USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 792 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 19 THR OG1 : rot 180:sc= 0.897 USER MOD Set 1.2: A 66 GLN : amide:sc= 1.25 K(o=2.1,f=-2!) USER MOD Single : A 1 GLU N :NH3+ -169:sc= 0.00508 (180deg=-0.0778) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 164:sc= 1.49 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.338 K(o=-0.34,f=-6!) USER MOD Single : A 16 GLN :FLIP amide:sc= 0.311 F(o=-0.65,f=0.31) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -140:sc= 1.23 (180deg=-0.0942) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.454 K(o=-0.45,f=-4.6) USER MOD Single : A 32 ASN : amide:sc= -0.0392 X(o=-0.039,f=-0.039) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 37 THR OG1 : rot -47:sc= 1.19 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.015 X(o=-0.015,f=-0.015) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 175:sc= 0.795 USER MOD Single : A 64 CYS SG : rot 149:sc= -0.248! USER MOD Single : A 69 HIS : no HE2:sc= 0.799 K(o=0.8,f=-3.5!) USER MOD Single : A 74 TYR OH : rot 130:sc= -0.129 USER MOD Single : A 75 ASN : amide:sc= -0.703 X(o=-0.7,f=-1) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.188 K(o=-0.19,f=-0.8) USER MOD Single : A 80 ASN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Single : A 83 TYR OH : rot -169:sc= 1.23 USER MOD Single : A 84 CYS SG : rot -43:sc= -0.53 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 89 CYS SG : rot -91:sc= -2.27! USER MOD Single : A 90 GLN :FLIP amide:sc= -0.0912 F(o=-1.7!,f=-0.091) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -2.05! C(o=-2!,f=-3.4!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -66.214 107.188 16.456 1.00 0.00 N ATOM 2 CA GLU A 1 -65.516 105.913 16.306 1.00 0.00 C ATOM 3 C GLU A 1 -64.481 105.771 17.403 1.00 0.00 C ATOM 4 O GLU A 1 -64.456 104.770 18.128 1.00 0.00 O ATOM 5 CB GLU A 1 -64.841 105.812 14.931 1.00 0.00 C ATOM 6 CG GLU A 1 -65.785 106.046 13.764 1.00 0.00 C ATOM 7 CD GLU A 1 -67.023 105.201 13.859 1.00 0.00 C ATOM 8 OE1 GLU A 1 -66.978 104.010 13.517 1.00 0.00 O ATOM 9 OE2 GLU A 1 -68.054 105.720 14.295 1.00 0.00 O1- ATOM 0 H1 GLU A 1 -67.042 107.207 15.827 1.00 0.00 H new ATOM 0 H2 GLU A 1 -66.526 107.299 17.442 1.00 0.00 H new ATOM 0 H3 GLU A 1 -65.572 107.967 16.206 1.00 0.00 H new ATOM 0 HA GLU A 1 -66.246 105.107 16.384 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -64.030 106.538 14.881 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -64.391 104.824 14.830 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -66.067 107.098 13.732 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -65.268 105.826 12.830 1.00 0.00 H new ATOM 18 N THR A 2 -63.638 106.761 17.531 1.00 0.00 N ATOM 19 CA THR A 2 -62.639 106.775 18.543 1.00 0.00 C ATOM 20 C THR A 2 -63.018 107.827 19.595 1.00 0.00 C ATOM 21 O THR A 2 -63.160 109.008 19.258 1.00 0.00 O ATOM 22 CB THR A 2 -61.280 107.148 17.933 1.00 0.00 C ATOM 23 OG1 THR A 2 -61.030 106.325 16.771 1.00 0.00 O ATOM 24 CG2 THR A 2 -60.176 106.931 18.950 1.00 0.00 C ATOM 0 H THR A 2 -63.633 107.583 16.927 1.00 0.00 H new ATOM 0 HA THR A 2 -62.570 105.787 18.999 1.00 0.00 H new ATOM 0 HB THR A 2 -61.297 108.198 17.643 1.00 0.00 H new ATOM 0 HG1 THR A 2 -60.163 106.564 16.381 1.00 0.00 H new ATOM 0 HG21 THR A 2 -59.216 107.198 18.508 1.00 0.00 H new ATOM 0 HG22 THR A 2 -60.359 107.555 19.825 1.00 0.00 H new ATOM 0 HG23 THR A 2 -60.158 105.883 19.250 1.00 0.00 H new ATOM 32 N PRO A 3 -63.189 107.423 20.877 1.00 0.00 N ATOM 33 CA PRO A 3 -63.583 108.341 21.956 1.00 0.00 C ATOM 34 C PRO A 3 -62.622 109.529 22.109 1.00 0.00 C ATOM 35 O PRO A 3 -63.051 110.675 22.295 1.00 0.00 O ATOM 36 CB PRO A 3 -63.577 107.466 23.223 1.00 0.00 C ATOM 37 CG PRO A 3 -62.851 106.216 22.847 1.00 0.00 C ATOM 38 CD PRO A 3 -63.037 106.039 21.369 1.00 0.00 C ATOM 0 HA PRO A 3 -64.553 108.794 21.752 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -63.079 107.975 24.048 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -64.593 107.245 23.551 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -61.793 106.292 23.098 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -63.247 105.359 23.392 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -62.181 105.542 20.913 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -63.915 105.433 21.144 1.00 0.00 H new ATOM 46 N ALA A 4 -61.335 109.263 21.962 1.00 0.00 N ATOM 47 CA ALA A 4 -60.305 110.288 22.101 1.00 0.00 C ATOM 48 C ALA A 4 -60.001 110.962 20.760 1.00 0.00 C ATOM 49 O ALA A 4 -58.943 111.599 20.597 1.00 0.00 O ATOM 50 CB ALA A 4 -59.046 109.669 22.671 1.00 0.00 C ATOM 0 H ALA A 4 -60.972 108.335 21.744 1.00 0.00 H new ATOM 0 HA ALA A 4 -60.676 111.055 22.781 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -58.278 110.436 22.774 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -59.263 109.239 23.649 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -58.690 108.886 22.001 1.00 0.00 H new ATOM 56 N THR A 5 -60.925 110.816 19.811 1.00 0.00 N ATOM 57 CA THR A 5 -60.830 111.380 18.469 1.00 0.00 C ATOM 58 C THR A 5 -59.814 110.619 17.609 1.00 0.00 C ATOM 59 O THR A 5 -60.177 109.987 16.615 1.00 0.00 O ATOM 60 CB THR A 5 -60.500 112.902 18.485 1.00 0.00 C ATOM 61 OG1 THR A 5 -61.472 113.611 19.288 1.00 0.00 O ATOM 62 CG2 THR A 5 -60.486 113.470 17.067 1.00 0.00 C ATOM 0 H THR A 5 -61.784 110.287 19.961 1.00 0.00 H new ATOM 0 HA THR A 5 -61.816 111.265 18.019 1.00 0.00 H new ATOM 0 HB THR A 5 -59.509 113.033 18.919 1.00 0.00 H new ATOM 0 HG1 THR A 5 -61.256 114.567 19.294 1.00 0.00 H new ATOM 0 HG21 THR A 5 -60.253 114.534 17.104 1.00 0.00 H new ATOM 0 HG22 THR A 5 -59.730 112.953 16.476 1.00 0.00 H new ATOM 0 HG23 THR A 5 -61.465 113.328 16.609 1.00 0.00 H new ATOM 70 N ARG A 6 -58.570 110.647 18.005 1.00 0.00 N ATOM 71 CA ARG A 6 -57.532 110.026 17.244 1.00 0.00 C ATOM 72 C ARG A 6 -57.298 108.614 17.716 1.00 0.00 C ATOM 73 O ARG A 6 -57.076 108.377 18.904 1.00 0.00 O ATOM 74 CB ARG A 6 -56.266 110.857 17.291 1.00 0.00 C ATOM 75 CG ARG A 6 -55.081 110.281 16.545 1.00 0.00 C ATOM 76 CD ARG A 6 -53.953 111.278 16.523 1.00 0.00 C ATOM 77 NE ARG A 6 -52.767 110.789 15.833 1.00 0.00 N ATOM 78 CZ ARG A 6 -51.737 111.562 15.476 1.00 0.00 C ATOM 79 NH1 ARG A 6 -51.789 112.883 15.680 1.00 0.00 N1+ ATOM 80 NH2 ARG A 6 -50.666 111.030 14.917 1.00 0.00 N ATOM 0 H ARG A 6 -58.253 111.101 18.862 1.00 0.00 H new ATOM 0 HA ARG A 6 -57.846 109.971 16.202 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -56.485 111.844 16.884 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -55.983 110.998 18.334 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -54.753 109.358 17.024 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -55.371 110.025 15.526 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -54.295 112.193 16.039 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -53.688 111.539 17.547 1.00 0.00 H new ATOM 0 HE ARG A 6 -52.720 109.795 15.608 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -52.615 113.301 16.108 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -51.003 113.472 15.407 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -50.622 110.024 14.755 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -49.883 111.625 14.647 1.00 0.00 H new ATOM 94 N PRO A 7 -57.385 107.661 16.801 1.00 0.00 N ATOM 95 CA PRO A 7 -57.193 106.253 17.105 1.00 0.00 C ATOM 96 C PRO A 7 -55.761 105.964 17.523 1.00 0.00 C ATOM 97 O PRO A 7 -54.817 106.094 16.719 1.00 0.00 O ATOM 98 CB PRO A 7 -57.535 105.547 15.789 1.00 0.00 C ATOM 99 CG PRO A 7 -57.341 106.580 14.734 1.00 0.00 C ATOM 100 CD PRO A 7 -57.669 107.891 15.373 1.00 0.00 C ATOM 0 HA PRO A 7 -57.810 105.919 17.939 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -56.886 104.687 15.623 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -58.560 105.177 15.795 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -56.316 106.572 14.365 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -57.989 106.390 13.879 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -57.059 108.698 14.968 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -58.711 108.167 15.211 1.00 0.00 H new ATOM 108 N VAL A 8 -55.590 105.636 18.787 1.00 0.00 N ATOM 109 CA VAL A 8 -54.293 105.296 19.315 1.00 0.00 C ATOM 110 C VAL A 8 -53.823 104.012 18.648 1.00 0.00 C ATOM 111 O VAL A 8 -54.567 103.048 18.591 1.00 0.00 O ATOM 112 CB VAL A 8 -54.306 105.163 20.884 1.00 0.00 C ATOM 113 CG1 VAL A 8 -55.310 104.118 21.375 1.00 0.00 C ATOM 114 CG2 VAL A 8 -52.909 104.871 21.431 1.00 0.00 C ATOM 0 H VAL A 8 -56.345 105.599 19.472 1.00 0.00 H new ATOM 0 HA VAL A 8 -53.595 106.103 19.092 1.00 0.00 H new ATOM 0 HB VAL A 8 -54.631 106.128 21.272 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -55.279 104.066 22.463 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -56.313 104.398 21.054 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -55.054 103.144 20.958 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -52.954 104.785 22.517 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -52.541 103.936 21.008 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -52.235 105.683 21.159 1.00 0.00 H new ATOM 124 N THR A 9 -52.628 104.053 18.070 1.00 0.00 N ATOM 125 CA THR A 9 -52.026 102.921 17.349 1.00 0.00 C ATOM 126 C THR A 9 -52.702 102.716 15.949 1.00 0.00 C ATOM 127 O THR A 9 -52.341 101.816 15.172 1.00 0.00 O ATOM 128 CB THR A 9 -52.071 101.635 18.220 1.00 0.00 C ATOM 129 OG1 THR A 9 -51.635 101.979 19.553 1.00 0.00 O ATOM 130 CG2 THR A 9 -51.152 100.551 17.681 1.00 0.00 C ATOM 0 H THR A 9 -52.035 104.883 18.085 1.00 0.00 H new ATOM 0 HA THR A 9 -50.977 103.149 17.158 1.00 0.00 H new ATOM 0 HB THR A 9 -53.091 101.251 18.211 1.00 0.00 H new ATOM 0 HG1 THR A 9 -51.892 101.267 20.175 1.00 0.00 H new ATOM 0 HG21 THR A 9 -51.215 99.670 18.320 1.00 0.00 H new ATOM 0 HG22 THR A 9 -51.456 100.287 16.668 1.00 0.00 H new ATOM 0 HG23 THR A 9 -50.126 100.918 17.668 1.00 0.00 H new ATOM 138 N GLY A 10 -53.650 103.582 15.637 1.00 0.00 N ATOM 139 CA GLY A 10 -54.300 103.577 14.353 1.00 0.00 C ATOM 140 C GLY A 10 -55.342 102.492 14.200 1.00 0.00 C ATOM 141 O GLY A 10 -56.479 102.630 14.674 1.00 0.00 O ATOM 0 H GLY A 10 -53.986 104.306 16.272 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -54.772 104.546 14.191 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -53.546 103.456 13.575 1.00 0.00 H new ATOM 145 N SER A 11 -54.959 101.427 13.539 1.00 0.00 N ATOM 146 CA SER A 11 -55.856 100.333 13.235 1.00 0.00 C ATOM 147 C SER A 11 -56.097 99.446 14.451 1.00 0.00 C ATOM 148 O SER A 11 -57.195 98.920 14.638 1.00 0.00 O ATOM 149 CB SER A 11 -55.261 99.514 12.094 1.00 0.00 C ATOM 150 OG SER A 11 -54.938 100.357 10.985 1.00 0.00 O ATOM 0 H SER A 11 -54.009 101.292 13.193 1.00 0.00 H new ATOM 0 HA SER A 11 -56.822 100.744 12.941 1.00 0.00 H new ATOM 0 HB2 SER A 11 -54.365 98.998 12.438 1.00 0.00 H new ATOM 0 HB3 SER A 11 -55.970 98.748 11.781 1.00 0.00 H new ATOM 0 HG SER A 11 -54.556 99.816 10.263 1.00 0.00 H new ATOM 156 N TRP A 12 -55.091 99.316 15.276 1.00 0.00 N ATOM 157 CA TRP A 12 -55.162 98.438 16.411 1.00 0.00 C ATOM 158 C TRP A 12 -55.534 99.200 17.651 1.00 0.00 C ATOM 159 O TRP A 12 -54.946 100.227 17.950 1.00 0.00 O ATOM 160 CB TRP A 12 -53.833 97.717 16.621 1.00 0.00 C ATOM 161 CG TRP A 12 -53.451 96.807 15.497 1.00 0.00 C ATOM 162 CD1 TRP A 12 -52.718 97.124 14.394 1.00 0.00 C ATOM 163 CD2 TRP A 12 -53.791 95.426 15.371 1.00 0.00 C ATOM 164 NE1 TRP A 12 -52.570 96.018 13.597 1.00 0.00 N ATOM 165 CE2 TRP A 12 -53.224 94.965 14.171 1.00 0.00 C ATOM 166 CE3 TRP A 12 -54.520 94.533 16.159 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -53.363 93.651 13.737 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -54.657 93.232 15.729 1.00 0.00 C ATOM 169 CH2 TRP A 12 -54.080 92.803 14.528 1.00 0.00 C ATOM 0 H TRP A 12 -54.205 99.813 15.180 1.00 0.00 H new ATOM 0 HA TRP A 12 -55.935 97.695 16.212 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -53.046 98.459 16.758 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -53.888 97.137 17.542 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -52.313 98.102 14.179 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -52.055 95.987 12.717 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -54.967 94.856 17.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -52.921 93.316 12.