 -6.649 1.00 0.00 C ATOM 298 CD ARG A 41 -1.558 -10.522 -7.759 1.00 0.00 C ATOM 299 NE ARG A 41 -1.518 -11.150 -9.077 1.00 0.00 N ATOM 300 CZ ARG A 41 -0.394 -11.496 -9.693 1.00 0.00 C ATOM 301 NH1 ARG A 41 0.777 -11.277 -9.113 1.00 0.00 N ATOM 302 NH2 ARG A 41 -0.440 -12.063 -10.891 1.00 0.00 N ATOM 0 H ARG A 41 0.119 -10.258 -3.101 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.757 -9.131 -5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.608 -11.817 -4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.796 -10.814 -5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.139 -11.642 -6.602 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.656 -12.476 -6.876 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.551 -10.107 -7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.856 -9.689 -7.733 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.403 -11.333 -9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.816 -10.842 -8.191 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.639 -11.544 -9.588 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.340 -12.234 -11.340 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.424 -12.328 -11.363 1.00 0.00 H new ATOM 313 N TYR A 42 -3.053 -8.503 -4.417 1.00 0.00 N ATOM 314 CA TYR A 42 -4.019 -7.734 -3.641 1.00 0.00 C ATOM 315 C TYR A 42 -4.532 -8.544 -2.454 1.00 0.00 C ATOM 316 O TYR A 42 -5.256 -9.524 -2.621 1.00 0.00 O ATOM 317 CB TYR A 42 -5.192 -7.310 -4.527 1.00 0.00 C ATOM 318 CG TYR A 42 -4.768 -6.687 -5.837 1.00 0.00 C ATOM 319 CD1 TYR A 42 -3.657 -5.853 -5.905 1.00 0.00 C ATOM 320 CD2 TYR A 42 -5.474 -6.933 -7.006 1.00 0.00 C ATOM 321 CE1 TYR A 42 -3.266 -5.282 -7.100 1.00 0.00 C ATOM 322 CE2 TYR A 42 -5.089 -6.367 -8.207 1.00 0.00 C ATOM 323 CZ TYR A 42 -3.985 -5.542 -8.249 1.00 0.00 C ATOM 324 OH TYR A 42 -3.597 -4.975 -9.441 1.00 0.00 O ATOM 0 H TYR A 42 -3.307 -8.634 -5.396 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.517 -6.844 -3.261 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.814 -8.181 -4.733 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.811 -6.599 -3.980 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.091 -5.649 -5.008 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.340 -7.578 -6.977 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.402 -4.635 -7.135 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.650 -6.570 -9.107 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.208 -5.260 -10.153 1.00 0.00 H new ATOM 333 N SER A 43 -4.148 -8.125 -1.251 1.00 0.00 N ATOM 334 CA SER A 43 -4.566 -8.811 -0.034 1.00 0.00 C ATOM 335 C SER A 43 -4.598 -7.847 1.149 1.00 0.00 C ATOM 336 O SER A 43 -4.330 -8.236 2.287 1.00 0.00 O ATOM 337 CB SER A 43 -3.621 -9.977 0.269 1.00 0.00 C ATOM 338 OG SER A 43 -3.465 -10.814 -0.864 1.00 0.00 O ATOM 0 H SER A 43 -3.549 -7.315 -1.094 1.00 0.00 H new ATOM 0 HA SER A 43 -5.572 -9.199 -0.192 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.649 -9.591 0.577 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.012 -10.559 1.104 1.00 0.00 H new ATOM 0 HG SER A 43 -2.856 -11.550 -0.646 1.00 0.00 H new ATOM 343 N ILE A 44 -4.926 -6.590 0.870 1.00 0.00 N ATOM 344 CA ILE A 44 -4.995 -5.572 1.910 1.00 0.00 C ATOM 345 C ILE A 44 -6.437 -5.321 2.340 1.00 0.00 C ATOM 346 O ILE A 44 -7.301 -5.036 1.511 1.00 0.00 O ATOM 347 CB ILE A 44 -4.373 -4.244 1.439 1.00 0.00 C ATOM 348 CG1 ILE A 44 -2.912 -4.456 1.034 1.00 0.00 C ATOM 349 CG2 ILE A 44 -4.477 -3.193 2.535 1.00 0.00 C ATOM 350 CD1 ILE A 44 -2.714 -4.592 -0.459 1.00 0.00 C ATOM 0 H ILE A 44 -5.148 -6.253 -0.067 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.426 -5.950 2.760 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.924 -3.889 0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.317 -3.618 1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.533 -5.352 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.033 -2.260 2.188 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.526 -3.027 2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.947 -3.539 3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.656 -4.740 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.281 -5.448 -0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.062 -3.687 -0.956 1.00 0.00 H new ATOM 361 N SER A 45 -6.688 -5.425 3.640 1.00 0.00 N ATOM 362 CA SER A 45 -8.025 -5.211 4.181 1.00 0.00 C ATOM 363 C SER A 45 -8.134 -3.835 4.832 1.00 0.00 C ATOM 364 O SER A 45 -7.142 -3.119 4.966 1.00 0.00 O ATOM 365 CB SER A 45 -8.367 -6.298 5.201 1.00 0.00 C ATOM 366 OG SER A 45 -9.751 -6.605 5.176 1.00 0.00 O ATOM 0 H SER A 45 -5.983 -5.656 4.339 1.00 0.00 H new ATOM 0 HA SER A 45 -8.735 -5.261 3.356 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.788 -7.197 4.987 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.083 -5.966 6.200 1.00 0.00 H new ATOM 0 HG SER A 45 -9.943 -7.304 5.836 1.00 0.00 H new ATOM 371 N ARG A 46 -9.348 -3.473 5.233 1.00 0.00 N ATOM 372 CA ARG A 46 -9.589 -2.183 5.869 1.00 0.00 C ATOM 373 C ARG A 46 -8.841 -2.083 7.195 1.00 0.00 C ATOM 374 O ARG A 46 -8.358 -1.014 7.569 1.00 0.00 O ATOM 375 CB ARG A 46 -11.087 -1.975 6.099 1.00 0.00 C ATOM 376 CG ARG A 46 -11.482 -0.516 6.259 1.00 0.00 C ATOM 377 CD ARG A 46 -12.918 -0.378 6.739 1.00 0.00 C ATOM 378 NE ARG A 46 -13.880 -0.648 5.675 1.00 0.00 N ATOM 379 CZ ARG A 46 -15.190 -0.467 5.804 1.00 0.00 C ATOM 380 NH1 ARG A 46 -15.691 -0.019 6.947 1.00 0.00 N ATOM 381 NH2 ARG A 46 -16.002 -0.736 4.789 1.00 0.00 N ATOM 0 H ARG A 46 -10.180 -4.054 5.129 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.219 -1.403 5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.637 -2.402 5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.389 -2.524 6.991 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.812 -0.032 6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.364 0.001 5.307 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.091 -1.066 7.567 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.076 0.630 7.123 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.527 -0.995 4.783 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.070 0.188 7.730 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.697 0.119 7.044 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.621 -1.082 3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.007 -0.597 4.889 1.00 0.00 H new ATOM 392 N THR A 47 -8.752 -3.203 7.905 1.00 0.00 N ATOM 393 CA THR A 47 -8.066 -3.242 9.190 1.00 0.00 C ATOM 394 C THR A 47 -6.573 -2.978 9.024 1.00 0.00 C ATOM 395 O THR A 47 -5.927 -2.437 9.920 1.00 0.00 O ATOM 396 CB THR A 47 -8.260 -4.599 9.891 1.00 0.00 C ATOM 397 OG1 THR A 47 -7.476 -4.651 11.088 1.00 0.00 O ATOM 398 CG2 THR A 47 -7.864 -5.744 8.971 1.00 0.00 C ATOM 0 H THR A 47 -9.147 -4.096 7.611 1.00 0.00 H new ATOM 0 HA THR A 47 -8.506 -2.458 9.806 1.00 0.00 H new ATOM 0 HB THR A 47 -9.315 -4.703 10.144 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.607 -5.517 11.528 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.009 -6.693 9.488 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.483 -5.721 8.074 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.816 -5.640 8.691 1.00 0.00 H new ATOM 406 N GLU A 48 -6.033 -3.363 7.871 1.00 0.00 N ATOM 407 CA GLU A 48 -4.616 -3.167 7.590 1.00 0.00 C ATOM 408 C GLU A 48 -4.387 -1.862 6.833 1.00 0.00 C ATOM 409 O GLU A 48 -3.279 -1.327 6.815 1.00 0.00 O ATOM 410 CB GLU A 48 -4.067 -4.343 6.780 1.00 0.00 C ATOM 411 CG GLU A 48 -3.762 -5.571 7.621 1.00 0.00 C ATOM 412 CD GLU A 48 -3.389 -6.777 6.779 1.00 0.00 C ATOM 413 OE1 GLU A 48 -2.430 -6.672 5.986 1.00 0.00 O ATOM 414 OE2 GLU A 48 -4.056 -7.824 6.916 1.00 0.00 O ATOM 0 H GLU A 48 -6.555 -3.812 7.118 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.087 -3.112 8.541 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.789 -4.611 6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.157 -4.028 6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.945 -5.344 8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.632 -5.814 8.232 1.00 0.00 H new ATOM 419 N ALA A 49 -5.445 -1.354 6.206 1.00 0.00 N ATOM 420 CA ALA A 49 -5.360 -0.113 5.449 1.00 0.00 C ATOM 421 C ALA A 49 -4.731 0.998 6.281 1.00 0.00 C ATOM 422 O ALA A 49 -3.693 1.549 5.917 1.00 0.00 O ATOM 423 CB ALA A 49 -6.740 0.305 4.965 1.00 0.00 C ATOM 0 H ALA A 49 -6.370 -1.784 6.209 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.720 -0.288 4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.662 1.234 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.153 -0.475 4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.396 0.455 5.822 1.00 0.00 H new ATOM 429 N ALA A 50 -5.365 1.322 7.404 1.00 0.00 N ATOM 430 CA ALA A 50 -4.866 2.366 8.290 1.00 0.00 C ATOM 431 C ALA A 50 -3.399 2.139 8.634 1.00 0.00 C ATOM 432 O ALA A 50 -2.557 3.011 8.414 1.00 0.00 O ATOM 433 CB ALA A 50 -5.705 2.428 9.558 1.00 0.00 C ATOM 0 H ALA A 50 -6.226 0.876 7.721 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.946 3.320 7.768 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.321 3.212 10.210 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.741 2.647 9.299 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.655 1.469 10.075 1.00 0.00 H new ATOM 439 N ASP A 51 -3.097 0.963 9.173 1.00 0.00 N ATOM 440 CA ASP A 51 -1.730 0.621 9.548 1.00 0.00 C ATOM 441 C ASP A 51 -0.771 0.864 8.386 1.00 0.00 C ATOM 442 O ASP A 51 0.346 1.344 8.581 1.00 0.00 O ATOM 443 CB ASP A 51 -1.651 -0.840 9.992 1.00 0.00 C ATOM 444 CG ASP A 51 -0.549 -1.078 11.006 1.00 0.00 C ATOM 445 OD1 ASP A 51 0.632 -1.119 10.602 1.00 0.00 O ATOM 446 OD2 ASP A 51 -0.868 -1.222 12.205 1.00 0.00 O ATOM 0 H ASP A 51 -3.781 0.230 9.360 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.436 1.262 10.379 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.607 -1.138 10.422 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.482 -1.473 9.121 1.00 0.00 H new ATOM 450 N LEU A 52 -1.215 0.533 7.179 1.00 0.00 N ATOM 451 CA LEU A 52 -0.397 0.714 5.986 1.00 0.00 C ATOM 452 C LEU A 52 -0.075 2.189 5.766 1.00 0.00 C ATOM 453 O LEU A 52 1.089 2.568 5.636 1.00 0.00 O ATOM 454 CB LEU A 52 -1.116 0.148 4.759 1.00 0.00 C ATOM 455 CG LEU A 52 -0.250 -0.647 3.782 1.00 0.00 C ATOM 456 CD1 LEU A 52 0.992 0.146 3.402 1.00 0.00 C ATOM 457 CD2 LEU A 52 0.136 -1.991 4.382 1.00 0.00 C ATOM 0 H LEU A 52 -2.138 0.137 7.001 1.00 0.00 H new ATOM 0 HA LEU A 52 0.539 0.174 6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.926 -0.496 5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.574 0.975 4.217 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.831 -0.829 2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.596 -0.436 2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.695 1.083 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.575 