USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 563 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 Single : A 1 GLY N :NH3+ -117:sc= 0.0708 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.125 USER MOD Single : A 3 SER OG : rot 19:sc= 0.458! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 17:sc= 1.15 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0.0645 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -71:sc= 0.942 USER MOD Single : A 34 LYS NZ :NH3+ -158:sc= 0.0439 (180deg=0.0005) USER MOD Single : A 36 HIS : no HD1:sc= -3.03! C(o=-3!,f=-7!) USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= -0.189 (180deg=-0.314) USER MOD Single : A 40 ASN :FLIP amide:sc= -2.87 F(o=-6.2!,f=-2.9) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.187 F(o=-1.4,f=-0.19) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0424 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 78:sc= 0.49 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -53:sc= 0.614 USER MOD Single : A 61 ASN : amide:sc= -10.5! C(o=-10!,f=-25!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.223 K(o=-0.22,f=-0.78) USER MOD Single : A 68 TYR OH : rot -178:sc= 0.132 USER MOD Single : A 70 GLN : amide:sc= -0.239 K(o=-0.24,f=-1.9) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.790 -9.592 17.922 1.00 0.00 N ATOM 2 CA GLY A 1 2.274 -10.948 17.881 1.00 0.00 C ATOM 3 C GLY A 1 2.782 -11.726 16.684 1.00 0.00 C ATOM 4 O GLY A 1 3.324 -11.147 15.743 1.00 0.00 O ATOM 0 H1 GLY A 1 3.370 -9.467 18.776 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.373 -9.417 17.079 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.997 -8.919 17.941 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.557 -11.469 18.796 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.185 -10.918 17.855 1.00 0.00 H new ATOM 8 N SER A 2 2.609 -13.043 16.720 1.00 0.00 N ATOM 9 CA SER A 2 3.060 -13.903 15.632 1.00 0.00 C ATOM 10 C SER A 2 1.912 -14.758 15.104 1.00 0.00 C ATOM 11 O SER A 2 1.730 -14.895 13.894 1.00 0.00 O ATOM 12 CB SER A 2 4.204 -14.802 16.104 1.00 0.00 C ATOM 13 OG SER A 2 3.734 -15.801 16.993 1.00 0.00 O ATOM 0 H SER A 2 2.160 -13.538 17.491 1.00 0.00 H new ATOM 0 HA SER A 2 3.418 -13.266 14.823 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.681 -15.272 15.243 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.964 -14.198 16.599 1.00 0.00 H new ATOM 0 HG SER A 2 4.484 -16.363 17.279 1.00 0.00 H new ATOM 19 N SER A 3 1.139 -15.331 16.021 1.00 0.00 N ATOM 20 CA SER A 3 0.010 -16.177 15.649 1.00 0.00 C ATOM 21 C SER A 3 -1.046 -15.372 14.897 1.00 0.00 C ATOM 22 O SER A 3 -1.564 -14.379 15.405 1.00 0.00 O ATOM 23 CB SER A 3 -0.609 -16.814 16.894 1.00 0.00 C ATOM 24 OG SER A 3 -1.310 -15.853 17.664 1.00 0.00 O ATOM 0 H SER A 3 1.273 -15.225 17.027 1.00 0.00 H new ATOM 0 HA SER A 3 0.378 -16.965 14.992 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.289 -17.613 16.598 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.174 -17.270 17.500 1.00 0.00 H new ATOM 0 HG SER A 3 -1.504 -15.068 17.110 1.00 0.00 H new ATOM 30 N GLY A 4 -1.361 -15.810 13.681 1.00 0.00 N ATOM 31 CA GLY A 4 -2.353 -15.121 12.878 1.00 0.00 C ATOM 32 C GLY A 4 -1.727 -14.207 11.842 1.00 0.00 C ATOM 33 O GLY A 4 -2.091 -13.036 11.737 1.00 0.00 O ATOM 0 H GLY A 4 -0.946 -16.630 13.238 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.984 -15.855 12.377 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.001 -14.536 13.530 1.00 0.00 H new ATOM 37 N SER A 5 -0.782 -14.743 11.077 1.00 0.00 N ATOM 38 CA SER A 5 -0.100 -13.966 10.048 1.00 0.00 C ATOM 39 C SER A 5 -1.093 -13.447 9.012 1.00 0.00 C ATOM 40 O SER A 5 -1.976 -14.177 8.562 1.00 0.00 O ATOM 41 CB SER A 5 0.971 -14.817 9.363 1.00 0.00 C ATOM 42 OG SER A 5 1.394 -14.222 8.148 1.00 0.00 O ATOM 0 H SER A 5 -0.471 -15.712 11.150 1.00 0.00 H new ATOM 0 HA SER A 5 0.377 -13.112 10.528 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.825 -14.938 10.029 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.577 -15.814 9.166 1.00 0.00 H new ATOM 0 HG SER A 5 2.080 -14.784 7.730 1.00 0.00 H new ATOM 48 N SER A 6 -0.941 -12.180 8.639 1.00 0.00 N ATOM 49 CA SER A 6 -1.825 -11.560 7.660 1.00 0.00 C ATOM 50 C SER A 6 -1.221 -10.266 7.124 1.00 0.00 C ATOM 51 O SER A 6 -0.356 -9.663 7.758 1.00 0.00 O ATOM 52 CB SER A 6 -3.193 -11.277 8.284 1.00 0.00 C ATOM 53 OG SER A 6 -3.986 -12.451 8.331 1.00 0.00 O ATOM 0 H SER A 6 -0.214 -11.563 9.000 1.00 0.00 H new ATOM 0 HA SER A 6 -1.949 -12.254 6.829 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.062 -10.883 9.292 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.708 -10.510 7.706 1.00 0.00 H new ATOM 0 HG SER A 6 -3.414 -13.237 8.208 1.00 0.00 H new ATOM 59 N GLY A 7 -1.682 -9.846 5.950 1.00 0.00 N ATOM 60 CA GLY A 7 -1.176 -8.627 5.347 1.00 0.00 C ATOM 61 C GLY A 7 -2.287 -7.699 4.896 1.00 0.00 C ATOM 62 O GLY A 7 -2.984 -7.981 3.922 1.00 0.00 O ATOM 0 H GLY A 7 -2.397 -10.328 5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.541 -8.107 6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.549 -8.881 4.492 1.00 0.00 H new ATOM 66 N ASP A 8 -2.453 -6.590 5.608 1.00 0.00 N ATOM 67 CA ASP A 8 -3.488 -5.617 5.276 1.00 0.00 C ATOM 68 C ASP A 8 -2.894 -4.424 4.534 1.00 0.00 C ATOM 69 O ASP A 8 -1.992 -3.753 5.037 1.00 0.00 O ATOM 70 CB ASP A 8 -4.197 -5.142 6.546 1.00 0.00 C ATOM 71 CG ASP A 8 -4.964 -6.255 7.231 1.00 0.00 C ATOM 72 OD1 ASP A 8 -4.338 -7.277 7.586 1.00 0.00 O ATOM 73 OD2 ASP A 8 -6.190 -6.105 7.414 1.00 0.00 O ATOM 0 H ASP A 8 -1.885 -6.342 6.418 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.214 -6.103 4.624 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.461 -4.733 7.238 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.883 -4.333 6.295 1.00 0.00 H new ATOM 78 N TYR A 9 -3.404 -4.166 3.335 1.00 0.00 N ATOM 79 CA TYR A 9 -2.922 -3.056 2.522 1.00 0.00 C ATOM 80 C TYR A 9 -2.791 -1.785 3.356 1.00 0.00 C ATOM 81 O TYR A 9 -1.759 -1.115 3.329 1.00 0.00 O ATOM 82 CB TYR A 9 -3.866 -2.811 1.344 1.00 0.00 C ATOM 83 CG TYR A 9 -4.045 -4.017 0.450 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.947 -4.730 -0.015 1.00 0.00 C ATOM 85 CD2 TYR A 9 -5.311 -4.444 0.070 1.00 0.00 C ATOM 86 CE1 TYR A 9 -3.105 -5.832 -0.833 1.00 0.00 C ATOM 87 CE2 TYR A 9 -5.479 -5.546 -0.746 1.00 0.00 C ATOM 88 CZ TYR A 9 -4.373 -6.237 -1.195 1.00 0.00 C ATOM 89 OH TYR A 9 -4.535 -7.334 -2.010 1.00 0.00 O ATOM 0 H TYR A 9 -4.151 -4.711 2.904 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.936 -3.321 2.140 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.840 -2.506 1.727 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.483 -1.982 0.749 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.953 -4.417 0.268 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.179 -3.905 0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.240 -6.374 -1.187 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.471 -5.865 -1.031 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.490 -7.486 -2.168 1.00 0.00 H new ATOM 99 N TYR A 10 -3.845 -1.462 4.097 1.00 0.00 N ATOM 100 CA TYR A 10 -3.851 -0.271 4.939 1.00 0.00 C ATOM 101 C TYR A 10 -2.648 -0.262 5.877 1.00 0.00 C ATOM 102 O TYR A 10 -2.098 0.794 6.187 1.00 0.00 O ATOM 103 CB TYR A 10 -5.145 -0.201 5.750 1.00 0.00 C ATOM 104 CG TYR A 10 -6.362 0.143 4.921 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.413 1.318 4.181 1.00 0.00 C ATOM 106 CD2 TYR A 10 -7.460 -0.707 4.877 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.523 1.636 3.422 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.573 -0.398 4.120 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.600 0.775 3.395 1.00 0.00 C ATOM 110 OH TYR A 10 -9.707 1.088 2.640 1.00 0.00 O ATOM 0 H TYR A 10 -4.706 -2.008 4.132 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.790 0.603 4.290 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.309 -1.161 6.240 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.030 0.544 6.538 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.571 1.994 4.199 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.443 -1.626 5.445 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.547 2.554 2.853 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.417 -1.071 4.096 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.375 0.377 2.729 1.00 0.00 H new ATOM 120 N GLU A 11 -2.246 -1.447 6.325 1.00 0.00 N ATOM 121 CA GLU A 11 -1.108 -1.576 7.228 1.00 0.00 C ATOM 122 C GLU A 11 0.205 -1.352 6.484 1.00 0.00 C ATOM 123 O GLU A 11 1.069 -0.602 6.940 1.00 0.00 O ATOM 124 CB GLU A 11 -1.105 -2.957 7.887 1.00 0.00 C ATOM 125 CG GLU A 11 -2.092 -3.086 9.034 1.00 0.00 C ATOM 126 CD GLU A 11 -1.932 -4.386 9.798 1.00 0.00 C ATOM 127 OE1 GLU A 11 -1.638 -5.418 9.160 1.00 0.00 O ATOM 128 OE2 GLU A 11 -2.100 -4.371 11.036 1.00 0.00 O ATOM 0 H GLU A 11 -2.691 -2.331 6.078 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.202 -0.813 8.001 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.336 -3.710 7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.102 -3.172 8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.959 -2.248 9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.108 -3.021 8.644 1.00 0.00 H new ATOM 135 N ILE A 12 0.348 -2.008 5.338 1.00 0.00 N ATOM 136 CA ILE A 12 1.555 -1.881 4.531 1.00 0.00 C ATOM 137 C ILE A 12 1.919 -0.416 4.312 1.00 0.00 C ATOM 138 O ILE A 12 3.082 -0.029 4.431 1.00 0.00 O ATOM 139 CB ILE A 12 1.392 -2.567 3.162 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.264 -4.081 3.338 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.569 -2.231 2.257 1.00 0.00 C ATOM 142 CD1 ILE A 12 0.865 -4.806 2.071 1.00 0.00 C ATOM 0 H ILE A 12 -0.357 -2.633 4.947 1.00 0.00 H new ATOM 0 HA ILE A 12 2.356 -2.374 5.082 1.00 0.00 H new ATOM 0 HB ILE A 12 0.481 -2.196 2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.215 -4.479 3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.526 -4.287 4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.439 -2.723 1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.618 -1.152 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.494 -2.577 2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.793 -5.875 2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.101 -4.435 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.615 -4.630 1.300 1.00 0.00 H new ATOM 154 N LEU A 13 0.916 0.396 3.995 1.00 0.00 N ATOM 155 CA LEU A 13 1.128 1.820 3.761 1.00 0.00 C ATOM 156 C LEU A 13 1.264 2.573 5.081 1.00 0.00 C ATOM 157 O LEU A 13 2.066 3.499 5.199 1.00 0.00 O ATOM 158 CB LEU A 13 -0.027 2.401 2.946 1.00 0.00 C ATOM 159 CG LEU A 13 -0.372 1.665 1.650 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.683 2.180 1.076 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.753 1.816 0.636 1.00 0.00 C ATOM 0 H LEU A 13 -0.052 0.092 3.894 1.00 0.00 H new ATOM 0 HA LEU A 13 2.055 1.937 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.916 2.421 3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.213 3.435 2.700 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.490 0.605 1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.912 1.645 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.484 2.019 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.594 3.245 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.491 1.286 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.903 2.872 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.672 1.397 1.047 1.00 0.00 H new ATOM 173 N GLY A 14 0.476 2.168 6.072 1.00 0.00 N ATOM 174 CA GLY A 14 0.526 2.814 7.371 1.00 0.00 C ATOM 175 C GLY A 14 -0.571 3.845 7.547 1.00 0.00 C ATOM 176 O GLY A 14 -0.299 5.004 7.862 1.00 0.00 O ATOM 0 H GLY A 14 -0.196 1.404 5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.440 2.059 8.153 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.496 3.295 7.497 1.00 0.00 H new ATOM 180 N VAL A 15 -1.815 3.425 7.342 1.00 0.00 N ATOM 181 CA VAL A 15 -2.957 4.320 7.480 1.00 0.00 C ATOM 182 C VAL A 15 -4.140 3.607 8.126 1.00 0.00 C ATOM 183 O VAL A 15 -4.055 2.428 8.469 1.00 0.00 O ATOM 184 CB VAL A 15 -3.395 4.886 6.116 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.259 5.664 5.471 1.00 0.00 C ATOM 186 CG2 VAL A 15 -3.870 3.765 5.203 1.00 0.00 C ATOM 0 H VAL A 15 -2.058 2.470 7.080 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.639 5.142 8.121 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.227 5.571 6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.587 6.056 4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.970 6.491 6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.405 5.004 5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.176 4.182 4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.059 3.054 5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.716 3.255 5.663 1.00 0.00 H new ATOM 196 N SER A 16 -5.244 4.330 8.288 1.00 0.00 N ATOM 197 CA SER A 16 -6.444 3.768 8.895 1.00 0.00 C ATOM 198 C SER A 16 -7.332 3.114 7.840 1.00 0.00 C ATOM 199 O SER A 16 -7.241 3.431 6.654 1.00 0.00 O ATOM 200 CB SER A 16 -7.226 4.857 9.632 1.00 0.00 C ATOM 201 OG SER A 16 -6.553 5.257 10.814 1.00 0.00 O ATOM 0 H SER A 16 -5.332 5.307 8.007 1.00 0.00 H new ATOM 0 HA SER A 16 -6.136 3.005 9.610 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.361 5.718 8.978 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.221 4.488 9.883 1.00 0.00 H new ATOM 0 HG SER A 