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -55.219 92.531 16.328 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -54.206 91.775 14.220 1.00 0.00 H new ATOM 180 N LYS A 13 -56.514 98.704 18.345 1.00 0.00 N ATOM 181 CA LYS A 13 -56.947 99.268 19.598 1.00 0.00 C ATOM 182 C LYS A 13 -56.838 98.202 20.643 1.00 0.00 C ATOM 183 O LYS A 13 -56.861 97.017 20.313 1.00 0.00 O ATOM 184 CB LYS A 13 -58.371 99.805 19.490 1.00 0.00 C ATOM 185 CG LYS A 13 -58.468 101.036 18.593 1.00 0.00 C ATOM 186 CD LYS A 13 -59.897 101.499 18.385 1.00 0.00 C ATOM 187 CE LYS A 13 -60.712 100.469 17.621 1.00 0.00 C ATOM 188 NZ LYS A 13 -62.053 100.971 17.290 1.00 0.00 N1+ ATOM 0 H LYS A 13 -57.046 97.883 18.056 1.00 0.00 H new ATOM 0 HA LYS A 13 -56.317 100.114 19.871 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -59.022 99.023 19.099 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -58.737 100.056 20.486 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -57.888 101.847 19.033 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -58.019 100.812 17.626 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -60.363 101.689 19.352 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -59.899 102.443 17.840 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -60.188 100.199 16.704 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -60.801 99.561 18.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -62.579 100.240 16.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -62.562 101.205 18.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -61.969 101.823 16.700 1.00 0.00 H new ATOM 202 N LYS A 14 -56.704 98.575 21.878 1.00 0.00 N ATOM 203 CA LYS A 14 -56.479 97.585 22.880 1.00 0.00 C ATOM 204 C LYS A 14 -57.700 97.359 23.735 1.00 0.00 C ATOM 205 O LYS A 14 -58.342 98.297 24.207 1.00 0.00 O ATOM 206 CB LYS A 14 -55.248 97.924 23.719 1.00 0.00 C ATOM 207 CG LYS A 14 -54.783 96.795 24.638 1.00 0.00 C ATOM 208 CD LYS A 14 -53.404 97.075 25.218 1.00 0.00 C ATOM 209 CE LYS A 14 -53.394 98.271 26.128 1.00 0.00 C ATOM 210 NZ LYS A 14 -52.036 98.660 26.551 1.00 0.00 N1+ ATOM 0 H LYS A 14 -56.746 99.538 22.211 1.00 0.00 H new ATOM 0 HA LYS A 14 -56.280 96.642 22.371 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -54.430 98.193 23.051 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -55.467 98.803 24.325 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -55.500 96.667 25.449 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -54.761 95.858 24.081 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -53.061 96.200 25.770 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -52.697 97.236 24.404 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -53.865 99.112 25.619 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -53.996 98.054 27.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -52.091 99.489 27.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -51.592 97.870 27.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -51.466 98.895 25.714 1.00 0.00 H new ATOM 224 N ASN A 15 -58.019 96.116 23.878 1.00 0.00 N ATOM 225 CA ASN A 15 -59.101 95.624 24.701 1.00 0.00 C ATOM 226 C ASN A 15 -58.595 95.656 26.136 1.00 0.00 C ATOM 227 O ASN A 15 -57.387 95.512 26.356 1.00 0.00 O ATOM 228 CB ASN A 15 -59.409 94.172 24.225 1.00 0.00 C ATOM 229 CG ASN A 15 -60.563 93.436 24.905 1.00 0.00 C ATOM 230 OD1 ASN A 15 -60.848 93.612 26.084 1.00 0.00 O ATOM 231 ND2 ASN A 15 -61.227 92.586 24.150 1.00 0.00 N ATOM 0 H ASN A 15 -57.513 95.368 23.404 1.00 0.00 H new ATOM 0 HA ASN A 15 -60.015 96.214 24.630 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -59.615 94.205 23.155 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -58.506 93.576 24.357 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -62.002 92.052 24.543 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -60.966 92.461 23.172 1.00 0.00 H new ATOM 238 N GLN A 16 -59.491 95.828 27.089 1.00 0.00 N ATOM 239 CA GLN A 16 -59.160 95.963 28.519 1.00 0.00 C ATOM 240 C GLN A 16 -58.304 94.796 29.069 1.00 0.00 C ATOM 241 O GLN A 16 -57.670 94.920 30.116 1.00 0.00 O ATOM 242 CB GLN A 16 -60.445 96.103 29.339 1.00 0.00 C ATOM 243 CG GLN A 16 -61.387 94.915 29.198 1.00 0.00 C ATOM 244 CD GLN A 16 -62.639 95.024 30.043 1.00 0.00 C ATOM 245 OE1 GLN A 16 -63.117 96.220 30.264 1.00 0.00 O flip ATOM 246 NE2 GLN A 16 -63.178 94.015 30.488 1.00 0.00 N flip ATOM 0 H GLN A 16 -60.492 95.881 26.901 1.00 0.00 H new ATOM 0 HA GLN A 16 -58.551 96.862 28.613 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -60.184 96.227 30.390 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -60.967 97.009 29.031 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -61.674 94.813 28.151 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -60.853 94.005 29.472 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -62.778 93.096 30.296 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -64.026 94.095 31.049 1.00 0.00 H new ATOM 255 N TYR A 17 -58.296 93.672 28.373 1.00 0.00 N ATOM 256 CA TYR A 17 -57.501 92.522 28.776 1.00 0.00 C ATOM 257 C TYR A 17 -56.075 92.588 28.223 1.00 0.00 C ATOM 258 O TYR A 17 -55.275 91.679 28.433 1.00 0.00 O ATOM 259 CB TYR A 17 -58.187 91.219 28.363 1.00 0.00 C ATOM 260 CG TYR A 17 -59.469 90.962 29.115 1.00 0.00 C ATOM 261 CD1 TYR A 17 -60.705 91.268 28.561 1.00 0.00 C ATOM 262 CD2 TYR A 17 -59.438 90.433 30.395 1.00 0.00 C ATOM 263 CE1 TYR A 17 -61.871 91.053 29.268 1.00 0.00 C ATOM 264 CE2 TYR A 17 -60.596 90.212 31.100 1.00 0.00 C ATOM 265 CZ TYR A 17 -61.809 90.524 30.536 1.00 0.00 C ATOM 266 OH TYR A 17 -62.972 90.317 31.253 1.00 0.00 O ATOM 0 H TYR A 17 -58.835 93.530 27.519 1.00 0.00 H new ATOM 0 HA TYR A 17 -57.425 92.544 29.863 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -58.399 91.250 27.294 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -57.503 90.387 28.528 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -60.755 91.680 27.564 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -58.487 90.190 30.846 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -62.826 91.299 28.828 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -60.553 89.794 32.095 1.00 0.00 H new ATOM 0 HH TYR A 17 -62.753 89.937 32.129 1.00 0.00 H new ATOM 276 N GLY A 18 -55.758 93.666 27.533 1.00 0.00 N ATOM 277 CA GLY A 18 -54.429 93.844 26.976 1.00 0.00 C ATOM 278 C GLY A 18 -54.316 93.211 25.612 1.00 0.00 C ATOM 279 O GLY A 18 -53.223 93.031 25.079 1.00 0.00 O ATOM 0 H GLY A 18 -56.403 94.433 27.344 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -54.202 94.908 26.905 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -53.690 93.404 27.646 1.00 0.00 H new ATOM 283 N THR A 19 -55.442 92.864 25.069 1.00 0.00 N ATOM 284 CA THR A 19 -55.527 92.255 23.774 1.00 0.00 C ATOM 285 C THR A 19 -55.675 93.347 22.724 1.00 0.00 C ATOM 286 O THR A 19 -56.612 94.126 22.783 1.00 0.00 O ATOM 287 CB THR A 19 -56.774 91.333 23.719 1.00 0.00 C ATOM 288 OG1 THR A 19 -56.728 90.362 24.786 1.00 0.00 O ATOM 289 CG2 THR A 19 -56.881 90.620 22.382 1.00 0.00 C ATOM 0 H THR A 19 -56.346 92.998 25.521 1.00 0.00 H new ATOM 0 HA THR A 19 -54.628 91.669 23.584 1.00 0.00 H new ATOM 0 HB THR A 19 -57.655 91.964 23.840 1.00 0.00 H new ATOM 0 HG1 THR A 19 -57.521 89.788 24.740 1.00 0.00 H new ATOM 0 HG21 THR A 19 -57.766 89.983 22.379 1.00 0.00 H new ATOM 0 HG22 THR A 19 -56.961 91.356 21.582 1.00 0.00 H new ATOM 0 HG23 THR A 19 -55.993 90.008 22.224 1.00 0.00 H new ATOM 297 N TRP A 20 -54.756 93.440 21.816 1.00 0.00 N ATOM 298 CA TRP A 20 -54.901 94.391 20.740 1.00 0.00 C ATOM 299 C TRP A 20 -55.764 93.776 19.688 1.00 0.00 C ATOM 300 O TRP A 20 -55.549 92.640 19.320 1.00 0.00 O ATOM 301 CB TRP A 20 -53.556 94.810 20.174 1.00 0.00 C ATOM 302 CG TRP A 20 -52.767 95.647 21.120 1.00 0.00 C ATOM 303 CD1 TRP A 20 -51.969 95.215 22.127 1.00 0.00 C ATOM 304 CD2 TRP A 20 -52.713 97.072 21.151 1.00 0.00 C ATOM 305 NE1 TRP A 20 -51.417 96.285 22.778 1.00 0.00 N ATOM 306 CE2 TRP A 20 -51.855 97.434 22.198 1.00 0.00 C ATOM 307 CE3 TRP A 20 -53.306 98.075 20.395 1.00 0.00 C ATOM 308 CZ2 TRP A 20 -51.574 98.755 22.509 1.00 0.00 C ATOM 309 CZ3 TRP A 20 -53.031 99.383 20.705 1.00 0.00 C ATOM 310 CH2 TRP A 20 -52.171 99.714 21.753 1.00 0.00 C ATOM 0 H TRP A 20 -53.904 92.880 21.790 1.00 0.00 H new ATOM 0 HA TRP A 20 -55.368 95.300 21.119 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -52.982 93.920 19.918 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -53.713 95.365 19.249 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -51.795 94.179 22.379 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -50.779 96.229 23.572 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -53.970 97.830 19.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -50.908 99.012 23.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -53.489 100.172 20.127 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -51.976 100.754 21.968 1.00 0.00 H new ATOM 321 N TYR A 21 -56.746 94.483 19.245 1.00 0.00 N ATOM 322 CA TYR A 21 -57.673 93.947 18.295 1.00 0.00 C ATOM 323 C TYR A 21 -58.047 94.998 17.299 1.00 0.00 C ATOM 324 O TYR A 21 -57.875 96.207 17.550 1.00 0.00 O ATOM 325 CB TYR A 21 -58.947 93.419 19.000 1.00 0.00 C ATOM 326 CG TYR A 21 -59.843 94.494 19.595 1.00 0.00 C ATOM 327 CD1 TYR A 21 -59.467 95.195 20.727 1.00 0.00 C ATOM 328 CD2 TYR A 21 -61.071 94.802 19.015 1.00 0.00 C ATOM 329 CE1 TYR A 21 -60.277 96.165 21.265 1.00 0.00 C ATOM 330 CE2 TYR A 21 -61.887 95.777 19.551 1.00 0.00 C ATOM 331 CZ TYR A 21 -61.481 96.453 20.678 1.00 0.00 C ATOM 332 OH TYR A 21 -62.292 97.421 21.231 1.00 0.00 O ATOM 0 H TYR A 21 -56.933 95.445 19.526 1.00 0.00 H new ATOM 0 HA TYR A 21 -57.192 93.114 17.783 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -59.528 92.839 18.282 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -58.648 92.735 19.795 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -58.519 94.975 21.196 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -61.390 94.269 18.131 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -59.965 96.700 22.150 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -62.836 96.007 19.090 1.00 0.00 H new ATOM 0 HH TYR A 21 -63.109 97.507 20.697 1.00 0.00 H new ATOM 342 N LYS A 22 -58.524 94.556 16.185 1.00 0.00 N ATOM 343 CA LYS A 22 -59.029 95.423 15.182 1.00 0.00 C ATOM 344 C LYS A 22 -60.117 94.683 14.419 1.00 0.00 C ATOM 345 O LYS A 22 -60.067 93.439 14.298 1.00 0.00 O ATOM 346 CB LYS A 22 -57.934 95.869 14.197 1.00 0.00 C ATOM 347 CG LYS A 22 -57.420 94.762 13.323 1.00 0.00 C ATOM 348 CD LYS A 22 -56.560 95.282 12.202 1.00 0.00 C ATOM 349 CE LYS A 22 -56.212 94.163 11.256 1.00 0.00 C ATOM 350 NZ LYS A 22 -55.584 94.656 10.030 1.00 0.00 N1+ ATOM 0 H LYS A 22 -58.574 93.566 15.944 1.00 0.00 H new ATOM 0 HA LYS A 22 -59.420 96.319 15.664 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -58.328 96.665 13.565 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -57.102 96.292 14.760 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -56.844 94.061 13.927 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -58.261 94.208 12.907 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -57.086 96.072 11.666 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -55.649 95.723 12.606 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -55.538 93.465 11.753 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -57.116 93.608 11.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -55.945 94.120 9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -55.806 95.665 9.