0.360 4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.752 -2.543 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.698 -1.831 5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.765 -2.564 4.602 1.00 0.00 H new ATOM 468 N CYS A 53 -1.114 3.016 5.727 1.00 0.00 N ATOM 469 CA CYS A 53 -0.944 4.450 5.525 1.00 0.00 C ATOM 470 C CYS A 53 0.048 5.027 6.531 1.00 0.00 C ATOM 471 O CYS A 53 0.982 5.739 6.161 1.00 0.00 O ATOM 472 CB CYS A 53 -2.289 5.168 5.649 1.00 0.00 C ATOM 473 SG CYS A 53 -3.523 4.654 4.412 1.00 0.00 S ATOM 0 H CYS A 53 -2.084 2.717 5.833 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.549 4.605 4.521 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -2.693 4.990 6.645 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -2.125 6.242 5.559 1.00 0.00 H new ATOM 477 N LYS A 54 -0.160 4.714 7.805 1.00 0.00 N ATOM 478 CA LYS A 54 0.716 5.198 8.866 1.00 0.00 C ATOM 479 C LYS A 54 2.116 4.608 8.729 1.00 0.00 C ATOM 480 O LYS A 54 3.105 5.241 9.097 1.00 0.00 O ATOM 481 CB LYS A 54 0.133 4.846 10.236 1.00 0.00 C ATOM 482 CG LYS A 54 0.946 5.389 11.400 1.00 0.00 C ATOM 483 CD LYS A 54 0.261 5.123 12.730 1.00 0.00 C ATOM 484 CE LYS A 54 1.262 5.087 13.874 1.00 0.00 C ATOM 485 NZ LYS A 54 2.221 3.957 13.736 1.00 0.00 N ATOM 0 H LYS A 54 -0.928 4.127 8.129 1.00 0.00 H new ATOM 0 HA LYS A 54 0.789 6.282 8.777 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.883 5.235 10.300 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.065 3.762 10.325 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.934 4.930 11.400 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.093 6.462 11.273 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.482 5.898 12.919 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.273 4.174 12.682 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.811 6.028 13.906 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.729 4.997 14.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.563 3.675 14.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.744 3.150 13.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.026 4.255 13.149 1.00 0.00 H new ATOM 495 N ALA A 55 2.190 3.393 8.195 1.00 0.00 N ATOM 496 CA ALA A 55 3.468 2.720 8.005 1.00 0.00 C ATOM 497 C ALA A 55 4.272 3.370 6.884 1.00 0.00 C ATOM 498 O ALA A 55 5.433 3.031 6.660 1.00 0.00 O ATOM 499 CB ALA A 55 3.248 1.243 7.713 1.00 0.00 C ATOM 0 H ALA A 55 1.380 2.855 7.887 1.00 0.00 H new ATOM 0 HA ALA A 55 4.041 2.816 8.927 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.211 0.752 7.573 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.723 0.781 8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.651 1.136 6.807 1.00 0.00 H new ATOM 505 N PHE A 56 3.644 4.307 6.179 1.00 0.00 N ATOM 506 CA PHE A 56 4.299 5.003 5.079 1.00 0.00 C ATOM 507 C PHE A 56 4.172 6.515 5.239 1.00 0.00 C ATOM 508 O PHE A 56 4.118 7.252 4.256 1.00 0.00 O ATOM 509 CB PHE A 56 3.697 4.569 3.741 1.00 0.00 C ATOM 510 CG PHE A 56 4.523 4.971 2.554 1.00 0.00 C ATOM 511 CD1 PHE A 56 5.899 4.801 2.560 1.00 0.00 C ATOM 512 CD2 PHE A 56 3.925 5.520 1.431 1.00 0.00 C ATOM 513 CE1 PHE A 56 6.661 5.171 1.467 1.00 0.00 C ATOM 514 CE2 PHE A 56 4.684 5.891 0.336 1.00 0.00 C ATOM 515 CZ PHE A 56 6.053 5.717 0.354 1.00 0.00 C ATOM 0 H PHE A 56 2.682 4.601 6.351 1.00 0.00 H new ATOM 0 HA PHE A 56 5.357 4.741 5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.577 3.486 3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.701 5.000 3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.381 4.375 3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.854 5.660 1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.732 5.033 1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.205 6.317 -0.533 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.647 6.007 -0.500 1.00 0.00 H new ATOM 524 N ASN A 57 4.123 6.970 6.487 1.00 0.00 N ATOM 525 CA ASN A 57 4.000 8.393 6.780 1.00 0.00 C ATOM 526 C ASN A 57 2.850 9.012 5.991 1.00 0.00 C ATOM 527 O ASN A 57 3.022 10.024 5.313 1.00 0.00 O ATOM 528 CB ASN A 57 5.307 9.117 6.448 1.00 0.00 C ATOM 529 CG ASN A 57 5.281 10.577 6.863 1.00 0.00 C ATOM 530 OD1 ASN A 57 5.173 11.469 6.021 1.00 0.00 O ATOM 531 ND2 ASN A 57 5.381 10.824 8.164 1.00 0.00 N ATOM 0 H ASN A 57 4.167 6.373 7.313 1.00 0.00 H new ATOM 0 HA ASN A 57 3.790 8.504 7.844 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.135 8.615 6.948 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.494 9.050 5.376 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.370 11.786 8.503 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.469 10.052 8.824 1.00 0.00 H new ATOM 537 N SER A 58 1.675 8.397 6.089 1.00 0.00 N ATOM 538 CA SER A 58 0.497 8.886 5.384 1.00 0.00 C ATOM 539 C SER A 58 -0.782 8.436 6.085 1.00 0.00 C ATOM 540 O SER A 58 -0.740 7.660 7.041 1.00 0.00 O ATOM 541 CB SER A 58 0.499 8.389 3.936 1.00 0.00 C ATOM 542 OG SER A 58 1.822 8.218 3.458 1.00 0.00 O ATOM 0 H SER A 58 1.514 7.560 6.649 1.00 0.00 H new ATOM 0 HA SER A 58 0.529 9.976 5.387 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.039 7.443 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.031 9.101 3.303 1.00 0.00 H new ATOM 0 HG SER A 58 2.263 7.503 3.963 1.00 0.00 H new ATOM 547 N THR A 59 -1.919 8.928 5.603 1.00 0.00 N ATOM 548 CA THR A 59 -3.210 8.579 6.183 1.00 0.00 C ATOM 549 C THR A 59 -4.191 8.126 5.108 1.00 0.00 C ATOM 550 O THR A 59 -3.815 7.931 3.952 1.00 0.00 O ATOM 551 CB THR A 59 -3.819 9.765 6.952 1.00 0.00 C ATOM 552 OG1 THR A 59 -4.245 10.777 6.034 1.00 0.00 O ATOM 553 CG2 THR A 59 -2.812 10.351 7.930 1.00 0.00 C ATOM 0 H THR A 59 -1.972 9.570 4.812 1.00 0.00 H new ATOM 0 HA THR A 59 -3.033 7.758 6.878 1.00 0.00 H new ATOM 0 HB THR A 59 -4.678 9.401 7.515 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.633 11.527 6.531 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.265 11.188 8.462 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.512 9.586 8.646 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.935 10.700 7.384 1.00 0.00 H new ATOM 561 N LEU A 60 -5.451 7.961 5.495 1.00 0.00 N ATOM 562 CA LEU A 60 -6.488 7.532 4.564 1.00 0.00 C ATOM 563 C LEU A 60 -7.042 8.718 3.783 1.00 0.00 C ATOM 564 O LEU A 60 -7.179 9.826 4.302 1.00 0.00 O ATOM 565 CB LEU A 60 -7.619 6.829 5.317 1.00 0.00 C ATOM 566 CG LEU A 60 -7.246 5.526 6.024 1.00 0.00 C ATOM 567 CD1 LEU A 60 -8.157 5.285 7.219 1.00 0.00 C ATOM 568 CD2 LEU A 60 -7.317 4.353 5.054 1.00 0.00 C ATOM 0 H LEU A 60 -5.779 8.118 6.448 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.041 6.832 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.019 7.520 6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.423 6.619 4.611 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.221 5.613 6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.876 4.353 7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.058 6.110 7.924 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.191 5.219 6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.048 3.434 5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.330 4.265 4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.623 4.520 4.230 1.00 0.00 H new ATOM 579 N PRO A 61 -7.373 8.483 2.504 1.00 0.00 N ATOM 580 CA PRO A 61 -7.921 9.519 1.624 1.00 0.00 C ATOM 581 C PRO A 61 -9.337 9.925 2.018 1.00 0.00 C ATOM 582 O PRO A 61 -9.855 9.493 3.050 1.00 0.00 O ATOM 583 CB PRO A 61 -7.919 8.854 0.247 1.00 0.00 C ATOM 584 CG PRO A 61 -7.987 7.393 0.532 1.00 0.00 C ATOM 585 CD PRO A 61 -7.237 7.187 1.819 1.00 0.00 C ATOM 0 HA PRO A 61 -7.339 10.440 1.668 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.769 9.181 -0.352 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.019 9.107 -0.313 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.021 7.061 0.626 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.539 6.816 -0.277 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.664 6.375 2.407 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.192 6.935 1.639 1.00 0.00 H new ATOM 590 N THR A 62 -9.962 10.758 1.191 1.00 0.00 N ATOM 591 CA THR A 62 -11.318 11.221 1.453 1.00 0.00 C ATOM 592 C THR A 62 -12.171 11.169 0.191 1.00 0.00 C ATOM 593 O THR A 62 -11.647 11.143 -0.922 1.00 0.00 O ATOM 594 CB THR A 62 -11.323 12.660 2.003 1.00 0.00 C ATOM 595 OG1 THR A 62 -12.659 13.177 2.010 1.00 0.00 O ATOM 596 CG2 THR A 62 -10.429 13.563 1.166 1.00 0.00 C ATOM 0 H THR A 62 -9.549 11.126 0.334 1.00 0.00 H new ATOM 0 HA THR A 62 -11.741 10.551 2.202 1.00 0.00 H new ATOM 0 HB THR A 62 -10.937 12.637 3.022 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.654 14.091 2.363 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.449 14.574 1.574 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.407 13.183 1.186 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.789 13.580 0.137 1.00 0.00 H new ATOM 604 N MET A 63 -13.487 11.153 0.371 1.00 0.00 N ATOM 605 CA MET A 63 -14.412 11.106 -0.755 1.00 0.00 C ATOM 606 C MET A 63 -14.075 12.183 -1.782 1.00 0.00 C ATOM 607 O MET A 63 -14.300 12.004 -2.978 1.00 0.00 O ATOM 608 CB MET A 63 -15.852 11.284 -0.268 1.00 0.00 C ATOM 609 CG MET A 63 -16.895 10.827 -1.275 1.00 0.00 C ATOM 610 SD MET A 63 -18.578 11.206 -0.752 1.00 0.00 S ATOM 611 CE MET A 63 -18.765 10.080 0.629 1.00 0.00 C ATOM 0 H MET A 63 -13.937 11.172 1.286 1.00 0.00 H new ATOM 0 HA MET A 63 -14.314 10.131 -1.232 1.00 0.00 H new ATOM 0 HB2 MET A 63 -15.985 10.726 0.659 1.00 0.00 H new ATOM 0 HB3 MET A 63 -16.021 12.335 -0.034 1.00 0.00 H new ATOM 0 HG2 MET A 63 -16.701 11.305 -2.235 1.00 0.00 H new ATOM 0 HG3 MET A 63 -16.800 9.752 -1.428 1.00 0.00 H new ATOM 0 HE1 MET A 63 -19.810 10.052 0.936 1.00 0.00 H new ATOM 0 HE2 MET A 63 -18.447 9.081 0.330 1.00 0.00 H new ATOM 0 HE3 MET A 63 -18.151 10.421 1.462 1.00 0.00 H new ATOM 619 N ALA A 64 -13.534 13.299 -1.305 1.00 0.00 N ATOM 620 CA ALA A 64 -13.165 14.403 -2.182 1.00 0.00 C ATOM 621 C ALA A 64 -11.919 14.065 -2.996 1.00 0.00 C ATOM 622 O ALA A 64 -11.898 14.235 -4.214 1.00 0.00 O ATOM 623 CB ALA A 64 -12.940 15.670 -1.370 1.00 0.00 C ATOM 0 H ALA A 64 -13.342 13.462 -0.317 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.987 14.572 -2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.665 16.486 -2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.856 15.929 -0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.138 15.504 -0.651 1.00 0.00 H new ATOM 629 N GLN A 65 -10.884 13.587 -2.313 1.00 0.00 N ATOM 630 CA GLN A 65 -9.635 13.226 -2.974 1.00 0.00 C ATOM 631 C GLN A 65 -9.895 12.317 -4.170 1.00 0.00 C ATOM 632 O GLN A 65 -9.306 12.495 -5.236 1.00 0.00 O ATOM 633 CB GLN A 65 -8.695 12.533 -1.987 1.00 0.00 C ATOM 634 CG GLN A 65 -7.935 13.498 -1.089 1.00 0.00 C ATOM 635 CD GLN A 65 -6.897 14.303 -1.846 1.00 0.00 C ATOM 636 OE1 GLN A 65 -6.807 14.227 -3.072 1.00 0.00 O ATOM 637 NE2 GLN A 65 -6.106 15.082 -1.118 1.00 0.00 N ATOM 0 H GLN A 65 -10.885 13.441 -1.304 1.00 0.00 H new ATOM 0 HA GLN A 65 -9.165 14.141 -3.333 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.274 11.850 -1.365 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.979 11.928 -2.544 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.641 14.178 -0.613 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.445 12.938 -0.292 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.215 15.115 -0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.389 15.648 -1.572 1.00 0.00 H new ATOM 644 N MET A 66 -10.779 11.343 -3.987 1.00 0.00 N ATOM 645 CA MET A 66 -11.118 10.406 -5.052 1.00 0.00 C ATOM 646 C MET A 66 -11.560 11.150 -6.309 1.00 0.00 C ATOM 647 O MET A 66 -10.921 11.050 -7.356 1.00 0.00 O ATOM 648 CB MET A 66 -12.224 9.455 -4.593 1.00 0.00 C ATOM 649 CG MET A 66 -11.914 8.748 -3.283 1.00 0.00 C ATOM 650 SD MET A 66 -10.381 7.800 -3.353 1.00 0.00 S ATOM 651 CE MET A 66 -10.986 6.222 -3.948 1.00 0.00 C ATOM 0 H MET A 66 -11.275 11.181 -3.110 1.00 0.00 H new ATOM 0 HA MET A 66 -10.226 9.825 -5.288 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.152 10.016 -4.483 1.00 0.00 H new ATOM 0 HB3 MET A 66 -12.394 8.708 -5.368 1.00 0.00 H new ATOM 0 HG2 MET A 66 -11.845 9.486 -2.484 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.738 8.081 -3.030 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.202 5.723 -4.517 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.272 5.599 -3.101 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.853 6.383 -4.589 1.00 0.00 H new ATOM 659 N GLU A 67 -12.654 11.895 -6.197 1.00 0.00 N ATOM 660 CA GLU A 67 -13.181 12.654 -7.325 1.00 0.00 C ATOM 661 C GLU A 67 -12.121 13.598 -7.887 1.00 0.00 C ATOM 662 O GLU A 67 -12.124 13.917 -9.076 1.00 0.00 O ATOM 663 CB GLU A 67 -14.416 13.450 -6.901 1.00 0.00 C ATOM 664 CG GLU A 67 -15.442 12.623 -6.146 1.00 0.00 C ATOM 665 CD GLU A 67 -16.868 12.951 -6.549 1.00 0.00 C ATOM 666 OE1 GLU A 67 -17.087 14.045 -7.111 1.00 0.00 O ATOM 667 OE2 GLU A 67 -17.762 12.114 -6.305 1.00 0.00 O ATOM 0 H GLU A 67 -13.193 11.990 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.465 11.947 -8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.102 14.285 -6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.886 13.876 -7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.252 11.565 -6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.323 12.792 -5.076 1.00 0.00 H new ATOM 672 N LYS A 68 -11.217 14.043 -7.022 1.00 0.00 N ATOM 673 CA LYS A 68 -10.150 14.951 -7.429 1.00 0.00 C ATOM 674 C LYS A 68 -9.121 14.228 -8.293 1.00 0.00 C ATOM 675 O LYS A 68 -9.018 14.481 -9.493 1.00 0.00 O ATOM 676 CB LYS A 68 -9.467 15.553 -6.199 1.00 0.00 C ATOM 677 CG LYS A 68 -9.520 17.070 -6.155 1.00 0.00 C ATOM 678 CD LYS A 68 -8.812 17.688 -7.349 1.00 0.00 C ATOM 679 CE LYS A 68 -9.112 19.174 -7.467 1.00 0.00 C ATOM 680 NZ LYS A 68 -8.323 19.978 -6.493 1.00 0.00 N ATOM 0 H LYS A 68 -11.201 13.790 -6.034 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.594 15.753 -8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.939 15.155 -5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.425 15.234 -6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.559 17.398 -6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.058 17.424 -5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.736 17.539 -7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.123 17.179 -8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.890 19.510 -8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.176 19.344 -7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.556 20.985 -6.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.554 19.675 -5.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.308 19.836 -6.667 1.00 0.00 H new ATOM 690 N ALA A 69 -8.363 13.329 -7.676 1.00 0.00 N ATOM 691 CA ALA A 69 -7.345 12.568 -8.388 1.00 0.00 C ATOM 692 C ALA A 69 -7.932 11.892 -9.625 1.00 0.00 C ATOM 693 O ALA A 69 -7.219 11.626 -10.595 1.00 0.00 O ATOM 694 CB ALA A 69 -6.717 11.532 -7.467 1.00 0.00 C ATOM 0 H ALA A 69 -8.435 13.109 -6.683 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.571 13.262 -8.716 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.958 10.972 -8.013 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.255 12.034 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.487 10.848 -7.110 1.00 0.00 H new ATOM 700 N LEU A 70 -9.230 11.619 -9.585 1.00 0.00 N ATOM 701 CA LEU A 70 -9.911 10.974 -10.703 1.00 0.00 C ATOM 702 C LEU A 70 -9.698 11.756 -11.994 1.00 0.00 C ATOM 703 O LEU A 70 -9.665 11.180 -13.082 1.00 0.00 O ATOM 704 CB LEU A 70 -11.408 10.849 -10.408 1.00 0.00 C ATOM 705 CG LEU A 70 -12.272 10.305 -11.548 1.00 0.00 C ATOM 706 CD1 LEU A 70 -12.478 8.807 -11.392 1.00 0.00 C ATOM 707 CD2 LEU A 70 -13.609 11.028 -11.594 1.00 0.00 C ATOM 0 H LEU A 70 -9.833 11.834 -8.791 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.487 9.978 -10.831 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -11.535 10.201 -9.541 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.787 11.832 -10.129 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.753 10.483 -12.490 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.095 8.437 -12.211 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.512 8.303 -11.409 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.976 8.605 -10.444 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.211 10.629 -12.410 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.135 10.881 -10.650 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.441 12.093 -11.754 1.00 0.00 H new ATOM 718 N SER A 71 -9.551 13.072 -11.867 1.00 0.00 N ATOM 719 CA SER A 71 -9.343 13.933 -13.025 1.00 0.00 C ATOM 720 C SER A 71 -7.854 14.159 -13.272 1.00 0.00 C ATOM 721 O SER A 71 -7.460 14.679 -14.316 1.00 0.00 O ATOM 722 CB SER A 71 -10.048 15.275 -12.823 1.00 0.00 C ATOM 723 OG SER A 71 -9.577 16.242 -13.744 1.00 0.00 O ATOM 0 H SER A 71 -9.572 13.564 -10.974 1.00 0.00 H new ATOM 0 HA SER A 71 -9.768 13.436 -13.898 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.124 15.146 -12.944 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.882 15.627 -11.805 1.00 0.00 H new ATOM 0 HG SER A 71 -8.827 15.871 -14.253 1.00 0.00 H new ATOM 728 N ILE A 72 -7.034 13.766 -12.304 1.00 0.00 N ATOM 729 CA ILE A 72 -5.590 13.925 -12.416 1.00 0.00 C ATOM 730 C ILE A 72 -4.965 12.761 -13.177 1.00 0.00 C ATOM 731 O ILE A 72 -4.059 12.950 -13.988 1.00 0.00 O ATOM 732 CB ILE A 72 -4.925 14.032 -11.030 1.00 0.00 C ATOM 733 CG1 ILE A 72 -5.502 15.219 -10.255 1.00 0.00 C ATOM 734 CG2 ILE A 72 -3.417 14.168 -11.174 1.00 0.00 C ATOM 735 CD1 ILE A 72 -4.906 15.385 -8.873 1.00 0.00 C ATOM 0 H ILE A 72 -7.345 13.335 -11.433 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.418 14.850 -12.966 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.135 13.120 -10.471 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.334 16.132 -10.826 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.581 15.094 -10.164 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.962 14.242 -10.186 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.021 13.294 -11.691 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.186 15.065 -11.748 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.361 16.245 -8.381 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.097 14.488 -8.284 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.831 15.542 -8.957 1.00 0.00 H new ATOM 746 N GLY A 73 -5.459 11.555 -12.912 1.00 0.00 N ATOM 747 CA GLY A 73 -4.939 10.377 -13.583 1.00 0.00 C ATOM 748 C GLY A 73 -4.859 9.175 -12.662 1.00 0.00 C ATOM 749 O GLY A 73 -3.903 8.400 -12.725 1.00 0.00 O ATOM 0 H GLY A 73 -6.209 11.373 -12.245 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.575 10.137 -14.435 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.947 10.595 -13.978 1.00 0.00 H new ATOM 753 N PHE A 74 -5.861 9.020 -11.805 1.00 0.00 N ATOM 754 CA PHE A 74 -5.898 7.905 -10.866 1.00 0.00 C ATOM 755 C PHE A 74 -7.022 6.934 -11.218 1.00 0.00 C ATOM 756 O PHE A 74 -8.092 6.961 -10.613 1.00 0.00 O ATOM 757 CB PHE A 74 -6.083 8.419 -9.437 1.00 0.00 C ATOM 758 CG PHE A 74 -5.767 7.396 -8.385 1.00 0.00 C ATOM 759 CD1 PHE A 74 -4.622 6.622 -8.475 1.00 0.00 C ATOM 760 CD2 PHE A 74 -6.616 7.207 -7.306 1.00 0.00 C ATOM 761 CE1 PHE A 74 -4.328 5.678 -7.508 1.00 0.00 C ATOM 762 CE2 PHE A 74 -6.326 6.266 -6.336 1.00 0.00 C ATOM 763 CZ PHE A 74 -5.182 5.501 -6.437 1.00 0.00 C ATOM 0 H PHE A 74 -6.659 9.652 -11.741 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.948 7.375 -10.934 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.445 9.290 -9.288 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.113 8.752 -9.310 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.951 6.757 -9.310 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.514 7.801 -7.222 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.432 5.080 -7.590 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.995 6.129 -5.499 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.955 4.765 -5.680 1.00 0.00 H new ATOM 772 N GLU A 75 -6.768 6.077 -12.202 1.00 0.00 N ATOM 773 CA GLU A 75 -7.758 5.098 -12.636 1.00 0.00 C ATOM 774 C GLU A 75 -7.327 3.683 -12.257 1.00 0.00 C ATOM 775 O GLU A 75 -6.135 3.383 -12.185 1.00 0.00 O ATOM 776 CB GLU A 75 -7.970 5.191 -14.148 1.00 0.00 C ATOM 777 CG GLU A 75 -6.827 4.603 -14.961 1.00 0.00 C ATOM 778 CD GLU A 75 -7.065 4.702 -16.454 1.00 0.00 C ATOM 779 OE1 GLU A 75 -7.588 5.741 -16.906 1.00 0.00 O ATOM 780 OE2 GLU A 75 -6.725 3.738 -17.173 1.00 0.00 O ATOM 0 H GLU A 75 -5.886 6.041 -12.713 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.698 5.320 -12.130 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.894 4.675 -14.409 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.101 6.237 -14.424 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.902 5.121 -14.709 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.691 3.557 -14.687 1.00 0.00 H new ATOM 785 N THR A 76 -8.307 2.818 -12.016 1.00 0.00 N ATOM 786 CA THR A 76 -8.031 1.437 -11.642 1.00 0.00 C ATOM 787 C THR A 76 -9.316 0.619 -11.568 1.00 0.00 C ATOM 788 O THR A 76 -10.414 1.175 -11.517 1.00 0.00 O ATOM 789 CB THR A 76 -7.303 1.354 -10.287 1.00 0.00 C ATOM 790 OG1 THR A 76 -7.083 -0.015 -9.932 1.00 0.00 O ATOM 791 CG2 THR A 76 -8.110 2.044 -9.197 1.00 0.00 C ATOM 0 H THR A 76 -9.299 3.050 -12.073 1.00 0.00 H new ATOM 0 HA THR A 76 -7.385 1.024 -12.417 1.00 0.00 H new ATOM 0 HB THR A 76 -6.343 1.862 -10.383 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.618 -0.059 -9.070 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.577 