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -54.553 94.534 10.095 1.00 0.00 H new ATOM 364 N PRO A 23 -61.117 95.404 13.950 1.00 0.00 N ATOM 365 CA PRO A 23 -62.155 94.844 13.108 1.00 0.00 C ATOM 366 C PRO A 23 -61.628 94.645 11.684 1.00 0.00 C ATOM 367 O PRO A 23 -61.139 95.590 11.042 1.00 0.00 O ATOM 368 CB PRO A 23 -63.246 95.917 13.130 1.00 0.00 C ATOM 369 CG PRO A 23 -62.526 97.192 13.398 1.00 0.00 C ATOM 370 CD PRO A 23 -61.323 96.833 14.224 1.00 0.00 C ATOM 0 HA PRO A 23 -62.508 93.871 13.448 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -63.780 95.957 12.180 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -63.986 95.712 13.903 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -62.228 97.673 12.466 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -63.167 97.896 13.930 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -60.452 97.424 13.939 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -61.498 97.015 15.284 1.00 0.00 H new ATOM 378 N GLU A 24 -61.679 93.436 11.216 1.00 0.00 N ATOM 379 CA GLU A 24 -61.226 93.119 9.891 1.00 0.00 C ATOM 380 C GLU A 24 -62.035 91.952 9.404 1.00 0.00 C ATOM 381 O GLU A 24 -62.028 90.906 10.024 1.00 0.00 O ATOM 382 CB GLU A 24 -59.726 92.749 9.933 1.00 0.00 C ATOM 383 CG GLU A 24 -59.122 92.378 8.568 1.00 0.00 C ATOM 384 CD GLU A 24 -57.626 92.098 8.614 1.00 0.00 C ATOM 385 OE1 GLU A 24 -57.218 90.954 8.879 1.00 0.00 O ATOM 386 OE2 GLU A 24 -56.831 93.021 8.358 1.00 0.00 O1- ATOM 0 H GLU A 24 -62.036 92.638 11.741 1.00 0.00 H new ATOM 0 HA GLU A 24 -61.350 93.970 9.222 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -59.169 93.590 10.346 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -59.591 91.910 10.616 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -59.635 91.498 8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -59.309 93.190 7.866 1.00 0.00 H new ATOM 393 N ASN A 25 -62.694 92.105 8.296 1.00 0.00 N ATOM 394 CA ASN A 25 -63.507 91.037 7.788 1.00 0.00 C ATOM 395 C ASN A 25 -62.827 90.446 6.596 1.00 0.00 C ATOM 396 O ASN A 25 -62.777 91.048 5.510 1.00 0.00 O ATOM 397 CB ASN A 25 -64.924 91.509 7.444 1.00 0.00 C ATOM 398 CG ASN A 25 -65.845 90.358 7.052 1.00 0.00 C ATOM 399 OD1 ASN A 25 -65.951 89.996 5.882 1.00 0.00 O ATOM 400 ND2 ASN A 25 -66.519 89.781 8.022 1.00 0.00 N ATOM 0 H ASN A 25 -62.687 92.952 7.728 1.00 0.00 H new ATOM 0 HA ASN A 25 -63.619 90.277 8.561 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -65.347 92.033 8.301 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -64.876 92.226 6.625 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -67.152 89.009 7.814 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -66.409 90.105 8.983 1.00 0.00 H new ATOM 407 N ALA A 26 -62.290 89.294 6.781 1.00 0.00 N ATOM 408 CA ALA A 26 -61.526 88.666 5.743 1.00 0.00 C ATOM 409 C ALA A 26 -61.646 87.186 5.821 1.00 0.00 C ATOM 410 O ALA A 26 -62.126 86.639 6.818 1.00 0.00 O ATOM 411 CB ALA A 26 -60.069 89.084 5.817 1.00 0.00 C ATOM 0 H ALA A 26 -62.361 88.757 7.645 1.00 0.00 H new ATOM 0 HA ALA A 26 -61.928 88.993 4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -59.509 88.595 5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -59.994 90.165 5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -59.655 88.792 6.782 1.00 0.00 H new ATOM 417 N THR A 27 -61.234 86.549 4.783 1.00 0.00 N ATOM 418 CA THR A 27 -61.272 85.139 4.690 1.00 0.00 C ATOM 419 C THR A 27 -59.879 84.532 4.887 1.00 0.00 C ATOM 420 O THR A 27 -58.956 84.798 4.131 1.00 0.00 O ATOM 421 CB THR A 27 -61.862 84.749 3.339 1.00 0.00 C ATOM 422 OG1 THR A 27 -63.193 85.268 3.256 1.00 0.00 O ATOM 423 CG2 THR A 27 -61.851 83.250 3.124 1.00 0.00 C ATOM 0 H THR A 27 -60.852 87.008 3.956 1.00 0.00 H new ATOM 0 HA THR A 27 -61.903 84.742 5.485 1.00 0.00 H new ATOM 0 HB THR A 27 -61.245 85.177 2.549 1.00 0.00 H new ATOM 0 HG1 THR A 27 -63.585 85.026 2.391 1.00 0.00 H new ATOM 0 HG21 THR A 27 -62.280 83.019 2.149 1.00 0.00 H new ATOM 0 HG22 THR A 27 -60.825 82.884 3.164 1.00 0.00 H new ATOM 0 HG23 THR A 27 -62.440 82.766 3.904 1.00 0.00 H new ATOM 431 N PHE A 28 -59.767 83.723 5.883 1.00 0.00 N ATOM 432 CA PHE A 28 -58.564 83.042 6.210 1.00 0.00 C ATOM 433 C PHE A 28 -58.644 81.643 5.664 1.00 0.00 C ATOM 434 O PHE A 28 -59.552 80.880 6.004 1.00 0.00 O ATOM 435 CB PHE A 28 -58.356 83.017 7.737 1.00 0.00 C ATOM 436 CG PHE A 28 -57.252 82.101 8.203 1.00 0.00 C ATOM 437 CD1 PHE A 28 -57.554 80.912 8.853 1.00 0.00 C ATOM 438 CD2 PHE A 28 -55.925 82.414 7.979 1.00 0.00 C ATOM 439 CE1 PHE A 28 -56.558 80.060 9.267 1.00 0.00 C ATOM 440 CE2 PHE A 28 -54.923 81.563 8.396 1.00 0.00 C ATOM 441 CZ PHE A 28 -55.240 80.384 9.041 1.00 0.00 C ATOM 0 H PHE A 28 -60.539 83.510 6.515 1.00 0.00 H new ATOM 0 HA PHE A 28 -57.714 83.561 5.768 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -58.139 84.029 8.078 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -59.288 82.713 8.213 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -58.586 80.653 9.036 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -55.670 83.333 7.473 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -56.810 79.137 9.769 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -53.889 81.819 8.218 1.00 0.00 H new ATOM 0 HZ PHE A 28 -54.455 79.718 9.367 1.00 0.00 H new ATOM 451 N VAL A 29 -57.746 81.326 4.791 1.00 0.00 N ATOM 452 CA VAL A 29 -57.687 80.008 4.230 1.00 0.00 C ATOM 453 C VAL A 29 -56.501 79.305 4.847 1.00 0.00 C ATOM 454 O VAL A 29 -55.344 79.643 4.546 1.00 0.00 O ATOM 455 CB VAL A 29 -57.550 80.023 2.685 1.00 0.00 C ATOM 456 CG1 VAL A 29 -57.636 78.610 2.122 1.00 0.00 C ATOM 457 CG2 VAL A 29 -58.612 80.911 2.053 1.00 0.00 C ATOM 0 H VAL A 29 -57.033 81.967 4.444 1.00 0.00 H new ATOM 0 HA VAL A 29 -58.620 79.489 4.450 1.00 0.00 H new ATOM 0 HB VAL A 29 -56.571 80.434 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -57.538 78.644 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -56.834 78.002 2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -58.598 78.171 2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -58.494 80.904 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -59.602 80.536 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -58.502 81.930 2.424 1.00 0.00 H new ATOM 467 N ASN A 30 -56.790 78.384 5.742 1.00 0.00 N ATOM 468 CA ASN A 30 -55.759 77.664 6.492 1.00 0.00 C ATOM 469 C ASN A 30 -54.877 76.843 5.569 1.00 0.00 C ATOM 470 O ASN A 30 -55.357 76.274 4.582 1.00 0.00 O ATOM 471 CB ASN A 30 -56.382 76.772 7.582 1.00 0.00 C ATOM 472 CG ASN A 30 -55.351 76.078 8.433 1.00 0.00 C ATOM 473 OD1 ASN A 30 -54.234 76.546 8.591 1.00 0.00 O ATOM 474 ND2 ASN A 30 -55.728 74.984 9.010 1.00 0.00 N ATOM 0 H ASN A 30 -57.743 78.107 5.977 1.00 0.00 H new ATOM 0 HA ASN A 30 -55.133 78.410 6.982 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -57.022 77.381 8.220 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -57.020 76.024 7.111 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -55.084 74.482 9.621 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -56.669 74.623 8.854 1.00 0.00 H new ATOM 481 N GLY A 31 -53.606 76.796 5.890 1.00 0.00 N ATOM 482 CA GLY A 31 -52.643 76.091 5.106 1.00 0.00 C ATOM 483 C GLY A 31 -52.702 74.590 5.277 1.00 0.00 C ATOM 484 O GLY A 31 -53.780 74.001 5.387 1.00 0.00 O ATOM 0 H GLY A 31 -53.216 77.254 6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -52.795 76.334 4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -51.645 76.439 5.373 1.00 0.00 H new ATOM 488 N ASN A 32 -51.548 73.979 5.310 1.00 0.00 N ATOM 489 CA ASN A 32 -51.436 72.522 5.340 1.00 0.00 C ATOM 490 C ASN A 32 -51.596 71.936 6.754 1.00 0.00 C ATOM 491 O ASN A 32 -51.809 70.736 6.914 1.00 0.00 O ATOM 492 CB ASN A 32 -50.091 72.099 4.710 1.00 0.00 C ATOM 493 CG ASN A 32 -49.880 70.591 4.622 1.00 0.00 C ATOM 494 OD1 ASN A 32 -50.277 69.945 3.649 1.00 0.00 O ATOM 495 ND2 ASN A 32 -49.217 70.034 5.600 1.00 0.00 N ATOM 0 H ASN A 32 -50.652 74.466 5.317 1.00 0.00 H new ATOM 0 HA ASN A 32 -52.260 72.114 4.755 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -50.025 72.521 3.707 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -49.279 72.533 5.293 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -49.013 69.035 5.574 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -48.903 70.598 6.390 1.00 0.00 H new ATOM 502 N GLN A 33 -51.536 72.760 7.770 1.00 0.00 N ATOM 503 CA GLN A 33 -51.632 72.256 9.123 1.00 0.00 C ATOM 504 C GLN A 33 -52.940 72.673 9.779 1.00 0.00 C ATOM 505 O GLN A 33 -53.386 73.784 9.590 1.00 0.00 O ATOM 506 CB GLN A 33 -50.463 72.744 9.965 1.00 0.00 C ATOM 507 CG GLN A 33 -50.324 74.258 9.994 1.00 0.00 C ATOM 508 CD GLN A 33 -49.220 74.736 10.892 1.00 0.00 C ATOM 509 OE1 GLN A 33 -48.206 74.071 11.073 1.00 0.00 O ATOM 510 NE2 GLN A 33 -49.414 75.874 11.465 1.00 0.00 N ATOM 0 H GLN A 33 -51.423 73.771 7.692 1.00 0.00 H new ATOM 0 HA GLN A 33 -51.603 71.168 9.066 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -50.583 72.379 10.985 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -49.541 72.310 9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -50.141 74.619 8.982 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -51.266 74.696 10.323 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -50.272 76.395 11.287 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -48.709 76.254 12.097 1.00 0.00 H new ATOM 519 N PRO A 34 -53.583 71.775 10.522 1.00 0.00 N ATOM 520 CA PRO A 34 -54.775 72.110 11.293 1.00 0.00 C ATOM 521 C PRO A 34 -54.413 73.033 12.465 1.00 0.00 C ATOM 522 O PRO A 34 -53.322 72.914 13.046 1.00 0.00 O ATOM 523 CB PRO A 34 -55.271 70.761 11.808 1.00 0.00 C ATOM 524 CG PRO A 34 -54.077 69.869 11.780 1.00 0.00 C ATOM 525 CD PRO A 34 -53.216 70.358 10.653 1.00 0.00 C ATOM 0 HA PRO A 34 -55.525 72.637 10.704 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -55.674 70.849 12.817 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -56.070 70.369 11.179 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -53.539 69.909 12.727 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -54.370 68.831 11.624 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -52.156 70.238 10.878 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -53.411 69.807 9.733 1.00 0.00 H new ATOM 533 N ILE A 35 -55.294 73.938 12.815 1.00 0.00 N ATOM 534 CA ILE A 35 -54.968 74.896 13.849 1.00 0.00 C ATOM 535 C ILE A 35 -55.917 74.755 15.037 1.00 0.00 C ATOM 536 O ILE A 35 -57.111 74.603 14.858 1.00 0.00 O ATOM 537 CB ILE A 35 -55.026 76.357 13.338 1.00 0.00 C ATOM 538 CG1 ILE A 35 -54.470 76.468 11.894 1.00 0.00 C ATOM 539 CG2 ILE A 35 -54.246 77.258 14.294 1.00 0.00 C ATOM 540 CD1 ILE A 35 -54.114 77.872 11.455 1.00 0.00 C ATOM 0 H ILE A 35 -56.225 74.034 12.410 1.00 0.00 H new ATOM 0 HA ILE A 35 -53.946 74.678 14.157 1.00 0.00 H new ATOM 0 HB ILE A 35 -56.066 76.681 13.309 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -53.582 75.841 11.813 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -55.210 76.063 11.203 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -54.285 78.287 13.937 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -54.688 77.202 15.289 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -53.208 76.929 14.339 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -53.735 77.849 10.433 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -55.002 78.503 11.498 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -53.349 78.277 12.117 1.00 0.00 H new ATOM 552 N VAL A 36 -55.385 74.792 16.232 1.00 0.00 N ATOM 553 CA VAL A 36 -56.200 74.699 17.439 1.00 0.00 C ATOM 554 C VAL A 36 -56.911 76.031 17.680 1.00 0.00 C ATOM 555 O VAL A 36 -56.263 77.062 17.805 1.00 0.00 O ATOM 556 CB VAL A 36 -55.338 74.352 18.681 1.00 0.00 C ATOM 557 CG1 VAL A 36 -56.202 74.239 19.927 1.00 0.00 C ATOM 558 CG2 VAL A 36 -54.577 73.062 18.456 1.00 0.00 C ATOM 0 H VAL A 36 -54.384 74.886 16.406 1.00 0.00 H new ATOM 0 HA VAL A 36 -56.928 73.901 17.292 1.00 0.00 H new ATOM 0 HB VAL A 36 -54.622 75.161 18.830 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -55.574 73.995 20.784 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -56.708 75.188 20.106 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -56.944 73.453 19.785 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -53.978 72.835 19.338 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -55.282 72.250 18.277 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -53.923 73.172 17.591 1.00 0.00 H new ATOM 568 N THR A 37 -58.219 76.007 17.738 1.00 0.00 N ATOM 569 CA THR A 37 -58.984 77.213 17.929 1.00 0.00 C ATOM 570 C THR A 37 -59.511 77.290 19.372 1.00 0.00 C ATOM 571 O THR A 37 -59.617 76.258 20.049 1.00 0.00 O ATOM 572 CB THR A 37 -60.128 77.324 16.877 1.00 0.00 C ATOM 573 OG1 THR A 37 -61.043 76.219 16.974 1.00 0.00 O ATOM 574 CG2 THR A 37 -59.545 77.339 15.480 1.00 0.00 C ATOM 0 H THR A 37 -58.779 75.159 17.655 1.00 0.00 H new ATOM 0 HA THR A 37 -58.330 78.071 17.773 1.00 0.00 H new ATOM 0 HB THR A 37 -60.667 78.250 17.078 1.00 0.00 H new ATOM 0 HG1 THR A 37 -60.539 75.381 17.030 1.00 0.00 H new ATOM 0 HG21 THR A 37 -60.351 77.417 14.750 1.00 0.00 H new ATOM 0 HG22 THR A 37 -58.876 78.193 15.374 1.00 0.00 H new ATOM 0 HG23 THR A 37 -58.988 76.418 15.308 1.00 0.00 H new ATOM 582 N ARG A 38 -59.836 78.481 19.837 1.00 0.00 N ATOM 583 CA ARG A 38 -60.232 78.705 21.234 1.00 0.00 C ATOM 584 C ARG A 38 -61.552 79.443 21.269 1.00 0.00 C ATOM 585 O ARG A 38 -61.927 80.059 20.282 1.00 0.00 O ATOM 586 CB ARG A 38 -59.168 79.543 21.960 1.00 0.00 C ATOM 587 CG ARG A 38 -57.754 78.975 21.909 1.00 0.00 C ATOM 588 CD ARG A 38 -57.634 77.658 22.643 1.00 0.00 C ATOM 589 NE ARG A 38 -56.300 77.079 22.485 1.00 0.00 N ATOM 590 CZ ARG A 38 -55.745 76.157 23.279 1.00 0.00 C ATOM 591 NH1 ARG A 38 -56.305 75.832 24.448 1.00 0.00 N1+ ATOM 592 NH2 ARG A 38 -54.593 75.602 22.924 1.00 0.00 N ATOM 0 H ARG A 38 -59.836 79.326 19.266 1.00 0.00 H new ATOM 0 HA ARG A 38 -60.330 77.741 21.733 