1.973 -8.249 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.250 3.093 -9.457 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.083 1.561 -9.103 1.00 0.00 H new ATOM 799 N CYS A 77 -9.172 -0.701 -11.559 1.00 0.00 N ATOM 800 CA CYS A 77 -10.322 -1.595 -11.488 1.00 0.00 C ATOM 801 C CYS A 77 -10.327 -2.374 -10.176 1.00 0.00 C ATOM 802 O CYS A 77 -10.968 -3.418 -10.063 1.00 0.00 O ATOM 803 CB CYS A 77 -10.312 -2.566 -12.670 1.00 0.00 C ATOM 804 SG CYS A 77 -11.922 -3.351 -13.001 1.00 0.00 S ATOM 0 H CYS A 77 -8.270 -1.176 -11.600 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.226 -0.987 -11.532 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -9.990 -2.031 -13.563 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.572 -3.344 -12.481 1.00 0.00 H new ATOM 808 N ARG A 78 -9.604 -1.859 -9.186 1.00 0.00 N ATOM 809 CA ARG A 78 -9.524 -2.506 -7.882 1.00 0.00 C ATOM 810 C ARG A 78 -10.050 -1.586 -6.785 1.00 0.00 C ATOM 811 O ARG A 78 -9.463 -0.540 -6.503 1.00 0.00 O ATOM 812 CB ARG A 78 -8.079 -2.907 -7.577 1.00 0.00 C ATOM 813 CG ARG A 78 -7.372 -3.574 -8.745 1.00 0.00 C ATOM 814 CD ARG A 78 -8.077 -4.854 -9.165 1.00 0.00 C ATOM 815 NE ARG A 78 -8.275 -5.764 -8.040 1.00 0.00 N ATOM 816 CZ ARG A 78 -9.172 -6.744 -8.037 1.00 0.00 C ATOM 817 NH1 ARG A 78 -9.948 -6.941 -9.092 1.00 0.00 N ATOM 818 NH2 ARG A 78 -9.293 -7.531 -6.974 1.00 0.00 N ATOM 0 H ARG A 78 -9.066 -0.996 -9.263 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.145 -3.401 -7.909 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.519 -2.019 -7.283 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.072 -3.585 -6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.332 -2.885 -9.589 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.342 -3.799 -8.468 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.043 -4.608 -9.606 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.492 -5.354 -9.937 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.693 -5.640 -7.212 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.858 -6.339 -9.911 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.635 -7.694 -9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.697 -7.383 -6.159 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.982 -8.283 -6.972 1.00 0.00 H new ATOM 829 N TYR A 79 -11.160 -1.980 -6.171 1.00 0.00 N ATOM 830 CA TYR A 79 -11.767 -1.189 -5.107 1.00 0.00 C ATOM 831 C TYR A 79 -10.735 -0.823 -4.044 1.00 0.00 C ATOM 832 O TYR A 79 -9.682 -1.451 -3.941 1.00 0.00 O ATOM 833 CB TYR A 79 -12.924 -1.959 -4.467 1.00 0.00 C ATOM 834 CG TYR A 79 -13.930 -2.480 -5.467 1.00 0.00 C ATOM 835 CD1 TYR A 79 -14.872 -1.634 -6.040 1.00 0.00 C ATOM 836 CD2 TYR A 79 -13.939 -3.819 -5.841 1.00 0.00 C ATOM 837 CE1 TYR A 79 -15.794 -2.106 -6.953 1.00 0.00 C ATOM 838 CE2 TYR A 79 -14.857 -4.299 -6.755 1.00 0.00 C ATOM 839 CZ TYR A 79 -15.783 -3.439 -7.308 1.00 0.00 C ATOM 840 OH TYR A 79 -16.699 -3.913 -8.219 1.00 0.00 O ATOM 0 H TYR A 79 -11.658 -2.842 -6.392 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.151 -0.269 -5.547 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.521 -2.797 -3.899 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -13.434 -1.308 -3.757 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -14.883 -0.589 -5.766 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -13.216 -4.495 -5.410 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -16.520 -1.435 -7.387 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -14.850 -5.342 -7.035 1.00 0.00 H new ATOM 0 HH TYR A 79 -16.554 -4.872 -8.359 1.00 0.00 H new ATOM 849 N GLY A 80 -11.047 0.200 -3.253 1.00 0.00 N ATOM 850 CA GLY A 80 -10.140 0.632 -2.207 1.00 0.00 C ATOM 851 C GLY A 80 -10.868 1.088 -0.958 1.00 0.00 C ATOM 852 O GLY A 80 -12.097 1.158 -0.939 1.00 0.00 O ATOM 0 H GLY A 80 -11.912 0.737 -3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.467 -0.187 -1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.521 1.448 -2.581 1.00 0.00 H new ATOM 856 N PHE A 81 -10.110 1.398 0.089 1.00 0.00 N ATOM 857 CA PHE A 81 -10.692 1.847 1.348 1.00 0.00 C ATOM 858 C PHE A 81 -10.224 3.258 1.689 1.00 0.00 C ATOM 859 O PHE A 81 -9.026 3.516 1.808 1.00 0.00 O ATOM 860 CB PHE A 81 -10.316 0.886 2.478 1.00 0.00 C ATOM 861 CG PHE A 81 -10.563 -0.557 2.144 1.00 0.00 C ATOM 862 CD1 PHE A 81 -11.754 -0.952 1.556 1.00 0.00 C ATOM 863 CD2 PHE A 81 -9.605 -1.520 2.421 1.00 0.00 C ATOM 864 CE1 PHE A 81 -11.983 -2.279 1.246 1.00 0.00 C ATOM 865 CE2 PHE A 81 -9.830 -2.848 2.113 1.00 0.00 C ATOM 866 CZ PHE A 81 -11.021 -3.229 1.528 1.00 0.00 C ATOM 0 H PHE A 81 -9.091 1.346 0.090 1.00 0.00 H new ATOM 0 HA PHE A 81 -11.776 1.859 1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.262 1.019 2.722 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.885 1.147 3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -12.512 -0.214 1.338 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.673 -1.229 2.882 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -12.914 -2.573 0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.074 -3.588 2.330 1.00 0.00 H new ATOM 0 HZ PHE A 81 -11.200 -4.267 1.291 1.00 0.00 H new ATOM 875 N ILE A 82 -11.179 4.169 1.846 1.00 0.00 N ATOM 876 CA ILE A 82 -10.866 5.555 2.174 1.00 0.00 C ATOM 877 C ILE A 82 -10.983 5.804 3.674 1.00 0.00 C ATOM 878 O ILE A 82 -11.101 4.866 4.461 1.00 0.00 O ATOM 879 CB ILE A 82 -11.795 6.533 1.430 1.00 0.00 C ATOM 880 CG1 ILE A 82 -13.223 6.422 1.965 1.00 0.00 C ATOM 881 CG2 ILE A 82 -11.761 6.261 -0.067 1.00 0.00 C ATOM 882 CD1 ILE A 82 -14.199 7.353 1.282 1.00 0.00 C ATOM 0 H ILE A 82 -12.175 3.972 1.751 1.00 0.00 H new ATOM 0 HA ILE A 82 -9.838 5.730 1.857 1.00 0.00 H new ATOM 0 HB ILE A 82 -11.441 7.549 1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -13.568 5.395 1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -13.219 6.634 3.034 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.422 6.960 -0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.743 6.387 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.093 5.241 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -15.191 7.219 1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -13.878 8.385 1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -14.232 7.127 0.216 1.00 0.00 H new ATOM 893 N GLU A 83 -10.947 7.076 4.062 1.00 0.00 N ATOM 894 CA GLU A 83 -11.048 7.448 5.468 1.00 0.00 C ATOM 895 C GLU A 83 -12.166 6.669 6.157 1.00 0.00 C ATOM 896 O GLU A 83 -11.940 5.989 7.156 1.00 0.00 O ATOM 897 CB GLU A 83 -11.299 8.950 5.604 1.00 0.00 C ATOM 898 CG GLU A 83 -11.622 9.388 7.024 1.00 0.00 C ATOM 899 CD GLU A 83 -10.486 9.116 7.990 1.00 0.00 C ATOM 900 OE1 GLU A 83 -9.325 9.410 7.637 1.00 0.00 O ATOM 901 OE2 GLU A 83 -10.758 8.610 9.099 1.00 0.00 O ATOM 0 H GLU A 83 -10.849 7.865 3.423 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.104 7.200 5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.418 9.490 5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.123 9.233 4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.851 10.454 7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.517 8.868 7.366 1.00 0.00 H new ATOM 906 N GLY A 84 -13.375 6.777 5.614 1.00 0.00 N ATOM 907 CA GLY A 84 -14.511 6.080 6.189 1.00 0.00 C ATOM 908 C GLY A 84 -15.504 5.624 5.138 1.00 0.00 C ATOM 909 O GLY A 84 -16.680 5.987 5.185 1.00 0.00 O ATOM 0 H GLY A 84 -13.588 7.334 4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -14.157 5.215 6.749 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -15.014 6.736 6.900 1.00 0.00 H new ATOM 913 N HIS A 85 -15.031 4.826 4.186 1.00 0.00 N ATOM 914 CA HIS A 85 -15.886 4.320 3.118 1.00 0.00 C ATOM 915 C HIS A 85 -15.087 3.457 2.146 1.00 0.00 C ATOM 916 O HIS A 85 -13.902 3.201 2.357 1.00 0.00 O ATOM 917 CB HIS A 85 -16.542 5.479 2.369 1.00 0.00 C ATOM 918 CG HIS A 85 -18.037 5.476 2.450 1.00 0.00 C ATOM 919 ND1 HIS A 85 -18.789 6.628 2.547 1.00 0.00 N ATOM 920 CD2 HIS A 85 -18.922 4.451 2.446 1.00 0.00 C ATOM 921 CE1 HIS A 85 -20.071 6.311 2.601 1.00 0.00 C ATOM 922 NE2 HIS A 85 -20.178 4.996 2.542 1.00 0.00 N ATOM 0 H HIS A 85 -14.061 4.516 4.132 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.663 3.703 3.569 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -16.167 6.420 2.772 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -16.243 5.439 1.322 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -18.684 3.400 2.380 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -20.892 7.009 2.680 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -21.052 4.471 2.564 1.00 0.00 H new ATOM 929 N VAL A 86 -15.745 3.011 1.080 1.00 0.00 N ATOM 930 CA VAL A 86 -15.096 2.178 0.074 1.00 0.00 C ATOM 931 C VAL A 86 -15.533 2.572 -1.331 1.00 0.00 C ATOM 932 O VAL A 86 -16.699 2.417 -1.698 1.00 0.00 O ATOM 933 CB VAL A 86 -15.406 0.685 0.298 1.00 0.00 C ATOM 934 CG1 VAL A 86 -14.666 -0.171 -0.717 1.00 0.00 C ATOM 935 CG2 VAL A 86 -15.047 0.274 1.718 1.00 0.00 C ATOM 0 H VAL A 86 -16.727 3.213 0.891 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.022 2.338 0.174 1.00 0.00 H new ATOM 0 HB VAL A 86 -16.476 0.528 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -14.897 -1.222 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -14.977 0.108 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -13.593 -0.013 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -15.272 -0.783 1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.984 0.444 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -15.627 0.866 2.426 1.00 0.00 H new ATOM 945 N VAL A 87 -14.590 3.083 -2.117 1.00 0.00 N ATOM 946 CA VAL A 87 -14.877 3.499 -3.485 1.00 0.00 C ATOM 947 C VAL A 87 -13.668 3.286 -4.388 1.00 0.00 C ATOM 948 O VAL A 87 -12.673 2.687 -3.981 1.00 0.00 O ATOM 949 CB VAL A 87 -15.296 4.980 -3.545 1.00 0.00 C ATOM 950 CG1 VAL A 87 -16.430 5.255 -2.570 1.00 0.00 C ATOM 951 CG2 VAL A 87 -14.105 5.881 -3.258 1.00 0.00 C ATOM 0 H VAL A 87 -13.621 3.219 -1.830 1.00 0.00 H new ATOM 0 HA VAL A 87 -15.703 2.882 -3.838 1.00 0.00 H new ATOM 0 HB VAL A 87 -15.654 5.198 -4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -16.712 6.306 -2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -17.289 4.635 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -16.103 5.021 -1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -14.418 6.924 -3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.715 5.663 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -13.327 5.703 -4.000 1.00 0.00 H new ATOM 961 N ILE A 88 -13.761 3.782 -5.619 1.00 0.00 N ATOM 962 CA ILE A 88 -12.674 3.648 -6.580 1.00 0.00 C ATOM 963 C ILE A 88 -12.939 4.482 -7.829 1.00 0.00 C ATOM 964 O ILE A 88 -13.984 4.371 -8.469 1.00 0.00 O ATOM 965 CB ILE A 88 -12.465 2.178 -6.992 1.00 0.00 C ATOM 966 CG1 ILE A 88 -11.400 2.079 -8.085 1.00 0.00 