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -59.157 80.543 21.527 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -59.462 79.651 23.004 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -57.459 78.836 20.869 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -57.061 79.695 22.344 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -57.844 77.809 23.702 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -58.382 76.960 22.267 1.00 0.00 H new ATOM 0 HE ARG A 38 -55.742 77.409 21.697 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -57.167 76.289 24.745 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -55.870 75.127 25.043 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -54.140 75.880 22.053 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -54.161 74.898 23.522 1.00 0.00 H new ATOM 606 N ILE A 39 -62.250 79.397 22.393 1.00 0.00 N ATOM 607 CA ILE A 39 -63.557 80.035 22.489 1.00 0.00 C ATOM 608 C ILE A 39 -63.653 81.075 23.614 1.00 0.00 C ATOM 609 O ILE A 39 -63.099 80.899 24.713 1.00 0.00 O ATOM 610 CB ILE A 39 -64.710 78.986 22.603 1.00 0.00 C ATOM 611 CG1 ILE A 39 -64.720 78.121 21.353 1.00 0.00 C ATOM 612 CG2 ILE A 39 -66.072 79.657 22.790 1.00 0.00 C ATOM 613 CD1 ILE A 39 -65.830 77.105 21.288 1.00 0.00 C ATOM 0 H ILE A 39 -61.939 78.930 23.245 1.00 0.00 H new ATOM 0 HA ILE A 39 -63.679 80.581 21.553 1.00 0.00 H new ATOM 0 HB ILE A 39 -64.529 78.370 23.484 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -64.792 78.771 20.481 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -63.766 77.599 21.284 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -66.846 78.894 22.865 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -66.061 80.254 23.702 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -66.280 80.302 21.936 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -65.751 76.539 20.360 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -65.751 76.425 22.136 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -66.793 77.615 21.321 1.00 0.00 H new ATOM 625 N GLY A 40 -64.300 82.187 23.283 1.00 0.00 N ATOM 626 CA GLY A 40 -64.616 83.243 24.212 1.00 0.00 C ATOM 627 C GLY A 40 -63.567 84.310 24.247 1.00 0.00 C ATOM 628 O GLY A 40 -63.855 85.501 24.204 1.00 0.00 O ATOM 0 H GLY A 40 -64.624 82.375 22.334 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -65.573 83.688 23.939 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -64.734 82.821 25.210 1.00 0.00 H new ATOM 632 N SER A 41 -62.373 83.877 24.332 1.00 0.00 N ATOM 633 CA SER A 41 -61.220 84.729 24.488 1.00 0.00 C ATOM 634 C SER A 41 -60.050 84.236 23.627 1.00 0.00 C ATOM 635 O SER A 41 -59.954 83.039 23.342 1.00 0.00 O ATOM 636 CB SER A 41 -60.820 84.759 25.959 1.00 0.00 C ATOM 637 OG SER A 41 -61.897 85.211 26.779 1.00 0.00 O ATOM 0 H SER A 41 -62.141 82.884 24.296 1.00 0.00 H new ATOM 0 HA SER A 41 -61.474 85.735 24.155 1.00 0.00 H new ATOM 0 HB2 SER A 41 -60.513 83.762 26.275 1.00 0.00 H new ATOM 0 HB3 SER A 41 -59.959 85.415 26.091 1.00 0.00 H new ATOM 0 HG SER A 41 -61.613 85.219 27.717 1.00 0.00 H new ATOM 643 N PRO A 42 -59.157 85.139 23.194 1.00 0.00 N ATOM 644 CA PRO A 42 -57.972 84.772 22.451 1.00 0.00 C ATOM 645 C PRO A 42 -56.776 84.515 23.378 1.00 0.00 C ATOM 646 O PRO A 42 -55.954 85.400 23.610 1.00 0.00 O ATOM 647 CB PRO A 42 -57.713 85.995 21.571 1.00 0.00 C ATOM 648 CG PRO A 42 -58.360 87.155 22.280 1.00 0.00 C ATOM 649 CD PRO A 42 -59.244 86.599 23.371 1.00 0.00 C ATOM 0 HA PRO A 42 -58.106 83.849 21.887 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -56.644 86.163 21.440 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -58.138 85.858 20.577 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -57.602 87.815 22.702 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -58.947 87.750 21.580 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -58.897 86.902 24.359 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -60.270 86.952 23.271 1.00 0.00 H new ATOM 657 N PHE A 43 -56.726 83.338 23.955 1.00 0.00 N ATOM 658 CA PHE A 43 -55.643 82.957 24.846 1.00 0.00 C ATOM 659 C PHE A 43 -55.289 81.517 24.620 1.00 0.00 C ATOM 660 O PHE A 43 -56.115 80.738 24.146 1.00 0.00 O ATOM 661 CB PHE A 43 -56.016 83.128 26.330 1.00 0.00 C ATOM 662 CG PHE A 43 -56.223 84.541 26.800 1.00 0.00 C ATOM 663 CD1 PHE A 43 -55.139 85.345 27.111 1.00 0.00 C ATOM 664 CD2 PHE A 43 -57.493 85.056 26.952 1.00 0.00 C ATOM 665 CE1 PHE A 43 -55.325 86.637 27.561 1.00 0.00 C ATOM 666 CE2 PHE A 43 -57.688 86.348 27.398 1.00 0.00 C ATOM 667 CZ PHE A 43 -56.602 87.141 27.704 1.00 0.00 C ATOM 0 H PHE A 43 -57.432 82.614 23.824 1.00 0.00 H new ATOM 0 HA PHE A 43 -54.802 83.614 24.622 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -56.930 82.565 26.521 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -55.230 82.676 26.936 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -54.137 84.957 27.000 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -58.348 84.439 26.719 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -54.471 87.253 27.801 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -58.690 86.737 27.507 1.00 0.00 H new ATOM 0 HZ PHE A 43 -56.750 88.152 28.054 1.00 0.00 H new ATOM 677 N LEU A 44 -54.085 81.155 24.992 1.00 0.00 N ATOM 678 CA LEU A 44 -53.610 79.788 24.873 1.00 0.00 C ATOM 679 C LEU A 44 -54.215 78.952 25.983 1.00 0.00 C ATOM 680 O LEU A 44 -54.283 77.734 25.906 1.00 0.00 O ATOM 681 CB LEU A 44 -52.089 79.752 24.968 1.00 0.00 C ATOM 682 CG LEU A 44 -51.341 80.581 23.928 1.00 0.00 C ATOM 683 CD1 LEU A 44 -49.855 80.499 24.166 1.00 0.00 C ATOM 684 CD2 LEU A 44 -51.685 80.115 22.522 1.00 0.00 C ATOM 0 H LEU A 44 -53.400 81.799 25.388 1.00 0.00 H new ATOM 0 HA LEU A 44 -53.909 79.384 23.906 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -51.797 80.098 25.960 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -51.762 78.716 24.883 1.00 0.00 H new ATOM 0 HG LEU A 44 -51.651 81.621 24.026 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -49.333 81.095 23.417 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -49.624 80.882 25.160 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -49.532 79.461 24.093 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -51.141 80.719 21.795 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -51.404 79.068 22.407 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -52.757 80.224 22.355 1.00 0.00 H new ATOM 696 N ASN A 45 -54.651 79.630 27.021 1.00 0.00 N ATOM 697 CA ASN A 45 -55.273 78.987 28.161 1.00 0.00 C ATOM 698 C ASN A 45 -56.779 79.061 28.069 1.00 0.00 C ATOM 699 O ASN A 45 -57.490 78.780 29.033 1.00 0.00 O ATOM 700 CB ASN A 45 -54.780 79.589 29.481 1.00 0.00 C ATOM 701 CG ASN A 45 -53.322 79.295 29.743 1.00 0.00 C ATOM 702 OD1 ASN A 45 -52.436 80.062 29.355 1.00 0.00 O ATOM 703 ND2 ASN A 45 -53.054 78.187 30.374 1.00 0.00 N ATOM 0 H ASN A 45 -54.585 80.645 27.100 1.00 0.00 H new ATOM 0 HA ASN A 45 -54.981 77.937 28.145 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -54.932 80.668 29.463 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -55.380 79.196 30.302 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -52.085 77.929 30.562 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -53.813 77.578 30.680 1.00 0.00 H new ATOM 710 N ALA A 46 -57.269 79.423 26.913 1.00 0.00 N ATOM 711 CA ALA A 46 -58.690 79.445 26.680 1.00 0.00 C ATOM 712 C ALA A 46 -59.100 78.053 26.209 1.00 0.00 C ATOM 713 O ALA A 46 -58.267 77.335 25.649 1.00 0.00 O ATOM 714 CB ALA A 46 -59.041 80.508 25.640 1.00 0.00 C ATOM 0 H ALA A 46 -56.703 79.708 26.114 1.00 0.00 H new ATOM 0 HA ALA A 46 -59.228 79.701 27.593 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -60.118 80.513 25.474 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -58.725 81.487 25.999 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -58.531 80.283 24.703 1.00 0.00 H new ATOM 720 N PRO A 47 -60.349 77.630 26.456 1.00 0.00 N ATOM 721 CA PRO A 47 -60.829 76.304 26.054 1.00 0.00 C ATOM 722 C PRO A 47 -60.713 76.070 24.549 1.00 0.00 C ATOM 723 O PRO A 47 -60.982 76.982 23.739 1.00 0.00 O ATOM 724 CB PRO A 47 -62.308 76.300 26.475 1.00 0.00 C ATOM 725 CG PRO A 47 -62.652 77.732 26.685 1.00 0.00 C ATOM 726 CD PRO A 47 -61.393 78.384 27.163 1.00 0.00 C ATOM 0 HA PRO A 47 -60.239 75.513 26.516 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -62.936 75.852 25.705 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -62.458 75.720 27.386 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -63.004 78.190 25.761 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -63.451 77.839 27.418 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -61.366 79.445 26.913 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -61.284 78.309 28.245 1.00 0.00 H new ATOM 734 N VAL A 48 -60.295 74.873 24.186 1.00 0.00 N ATOM 735 CA VAL A 48 -60.187 74.482 22.798 1.00 0.00 C ATOM 736 C VAL A 48 -61.578 74.379 22.229 1.00 0.00 C ATOM 737 O VAL A 48 -62.396 73.590 22.694 1.00 0.00 O ATOM 738 CB VAL A 48 -59.480 73.104 22.626 1.00 0.00 C ATOM 739 CG1 VAL A 48 -59.374 72.676 21.150 1.00 0.00 C ATOM 740 CG2 VAL A 48 -58.120 73.084 23.295 1.00 0.00 C ATOM 0 H VAL A 48 -60.021 74.146 24.847 1.00 0.00 H new ATOM 0 HA VAL A 48 -59.589 75.232 22.280 1.00 0.00 H new ATOM 0 HB VAL A 48 -60.112 72.372 23.128 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -58.874 71.710 21.086 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -60.373 72.596 20.722 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -58.800 73.419 20.596 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -57.659 72.107 23.153 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -57.486 73.852 22.853 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -58.236 73.279 24.361 1.00 0.00 H new ATOM 750 N GLY A 49 -61.850 75.185 21.257 1.00 0.00 N ATOM 751 CA GLY A 49 -63.130 75.162 20.618 1.00 0.00 C ATOM 752 C GLY A 49 -63.191 74.059 19.626 1.00 0.00 C ATOM 753 O GLY A 49 -64.263 73.616 19.221 1.00 0.00 O ATOM 0 H GLY A 49 -61.198 75.875 20.883 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -63.914 75.033 21.364 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -63.314 76.116 20.123 1.00 0.00 H new ATOM 757 N GLY A 50 -62.041 73.625 19.250 1.00 0.00 N ATOM 758 CA GLY A 50 -61.882 72.593 18.316 1.00 0.00 C ATOM 759 C GLY A 50 -60.689 72.898 17.498 1.00 0.00 C ATOM 760 O GLY A 50 -59.994 73.890 17.761 1.00 0.00 O ATOM 0 H GLY A 50 -61.160 73.999 19.603 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -61.762 71.635 18.823 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -62.767 72.511 17.684 1.00 0.00 H new ATOM 764 N ASN A 51 -60.415 72.102 16.557 1.00 0.00 N ATOM 765 CA ASN A 51 -59.328 72.363 15.672 1.00 0.00 C ATOM 766 C ASN A 51 -59.856 72.655 14.313 1.00 0.00 C ATOM 767 O ASN A 51 -60.870 72.091 13.885 1.00 0.00 O ATOM 768 CB ASN A 51 -58.275 71.239 15.661 1.00 0.00 C ATOM 769 CG ASN A 51 -58.876 69.861 15.555 1.00 0.00 C ATOM 770 OD1 ASN A 51 -59.098 69.331 14.471 1.00 0.00 O ATOM 771 ND2 ASN A 51 -59.113 69.270 16.693 1.00 0.00 N ATOM 0 H ASN A 51 -60.929 71.243 16.362 1.00 0.00 H new ATOM 0 HA ASN A 51 -58.797 73.241 16.040 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -57.594 71.396 14.824 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -57.680 71.299 16.572 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -59.500 68.326 16.707 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -58.912 69.752 17.569 1.00 0.00 H new ATOM 778 N LEU A 52 -59.250 73.598 13.693 1.00 0.00 N ATOM 779 CA LEU A 52 -59.592 73.993 12.380 1.00 0.00 C ATOM 780 C LEU A 52 -58.868 73.107 11.419 1.00 0.00 C ATOM 781 O LEU A 52 -57.650 72.975 11.509 1.00 0.00 O ATOM 782 CB LEU A 52 -59.170 75.424 12.126 1.00 0.00 C ATOM 783 CG LEU A 52 -59.553 75.944 10.763 1.00 0.00 C ATOM 784 CD1 LEU A 52 -61.025 76.255 10.705 1.00 0.00 C ATOM 785 CD2 LEU A 52 -58.716 77.121 10.358 1.00 0.00 C ATOM 0 H LEU A 52 -58.480 74.131 14.097 1.00 0.00 H new ATOM 0 HA LEU A 52 -60.672 73.915 12.253 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -59.617 76.064 12.887 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -58.089 75.499 12.242 1.00 0.00 H new ATOM 0 HG LEU A 52 -59.351 75.156 10.038 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -61.279 76.629 9.713 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -61.596 75.350 10.909 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -61.267 77.012 11.451 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -59.025 77.464 9.371 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -58.848 77.927 11.080 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -57.666 76.828 10.329 1.00 0.00 H new ATOM 797 N PRO A 53 -59.591 72.483 10.509 1.00 0.00 N ATOM 798 CA PRO A 53 -58.997 71.636 9.510 1.00 0.00 C ATOM 799 C PRO A 53 -58.047 72.400 8.583 1.00 0.00 C ATOM 800 O PRO A 53 -58.163 73.628 8.403 1.00 0.00 O ATOM 801 CB PRO A 53 -60.169 71.112 8.702 1.00 0.00 C ATOM 802 CG PRO A 53 -61.391 71.830 9.152 1.00 0.00 C ATOM 803 CD PRO A 53 -61.062 72.544 10.410 1.00 0.00 C ATOM 0 HA PRO A 53 -58.400 70.853 9.978 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -60.001 71.274 7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -60.282 70.038 8.847 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -61.723 72.534 8.389 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -62.208 71.128 9.314 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -61.413 73.575 10.382 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -61.536 72.069 11.269 1.00 0.00 H new ATOM 811 N ALA A 54 -57.106 71.698 8.028 1.00 0.00 N ATOM 812 CA ALA A 54 -56.213 72.268 7.062 1.00 0.00 C ATOM 813 C ALA A 54 -56.985 72.502 5.771 1.00 0.00 C ATOM 814 O ALA A 54 -57.788 71.656 5.360 1.00 0.00 O ATOM 815 CB ALA A 54 -55.039 71.339 6.835 1.00 0.00 C ATOM 0 H ALA A 54 -56.934 70.713 8.231 1.00 0.00 H new ATOM 0 HA ALA A 54 -55.820 73.219 7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -54.364 71.778 6.100 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -54.506 71.191 7.774 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -55.401 70.379 6.467 1.00 0.00 H new ATOM 821 N GLY A 55 -56.796 73.655 5.175 1.00 0.00 N ATOM 822 CA GLY A 55 -57.519 73.993 3.964 1.00 0.00 C ATOM 823 C GLY A 55 -58.909 74.532 4.251 1.00 0.00 C ATOM 824 O GLY A 55 -59.756 74.635 3.347 1.00 0.00 O ATOM 0 H GLY A 55 -56.152 74.374 5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -56.953 74.736 3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -57.599 73.108 3.333 1.00 0.00 H new ATOM 828 N ALA A 56 -59.161 74.864 5.501 1.00 0.00 N ATOM 829 CA ALA A 56 -60.439 75.399 5.898 1.00 0.00 C ATOM 830 C ALA A 56 -60.534 76.852 5.559 1.00 0.00 C ATOM 831 O ALA A 56 -59.537 77.582 5.583 1.00 0.00 O ATOM 832 CB ALA A 56 -60.680 75.181 7.363 1.00 0.00 C ATOM 0 H ALA A 56 -58.488 74.770 6.262 1.00 0.00 H new ATOM 0 HA ALA A 56 -61.213 74.867 5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -61.651 75.594 7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -60.666 74.113 7.579 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -59.899 75.678 7.938 1.00 0.00 H new ATOM 838 N THR A 57 -61.716 77.258 5.232 1.00 0.00 N ATOM 839 CA THR A 57 -61.983 78.581 4.838 1.00 0.00 C ATOM 840 C THR A 57 -62.773 79.283 5.949 1.00 0.00 C ATOM 841 O THR A 57 -63.921 78.930 6.230 1.00 0.00 O ATOM 842 CB THR A 57 -62.799 78.531 3.558 1.00 0.00 C ATOM 843 OG1 THR A 57 -62.243 77.501 2.715 1.00 0.00 O ATOM 844 CG2 THR A 57 -62.675 79.822 2.841 1.00 0.00 C ATOM 0 H THR A 57 -62.538 76.654 5.235 1.00 0.00 H new ATOM 0 HA THR A 57 -61.060 79.133 4.665 1.00 0.00 H new ATOM 0 HB THR A 57 -63.845 78.333 3.792 1.00 0.00 H new ATOM 0 HG1 THR A 57 -62.755 77.449 1.881 1.00 0.00 H new ATOM 0 HG21 THR A 57 -63.261 79.786 1.922 1.00 0.00 H new ATOM 0 HG22 THR A 57 -63.045 80.628 3.476 1.00 0.00 H new ATOM 0 HG23 THR A 57 -61.628 80.004 2.597 1.00 0.00 H new ATOM 852 N ILE A 58 -62.138 80.214 6.596 1.00 0.00 N ATOM 853 CA ILE A 58 -62.715 80.943 7.704 1.00 0.00 C ATOM 854 C ILE A 58 -62.984 82.377 7.321 1.00 0.00 C ATOM 855 O ILE A 58 -62.152 83.016 6.725 1.00 0.00 O ATOM 856 CB ILE A 58 -61.738 80.931 8.919 1.00 0.00 C ATOM 857 CG1 ILE A 58 -61.668 79.549 9.554 1.00 0.00 C ATOM 858 CG2 ILE A 58 -62.110 81.984 9.963 1.00 0.00 C ATOM 859 CD1 ILE A 58 -62.927 79.167 10.306 1.00 0.00 C ATOM 0 H ILE A 58 -61.185 80.499 6.370 1.00 0.00 H new ATOM 0 HA ILE A 58 -63.653 80.457 7.971 1.00 0.00 H new ATOM 0 HB ILE A 58 -60.750 81.184 8.534 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -61.480 78.809 8.776 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -60.820 79.514 10.238 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -61.403 81.940 10.792 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -62.076 82.974 9.509 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -63.116 81.789 10.334 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -62.808 78.171 10.733 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -63.105 79.886 11.106 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -63.775 79.169 9.621 1.00 0.00 H new ATOM 871 N VAL A 59 -64.132 82.863 7.646 1.00 0.00 N ATOM 872 CA VAL A 59 -64.412 84.254 7.493 1.00 0.00 C ATOM 873 C VAL A 59 -64.392 84.848 8.877 1.00 0.00 C ATOM 874 O VAL A 59 -65.187 84.457 9.733 1.00 0.00 O ATOM 875 CB VAL A 59 -65.785 84.506 6.835 1.00 0.00 C ATOM 876 CG1 VAL A 59 -66.041 86.000 6.687 1.00 0.00 C ATOM 877 CG2 VAL A 59 -65.861 83.817 5.487 1.00 0.00 C ATOM 0 H VAL A 59 -64.903 82.312 8.024 1.00 0.00 H new ATOM 0 HA VAL A 59 -63.669 84.709 6.838 1.00 0.00 H new ATOM 0 HB VAL A 59 -66.558 84.088 7.480 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -67.014 86.158 6.221 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -66.029 86.470 7.670 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -65.264 86.442 6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -66.836 84.005 5.037 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -65.079 84.206 4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -65.723 82.744 5.619 1.00 0.00 H new ATOM 887 N TYR A 60 -63.485 85.744 9.116 1.00 0.00 N ATOM 888 CA TYR A 60 -63.363 86.336 10.420 1.00 0.00 C ATOM 889 C TYR A 60 -63.757 87.784 10.369 1.00 0.00 C ATOM 890 O TYR A 60 -63.821 88.372 9.288 1.00 0.00 O ATOM 891 CB TYR A 60 -61.947 86.154 11.008 1.00 0.00 C ATOM 892 CG TYR A 60 -60.830 86.781 10.195 1.00 0.00 C ATOM 893 CD1 TYR A 60 -60.119 86.041 9.261 1.00 0.00 C ATOM 894 CD2 TYR A 60 -60.489 88.111 10.367 1.00 0.00 C ATOM 895 CE1 TYR A 60 -59.104 86.618 8.524 1.00 0.00 C ATOM 896 CE2 TYR A 60 -59.483 88.689 9.639 1.00 0.00 C ATOM 897 CZ TYR A 60 -58.790 87.944 8.723 1.00 0.00 C ATOM 898 OH TYR A 60 -57.800 88.538 7.976 1.00 0.00 O ATOM 0 H TYR A 60 -62.815 86.085 8.426 1.00 0.00 H new ATOM 0 HA TYR A 60 -64.046 85.815 11.091 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -61.929 86.580 12.011 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -61.747 85.087 11.111 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -60.363 85.000 9.109 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -61.027 88.706 11.090 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -58.560 86.034 7.797 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -59.237 89.730 9.787 1.00 0.00 H new ATOM 0 HH TYR A 60 -57.763 89.495 8.184 1.00 0.00 H new ATOM 908 N ASP A 61 -64.016 88.352 11.519 1.00 0.00 N ATOM 909 CA ASP A 61 -64.435 89.739 11.606 1.00 0.00 C ATOM 910 C ASP A 61 -63.523 90.534 12.521 1.00 0.00 C ATOM 911 O ASP A 61 -63.714 91.741 12.715 1.00 0.00 O ATOM 912 CB ASP A 61 -65.881 89.846 12.106 1.00 0.00 C ATOM 913 CG ASP A 61 -66.084 89.345 13.537 1.00 0.00 C ATOM 914 OD1 ASP A 61 -66.543 88.183 13.725 1.00 0.00 O ATOM 915 OD2 ASP A 61 -65.845 90.109 14.509 1.00 0.00 O1- ATOM 0 H ASP A 61 -63.945 87.876 12.418 1.00 0.00 H new ATOM 0 HA ASP A 61 -64.374 90.157 10.601 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -66.198 90.887 12.048 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -66.528 89.278 11.438 1.00 0.00 H new ATOM 920 N GLU A 62 -62.501 89.895 13.039 1.00 0.00 N ATOM 921 CA GLU A 62 -61.653 90.550 13.990 1.00 0.00 C ATOM 922 C GLU A 62 -60.307 89.879 14.010 1.00 0.00 C ATOM 923 O GLU A 62 -60.202 88.698 13.684 1.00 0.00 O ATOM 924 CB GLU A 62 -62.291 90.416 15.354 1.00 0.00 C ATOM 925 CG GLU A 62 -61.660 91.226 16.452 1.00 0.00 C ATOM 926 CD GLU A 62 -62.337 90.929 17.766 1.00 0.00 C ATOM 927 OE1 GLU A 62 -61.724 90.337 18.651 1.00 0.00 O ATOM 928 OE2 GLU A 62 -63.540 91.238 17.903 1.00 0.00 O1- ATOM 0 H GLU A 62 -62.243 88.933 12.818 1.00 0.00 H new ATOM 0 HA GLU A 62 -61.527 91.599 13.724 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -63.340 90.702 15.274 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -62.268 89.365 15.644 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -60.597 90.995 16.521 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -61.741 92.289 16.224 1.00 0.00 H new ATOM 935 N VAL A 63 -59.295 90.620 14.363 1.00 0.00 N ATOM 936 CA VAL A 63 -57.973 90.082 14.548 1.00 0.00 C ATOM 937 C VAL A 63 -57.488 90.586 15.891 1.00 0.00 C ATOM 938 O VAL A 63 -57.731 91.742 16.229 1.00 0.00 O ATOM 939 CB VAL A 63 -56.969 90.556 13.458 1.00 0.00 C ATOM 940 CG1 VAL A 63 -55.688 89.756 13.504 1.00 0.00 C ATOM 941 CG2 VAL A 63 -57.571 90.524 12.077 1.00 0.00 C ATOM 0 H VAL A 63 -59.363 91.624 14.532 1.00 0.00 H new ATOM 0 HA VAL A 63 -58.024 88.995 14.486 1.00 0.00 H new ATOM 0 HB VAL A 63 -56.730 91.595 13.683 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -55.008 90.112 12.730 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -55.220 89.875 14.481 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -55.911 88.703 13.334 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -56.833 90.863 11.350 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -57.876 89.505 11.836 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -58.441 91.180 12.044 1.00 0.00 H new ATOM 951 N CYS A 64 -56.874 89.736 16.649 1.00 0.00 N ATOM 952 CA CYS A 64 -56.341 90.083 17.942 1.00 0.00 C ATOM 953 C CYS A 64 -54.880 89.703 18.046 1.00 0.00 C ATOM 954 O CYS A 64 -54.418 88.814 17.360 1.00 0.00 O ATOM 955 CB CYS A 64 -57.106 89.374 19.051 1.00 0.00 C ATOM 956 SG CYS A 64 -58.821 89.864 19.232 1.00 0.00 S ATOM 0 H CYS A 64 -56.722 88.761 16.389 1.00 0.00 H new ATOM 0 HA CYS A 64 -56.446 91.162 18.055 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -57.069 88.300 18.866 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -56.593 89.552 19.996 1.00 0.00 H new ATOM 0 HG CYS A 64 -59.517 88.856 19.667 1.00 0.00 H new ATOM 962 N ILE A 65 -54.170 90.408 18.872 1.00 0.00 N ATOM 963 CA ILE A 65 -52.806 90.106 19.207 1.00 0.00 C ATOM 964 C ILE A 65 -52.740 89.950 20.712 1.00 0.00 C ATOM 965 O ILE A 65 -52.949 90.922 21.464 1.00 0.00 O ATOM 966 CB ILE A 65 -51.820 91.216 18.736 1.00 0.00 C ATOM 967 CG1 ILE A 65 -51.902 91.373 17.209 1.00 0.00 C ATOM 968 CG2 ILE A 65 -50.388 90.888 19.175 1.00 0.00 C ATOM 969 CD1 ILE A 65 -50.992 92.432 16.628 1.00 0.00 C ATOM 0 H ILE A 65 -54.531 91.235 19.348 1.00 0.00 H new ATOM 0 HA ILE A 65 -52.502 89.192 18.696 1.00 0.00 H new ATOM 0 HB ILE A 65 -52.104 92.161 19.200 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -51.663 90.415 16.747 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -52.931 91.610 16.937 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -49.714 91.675 18.836 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -50.348 90.818 20.262 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -50.083 89.937 18.739 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -51.120 92.468 15.546 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -51.243 93.402 17.056 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -49.955 92.189 16.862 1.00 0.00 H new ATOM 981 N GLN A 66 -52.527 88.732 21.145 1.00 0.00 N ATOM 982 CA GLN A 66 -52.487 88.397 22.545 1.00 0.00 C ATOM 983 C GLN A 66 -51.743 87.086 22.714 1.00 0.00 C ATOM 984 O GLN A 66 -51.776 86.230 21.812 1.00 0.00 O ATOM 985 CB GLN A 66 -53.919 88.271 23.098 1.00 0.00 C ATOM 986 CG GLN A 66 -54.001 87.917 24.573 1.00 0.00 C ATOM 987 CD GLN A 66 -53.391 88.970 25.473 1.00 0.00 C ATOM 988 OE1 GLN A 66 -52.198 88.932 25.773 1.00 0.00 O ATOM 989 NE2 GLN A 66 -54.180 89.911 25.901 1.00 0.00 N ATOM 0 H GLN A 66 -52.375 87.936 20.526 1.00 0.00 H new ATOM 0 HA GLN A 66 -51.972 89.183 23.098 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -54.441 89.214 22.935 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -54.449 87.510 22.526 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -55.046 87.774 24.848 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -53.494 86.967 24.741 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -55.164 89.912 25.633 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -53.815 90.648 26.505 1.00 0.00 H new ATOM 998 N ALA A 67 -51.038 86.949 23.836 1.00 0.00 N ATOM 999 CA ALA A 67 -50.286 85.745 24.186 1.00 0.00 C ATOM 1000 C ALA A 67 -49.198 85.480 23.144 1.00 0.00 C ATOM 1001 O ALA A 67 -48.825 84.322 22.873 1.00 0.00 O ATOM 1002 CB ALA A 67 -51.228 84.538 24.333 1.00 0.00 C ATOM 0 H ALA A 67 -50.972 87.685 24.540 1.00 0.00 H new ATOM 0 HA ALA A 67 -49.801 85.902 