C ATOM 967 CG2 ILE A 88 -13.777 1.569 -7.465 1.00 0.00 C ATOM 968 CD1 ILE A 88 -11.166 0.667 -8.576 1.00 0.00 C ATOM 0 H ILE A 88 -14.578 4.280 -5.973 1.00 0.00 H new ATOM 0 HA ILE A 88 -11.771 4.011 -6.089 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.120 1.618 -6.123 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.697 2.703 -8.928 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.462 2.483 -7.704 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.613 0.530 -7.753 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.509 1.611 -6.659 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -14.150 2.129 -8.323 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -10.398 0.673 -9.350 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.838 0.042 -7.745 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -12.093 0.267 -8.987 1.00 0.00 H new ATOM 979 N PRO A 89 -11.969 5.336 -8.187 1.00 0.00 N ATOM 980 CA PRO A 89 -12.073 6.203 -9.363 1.00 0.00 C ATOM 981 C PRO A 89 -12.000 5.420 -10.669 1.00 0.00 C ATOM 982 O PRO A 89 -11.167 4.527 -10.822 1.00 0.00 O ATOM 983 CB PRO A 89 -10.863 7.131 -9.228 1.00 0.00 C ATOM 984 CG PRO A 89 -9.881 6.359 -8.416 1.00 0.00 C ATOM 985 CD PRO A 89 -10.695 5.520 -7.469 1.00 0.00 C ATOM 0 HA PRO A 89 -13.028 6.727 -9.399 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.452 7.390 -10.204 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.134 8.066 -8.737 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.255 5.733 -9.052 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -9.214 7.027 -7.871 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -10.211 4.566 -7.259 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -10.841 6.021 -6.512 1.00 0.00 H new ATOM 990 N ARG A 90 -12.875 5.761 -11.608 1.00 0.00 N ATOM 991 CA ARG A 90 -12.910 5.089 -12.901 1.00 0.00 C ATOM 992 C ARG A 90 -13.232 6.077 -14.019 1.00 0.00 C ATOM 993 O ARG A 90 -14.379 6.493 -14.182 1.00 0.00 O ATOM 994 CB ARG A 90 -13.945 3.963 -12.888 1.00 0.00 C ATOM 995 CG ARG A 90 -13.343 2.586 -12.664 1.00 0.00 C ATOM 996 CD ARG A 90 -14.385 1.600 -12.156 1.00 0.00 C ATOM 997 NE ARG A 90 -13.781 0.342 -11.721 1.00 0.00 N ATOM 998 CZ ARG A 90 -14.369 -0.507 -10.888 1.00 0.00 C ATOM 999 NH1 ARG A 90 -15.572 -0.235 -10.400 1.00 0.00 N ATOM 1000 NH2 ARG A 90 -13.757 -1.631 -10.539 1.00 0.00 N ATOM 0 H ARG A 90 -13.570 6.499 -11.498 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.924 4.664 -13.087 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.677 4.162 -12.105 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -14.484 3.965 -13.836 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.916 2.218 -13.597 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.526 2.657 -11.946 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -14.932 2.046 -11.325 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.110 1.400 -12.945 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.856 0.103 -12.078 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -16.047 0.628 -10.665 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -16.022 -0.889 -9.760 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.832 -1.845 -10.911 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.212 -2.282 -9.898 1.00 0.00 H new ATOM 1011 N ILE A 91 -12.211 6.447 -14.786 1.00 0.00 N ATOM 1012 CA ILE A 91 -12.385 7.385 -15.889 1.00 0.00 C ATOM 1013 C ILE A 91 -12.889 6.674 -17.140 1.00 0.00 C ATOM 1014 O ILE A 91 -14.024 6.878 -17.569 1.00 0.00 O ATOM 1015 CB ILE A 91 -11.071 8.116 -16.220 1.00 0.00 C ATOM 1016 CG1 ILE A 91 -10.566 8.882 -14.995 1.00 0.00 C ATOM 1017 CG2 ILE A 91 -11.271 9.060 -17.396 1.00 0.00 C ATOM 1018 CD1 ILE A 91 -9.065 9.064 -14.973 1.00 0.00 C ATOM 0 H ILE A 91 -11.255 6.112 -14.664 1.00 0.00 H new ATOM 0 HA ILE A 91 -13.126 8.117 -15.567 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.321 7.376 -16.498 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -11.043 9.862 -14.967 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.873 8.352 -14.093 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -10.333 9.569 -17.617 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -11.590 8.491 -18.269 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.034 9.797 -17.145 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -8.778 9.615 -14.077 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.580 8.088 -14.969 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.753 9.621 -15.857 1.00 0.00 H new ATOM 1029 N HIS A 92 -12.034 5.839 -17.723 1.00 0.00 N ATOM 1030 CA HIS A 92 -12.392 5.093 -18.925 1.00 0.00 C ATOM 1031 C HIS A 92 -12.318 3.591 -18.676 1.00 0.00 C ATOM 1032 O HIS A 92 -11.488 2.882 -19.248 1.00 0.00 O ATOM 1033 CB HIS A 92 -11.468 5.477 -20.081 1.00 0.00 C ATOM 1034 CG HIS A 92 -12.050 5.193 -21.432 1.00 0.00 C ATOM 1035 ND1 HIS A 92 -11.277 4.945 -22.546 1.00 0.00 N ATOM 1036 CD2 HIS A 92 -13.337 5.118 -21.843 1.00 0.00 C ATOM 1037 CE1 HIS A 92 -12.065 4.731 -23.586 1.00 0.00 C ATOM 1038 NE2 HIS A 92 -13.320 4.829 -23.186 1.00 0.00 N ATOM 0 H HIS A 92 -11.089 5.662 -17.383 1.00 0.00 H new ATOM 0 HA HIS A 92 -13.418 5.348 -19.189 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.234 6.539 -20.011 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.527 4.936 -19.979 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -14.214 5.259 -21.229 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -11.738 4.513 -24.592 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -14.142 4.710 -23.778 1.00 0.00 H new ATOM 1045 N PRO A 93 -13.204 3.090 -17.803 1.00 0.00 N ATOM 1046 CA PRO A 93 -13.259 1.667 -17.457 1.00 0.00 C ATOM 1047 C PRO A 93 -13.766 0.810 -18.613 1.00 0.00 C ATOM 1048 O PRO A 93 -14.159 1.328 -19.656 1.00 0.00 O ATOM 1049 CB PRO A 93 -14.244 1.623 -16.287 1.00 0.00 C ATOM 1050 CG PRO A 93 -15.105 2.825 -16.470 1.00 0.00 C ATOM 1051 CD PRO A 93 -14.222 3.876 -17.084 1.00 0.00 C ATOM 0 HA PRO A 93 -12.274 1.268 -17.217 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -14.835 0.707 -16.301 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -13.723 1.651 -15.330 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.954 2.602 -17.116 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -15.510 3.164 -15.517 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.780 4.525 -17.759 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -13.773 4.517 -16.325 1.00 0.00 H new ATOM 1056 N ASN A 94 -13.755 -0.505 -18.417 1.00 0.00 N ATOM 1057 CA ASN A 94 -14.213 -1.433 -19.443 1.00 0.00 C ATOM 1058 C ASN A 94 -15.510 -2.118 -19.017 1.00 0.00 C ATOM 1059 O ASN A 94 -16.077 -1.802 -17.972 1.00 0.00 O ATOM 1060 CB ASN A 94 -13.139 -2.485 -19.728 1.00 0.00 C ATOM 1061 CG ASN A 94 -11.742 -1.893 -19.738 1.00 0.00 C ATOM 1062 OD1 ASN A 94 -11.489 -0.878 -20.387 1.00 0.00 O ATOM 1063 ND2 ASN A 94 -10.826 -2.529 -19.017 1.00 0.00 N ATOM 0 H ASN A 94 -13.434 -0.951 -17.558 1.00 0.00 H new ATOM 0 HA ASN A 94 -14.404 -0.863 -20.352 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -13.193 -3.270 -18.974 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -13.339 -2.954 -20.691 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.868 -2.179 -18.986 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -11.080 -3.367 -18.494 1.00 0.00 H new ATOM 1069 N SER A 95 -15.972 -3.059 -19.834 1.00 0.00 N ATOM 1070 CA SER A 95 -17.201 -3.787 -19.544 1.00 0.00 C ATOM 1071 C SER A 95 -16.972 -4.828 -18.453 1.00 0.00 C ATOM 1072 O SER A 95 -17.912 -5.474 -17.988 1.00 0.00 O ATOM 1073 CB SER A 95 -17.727 -4.467 -20.810 1.00 0.00 C ATOM 1074 OG SER A 95 -18.617 -5.522 -20.490 1.00 0.00 O ATOM 0 H SER A 95 -15.513 -3.335 -20.702 1.00 0.00 H new ATOM 0 HA SER A 95 -17.942 -3.071 -19.189 1.00 0.00 H new ATOM 0 HB2 SER A 95 -18.237 -3.734 -21.435 1.00 0.00 H new ATOM 0 HB3 SER A 95 -16.891 -4.856 -21.392 1.00 0.00 H new ATOM 0 HG SER A 95 -18.771 -5.538 -19.522 1.00 0.00 H new ATOM 1079 N ILE A 96 -15.717 -4.985 -18.047 1.00 0.00 N ATOM 1080 CA ILE A 96 -15.363 -5.944 -17.009 1.00 0.00 C ATOM 1081 C ILE A 96 -14.897 -5.237 -15.741 1.00 0.00 C ATOM 1082 O ILE A 96 -14.041 -5.743 -15.015 1.00 0.00 O ATOM 1083 CB ILE A 96 -14.257 -6.905 -17.484 1.00 0.00 C ATOM 1084 CG1 ILE A 96 -14.493 -7.310 -18.940 1.00 0.00 C ATOM 1085 CG2 ILE A 96 -14.201 -8.134 -16.589 1.00 0.00 C ATOM 1086 CD1 ILE A 96 -13.466 -8.286 -19.470 1.00 0.00 C ATOM 0 H ILE A 96 -14.927 -4.459 -18.422 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.263 -6.518 -16.791 1.00 0.00 H new ATOM 0 HB ILE A 96 -13.298 -6.390 -17.421 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -15.484 -7.754 -19.029 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.488 -6.416 -19.563 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -13.414 -8.803 -16.938 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -13.989 -7.829 -15.564 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -15.159 -8.652 -16.622 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -13.696 -8.529 -20.507 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -12.474 -7.837 -19.414 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.487 -9.197 -18.871 1.00 0.00 H new ATOM 1097 N CYS A 97 -15.468 -4.066 -15.480 1.00 0.00 N ATOM 1098 CA CYS A 97 -15.114 -3.289 -14.299 1.00 0.00 C ATOM 1099 C CYS A 97 -16.364 -2.774 -13.591 1.00 0.00 C ATOM 1100 O CYS A 97 -16.765 -1.625 -13.775 1.00 0.00 O ATOM 1101 CB CYS A 97 -14.213 -2.115 -14.686 1.00 0.00 C ATOM 1102 SG CYS A 97 -12.458 -2.559 -14.888 1.00 0.00 S ATOM 0 H CYS A 97 -16.178 -3.634 -16.071 1.00 0.00 H new ATOM 0 HA CYS A 97 -14.574 -3.942 -13.614 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -14.577 -1.684 -15.618 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -14.295 -1.341 -13.923 1.00 0.00 H new ATOM 1106 N ALA A 98 -16.975 -3.632 -12.782 1.00 0.00 N ATOM 1107 CA ALA A 98 -18.178 -3.264 -12.045 1.00 0.00 C ATOM 1108 C ALA A 98 -19.235 -2.679 -12.976 1.00 0.00 C ATOM 1109 O ALA A 98 -19.598 -1.509 -12.860 1.00 0.00 O ATOM 1110 CB ALA A 98 -17.838 -2.272 -10.941 1.00 0.00 C ATOM 0 H ALA A 98 -16.657 -4.587 -12.620 1.00 0.00 H new ATOM 0 HA ALA A 98 -18.588 -4.167 -11.594 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -18.745 -2.006 -10.399 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -17.124 -2.724 -10.253 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -17.401 -1.375 -11.380 1.00 0.00 H new ATOM 1116 N ALA A 99 -19.723 -3.500 -13.899 1.00 0.00 N ATOM 1117 CA ALA A 99 -20.740 -3.065 -14.850 1.00 0.00 C ATOM 1118 C ALA A 99 -20.336 -1.757 -15.523 1.00 0.00 C ATOM 1119 O ALA A 99 -21.115 -0.805 -15.568 1.00 0.00 O ATOM 1120 CB ALA A 99 -22.082 -2.909 -14.152 1.00 0.00 C ATOM 0 H ALA A 99 -19.431 -4.471 -14.009 1.00 0.00 H new ATOM 0 HA ALA A 99 -20.832 -3.828 -15.623 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -22.832 -2.584 -14.873 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -22.382 -3.865 -13.723 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -21.995 -2.166 -13.359 1.00 0.00 H new ATOM 1126 N ASN A 100 -19.114 -1.717 -16.043 1.00 0.00 N ATOM 1127 CA ASN A 100 -18.608 -0.524 -16.712 1.00 0.00 C ATOM 1128 C ASN A 100 -19.027 0.739 -15.966 1.00 0.00 C ATOM 1129 O ASN A 100 -19.546 1.680 -16.563 1.00 0.00 O ATOM 1130 CB ASN A 100 -19.115 -0.469 -18.155 1.00 0.00 C ATOM 1131 CG ASN A 100 -20.625 -0.575 -18.241 1.00 0.00 C ATOM 1132 OD1 ASN A 100 -21.113 -1.718 -18.708 1.00 0.00 O flip ATOM 1133 ND2 ASN A 100 -21.344 0.361 -17.891 1.00 0.00 N flip ATOM 0 H ASN A 100 -18.456 -2.496 -16.014 1.00 0.00 H new ATOM 0 HA ASN A 100 -17.519 -0.576 -16.718 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.792 0.465 -18.615 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -18.663 -1.279 -18.727 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -20.925 1.221 -17.538 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -22.358 0.276 -17.954 1.00 0.00 H new ATOM 1139 N ASN A 101 -18.797 0.750 -14.657 1.00 0.00 N ATOM 1140 CA ASN A 101 -19.151 1.896 -13.829 1.00 0.00 C ATOM 1141 C ASN A 101 -18.460 3.162 -14.328 1.00 0.00 C ATOM 1142 O ASN A 101 -17.754 3.141 -15.336 1.00 0.00 O ATOM 1143 CB ASN A 101 -18.769 1.636 -12.369 1.00 0.00 C ATOM 1144 CG ASN A 101 -19.934 1.114 -11.552 1.00 0.00 C ATOM 1145 OD1 ASN A 101 -19.815 0.110 -10.849 1.00 0.00 O ATOM 1146 ND2 ASN A 101 -21.071 1.797 -11.639 1.00 0.00 N ATOM 0 H ASN A 101 -18.367 -0.022 -14.147 1.00 0.00 H new ATOM 0 HA ASN A 101 -20.229 2.040 -13.896 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -17.952 0.916 -12.333 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -18.400 2.560 -11.923 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -21.889 1.494 -11.111 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -21.125 2.624 -12.234 1.00 0.00 H new ATOM 1152 N THR A 102 -18.669 4.264 -13.615 1.00 0.00 N ATOM 1153 CA THR A 102 -18.068 5.540 -13.986 1.00 0.00 C ATOM 1154 C THR A 102 -17.734 6.368 -12.750 1.00 0.00 C ATOM 1155 O THR A 102 -18.247 6.114 -11.662 1.00 0.00 O ATOM 1156 CB THR A 102 -19.001 6.355 -14.900 1.00 0.00 C ATOM 1157 OG1 THR A 102 -20.348 6.278 -14.422 1.00 0.00 O ATOM 1158 CG2 THR A 102 -18.936 5.845 -16.332 1.00 0.00 C ATOM 0 H THR A 102 -19.250 4.299 -12.777 1.00 0.00 H new ATOM 0 HA THR A 102 -17.150 5.313 -14.528 1.00 0.00 H new ATOM 0 HB THR A 102 -18.670 7.394 -14.885 1.00 0.00 H new ATOM 0 HG1 THR A 102 -20.934 6.801 -15.009 1.00 0.00 H new ATOM 0 HG21 THR A 102 -19.603 6.436 -16.959 1.00 0.00 H new ATOM 0 HG22 THR A 102 -17.915 5.934 -16.704 1.00 0.00 H new ATOM 0 HG23 THR A 102 -19.243 4.799 -16.360 1.00 0.00 H new ATOM 1166 N GLY A 103 -16.870 7.365 -12.928 1.00 0.00 N ATOM 1167 CA GLY A 103 -16.483 8.217 -11.819 1.00 0.00 C ATOM 1168 C GLY A 103 -15.987 7.425 -10.625 1.00 0.00 C ATOM 1169 O GLY A 103 -15.427 6.340 -10.780 1.00 0.00 O ATOM 0 H GLY A 103 -16.432 7.597 -13.820 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.701 8.902 -12.147 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -17.335 8.826 -11.518 1.00 0.00 H new ATOM 1173 N VAL A 104 -16.193 7.969 -9.429 1.00 0.00 N ATOM 1174 CA VAL A 104 -15.761 7.306 -8.204 1.00 0.00 C ATOM 1175 C VAL A 104 -16.804 6.303 -7.726 1.00 0.00 C ATOM 1176 O VAL A 104 -17.550 6.569 -6.784 1.00 0.00 O ATOM 1177 CB VAL A 104 -15.492 8.326 -7.080 1.00 0.00 C ATOM 1178 CG1 VAL A 104 -15.025 7.618 -5.818 1.00 0.00 C ATOM 1179 CG2 VAL A 104 -14.471 9.360 -7.532 1.00 0.00 C ATOM 0 H VAL A 104 -16.656 8.866 -9.283 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.835 6.780 -8.437 1.00 0.00 H new ATOM 0 HB VAL A 104 -16.423 8.845 -6.853 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -14.840 8.354 -5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -15.794 6.921 -5.486 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.105 7.071 -6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -14.293 10.072 -6.726 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -13.536 8.861 -7.788 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.851 9.889 -8.406 1.00 0.00 H new ATOM 1189 N TYR A 105 -16.848 5.148 -8.382 1.00 0.00 N ATOM 1190 CA TYR A 105 -17.802 4.104 -8.025 1.00 0.00 C ATOM 1191 C TYR A 105 -17.640 3.695 -6.564 1.00 0.00 C ATOM 1192 O TYR A 105 -16.531 3.687 -6.029 1.00 0.00 O ATOM 1193 CB TYR A 105 -17.616 2.884 -8.930 1.00 0.00 C ATOM 1194 CG TYR A 105 -18.543 1.737 -8.599 1.00 0.00 C ATOM 1195 CD1 TYR A 105 -19.918 1.928 -8.534 1.00 0.00 C ATOM 1196 CD2 TYR A 105 -18.045 0.464 -8.351 1.00 0.00 C ATOM 1197 CE1 TYR A 105 -20.770 0.883 -8.230 1.00 0.00 C ATOM 1198 CE2 TYR A 105 -18.889 -0.587 -8.049 1.00 0.00 C ATOM 1199 CZ TYR A 105 -20.251 -0.372 -7.989 1.00 0.00 C ATOM 1200 OH TYR A 105 -21.095 -1.416 -7.687 1.00 0.00 O ATOM 0 H TYR A 105 -16.235 4.911 -9.162 1.00 0.00 H new ATOM 0 HA TYR A 105 -18.807 4.502 -8.163 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -17.777 3.183 -9.966 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -16.585 2.540 -8.854 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -20.328 2.909 -8.724 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -16.980 0.293 -8.395 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -21.836 1.048 -8.181 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -18.486 -1.571 -7.861 1.00 0.00 H new ATOM 0 HH TYR A 105 -20.613 -2.264 -7.781 1.00 0.00 H new ATOM 1209 N ILE A 106 -18.754 3.357 -5.926 1.00 0.00 N ATOM 1210 CA ILE A 106 -18.738 2.945 -4.527 1.00 0.00 C ATOM 1211 C ILE A 106 -19.131 1.479 -4.381 1.00 0.00 C ATOM 1212 O ILE A 106 -19.632 0.861 -5.322 1.00 0.00 O ATOM 1213 CB ILE A 106 -19.690 3.806 -3.675 1.00 0.00 C ATOM 1214 CG1 ILE A 106 -21.145 3.533 -4.063 1.00 0.00 C ATOM 1215 CG2 ILE A 106 -19.359 5.283 -3.842 1.00 0.00 C ATOM 1216 CD1 ILE A 106 -22.144 4.346 -3.268 1.00 0.00 C ATOM 0 H ILE A 106 -19.680 3.360 -6.354 1.00 0.00 H new ATOM 0 HA ILE A 106 -17.718 3.083 -4.170 1.00 0.00 H new ATOM 0 HB ILE A 106 -19.558 3.540 -2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -21.276 3.747 -5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -21.357 2.473 -3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -20.040 5.879 -3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -18.333 5.464 -3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -19.467 5.564 -4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -23.155 4.102 -3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -22.040 4.114 -2.208 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -21.958 5.408 -3.427 1.00 0.00 H new ATOM 1227 N LEU A 107 -18.901 0.927 -3.194 1.00 0.00 N ATOM 1228 CA LEU A 107 -19.233 -0.469 -2.923 1.00 0.00 C ATOM 1229 C LEU A 107 -18.948 -0.822 -1.467 1.00 0.00 C ATOM 1230 O LEU A 107 -17.792 -0.898 -1.049 1.00 0.00 O ATOM 1231 CB LEU A 107 -18.437 -1.391 -3.849 1.00 0.00 C ATOM 1232 CG LEU A 107 -19.144 -2.677 -4.281 1.00 0.00 C ATOM 1233 CD1 LEU A 107 -19.420 -3.565 -3.079 1.00 0.00 C ATOM 1234 CD2 LEU A 107 -20.436 -2.355 -5.018 1.00 0.00 C ATOM 0 H LEU A 107 -18.487 1.423 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 107 -20.298 -0.608 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -18.167 -0.830 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -17.507 -1.661 -3.349 1.00 0.00 H new ATOM 0 HG LEU A 107 -18.487 -3.218 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -19.923 -4.475 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.479 -3.825 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -20.056 -3.033 -2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -20.925 -3.282 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -21.099 -1.791 -4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -20.211 -1.761 -5.904 1.00 0.00 H new ATOM 1306 N GLN A 113 -10.266 -8.467 1.298 1.00 0.00 N ATOM 1307 CA GLN A 113 -8.905 -7.946 1.325 1.00 0.00 C ATOM 1308 C GLN A 113 -8.320 -7.876 -0.082 1.00 0.00 C ATOM 1309 O GLN A 113 -8.077 -8.902 -0.716 1.00 0.00 O ATOM 1310 CB GLN A 113 -8.018 -8.822 2.215 1.00 0.00 C ATOM 1311 CG GLN A 113 -8.667 -9.198 3.537 1.00 0.00 C ATOM 1312 CD GLN A 113 -9.420 -10.512 3.465 1.00 0.00 C ATOM 1313 OE1 GLN A 113 -10.651 -10.535 3.441 1.00 0.00 O ATOM 1314 NE2 GLN A 113 -8.682 -11.616 3.429 1.00 0.00 N ATOM 0 HA GLN A 113 -8.938 -6.937 1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -7.761 -9.733 1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.085 -8.295 2.415 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -7.899 -9.265 4.308 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.353 -8.407 3.839 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -7.664 -11.550 3.451 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -9.133 -12.530 3.379 1.00 0.00 H new ATOM 1321 N TYR A 114 -8.097 -6.658 -0.562 1.00 0.00 N ATOM 1322 CA TYR A 114 -7.543 -6.452 -1.895 1.00 0.00 C ATOM 1323 C TYR A 114 -6.453 -5.386 -1.874 1.00 0.00 C ATOM 1324 O TYR A 114 -5.263 -5.697 -1.946 1.00 0.00 O ATOM 1325 CB TYR A 114 -8.648 -6.048 -2.872 1.00 0.00 C ATOM 1326 CG TYR A 114 -9.700 -7.116 -3.072 1.00 0.00 C ATOM 1327 CD1 TYR A 114 -9.342 -8.442 -3.283 1.00 0.00 C ATOM 1328 CD2 TYR A 114 -11.054 -6.799 -3.050 1.00 0.00 C ATOM 1329 CE1 TYR A 114 -10.299 -9.421 -3.465 1.00 0.00 C ATOM 1330 CE2 TYR A 114 -12.017 -7.771 -3.231 1.00 0.00 C ATOM 1331 CZ TYR A 114 -11.636 -9.080 -3.439 1.00 0.00 C ATOM 1332 OH TYR A 114 -12.593 -10.052 -3.620 1.00 0.00 O ATOM 0 H TYR A 114 -8.291 -5.798 -0.048 1.00 0.00 H new ATOM 0 HA TYR A 114 -7.100 -7.392 -2.225 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -9.129 -5.140 -2.508 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.199 -5.807 -3.836 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -8.296 -8.712 -3.305 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -11.357 -5.775 -2.889 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.003 -10.447 -3.627 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -13.064 -7.508 -3.210 1.00 0.00 H new ATOM 0 HH TYR A 114 -13.484 -9.647 -3.572 1.00 0.00 H new ATOM 1341 N ASP A 115 -6.867 -4.128 -1.777 1.00 0.00 N ATOM 1342 CA ASP A 115 -5.927 -3.014 -1.744 1.00 0.00 C ATOM 1343 C ASP A 115 -6.438 -1.897 -0.840 1.00 0.00 C ATOM 1344 O ASP A 115 -7.469 -2.039 -0.182 1.00 0.00 O ATOM 1345 CB ASP A 115 -5.693 -2.475 -3.158 1.00 0.00 C ATOM 1346 CG ASP A 115 -4.998 -3.481 -4.053 1.00 0.00 C ATOM 1347 OD1 ASP A 115 -3.901 -3.948 -3.679 1.00 0.00 O ATOM 1348 OD2 ASP A 115 -5.548 -3.800 -5.128 1.00 0.00 O ATOM 0 H ASP A 115 -7.848 -3.854 -1.720 1.00 0.00 H new ATOM 0 HA ASP A 115 -4.983 -3.380 -1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.650 -2.199 -3.601 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.093 -1.567 -3.103 1.00 0.00 H new ATOM 1352 N THR A 116 -5.708 -0.785 -0.808 1.00 0.00 N ATOM 1353 CA THR A 116 -6.087 0.354 0.017 1.00 0.00 C ATOM 1354 C THR A 116 -5.397 1.629 -0.457 1.00 0.00 C ATOM 1355 O THR A 116 -4.225 1.609 -0.834 1.00 0.00 O ATOM 1356 CB THR A 116 -5.736 0.115 1.498 1.00 0.00 C ATOM 1357 OG1 THR A 116 -6.166 1.229 2.289 1.00 0.00 O ATOM 1358 CG2 THR A 116 -4.240 -0.092 1.674 1.00 0.00 C ATOM 0 H THR A 116 -4.851 -0.650 -1.345 1.00 0.00 H new ATOM 0 HA THR A 116 -7.166 0.470 -0.080 1.00 0.00 H new ATOM 0 HB THR A 116 -6.252 -0.786 1.830 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.393 1.628 2.740 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.017 -0.259 2.728 1.00 0.00 H new ATOM 0 HG22 THR A 116 -3.922 -0.959 1.094 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.707 0.793 1.326 1.00 0.00 H new ATOM 1366 N TYR A 117 -6.132 2.735 -0.434 1.00 0.00 N ATOM 1367 CA TYR A 117 -5.592 4.020 -0.863 1.00 0.00 C ATOM 1368 C TYR A 117 -5.105 4.834 0.333 1.00 0.00 C ATOM 1369 O TYR A 117 -5.653 4.734 1.430 1.00 0.00 O ATOM 1370 CB TYR A 117 -6.650 4.810 -1.635 1.00 0.00 C ATOM 1371 CG TYR A 117 -7.152 4.102 -2.873 1.00 0.00 C ATOM 1372 CD1 TYR A 117 -6.264 3.547 -3.788 1.00 0.00 C ATOM 1373 CD2 TYR A 117 -8.511 3.987 -3.130 1.00 0.00 C ATOM 1374 CE1 TYR A 117 -6.717 2.899 -4.920 1.00 0.00 C ATOM 1375 CE2 TYR A 117 -8.974 3.341 -4.259 1.00 0.00 C ATOM 1376 CZ TYR A 117 -8.073 2.798 -5.151 1.00 0.00 C ATOM 1377 OH TYR A 117 -8.530 2.154 -6.278 1.00 0.00 O ATOM 0 H TYR A 117 -7.103 2.768 -0.123 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.742 3.827 -1.518 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.494 5.012 -0.975 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -6.232 5.775 -1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -5.202 3.624 -3.610 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -9.220 4.411 -2.434 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -6.014 2.474 -5.620 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -10.035 3.261 -4.443 1.00 0.00 H new ATOM 0 HH TYR A 117 -8.781 1.234 -6.050 1.00 0.00 H new ATOM 1386 N CYS A 118 -4.071 5.639 0.111 1.00 0.00 N ATOM 1387 CA CYS A 118 -3.510 6.470 1.167 1.00 0.00 C ATOM 1388 C CYS A 118 -3.107 7.840 0.625 1.00 0.00 C ATOM 1389 O CYS A 118 -2.626 7.957 -0.502 1.00 0.00 O ATOM 1390 CB CYS A 118 -2.296 5.783 1.795 1.00 0.00 C ATOM 1391 SG CYS A 118 -2.688 4.229 2.660 1.00 0.00 S ATOM 0 H CYS A 118 -3.605 5.733 -0.792 1.00 0.00 H new ATOM 0 HA CYS A 118 -4.276 6.610 1.930 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -1.564 5.577 1.014 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -1.827 6.470 2.499 1.00 0.00 H new ATOM 1395 N PHE A 119 -3.309 8.873 1.437 1.00 0.00 N ATOM 1396 CA PHE A 119 -2.969 10.235 1.040 1.00 0.00 C ATOM 1397 C PHE A 119 -1.823 10.778 1.887 1.00 0.00 C ATOM 1398 O PHE A 119 -1.777 10.562 3.098 1.00 0.00 O ATOM 1399 CB PHE A 119 -4.191 11.147 1.169 1.00 0.00 C ATOM 1400 CG PHE A 119 -3.866 12.607 1.034 1.00 0.00 C ATOM 1401 CD1 PHE A 119 -3.369 13.112 -0.156 1.00 0.00 C ATOM 1402 CD2 PHE A 119 -4.058 13.474 2.096 1.00 0.00 C ATOM 1403 CE1 PHE A 119 -3.068 14.455 -0.285 1.00 0.00 C ATOM 1404 CE2 PHE A 119 -3.760 14.819 1.974 1.00 0.00 C ATOM 1405 CZ PHE A 119 -3.264 15.309 0.783 1.00 0.00 C ATOM 0 H PHE A 119 -3.706 8.793 2.373 1.00 0.00 H new ATOM 0 HA PHE A 119 -2.649 10.214 -0.002 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -4.921 10.873 0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.662 10.976 2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.215 12.448 -0.994 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.445 13.096 3.031 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.681 14.836 -1.218 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.915 15.485 2.810 1.00 0.00 H new ATOM 0 HZ PHE A 119 -3.029 16.359 0.686 1.00 0.00 H new ATOM 1414 N ASN A 120 -0.900 11.483 1.242 1.00 0.00 N ATOM 1415 CA ASN A 120 0.247 12.057 1.936 1.00 0.00 C ATOM 1416 C ASN A 120 0.306 13.569 1.732 1.00 0.00 C ATOM 1417 O ASN A 120 0.318 14.053 0.601 1.00 0.00 O ATOM 1418 CB ASN A 120 1.544 11.413 1.440 1.00 0.00 C ATOM 1419 CG ASN A 120 2.768 11.961 2.147 1.00 0.00 C ATOM 1420 OD1 ASN A 120 3.774 12.281 1.514 1.00 0.00 O ATOM 1421 ND2 ASN A 120 2.688 12.070 3.469 1.00 0.00 N ATOM 0 H ASN A 120 -0.924 11.671 0.240 1.00 0.00 H new ATOM 0 HA ASN A 120 0.133 11.856 3.001 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.492 10.335 1.592 1.00 0.00 H new ATOM 0 HB3 ASN A 120 1.642 11.580 0.367 1.00 0.00 H new ATOM 0 HD21 ASN A 120 3.481 12.431 4.000 1.00 0.00 H new ATOM 0 HD22 ASN A 120 1.834 11.793 3.953 1.00 0.00 H new ATOM 1427 N ALA A 121 0.343 14.307 2.837 1.00 0.00 N ATOM 1428 CA ALA A 121 0.403 15.763 2.780 1.00 0.00 C ATOM 1429 C ALA A 121 1.846 16.253 2.815 1.00 0.00 C ATOM 1430 O ALA A 121 2.170 17.211 3.517 1.00 0.00 O ATOM 1431 CB ALA A 121 -0.390 16.369 3.928 1.00 0.00 C ATOM 0 H ALA A 121 0.333 13.921 3.781 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.040 16.084 1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.337 17.456 3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.431 16.053 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 121 0.028 16.033 4.877 1.00 0.00 H new ATOM 1437 N SER A 122 2.711 15.592 2.053 1.00 0.00 N ATOM 1438 CA SER A 122 4.121 15.958 2.000 1.00 0.00 C ATOM 1439 C SER A 122 4.505 16.440 0.603 1.00 0.00 C ATOM 1440 O SER A 122 4.835 17.608 0.406 1.00 0.00 O ATOM 1441 CB SER A 122 4.995 14.769 2.400 1.00 0.00 C ATOM 1442 OG SER A 122 6.235 15.201 2.930 1.00 0.00 O ATOM 0 H SER A 122 2.459 14.799 1.463 1.00 0.00 H new ATOM 0 HA SER A 122 4.286 16.773 2.705 1.00 0.00 H new ATOM 0 HB2 SER A 122 4.472 14.162 3.139 1.00 0.00 H new ATOM 0 HB3 SER A 122 5.169 14.134 1.532 1.00 0.00 H new ATOM 0 HG SER A 122 6.829 15.467 2.197 1.00 0.00 H new ATOM 1447 N ALA A 123 4.460 15.527 -0.362 1.00 0.00 N ATOM 1448 CA ALA A 123 4.802 15.858 -1.741 1.00 0.00 C ATOM 1449 C ALA A 123 3.960 17.024 -2.250 1.00 0.00 C ATOM 1450 O ALA A 123 2.899 17.339 -1.710 1.00 0.00 O ATOM 1451 CB ALA A 123 4.618 14.640 -2.636 1.00 0.00 C ATOM 0 H ALA A 123 4.191 14.554 -0.215 1.00 0.00 H new ATOM 0 HA ALA A 123 5.849 16.161 -1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 123 4.876 14.900 -3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 123 5.266 13.834 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.579 14.312 -2.595 1.00 0.00 H new ATOM 1457 N PRO A 124 4.443 17.681 -3.316 1.00 0.00 N ATOM 1458 CA PRO A 124 3.751 18.823 -3.922 1.00 0.00 C ATOM 1459 C PRO A 124 2.467 18.410 -4.633 1.00 0.00 C ATOM 1460 O PRO A 124 2.214 17.230 -4.875 1.00 0.00 O ATOM 1461 CB PRO A 124 4.769 19.363 -4.926 1.00 0.00 C ATOM 1462 CG PRO A 124 5.630 18.193 -5.261 1.00 0.00 C ATOM 1463 CD PRO A 124 5.701 17.360 -4.011 1.00 0.00 C ATOM 0 HA PRO A 124 3.440 19.555 -3.176 1.00 0.00 H new ATOM 0 HB2 PRO A 124 4.277 19.759 -5.814 1.00 0.00 H new ATOM 0 HB3 PRO A 124 5.355 20.176 -4.497 1.00 0.00 H new ATOM 0 HG2 PRO A 124 5.208 17.621 -6.087 1.00 0.00 H new ATOM 0 HG3 PRO A 124 6.624 18.516 -5.572 1.00 0.00 H new ATOM 0 HD2 PRO A 124 5.774 16.297 -4.240 1.00 0.00 H new ATOM 0 HD3 PRO A 124 6.571 17.616 -3.406 1.00 0.00 H new ATOM 1468 N PRO A 125 1.636 19.404 -4.979 1.00 0.00 N ATOM 1469 CA PRO A 125 0.364 19.170 -5.670 1.00 0.00 C ATOM 1470 C PRO A 125 0.564 18.705 -7.109 1.00 0.00 C ATOM 1471 O PRO A 125 0.413 19.486 -8.049 1.00 0.00 O ATOM 1472 CB PRO A 125 -0.315 20.541 -5.641 1.00 0.00 C ATOM 1473 CG PRO A 125 0.807 21.517 -5.534 1.00 0.00 C ATOM 1474 CD PRO A 125 1.873 20.836 -4.722 1.00 0.00 C ATOM 0 HA PRO A 125 -0.219 18.381 -5.194 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -0.903 20.711 -6.543 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -0.997 20.627 -4.795 1.00 0.00 H new ATOM 0 HG2 PRO A 125 1.182 21.790 -6.520 1.00 0.00 H new ATOM 0 HG3 PRO A 125 0.478 22.438 -5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 125 2.872 21.140 -5.034 1.00 0.00 H new ATOM 0 HD3 PRO A 125 1.784 21.074 -3.662 1.00 0.00 H new ATOM 1479 N GLU A 126 0.904 17.430 -7.273 1.00 0.00 N ATOM 1480 CA GLU A 126 1.123 16.863 -8.598 1.00 0.00 C ATOM 1481 C GLU A 126 1.272 15.347 -8.523 1.00 0.00 C ATOM 1482 O GLU A 126 1.136 14.752 -7.454 1.00 0.00 O ATOM 1483 CB GLU A 126 2.370 17.478 -9.239 1.00 0.00 C ATOM 1484 CG GLU A 126 3.569 17.532 -8.308 1.00 0.00 C ATOM 1485 CD GLU A 126 4.792 18.143 -8.965 1.00 0.00 C ATOM 1486 OE1 GLU A 126 4.750 18.381 -10.190 1.00 0.00 O ATOM 1487 OE2 GLU A 126 5.788 18.385 -8.252 1.00 0.00 O ATOM 0 H GLU A 126 1.034 16.771 -6.505 1.00 0.00 H new ATOM 0 HA GLU A 126 0.254 17.095 -9.213 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.635 16.901 -10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.135 18.488 -9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 126 3.310 18.111 -7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 126 3.808 16.523 -7.971 1.00 0.00 H new ATOM 1492 N GLU A 127 1.549 14.728 -9.667 1.00 0.00 N ATOM 1493 CA GLU A 127 1.713 13.280 -9.731 1.00 0.00 C ATOM 1494 C GLU A 127 3.179 12.891 -9.558 1.00 0.00 C ATOM 1495 O GLU A 127 3.817 12.405 -10.491 1.00 0.00 O ATOM 1496 CB GLU A 127 1.185 12.743 -11.063 1.00 0.00 C ATOM 1497 CG GLU A 127 1.772 13.443 -12.277 1.00 0.00 C ATOM 1498 CD GLU A 127 1.792 12.559 -13.508 1.00 0.00 C ATOM 1499 OE1 GLU A 127 0.766 11.898 -13.779 1.00 0.00 O ATOM 1500 OE2 GLU A 127 2.832 12.524 -14.199 1.00 0.00 O ATOM 0 H GLU A 127 1.664 15.206 -10.561 1.00 0.00 H new ATOM 0 HA GLU A 127 1.139 12.838 -8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.404 11.677 -11.128 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.100 12.848 -11.083 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.192 14.341 -12.489 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.788 13.766 -12.050 1.00 0.00 H new ATOM 1505 N ASP A 128 3.705 13.109 -8.358 1.00 0.00 N ATOM 1506 CA ASP A 128 5.093 12.781 -8.060 1.00 0.00 C ATOM 1507 C ASP A 128 5.300 11.271 -8.027 1.00 0.00 C ATOM 1508 O ASP A 128 4.579 10.549 -7.336 1.00 0.00 O ATOM 1509 CB ASP A 128 5.510 13.394 -6.723 1.00 0.00 C ATOM 1510 CG ASP A 128 6.149 14.760 -6.887 1.00 0.00 C ATOM 1511 OD1 ASP A 128 5.926 15.397 -7.937 1.00 0.00 O ATOM 1512 OD2 ASP A 128 6.875 15.190 -5.966 1.00 0.00 O ATOM 0 H ASP A 128 3.190 13.512 -7.575 1.00 0.00 H new ATOM 0 HA ASP A 128 5.716 13.198 -8.852 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.636 13.480 -6.078 1.00 0.00 H new ATOM 0 HB3 ASP A 128 6.211 12.726 -6.223 1.00 0.00 H new ATOM 1516 N CYS A 129 6.288 10.796 -8.778 1.00 0.00 N ATOM 1517 CA CYS A 129 6.589 9.371 -8.836 1.00 0.00 C ATOM 1518 C CYS A 129 7.766 9.026 -7.927 1.00 0.00 C