25.149 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -50.647 83.653 24.594 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -51.956 84.738 25.119 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -51.749 84.366 23.391 1.00 0.00 H new ATOM 1008 N GLY A 68 -48.700 86.560 22.549 1.00 0.00 N ATOM 1009 CA GLY A 68 -47.662 86.475 21.536 1.00 0.00 C ATOM 1010 C GLY A 68 -48.151 85.863 20.232 1.00 0.00 C ATOM 1011 O GLY A 68 -47.361 85.491 19.372 1.00 0.00 O ATOM 0 H GLY A 68 -49.005 87.511 22.756 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -47.273 87.474 21.338 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -46.834 85.880 21.922 1.00 0.00 H new ATOM 1015 N HIS A 69 -49.438 85.707 20.106 1.00 0.00 N ATOM 1016 CA HIS A 69 -50.027 85.146 18.917 1.00 0.00 C ATOM 1017 C HIS A 69 -50.976 86.129 18.297 1.00 0.00 C ATOM 1018 O HIS A 69 -51.503 87.003 18.987 1.00 0.00 O ATOM 1019 CB HIS A 69 -50.773 83.841 19.228 1.00 0.00 C ATOM 1020 CG HIS A 69 -49.905 82.669 19.578 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -49.290 82.503 20.804 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -49.570 81.579 18.851 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -48.631 81.368 20.804 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -48.788 80.799 19.639 1.00 0.00 N ATOM 0 H HIS A 69 -50.113 85.965 20.826 1.00 0.00 H new ATOM 0 HA HIS A 69 -49.220 84.925 18.218 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -51.459 84.023 20.056 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -51.381 83.575 18.363 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -49.340 83.158 21.584 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -49.869 81.369 17.835 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -48.056 80.972 21.628 1.00 0.00 H new ATOM 1033 N ILE A 70 -51.169 86.009 17.017 1.00 0.00 N ATOM 1034 CA ILE A 70 -52.178 86.773 16.336 1.00 0.00 C ATOM 1035 C ILE A 70 -53.357 85.852 16.116 1.00 0.00 C ATOM 1036 O ILE A 70 -53.179 84.702 15.676 1.00 0.00 O ATOM 1037 CB ILE A 70 -51.687 87.358 14.990 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -50.454 88.227 15.227 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -52.792 88.155 14.320 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -50.003 89.045 14.033 1.00 0.00 C ATOM 0 H ILE A 70 -50.635 85.382 16.415 1.00 0.00 H new ATOM 0 HA ILE A 70 -52.449 87.634 16.947 1.00 0.00 H new ATOM 0 HB ILE A 70 -51.415 86.540 14.323 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -50.661 88.905 16.055 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -49.631 87.585 15.539 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -52.428 88.558 13.375 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -53.647 87.505 14.132 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -53.096 88.974 14.971 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -49.122 89.627 14.303 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -49.758 88.378 13.206 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -50.804 89.719 13.730 1.00 0.00 H new ATOM 1052 N TRP A 71 -54.524 86.328 16.420 1.00 0.00 N ATOM 1053 CA TRP A 71 -55.714 85.524 16.418 1.00 0.00 C ATOM 1054 C TRP A 71 -56.741 86.154 15.546 1.00 0.00 C ATOM 1055 O TRP A 71 -56.788 87.359 15.428 1.00 0.00 O ATOM 1056 CB TRP A 71 -56.318 85.464 17.822 1.00 0.00 C ATOM 1057 CG TRP A 71 -55.415 84.975 18.900 1.00 0.00 C ATOM 1058 CD1 TRP A 71 -54.457 85.690 19.550 1.00 0.00 C ATOM 1059 CD2 TRP A 71 -55.420 83.681 19.485 1.00 0.00 C ATOM 1060 NE1 TRP A 71 -53.849 84.909 20.492 1.00 0.00 N ATOM 1061 CE2 TRP A 71 -54.424 83.669 20.476 1.00 0.00 C ATOM 1062 CE3 TRP A 71 -56.170 82.528 19.262 1.00 0.00 C ATOM 1063 CZ2 TRP A 71 -54.159 82.546 21.246 1.00 0.00 C ATOM 1064 CZ3 TRP A 71 -55.908 81.415 20.027 1.00 0.00 C ATOM 1065 CH2 TRP A 71 -54.912 81.429 21.007 1.00 0.00 C ATOM 0 H TRP A 71 -54.683 87.301 16.681 1.00 0.00 H new ATOM 0 HA TRP A 71 -55.443 84.528 16.067 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -56.664 86.462 18.090 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -57.197 84.820 17.791 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -54.213 86.723 19.351 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -53.090 85.203 21.107 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -56.940 82.509 18.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -53.389 82.553 22.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -56.482 80.514 19.867 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -54.732 80.537 21.589 1.00 0.00 H new ATOM 1076 N ILE A 72 -57.540 85.359 14.940 1.00 0.00 N ATOM 1077 CA ILE A 72 -58.672 85.850 14.225 1.00 0.00 C ATOM 1078 C ILE A 72 -59.919 85.525 15.011 1.00 0.00 C ATOM 1079 O ILE A 72 -60.039 84.427 15.570 1.00 0.00 O ATOM 1080 CB ILE A 72 -58.787 85.281 12.804 1.00 0.00 C ATOM 1081 CG1 ILE A 72 -58.790 83.749 12.830 1.00 0.00 C ATOM 1082 CG2 ILE A 72 -57.655 85.820 11.936 1.00 0.00 C ATOM 1083 CD1 ILE A 72 -59.212 83.120 11.531 1.00 0.00 C ATOM 0 H ILE A 72 -57.433 84.345 14.921 1.00 0.00 H new ATOM 0 HA ILE A 72 -58.548 86.927 14.113 1.00 0.00 H new ATOM 0 HB ILE A 72 -59.734 85.601 12.370 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -57.790 83.397 13.085 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -59.459 83.410 13.621 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -57.743 85.412 10.929 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -57.715 86.908 11.894 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -56.697 85.526 12.364 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -59.189 82.035 11.628 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -60.224 83.441 11.283 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -58.530 83.428 10.739 1.00 0.00 H new ATOM 1095 N GLY A 73 -60.802 86.464 15.091 1.00 0.00 N ATOM 1096 CA GLY A 73 -62.012 86.283 15.819 1.00 0.00 C ATOM 1097 C GLY A 73 -63.175 86.129 14.896 1.00 0.00 C ATOM 1098 O GLY A 73 -63.406 86.982 14.024 1.00 0.00 O ATOM 0 H GLY A 73 -60.704 87.380 14.653 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -61.929 85.402 16.455 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -62.176 87.137 16.477 1.00 0.00 H new ATOM 1102 N TYR A 74 -63.879 85.049 15.037 1.00 0.00 N ATOM 1103 CA TYR A 74 -65.043 84.799 14.241 1.00 0.00 C ATOM 1104 C TYR A 74 -66.133 84.208 15.094 1.00 0.00 C ATOM 1105 O TYR A 74 -65.862 83.610 16.143 1.00 0.00 O ATOM 1106 CB TYR A 74 -64.721 83.918 13.012 1.00 0.00 C ATOM 1107 CG TYR A 74 -64.034 82.602 13.299 1.00 0.00 C ATOM 1108 CD1 TYR A 74 -64.752 81.423 13.409 1.00 0.00 C ATOM 1109 CD2 TYR A 74 -62.656 82.549 13.442 1.00 0.00 C ATOM 1110 CE1 TYR A 74 -64.113 80.221 13.658 1.00 0.00 C ATOM 1111 CE2 TYR A 74 -62.008 81.362 13.691 1.00 0.00 C ATOM 1112 CZ TYR A 74 -62.737 80.198 13.799 1.00 0.00 C ATOM 1113 OH TYR A 74 -62.087 79.000 14.047 1.00 0.00 O ATOM 0 H TYR A 74 -63.663 84.313 15.709 1.00 0.00 H new ATOM 0 HA TYR A 74 -65.401 85.750 13.846 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -65.652 83.711 12.485 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -64.091 84.493 12.333 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -65.826 81.442 13.299 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -62.080 83.458 13.356 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -64.684 79.308 13.742 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -60.934 81.342 13.801 1.00 0.00 H new ATOM 0 HH TYR A 74 -61.343 78.895 13.417 1.00 0.00 H new ATOM 1123 N ASN A 75 -67.347 84.425 14.702 1.00 0.00 N ATOM 1124 CA ASN A 75 -68.472 83.908 15.433 1.00 0.00 C ATOM 1125 C ASN A 75 -68.887 82.615 14.824 1.00 0.00 C ATOM 1126 O ASN A 75 -69.194 82.544 13.632 1.00 0.00 O ATOM 1127 CB ASN A 75 -69.621 84.908 15.452 1.00 0.00 C ATOM 1128 CG ASN A 75 -70.861 84.421 16.185 1.00 0.00 C ATOM 1129 OD1 ASN A 75 -70.963 84.546 17.391 1.00 0.00 O ATOM 1130 ND2 ASN A 75 -71.818 83.921 15.466 1.00 0.00 N ATOM 0 H ASN A 75 -67.592 84.963 13.871 1.00 0.00 H new ATOM 0 HA ASN A 75 -68.185 83.739 16.471 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -69.276 85.831 15.918 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -69.892 85.152 14.425 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -72.686 83.620 15.910 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -71.703 83.829 14.457 1.00 0.00 H new ATOM 1137 N ALA A 76 -68.886 81.605 15.629 1.00 0.00 N ATOM 1138 CA ALA A 76 -69.179 80.260 15.184 1.00 0.00 C ATOM 1139 C ALA A 76 -70.643 80.089 14.837 1.00 0.00 C ATOM 1140 O ALA A 76 -71.471 80.978 15.079 1.00 0.00 O ATOM 1141 CB ALA A 76 -68.774 79.245 16.234 1.00 0.00 C ATOM 0 H ALA A 76 -68.681 81.678 16.626 1.00 0.00 H new ATOM 0 HA ALA A 76 -68.596 80.088 14.279 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -69.004 78.241 15.877 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -67.704 79.326 16.425 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -69.323 79.437 17.156 1.00 0.00 H new ATOM 1147 N TYR A 77 -70.963 78.931 14.326 1.00 0.00 N ATOM 1148 CA TYR A 77 -72.303 78.604 13.899 1.00 0.00 C ATOM 1149 C TYR A 77 -73.242 78.599 15.111 1.00 0.00 C ATOM 1150 O TYR A 77 -74.407 78.964 15.014 1.00 0.00 O ATOM 1151 CB TYR A 77 -72.278 77.232 13.234 1.00 0.00 C ATOM 1152 CG TYR A 77 -73.437 76.947 12.331 1.00 0.00 C ATOM 1153 CD1 TYR A 77 -73.370 77.299 10.998 1.00 0.00 C ATOM 1154 CD2 TYR A 77 -74.583 76.323 12.792 1.00 0.00 C ATOM 1155 CE1 TYR A 77 -74.407 77.043 10.141 1.00 0.00 C ATOM 1156 CE2 TYR A 77 -75.636 76.061 11.936 1.00 0.00 C ATOM 1157 CZ TYR A 77 -75.538 76.425 10.610 1.00 0.00 C ATOM 1158 OH TYR A 77 -76.579 76.167 9.748 1.00 0.00 O ATOM 0 H TYR A 77 -70.292 78.174 14.191 1.00 0.00 H new ATOM 0 HA TYR A 77 -72.667 79.345 13.187 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -71.357 77.140 12.658 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -72.246 76.468 14.011 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -72.482 77.786 10.623 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -74.655 76.038 13.831 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -74.335 77.326 9.101 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -76.528 75.575 12.303 1.00 0.00 H new ATOM 0 HH TYR A 77 -77.305 75.724 10.235 1.00 0.00 H new ATOM 1168 N ASN A 78 -72.698 78.222 16.259 1.00 0.00 N ATOM 1169 CA ASN A 78 -73.463 78.182 17.507 1.00 0.00 C ATOM 1170 C ASN A 78 -73.347 79.531 18.265 1.00 0.00 C ATOM 1171 O ASN A 78 -73.834 79.688 19.381 1.00 0.00 O ATOM 1172 CB ASN A 78 -72.966 77.018 18.389 1.00 0.00 C ATOM 1173 CG ASN A 78 -73.851 76.750 19.596 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -75.057 76.946 19.554 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -73.263 76.301 20.671 1.00 0.00 N ATOM 0 H ASN A 78 -71.724 77.937 16.357 1.00 0.00 H new ATOM 0 HA ASN A 78 -74.514 78.019 17.269 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -72.907 76.113 17.784 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -71.955 77.238 18.732 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -73.812 76.103 21.508 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -72.255 76.148 20.674 1.00 0.00 H new ATOM 1182 N GLY A 79 -72.678 80.503 17.658 1.00 0.00 N ATOM 1183 CA GLY A 79 -72.580 81.814 18.284 1.00 0.00 C ATOM 1184 C GLY A 79 -71.415 81.949 19.246 1.00 0.00 C ATOM 1185 O GLY A 79 -71.338 82.919 20.001 1.00 0.00 O ATOM 0 H GLY A 79 -72.207 80.414 16.758 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -72.486 82.571 17.506 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -73.507 82.021 18.819 1.00 0.00 H new ATOM 1189 N ASN A 80 -70.561 80.958 19.269 1.00 0.00 N ATOM 1190 CA ASN A 80 -69.372 80.967 20.126 1.00 0.00 C ATOM 1191 C ASN A 80 -68.325 81.896 19.526 1.00 0.00 C ATOM 1192 O ASN A 80 -68.216 81.986 18.294 1.00 0.00 O ATOM 1193 CB ASN A 80 -68.774 79.553 20.219 1.00 0.00 C ATOM 1194 CG ASN A 80 -69.688 78.507 20.848 1.00 0.00 C ATOM 1195 OD1 ASN A 80 -69.672 77.349 20.443 1.00 0.00 O ATOM 1196 ND2 ASN A 80 -70.445 78.874 21.852 1.00 0.00 N ATOM 0 H ASN A 80 -70.657 80.117 18.700 1.00 0.00 H new ATOM 0 HA ASN A 80 -69.659 81.309 21.120 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -68.504 79.222 19.216 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -67.851 79.602 20.797 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -71.041 78.190 22.318 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -70.438 79.844 22.168 1.00 0.00 H new ATOM 1203 N ARG A 81 -67.572 82.589 20.360 1.00 0.00 N ATOM 1204 CA ARG A 81 -66.520 83.458 19.869 1.00 0.00 C ATOM 1205 C ARG A 81 -65.298 82.621 19.677 1.00 0.00 C ATOM 1206 O ARG A 81 -64.628 82.286 20.635 1.00 0.00 O ATOM 1207 CB ARG A 81 -66.200 84.601 20.853 1.00 0.00 C ATOM 1208 CG ARG A 81 -65.380 85.743 20.226 1.00 0.00 C ATOM 1209 CD ARG A 81 -66.036 86.272 18.942 1.00 0.00 C ATOM 1210 NE ARG A 81 -65.411 87.505 18.435 1.00 0.00 N ATOM 1211 CZ ARG A 81 -65.574 88.002 17.196 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -66.301 87.345 16.295 1.00 0.00 N1+ ATOM 1213 NH2 ARG A 81 -65.026 89.152 16.861 1.00 0.00 N ATOM 0 H ARG A 81 -67.669 82.567 21.375 1.00 0.00 H new ATOM 0 HA ARG A 81 -66.850 83.917 18.937 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -67.134 85.007 21.242 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -65.651 84.195 21.703 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -65.279 86.556 20.945 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -64.374 85.389 20.002 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -65.983 85.503 18.172 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -67.093 86.460 19.133 1.00 0.00 H new ATOM 0 HE ARG A 81 -64.807 88.023 19.073 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -66.739 86.458 16.542 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -66.420 87.729 15.357 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -64.474 89.672 17.543 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -65.154 89.523 15.919 1.00 0.00 H new ATOM 1227 N VAL A 82 -65.020 82.257 18.483 1.00 0.00 N ATOM 1228 CA VAL A 82 -63.913 81.388 18.255 1.00 0.00 C ATOM 1229 C VAL A 82 -62.749 82.168 17.729 1.00 0.00 C ATOM 1230 O VAL A 82 -62.879 82.970 16.794 1.00 0.00 O ATOM 1231 CB VAL A 82 -64.252 80.212 17.306 1.00 0.00 C ATOM 1232 CG1 VAL A 82 -63.106 79.221 17.233 1.00 0.00 C ATOM 1233 CG2 VAL A 82 -65.514 79.514 17.743 1.00 0.00 C ATOM 0 H VAL A 82 -65.534 82.540 17.649 1.00 0.00 H new ATOM 0 HA VAL A 82 -63.653 80.944 19.216 1.00 0.00 H new ATOM 0 HB VAL A 82 -64.411 80.628 16.311 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -63.372 78.406 16.560 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -62.214 79.724 16.860 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -62.908 78.820 18.227 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -65.730 78.692 17.060 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -65.383 79.123 18.752 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -66.343 80.221 17.733 1.00 0.00 H new ATOM 1243 N TYR A 83 -61.647 81.972 18.356 1.00 0.00 N ATOM 1244 CA TYR A 83 -60.424 82.584 17.971 1.00 0.00 C ATOM 1245 C TYR A 83 -59.482 81.539 17.444 1.00 0.00 C ATOM 1246 O TYR A 83 -59.366 80.453 18.010 1.00 0.00 O ATOM 1247 CB TYR A 83 -59.786 83.344 19.129 1.00 0.00 C ATOM 1248 CG TYR A 83 -60.441 84.665 19.458 1.00 0.00 C ATOM 1249 CD1 TYR A 83 -61.462 84.762 20.391 1.00 0.00 C ATOM 1250 CD2 TYR A 83 -60.003 85.830 18.847 1.00 0.00 C ATOM 1251 CE1 TYR A 83 -62.024 85.987 20.703 1.00 0.00 C ATOM 1252 CE2 TYR A 83 -60.564 87.050 19.146 1.00 0.00 C ATOM 1253 CZ TYR A 83 -61.570 87.128 20.073 1.00 0.00 C ATOM 1254 OH TYR A 83 -62.108 88.358 20.402 1.00 0.00 O ATOM 0 H TYR A 83 -61.566 81.366 19.173 1.00 0.00 H new ATOM 0 HA TYR A 83 -60.637 83.309 17.186 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -59.810 82.712 20.017 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -58.737 83.523 18.893 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -61.823 83.870 20.881 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -59.205 85.779 18.121 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -62.814 86.050 21.436 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -60.213 87.944 18.652 1.00 0.00 H new ATOM 0 HH TYR A 83 -61.813 89.029 19.751 1.00 0.00 H new ATOM 1264 N CYS A 84 -58.862 81.841 16.357 1.00 0.00 N ATOM 1265 CA CYS A 84 -57.904 80.959 15.758 1.00 0.00 C ATOM 1266 C CYS A 84 -56.595 81.697 15.625 1.00 0.00 C ATOM 1267 O CYS A 84 -56.576 82.810 15.105 1.00 0.00 O ATOM 1268 CB CYS A 84 -58.388 80.507 14.366 1.00 0.00 C ATOM 1269 SG CYS A 84 -57.279 79.359 13.509 1.00 0.00 S ATOM 0 H CYS A 84 -59.002 82.714 15.849 1.00 0.00 H new ATOM 0 HA CYS A 84 -57.779 80.075 16.383 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -59.365 80.035 14.473 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -58.527 81.389 13.741 1.00 0.00 H new ATOM 0 HG CYS A 84 -56.049 79.756 13.650 1.00 0.00 H new ATOM 1275 N PRO A 85 -55.496 81.140 16.126 1.00 0.00 N ATOM 1276 CA PRO A 85 -54.203 81.740 15.942 1.00 0.00 C ATOM 1277 C PRO A 85 -53.784 81.537 14.499 1.00 0.00 C ATOM 1278 O PRO A 85 -53.883 80.439 13.966 1.00 0.00 O ATOM 1279 CB PRO A 85 -53.290 80.986 16.912 1.00 0.00 C ATOM 1280 CG PRO A 85 -53.951 79.667 17.119 1.00 0.00 C ATOM 1281 CD PRO A 85 -55.428 79.878 16.884 1.00 0.00 C ATOM 0 HA PRO A 85 -54.175 82.812 16.137 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -52.289 80.865 16.498 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -53.183 81.526 17.853 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -53.552 78.922 16.430 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -53.769 79.297 18.128 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -55.864 79.052 16.322 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -55.975 79.948 17.824 1.00 0.00 H new ATOM 1289 N VAL A 86 -53.400 82.584 13.854 1.00 0.00 N ATOM 1290 CA VAL A 86 -53.064 82.498 12.448 1.00 0.00 C ATOM 1291 C VAL A 86 -51.603 82.735 12.190 1.00 0.00 C ATOM 1292 O VAL A 86 -51.127 82.534 11.070 1.00 0.00 O ATOM 1293 CB VAL A 86 -53.917 83.459 11.603 1.00 0.00 C ATOM 1294 CG1 VAL A 86 -55.356 83.013 11.624 1.00 0.00 C ATOM 1295 CG2 VAL A 86 -53.797 84.893 12.113 1.00 0.00 C ATOM 0 H VAL A 86 -53.306 83.514 14.263 1.00 0.00 H new ATOM 0 HA VAL A 86 -53.290 81.476 12.145 1.00 0.00 H new ATOM 0 HB VAL A 86 -53.549 83.438 10.577 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -55.957 83.696 11.024 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -55.431 82.007 11.212 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -55.722 83.013 12.651 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -54.410 85.551 11.497 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -54.139 84.941 13.147 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -52.756 85.212 12.060 1.00 0.00 H new ATOM 1305 N ARG A 87 -50.899 83.169 13.228 1.00 0.00 N ATOM 1306 CA ARG A 87 -49.479 83.453 13.171 1.00 0.00 C ATOM 1307 C ARG A 87 -49.030 83.928 14.530 1.00 0.00 C ATOM 1308 O ARG A 87 -49.867 84.200 15.404 1.00 0.00 O ATOM 1309 CB ARG A 87 -49.174 84.502 12.072 1.00 0.00 C ATOM 1310 CG ARG A 87 -49.872 85.834 12.227 1.00 0.00 C ATOM 1311 CD ARG A 87 -49.932 86.594 10.905 1.00 0.00 C ATOM 1312 NE ARG A 87 -48.614 86.779 10.284 1.00 0.00 N ATOM 1313 CZ ARG A 87 -48.330 87.680 9.331 1.00 0.00 C ATOM 1314 NH1 ARG A 87 -49.268 88.515 8.880 1.00 0.00 N1+ ATOM 1315 NH2 ARG A 87 -47.099 87.741 8.848 1.00 0.00 N ATOM 0 H ARG A 87 -51.310 83.335 14.147 1.00 0.00 H new ATOM 0 HA ARG A 87 -48.928 82.550 12.909 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -48.098 84.676 12.050 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -49.448 84.079 11.105 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -50.883 85.674 12.602 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -49.348 86.436 12.970 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -50.580 86.056 10.213 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -50.387 87.570 11.075 1.00 0.00 H new ATOM 0 HE ARG A 87 -47.855 86.176 10.602 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -50.214 88.473 9.260 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -49.039 89.195 8.155 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -46.381 87.108 9.200 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -46.869 88.421 8.123 1.00 0.00 H new ATOM 1329 N THR A 88 -47.754 83.986 14.736 1.00 0.00 N ATOM 1330 CA THR A 88 -47.204 84.460 15.971 1.00 0.00 C ATOM 1331 C THR A 88 -46.976 85.968 15.876 1.00 0.00 C ATOM 1332 O THR A 88 -47.133 86.549 14.790 1.00 0.00 O ATOM 1333 CB THR A 88 -45.876 83.738 16.256 1.00 0.00 C ATOM 1334 OG1 THR A 88 -45.033 83.812 15.088 1.00 0.00 O ATOM 1335 CG2 THR A 88 -46.117 82.279 16.615 1.00 0.00 C ATOM 0 H THR A 88 -47.056 83.704 14.048 1.00 0.00 H new ATOM 0 HA THR A 88 -47.898 84.254 16.786 1.00 0.00 H new ATOM 0 HB THR A 88 -45.389 84.226 17.101 1.00 0.00 H new ATOM 0 HG1 THR A 88 -44.185 83.354 15.267 1.00 0.00 H new ATOM 0 HG21 THR A 88 -45.163 81.790 16.812 1.00 0.00 H new ATOM 0 HG22 THR A 88 -46.744 82.222 17.505 1.00 0.00 H new ATOM 0 HG23 THR A 88 -46.617 81.778 15.786 1.00 0.00 H new ATOM 1343 N CYS A 89 -46.643 86.594 16.978 1.00 0.00 N ATOM 1344 CA CYS A 89 -46.353 87.994 17.003 1.00 0.00 C ATOM 1345 C CYS A 89 -45.423 88.304 18.148 1.00 0.00 C ATOM 1346 O CYS A 89 -45.646 87.890 19.297 1.00 0.00 O ATOM 1347 CB CYS A 89 -47.626 88.826 17.144 1.00 0.00 C ATOM 1348 SG CYS A 89 -47.367 90.608 17.039 1.00 0.00 S ATOM 0 H CYS A 89 -46.567 86.136 17.886 1.00 0.00 H new ATOM 0 HA CYS A 89 -45.878 88.253 16.057 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -48.329 88.527 16.367 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -48.092 88.595 18.102 1.00 0.00 H new ATOM 0 HG CYS A 89 -47.167 91.088 18.230 1.00 0.00 H new ATOM 1354 N GLN A 90 -44.374 88.961 17.837 1.00 0.00 N ATOM 1355 CA GLN A 90 -43.467 89.439 18.814 1.00 0.00 C ATOM 1356 C GLN A 90 -43.836 90.841 19.185 1.00 0.00 C ATOM 1357 O GLN A 90 -43.761 91.757 18.356 1.00 0.00 O ATOM 1358 CB GLN A 90 -42.054 89.384 18.313 1.00 0.00 C ATOM 1359 CG GLN A 90 -41.350 88.075 18.522 1.00 0.00 C ATOM 1360 CD GLN A 90 -39.868 88.159 18.216 1.00 0.00 C ATOM 1361 OE1 GLN A 90 -39.265 89.286 18.509 1.00 0.00 O flip ATOM 1362 NE2 GLN A 90 -39.257 87.189 17.773 1.00 0.00 N flip ATOM 0 H GLN A 90 -44.113 89.188 16.878 1.00 0.00 H new ATOM 0 HA GLN A 90 -43.529 88.800 19.695 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -42.055 89.611 17.247 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -41.480 90.169 18.806 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -41.487 87.753 19.554 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -41.806 87.315 17.888 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -39.757 86.327 17.556 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -38.250 87.246 17.623 1.00 0.00 H new ATOM 1371 N GLY A 91 -44.282 90.991 20.396 1.00 0.00 N ATOM 1372 CA GLY A 91 -44.668 92.263 20.900 1.00 0.00 C ATOM 1373 C GLY A 91 -46.030 92.691 20.441 1.00 0.00 C ATOM 1374 O GLY A 91 -46.639 92.086 19.543 1.00 0.00 O ATOM 0 H GLY A 91 -44.387 90.226 21.062 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -44.651 92.236 21.990 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -43.936 93.008 20.588 1.00 0.00 H new ATOM 1378 N VAL A 92 -46.520 93.701 21.074 1.00 0.00 N ATOM 1379 CA VAL A 92 -47.767 94.298 20.722 1.00 0.00 C ATOM 1380 C VAL A 92 -47.508 95.518 19.854 1.00 0.00 C ATOM 1381 O VAL A 92 -46.402 96.087 19.903 1.00 0.00 O ATOM 1382 CB VAL A 92 -48.605 94.678 21.974 1.00 0.00 C ATOM 1383 CG1 VAL A 92 -49.073 93.428 22.676 1.00 0.00 C ATOM 1384 CG2 VAL A 92 -47.826 95.575 22.935 1.00 0.00 C ATOM 0 H VAL A 92 -46.058 94.146 21.867 1.00 0.00 H new ATOM 0 HA VAL A 92 -48.353 93.568 20.164 1.00 0.00 H new ATOM 0 HB VAL A 92 -49.471 95.248 21.636 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -49.660 93.701 23.553 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -49.688 92.838 21.997 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -48.209 92.840 22.986 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -48.451 95.815 23.795 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -46.929 95.055 23.272 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -47.542 96.495 22.424 1.00 0.00 H new ATOM 1394 N PRO A 93 -48.491 95.928 19.033 1.00 0.00 N ATOM 1395 CA PRO A 93 -48.347 97.087 18.149 1.00 0.00 C ATOM 1396 C PRO A 93 -48.128 98.403 18.956 1.00 0.00 C ATOM 1397 O PRO A 93 -48.311 98.413 20.182 1.00 0.00 O ATOM 1398 CB PRO A 93 -49.671 97.122 17.379 1.00 0.00 C ATOM 1399 CG PRO A 93 -50.625 96.312 18.176 1.00 0.00 C ATOM 1400 CD PRO A 93 -49.820 95.304 18.923 1.00 0.00 C ATOM 0 HA PRO A 93 -47.478 97.007 17.495 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -50.029 98.145 17.263 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -49.551 96.711 16.377 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -51.187 96.944 18.864 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -51.351 95.822 17.527 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -50.248 95.098 19.904 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -49.773 