ATOM 1519 O CYS A 129 8.382 7.969 -8.063 1.00 0.00 O ATOM 1520 CB CYS A 129 6.903 8.952 -10.274 1.00 0.00 C ATOM 1521 SG CYS A 129 5.459 8.973 -11.385 1.00 0.00 S ATOM 0 H CYS A 129 6.894 11.378 -9.356 1.00 0.00 H new ATOM 0 HA CYS A 129 5.711 8.826 -8.489 1.00 0.00 H new ATOM 0 HB2 CYS A 129 7.668 9.617 -10.676 1.00 0.00 H new ATOM 0 HB3 CYS A 129 7.327 7.948 -10.265 1.00 0.00 H new ATOM 1525 N THR A 130 8.073 9.926 -6.997 1.00 0.00 N ATOM 1526 CA THR A 130 9.175 9.718 -6.067 1.00 0.00 C ATOM 1527 C THR A 130 9.017 10.590 -4.826 1.00 0.00 C ATOM 1528 O THR A 130 8.263 11.563 -4.829 1.00 0.00 O ATOM 1529 CB THR A 130 10.532 10.024 -6.727 1.00 0.00 C ATOM 1530 OG1 THR A 130 10.387 11.086 -7.675 1.00 0.00 O ATOM 1531 CG2 THR A 130 11.087 8.789 -7.420 1.00 0.00 C ATOM 0 H THR A 130 7.573 10.806 -6.869 1.00 0.00 H new ATOM 0 HA THR A 130 9.150 8.668 -5.776 1.00 0.00 H new ATOM 0 HB THR A 130 11.231 10.328 -5.947 1.00 0.00 H new ATOM 0 HG1 THR A 130 11.255 11.276 -8.089 1.00 0.00 H new ATOM 0 HG21 THR A 130 12.046 9.029 -7.879 1.00 0.00 H new ATOM 0 HG22 THR A 130 11.224 7.992 -6.689 1.00 0.00 H new ATOM 0 HG23 THR A 130 10.389 8.459 -8.190 1.00 0.00 H new ATOM 1539 N SER A 131 9.734 10.235 -3.764 1.00 0.00 N ATOM 1540 CA SER A 131 9.671 10.983 -2.514 1.00 0.00 C ATOM 1541 C SER A 131 10.616 10.386 -1.475 1.00 0.00 C ATOM 1542 O SER A 131 10.916 9.192 -1.506 1.00 0.00 O ATOM 1543 CB SER A 131 8.241 10.995 -1.973 1.00 0.00 C ATOM 1544 OG SER A 131 8.232 10.995 -0.556 1.00 0.00 O ATOM 0 H SER A 131 10.365 9.434 -3.745 1.00 0.00 H new ATOM 0 HA SER A 131 9.983 12.008 -2.717 1.00 0.00 H new ATOM 0 HB2 SER A 131 7.716 11.876 -2.343 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.701 10.123 -2.343 1.00 0.00 H new ATOM 0 HG SER A 131 7.528 11.596 -0.233 1.00 0.00 H new ATOM 1549 N VAL A 132 11.082 11.225 -0.556 1.00 0.00 N ATOM 1550 CA VAL A 132 11.991 10.781 0.494 1.00 0.00 C ATOM 1551 C VAL A 132 11.370 10.970 1.874 1.00 0.00 C ATOM 1552 O VAL A 132 12.044 11.382 2.819 1.00 0.00 O ATOM 1553 CB VAL A 132 13.328 11.541 0.436 1.00 0.00 C ATOM 1554 CG1 VAL A 132 14.019 11.308 -0.900 1.00 0.00 C ATOM 1555 CG2 VAL A 132 13.108 13.027 0.679 1.00 0.00 C ATOM 0 H VAL A 132 10.845 12.216 -0.517 1.00 0.00 H new ATOM 0 HA VAL A 132 12.177 9.720 0.325 1.00 0.00 H new ATOM 0 HB VAL A 132 13.976 11.159 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 132 14.962 11.854 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 132 14.213 10.243 -1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 132 13.378 11.660 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 132 14.064 13.548 0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 132 12.441 13.426 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 132 12.661 13.173 1.662 1.00 0.00 H new ATOM 1565 N THR A 133 10.081 10.665 1.984 1.00 0.00 N ATOM 1566 CA THR A 133 9.368 10.802 3.249 1.00 0.00 C ATOM 1567 C THR A 133 9.074 9.438 3.864 1.00 0.00 C ATOM 1568 O THR A 133 7.933 8.977 3.855 1.00 0.00 O ATOM 1569 CB THR A 133 8.044 11.567 3.068 1.00 0.00 C ATOM 1570 OG1 THR A 133 7.174 10.840 2.194 1.00 0.00 O ATOM 1571 CG2 THR A 133 8.296 12.956 2.500 1.00 0.00 C ATOM 0 H THR A 133 9.509 10.321 1.213 1.00 0.00 H new ATOM 0 HA THR A 133 10.017 11.368 3.918 1.00 0.00 H new ATOM 0 HB THR A 133 7.573 11.671 4.045 1.00 0.00 H new ATOM 0 HG1 THR A 133 7.147 9.899 2.468 1.00 0.00 H new ATOM 0 HG21 THR A 133 7.347 13.478 2.381 1.00 0.00 H new ATOM 0 HG22 THR A 133 8.936 13.517 3.181 1.00 0.00 H new ATOM 0 HG23 THR A 133 8.787 12.869 1.531 1.00 0.00 H new ATOM 1579 N ASP A 134 10.110 8.800 4.397 1.00 0.00 N ATOM 1580 CA ASP A 134 9.962 7.489 5.019 1.00 0.00 C ATOM 1581 C ASP A 134 8.936 7.536 6.148 1.00 0.00 C ATOM 1582 O ASP A 134 8.505 8.611 6.565 1.00 0.00 O ATOM 1583 CB ASP A 134 11.307 7.000 5.556 1.00 0.00 C ATOM 1584 CG ASP A 134 11.846 7.890 6.661 1.00 0.00 C ATOM 1585 OD1 ASP A 134 12.564 8.860 6.344 1.00 0.00 O ATOM 1586 OD2 ASP A 134 11.549 7.611 7.842 1.00 0.00 O ATOM 0 H ASP A 134 11.061 9.169 4.411 1.00 0.00 H new ATOM 0 HA ASP A 134 9.609 6.792 4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 134 11.197 5.983 5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 134 12.029 6.961 4.740 1.00 0.00 H new ATOM 1590 N LEU A 135 8.547 6.363 6.635 1.00 0.00 N ATOM 1591 CA LEU A 135 7.572 6.269 7.715 1.00 0.00 C ATOM 1592 C LEU A 135 8.089 6.949 8.978 1.00 0.00 C ATOM 1593 O LEU A 135 9.293 7.113 9.175 1.00 0.00 O ATOM 1594 CB LEU A 135 7.243 4.804 8.007 1.00 0.00 C ATOM 1595 CG LEU A 135 8.135 4.111 9.039 1.00 0.00 C ATOM 1596 CD1 LEU A 135 7.557 4.269 10.437 1.00 0.00 C ATOM 1597 CD2 LEU A 135 8.305 2.638 8.693 1.00 0.00 C ATOM 0 H LEU A 135 8.892 5.464 6.299 1.00 0.00 H new ATOM 0 HA LEU A 135 6.664 6.781 7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.210 4.745 8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.300 4.246 7.073 1.00 0.00 H new ATOM 0 HG LEU A 135 9.117 4.584 9.019 1.00 0.00 H new ATOM 0 HD11 LEU A 135 8.205 3.770 11.157 1.00 0.00 H new ATOM 0 HD12 LEU A 135 7.488 5.328 10.685 1.00 0.00 H new ATOM 0 HD13 LEU A 135 6.563 3.822 10.472 1.00 0.00 H new ATOM 0 HD21 LEU A 135 8.942 2.161 9.437 1.00 0.00 H new ATOM 0 HD22 LEU A 135 7.330 2.151 8.684 1.00 0.00 H new ATOM 0 HD23 LEU A 135 8.765 2.546 7.709 1.00 0.00 H new ATOM 1608 N PRO A 136 7.159 7.353 9.857 1.00 0.00 N ATOM 1609 CA PRO A 136 7.499 8.019 11.118 1.00 0.00 C ATOM 1610 C PRO A 136 8.167 7.074 12.111 1.00 0.00 C ATOM 1611 O PRO A 136 7.525 6.177 12.657 1.00 0.00 O ATOM 1612 CB PRO A 136 6.141 8.481 11.651 1.00 0.00 C ATOM 1613 CG PRO A 136 5.155 7.546 11.040 1.00 0.00 C ATOM 1614 CD PRO A 136 5.706 7.191 9.686 1.00 0.00 C ATOM 0 HA PRO A 136 8.214 8.829 10.972 1.00 0.00 H new ATOM 0 HB2 PRO A 136 6.107 8.436 12.740 1.00 0.00 H new ATOM 0 HB3 PRO A 136 5.935 9.513 11.368 1.00 0.00 H new ATOM 0 HG2 PRO A 136 5.028 6.655 11.656 1.00 0.00 H new ATOM 0 HG3 PRO A 136 4.175 8.015 10.952 1.00 0.00 H new ATOM 0 HD2 PRO A 136 5.446 6.172 9.401 1.00 0.00 H new ATOM 0 HD3 PRO A 136 5.317 7.849 8.909 1.00 0.00 H new ATOM 1708 N THR A 144 7.800 -3.939 5.803 1.00 0.00 N ATOM 1709 CA THR A 144 8.456 -2.794 5.183 1.00 0.00 C ATOM 1710 C THR A 144 7.756 -2.397 3.889 1.00 0.00 C ATOM 1711 O THR A 144 6.845 -3.084 3.427 1.00 0.00 O ATOM 1712 CB THR A 144 9.937 -3.091 4.883 1.00 0.00 C ATOM 1713 OG1 THR A 144 10.407 -4.146 5.730 1.00 0.00 O ATOM 1714 CG2 THR A 144 10.790 -1.848 5.093 1.00 0.00 C ATOM 0 HA THR A 144 8.396 -1.970 5.894 1.00 0.00 H new ATOM 0 HB THR A 144 10.019 -3.399 3.841 1.00 0.00 H new ATOM 0 HG1 THR A 144 9.646 -4.567 6.181 1.00 0.00 H new ATOM 0 HG21 THR A 144 11.832 -2.081 4.875 1.00 0.00 H new ATOM 0 HG22 THR A 144 10.449 -1.056 4.427 1.00 0.00 H new ATOM 0 HG23 THR A 144 10.701 -1.516 6.127 1.00 0.00 H new ATOM 1722 N ILE A 145 8.189 -1.283 3.306 1.00 0.00 N ATOM 1723 CA ILE A 145 7.606 -0.795 2.063 1.00 0.00 C ATOM 1724 C ILE A 145 8.687 -0.475 1.037 1.00 0.00 C ATOM 1725 O ILE A 145 9.881 -0.561 1.328 1.00 0.00 O ATOM 1726 CB ILE A 145 6.747 0.461 2.299 1.00 0.00 C ATOM 1727 CG1 ILE A 145 7.595 1.575 2.917 1.00 0.00 C ATOM 1728 CG2 ILE A 145 5.561 0.131 3.192 1.00 0.00 C ATOM 1729 CD1 ILE A 145 8.273 2.458 1.894 1.00 0.00 C ATOM 0 H ILE A 145 8.942 -0.702 3.675 1.00 0.00 H new ATOM 0 HA ILE A 145 6.970 -1.592 1.678 1.00 0.00 H new ATOM 0 HB ILE A 145 6.366 0.810 1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 145 6.961 2.192 3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 145 8.354 1.129 3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 145 4.963 1.029 3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 145 4.948 -0.634 2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 145 5.920 -0.239 4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 145 8.856 3.225 2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 145 8.933 1.854 1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.519 2.933 1.267 1.00 0.00 H new ATOM 1740 N THR A 146 8.262 -0.102 -0.167 1.00 0.00 N ATOM 1741 CA THR A 146 9.193 0.235 -1.237 1.00 0.00 C ATOM 1742 C THR A 146 8.551 1.174 -2.251 1.00 0.00 C ATOM 1743 O THR A 146 7.600 0.803 -2.940 1.00 0.00 O ATOM 1744 CB THR A 146 9.689 -1.028 -1.966 1.00 0.00 C ATOM 1745 OG1 THR A 146 8.602 -1.938 -2.166 1.00 0.00 O ATOM 1746 CG2 THR A 146 10.791 -1.715 -1.172 1.00 0.00 C ATOM 0 H THR A 146 7.278 -0.026 -0.425 1.00 0.00 H new ATOM 0 HA THR A 146 10.042 0.735 -0.771 1.00 0.00 H new ATOM 0 HB THR A 146 10.093 -0.726 -2.932 1.00 0.00 H new ATOM 0 HG1 THR A 146 8.846 -2.821 -1.817 1.00 0.00 H new ATOM 0 HG21 THR A 146 11.125 -2.604 -1.707 1.00 0.00 H new ATOM 0 HG22 THR A 146 11.630 -1.031 -1.047 1.00 0.00 H new ATOM 0 HG23 THR A 146 10.408 -2.003 -0.193 1.00 0.00 H new ATOM 1754 N ILE A 147 9.075 2.392 -2.337 1.00 0.00 N ATOM 1755 CA ILE A 147 8.552 3.383 -3.268 1.00 0.00 C ATOM 1756 C ILE A 147 9.166 3.213 -4.653 1.00 0.00 C ATOM 1757 O ILE A 147 10.308 2.773 -4.789 1.00 0.00 O ATOM 1758 CB ILE A 147 8.819 4.817 -2.772 1.00 0.00 C ATOM 1759 CG1 ILE A 147 8.067 5.828 -3.640 1.00 0.00 C ATOM 1760 CG2 ILE A 147 10.311 5.111 -2.780 1.00 0.00 C ATOM 1761 CD1 ILE A 147 8.033 7.221 -3.053 1.00 0.00 C ATOM 0 H ILE A 147 9.861 2.716 -1.773 1.00 0.00 H new ATOM 0 HA ILE A 147 7.476 3.223 -3.328 1.00 0.00 H new ATOM 0 HB ILE A 147 8.457 4.905 -1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 147 8.534 5.868 -4.624 1.00 0.00 H new ATOM 0 HG13 ILE A 147 7.045 5.479 -3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 147 10.483 6.128 -2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 147 10.824 4.407 -2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 147 10.697 5.009 -3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 147 7.484 7.884 -3.721 1.00 0.00 H new ATOM 0 HD12 ILE A 147 7.539 7.195 -2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 147 9.052 7.590 -2.932 1.00 0.00 H new ATOM 1772 N VAL A 148 8.403 3.569 -5.681 1.00 0.00 N ATOM 1773 CA VAL A 148 8.873 3.459 -7.057 1.00 0.00 C ATOM 1774 C VAL A 148 9.778 4.629 -7.423 1.00 0.00 C ATOM 1775 O VAL A 148 9.573 5.752 -6.965 1.00 0.00 O ATOM 1776 CB VAL A 148 7.696 3.404 -8.050 1.00 0.00 C ATOM 1777 CG1 VAL A 148 6.916 2.110 -7.883 1.00 0.00 C ATOM 1778 CG2 VAL A 148 6.787 4.611 -7.865 1.00 0.00 C ATOM 0 H VAL A 148 7.456 3.936 -5.587 1.00 0.00 H new ATOM 0 HA VAL A 148 9.439 2.530 -7.125 1.00 0.00 H new ATOM 0 HB VAL A 148 8.097 3.430 -9.063 1.00 0.00 H new ATOM 0 HG11 VAL A 148 6.089 2.090 -8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 148 7.575 1.262 -8.069 1.00 0.00 H new ATOM 0 HG13 VAL A 148 6.524 2.050 -6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 148 5.961 4.556 -8.574 1.00 0.00 H new ATOM 0 HG22 VAL A 148 6.393 4.617 -6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 148 7.355 5.525 -8.040 1.00 0.00 H new