94.354 18.390 1.00 0.00 H new ATOM 1408 N PRO A 94 -47.748 99.542 18.304 1.00 0.00 N ATOM 1409 CA PRO A 94 -47.601 99.666 16.833 1.00 0.00 C ATOM 1410 C PRO A 94 -46.437 98.865 16.255 1.00 0.00 C ATOM 1411 O PRO A 94 -46.396 98.602 15.066 1.00 0.00 O ATOM 1412 CB PRO A 94 -47.381 101.162 16.616 1.00 0.00 C ATOM 1413 CG PRO A 94 -46.805 101.649 17.898 1.00 0.00 C ATOM 1414 CD PRO A 94 -47.440 100.821 18.980 1.00 0.00 C ATOM 0 HA PRO A 94 -48.476 99.264 16.323 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -46.703 101.346 15.782 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -48.317 101.670 16.384 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -45.721 101.536 17.906 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -47.016 102.708 18.043 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -46.764 100.676 19.823 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -48.340 101.295 19.371 1.00 0.00 H new ATOM 1422 N ASN A 95 -45.507 98.477 17.089 1.00 0.00 N ATOM 1423 CA ASN A 95 -44.429 97.633 16.635 1.00 0.00 C ATOM 1424 C ASN A 95 -44.701 96.220 16.997 1.00 0.00 C ATOM 1425 O ASN A 95 -44.224 95.714 18.014 1.00 0.00 O ATOM 1426 CB ASN A 95 -43.051 98.071 17.155 1.00 0.00 C ATOM 1427 CG ASN A 95 -42.529 99.297 16.460 1.00 0.00 C ATOM 1428 OD1 ASN A 95 -41.838 99.193 15.444 1.00 0.00 O ATOM 1429 ND2 ASN A 95 -42.831 100.453 16.986 1.00 0.00 N ATOM 0 H ASN A 95 -45.472 98.728 18.077 1.00 0.00 H new ATOM 0 HA ASN A 95 -44.388 97.732 15.550 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -43.117 98.266 18.225 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -42.341 97.254 17.023 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -42.492 101.313 16.555 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -43.406 100.496 17.828 1.00 0.00 H new ATOM 1436 N GLN A 96 -45.528 95.606 16.209 1.00 0.00 N ATOM 1437 CA GLN A 96 -45.798 94.218 16.352 1.00 0.00 C ATOM 1438 C GLN A 96 -44.959 93.511 15.317 1.00 0.00 C ATOM 1439 O GLN A 96 -44.692 94.078 14.237 1.00 0.00 O ATOM 1440 CB GLN A 96 -47.287 93.888 16.123 1.00 0.00 C ATOM 1441 CG GLN A 96 -47.751 94.046 14.686 1.00 0.00 C ATOM 1442 CD GLN A 96 -48.118 95.448 14.292 1.00 0.00 C ATOM 1443 OE1 GLN A 96 -47.270 96.213 13.866 1.00 0.00 O ATOM 1444 NE2 GLN A 96 -49.371 95.777 14.381 1.00 0.00 N ATOM 0 H GLN A 96 -46.034 96.059 15.448 1.00 0.00 H new ATOM 0 HA GLN A 96 -45.560 93.899 17.367 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -47.472 92.862 16.441 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -47.892 94.533 16.760 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -46.961 93.693 14.023 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -48.615 93.401 14.525 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -50.050 95.107 14.743 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -49.677 96.705 14.089 1.00 0.00 H new ATOM 1453 N ILE A 97 -44.496 92.345 15.618 1.00 0.00 N ATOM 1454 CA ILE A 97 -43.736 91.601 14.652 1.00 0.00 C ATOM 1455 C ILE A 97 -44.407 90.256 14.398 1.00 0.00 C ATOM 1456 O ILE A 97 -44.163 89.287 15.124 1.00 0.00 O ATOM 1457 CB ILE A 97 -42.276 91.390 15.111 1.00 0.00 C ATOM 1458 CG1 ILE A 97 -41.626 92.736 15.432 1.00 0.00 C ATOM 1459 CG2 ILE A 97 -41.466 90.645 14.044 1.00 0.00 C ATOM 1460 CD1 ILE A 97 -40.286 92.616 16.101 1.00 0.00 C ATOM 0 H ILE A 97 -44.625 91.882 16.518 1.00 0.00 H new ATOM 0 HA ILE A 97 -43.708 92.178 13.728 1.00 0.00 H new ATOM 0 HB ILE A 97 -42.286 90.778 16.013 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -41.511 93.303 14.508 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -42.294 93.307 16.076 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -40.442 90.510 14.393 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -41.918 89.671 13.859 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -41.461 91.224 13.121 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -39.887 93.611 16.298 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -40.396 92.077 17.042 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -39.601 92.073 15.450 1.00 0.00 H new ATOM 1472 N PRO A 98 -45.340 90.202 13.440 1.00 0.00 N ATOM 1473 CA PRO A 98 -46.016 88.964 13.080 1.00 0.00 C ATOM 1474 C PRO A 98 -45.058 87.944 12.462 1.00 0.00 C ATOM 1475 O PRO A 98 -44.156 88.302 11.702 1.00 0.00 O ATOM 1476 CB PRO A 98 -47.059 89.407 12.047 1.00 0.00 C ATOM 1477 CG PRO A 98 -46.568 90.708 11.528 1.00 0.00 C ATOM 1478 CD PRO A 98 -45.856 91.353 12.669 1.00 0.00 C ATOM 0 HA PRO A 98 -46.446 88.469 13.950 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -47.154 88.675 11.245 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -48.044 89.512 12.502 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -45.899 90.564 10.680 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -47.394 91.328 11.181 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -45.050 92.001 12.326 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -46.528 91.969 13.266 1.00 0.00 H new ATOM 1486 N GLY A 99 -45.240 86.698 12.810 1.00 0.00 N ATOM 1487 CA GLY A 99 -44.430 85.640 12.256 1.00 0.00 C ATOM 1488 C GLY A 99 -45.035 85.115 10.974 1.00 0.00 C ATOM 1489 O GLY A 99 -45.855 85.805 10.349 1.00 0.00 O ATOM 0 H GLY A 99 -45.945 86.387 13.478 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -43.423 86.010 12.063 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -44.339 84.829 12.979 1.00 0.00 H new ATOM 1493 N VAL A 100 -44.680 83.909 10.598 1.00 0.00 N ATOM 1494 CA VAL A 100 -45.194 83.308 9.377 1.00 0.00 C ATOM 1495 C VAL A 100 -46.698 83.049 9.508 1.00 0.00 C ATOM 1496 O VAL A 100 -47.165 82.572 10.551 1.00 0.00 O ATOM 1497 CB VAL A 100 -44.424 81.989 8.997 1.00 0.00 C ATOM 1498 CG1 VAL A 100 -44.538 80.920 10.080 1.00 0.00 C ATOM 1499 CG2 VAL A 100 -44.882 81.445 7.645 1.00 0.00 C ATOM 0 H VAL A 100 -44.034 83.317 11.120 1.00 0.00 H new ATOM 0 HA VAL A 100 -45.028 84.015 8.564 1.00 0.00 H new ATOM 0 HB VAL A 100 -43.370 82.256 8.916 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -43.990 80.029 9.771 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -44.118 81.300 11.011 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -45.587 80.666 10.232 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -44.330 80.534 7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -45.948 81.223 7.684 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -44.695 82.189 6.871 1.00 0.00 H new ATOM 1509 N ALA A 101 -47.451 83.437 8.498 1.00 0.00 N ATOM 1510 CA ALA A 101 -48.872 83.215 8.501 1.00 0.00 C ATOM 1511 C ALA A 101 -49.175 81.803 8.133 1.00 0.00 C ATOM 1512 O ALA A 101 -48.554 81.237 7.232 1.00 0.00 O ATOM 1513 CB ALA A 101 -49.598 84.164 7.584 1.00 0.00 C ATOM 0 H ALA A 101 -47.096 83.908 7.666 1.00 0.00 H new ATOM 0 HA ALA A 101 -49.229 83.407 9.513 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -50.668 83.958 7.620 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -49.415 85.190 7.903 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -49.237 84.032 6.564 1.00 0.00 H new ATOM 1519 N TRP A 102 -50.123 81.238 8.812 1.00 0.00 N ATOM 1520 CA TRP A 102 -50.492 79.866 8.607 1.00 0.00 C ATOM 1521 C TRP A 102 -51.619 79.750 7.592 1.00 0.00 C ATOM 1522 O TRP A 102 -52.242 78.701 7.454 1.00 0.00 O ATOM 1523 CB TRP A 102 -50.859 79.235 9.951 1.00 0.00 C ATOM 1524 CG TRP A 102 -49.724 79.281 10.942 1.00 0.00 C ATOM 1525 CD1 TRP A 102 -48.387 79.261 10.664 1.00 0.00 C ATOM 1526 CD2 TRP A 102 -49.832 79.329 12.360 1.00 0.00 C ATOM 1527 NE1 TRP A 102 -47.662 79.327 11.827 1.00 0.00 N ATOM 1528 CE2 TRP A 102 -48.527 79.363 12.883 1.00 0.00 C ATOM 1529 CE3 TRP A 102 -50.904 79.355 13.233 1.00 0.00 C ATOM 1530 CZ2 TRP A 102 -48.279 79.424 14.253 1.00 0.00 C ATOM 1531 CZ3 TRP A 102 -50.663 79.411 14.577 1.00 0.00 C ATOM 1532 CH2 TRP A 102 -49.362 79.447 15.083 1.00 0.00 C ATOM 0 H TRP A 102 -50.668 81.716 9.530 1.00 0.00 H new ATOM 0 HA TRP A 102 -49.645 79.320 8.192 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -51.722 79.754 10.368 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -51.156 78.198 9.792 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -47.962 79.202 9.673 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -46.644 79.346 11.892 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -51.917 79.331 12.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -47.272 79.452 14.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -51.497 79.428 15.263 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -49.210 79.494 16.151 1.00 0.00 H new ATOM 1543 N GLY A 103 -51.846 80.824 6.858 1.00 0.00 N ATOM 1544 CA GLY A 103 -52.853 80.813 5.850 1.00 0.00 C ATOM 1545 C GLY A 103 -52.929 82.095 5.088 1.00 0.00 C ATOM 1546 O GLY A 103 -52.147 83.031 5.328 1.00 0.00 O ATOM 0 H GLY A 103 -51.341 81.705 6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -52.656 79.995 5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -53.820 80.613 6.312 1.00 0.00 H new ATOM 1550 N VAL A 104 -53.876 82.146 4.187 1.00 0.00 N ATOM 1551 CA VAL A 104 -54.104 83.307 3.353 1.00 0.00 C ATOM 1552 C VAL A 104 -55.133 84.169 4.041 1.00 0.00 C ATOM 1553 O VAL A 104 -55.954 83.657 4.794 1.00 0.00 O ATOM 1554 CB VAL A 104 -54.718 82.919 1.988 1.00 0.00 C ATOM 1555 CG1 VAL A 104 -54.595 84.041 0.980 1.00 0.00 C ATOM 1556 CG2 VAL A 104 -54.182 81.617 1.444 1.00 0.00 C ATOM 0 H VAL A 104 -54.520 81.376 4.007 1.00 0.00 H new ATOM 0 HA VAL A 104 -53.148 83.807 3.198 1.00 0.00 H new ATOM 0 HB VAL A 104 -55.780 82.754 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -55.038 83.730 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -55.116 84.923 1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -53.542 84.279 0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -54.653 81.402 0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -53.103 81.696 1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -54.402 80.812 2.145 1.00 0.00 H new ATOM 1566 N PHE A 105 -55.103 85.437 3.775 1.00 0.00 N ATOM 1567 CA PHE A 105 -56.054 86.350 4.304 1.00 0.00 C ATOM 1568 C PHE A 105 -56.651 87.126 3.150 1.00 0.00 C ATOM 1569 O PHE A 105 -55.988 87.990 2.570 1.00 0.00 O ATOM 1570 CB PHE A 105 -55.366 87.315 5.245 1.00 0.00 C ATOM 1571 CG PHE A 105 -54.736 86.693 6.458 1.00 0.00 C ATOM 1572 CD1 PHE A 105 -53.366 86.528 6.534 1.00 0.00 C ATOM 1573 CD2 PHE A 105 -55.512 86.290 7.520 1.00 0.00 C ATOM 1574 CE1 PHE A 105 -52.783 85.973 7.652 1.00 0.00 C ATOM 1575 CE2 PHE A 105 -54.936 85.732 8.639 1.00 0.00 C ATOM 1576 CZ PHE A 105 -53.567 85.575 8.701 1.00 0.00 C ATOM 0 H PHE A 105 -54.403 85.870 3.173 1.00 0.00 H new ATOM 0 HA PHE A 105 -56.829 85.811 4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -54.595 87.850 4.690 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -56.094 88.056 5.574 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -52.745 86.838 5.707 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -56.584 86.413 7.475 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -51.711 85.852 7.701 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -55.555 85.418 9.467 1.00 0.00 H new ATOM 0 HZ PHE A 105 -53.113 85.138 9.578 1.00 0.00 H new ATOM 1586 N LYS A 106 -57.837 86.780 2.769 1.00 0.00 N ATOM 1587 CA LYS A 106 -58.521 87.478 1.710 1.00 0.00 C ATOM 1588 C LYS A 106 -59.402 88.529 2.348 1.00 0.00 C ATOM 1589 O LYS A 106 -58.938 89.666 2.566 1.00 0.00 O ATOM 1590 CB LYS A 106 -59.390 86.528 0.868 1.00 0.00 C ATOM 1591 CG LYS A 106 -58.693 85.269 0.385 1.00 0.00 C ATOM 1592 CD LYS A 106 -59.594 84.462 -0.542 1.00 0.00 C ATOM 1593 CE LYS A 106 -58.885 83.220 -1.052 1.00 0.00 C ATOM 1594 NZ LYS A 106 -59.721 82.433 -1.984 1.00 0.00 N1+ ATOM 1595 OXT LYS A 106 -60.545 88.206 2.707 1.00 0.00 O ATOM 0 H LYS A 106 -58.365 86.008 3.177 1.00 0.00 H new ATOM 0 HA LYS A 106 -57.784 87.924 1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -60.260 86.239 1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -59.761 87.074 0.000 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -57.775 85.536 -0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -58.406 84.658 1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -60.501 84.174 -0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -59.901 85.081 -1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -57.963 83.512 -1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -58.602 82.594 -0.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -59.192 81.596 -2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -60.590 82.129 -1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -59.970 83.019 -2.806 1.00 0.00 H new TER 1609 LYS A 106