16 -7.072 5.955 11.266 1.00 0.00 H new ATOM 207 N ARG A 17 -8.189 2.200 8.282 1.00 0.00 N ATOM 208 CA ARG A 17 -9.093 1.500 7.377 1.00 0.00 C ATOM 209 C ARG A 17 -10.185 2.436 6.868 1.00 0.00 C ATOM 210 O ARG A 17 -11.172 2.688 7.557 1.00 0.00 O ATOM 211 CB ARG A 17 -9.724 0.298 8.082 1.00 0.00 C ATOM 212 CG ARG A 17 -8.748 -0.839 8.339 1.00 0.00 C ATOM 213 CD ARG A 17 -9.474 -2.158 8.554 1.00 0.00 C ATOM 214 NE ARG A 17 -10.318 -2.129 9.746 1.00 0.00 N ATOM 215 CZ ARG A 17 -9.863 -2.350 10.974 1.00 0.00 C ATOM 216 NH1 ARG A 17 -8.579 -2.614 11.172 1.00 0.00 N ATOM 217 NH2 ARG A 17 -10.693 -2.307 12.008 1.00 0.00 N ATOM 0 H ARG A 17 -8.277 1.927 9.261 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.513 1.149 6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.146 0.625 9.032 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.551 -0.074 7.477 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.065 -0.932 7.495 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.142 -0.609 9.215 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.087 -2.381 7.681 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.745 -2.963 8.645 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.311 -1.928 9.629 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.937 -2.648 10.380 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.233 -2.783 12.116 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.682 -2.104 11.860 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.343 -2.477 12.951 1.00 0.00 H new ATOM 231 N GLY A 18 -10.000 2.948 5.655 1.00 0.00 N ATOM 232 CA GLY A 18 -10.977 3.851 5.074 1.00 0.00 C ATOM 233 C GLY A 18 -10.374 5.187 4.688 1.00 0.00 C ATOM 234 O GLY A 18 -11.094 6.163 4.478 1.00 0.00 O ATOM 0 H GLY A 18 -9.191 2.754 5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.417 3.386 4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.786 4.013 5.786 1.00 0.00 H new ATOM 238 N ALA A 19 -9.049 5.233 4.597 1.00 0.00 N ATOM 239 CA ALA A 19 -8.350 6.459 4.234 1.00 0.00 C ATOM 240 C ALA A 19 -8.644 6.852 2.790 1.00 0.00 C ATOM 241 O ALA A 19 -8.610 6.013 1.890 1.00 0.00 O ATOM 242 CB ALA A 19 -6.852 6.295 4.444 1.00 0.00 C ATOM 0 H ALA A 19 -8.438 4.435 4.770 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.711 7.258 4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.343 7.219 4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.654 6.070 5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.485 5.479 3.822 1.00 0.00 H new ATOM 248 N SER A 20 -8.932 8.132 2.577 1.00 0.00 N ATOM 249 CA SER A 20 -9.236 8.634 1.242 1.00 0.00 C ATOM 250 C SER A 20 -8.012 8.546 0.336 1.00 0.00 C ATOM 251 O SER A 20 -6.892 8.342 0.806 1.00 0.00 O ATOM 252 CB SER A 20 -9.725 10.082 1.319 1.00 0.00 C ATOM 253 OG SER A 20 -10.368 10.468 0.116 1.00 0.00 O ATOM 0 H SER A 20 -8.961 8.840 3.311 1.00 0.00 H new ATOM 0 HA SER A 20 -10.025 8.013 0.818 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.415 10.192 2.155 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.881 10.744 1.513 1.00 0.00 H new ATOM 0 HG SER A 20 -10.673 11.396 0.191 1.00 0.00 H new ATOM 259 N ASP A 21 -8.234 8.701 -0.964 1.00 0.00 N ATOM 260 CA ASP A 21 -7.149 8.640 -1.937 1.00 0.00 C ATOM 261 C ASP A 21 -5.971 9.501 -1.493 1.00 0.00 C ATOM 262 O ASP A 21 -4.853 9.009 -1.344 1.00 0.00 O ATOM 263 CB ASP A 21 -7.642 9.099 -3.311 1.00 0.00 C ATOM 264 CG ASP A 21 -9.057 8.639 -3.602 1.00 0.00 C ATOM 265 OD1 ASP A 21 -10.005 9.347 -3.203 1.00 0.00 O ATOM 266 OD2 ASP A 21 -9.216 7.571 -4.229 1.00 0.00 O ATOM 0 H ASP A 21 -9.155 8.870 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.814 7.605 -2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.599 10.187 -3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.973 8.715 -4.081 1.00 0.00 H new ATOM 271 N GLU A 22 -6.230 10.788 -1.283 1.00 0.00 N ATOM 272 CA GLU A 22 -5.190 11.717 -0.858 1.00 0.00 C ATOM 273 C GLU A 22 -4.343 11.111 0.258 1.00 0.00 C ATOM 274 O GLU A 22 -3.116 11.061 0.164 1.00 0.00 O ATOM 275 CB GLU A 22 -5.812 13.032 -0.384 1.00 0.00 C ATOM 276 CG GLU A 22 -4.920 14.242 -0.606 1.00 0.00 C ATOM 277 CD GLU A 22 -5.100 14.854 -1.981 1.00 0.00 C ATOM 278 OE1 GLU A 22 -6.238 14.837 -2.495 1.00 0.00 O ATOM 279 OE2 GLU A 22 -4.101 15.351 -2.544 1.00 0.00 O ATOM 0 H GLU A 22 -7.151 11.211 -1.400 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.545 11.917 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.756 13.187 -0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.044 12.952 0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.137 14.993 0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.878 13.949 -0.476 1.00 0.00 H new ATOM 286 N ASP A 23 -5.006 10.651 1.313 1.00 0.00 N ATOM 287 CA ASP A 23 -4.316 10.048 2.447 1.00 0.00 C ATOM 288 C ASP A 23 -3.408 8.911 1.988 1.00 0.00 C ATOM 289 O ASP A 23 -2.206 8.913 2.260 1.00 0.00 O ATOM 290 CB ASP A 23 -5.328 9.528 3.469 1.00 0.00 C ATOM 291 CG ASP A 23 -4.754 9.465 4.871 1.00 0.00 C ATOM 292 OD1 ASP A 23 -4.398 10.532 5.414 1.00 0.00 O ATOM 293 OD2 ASP A 23 -4.660 8.350 5.425 1.00 0.00 O ATOM 0 H ASP A 23 -6.021 10.684 1.407 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.699 10.815 2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.206 10.174 3.468 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.663 8.534 3.171 1.00 0.00 H new ATOM 298 N LEU A 24 -3.989 7.941 1.292 1.00 0.00 N ATOM 299 CA LEU A 24 -3.233 6.796 0.795 1.00 0.00 C ATOM 300 C LEU A 24 -2.037 7.252 -0.035 1.00 0.00 C ATOM 301 O LEU A 24 -0.969 6.643 0.007 1.00 0.00 O ATOM 302 CB LEU A 24 -4.134 5.889 -0.043 1.00 0.00 C ATOM 303 CG LEU A 24 -5.433 5.433 0.623 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.490 5.121 -0.426 1.00 0.00 C ATOM 305 CD2 LEU A 24 -5.183 4.221 1.507 1.00 0.00 C ATOM 0 H LEU A 24 -4.982 7.924 1.059 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.863 6.236 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.386 6.413 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.564 5.004 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.801 6.245 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.407 4.798 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.691 6.014 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.130 4.327 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.119 3.911 1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.791 3.404 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.460 4.478 2.281 1.00 0.00 H new ATOM 317 N LYS A 25 -2.225 8.330 -0.790 1.00 0.00 N ATOM 318 CA LYS A 25 -1.162 8.871 -1.628 1.00 0.00 C ATOM 319 C LYS A 25 -0.005 9.385 -0.777 1.00 0.00 C ATOM 320 O LYS A 25 1.106 8.858 -0.837 1.00 0.00 O ATOM 321 CB LYS A 25 -1.703 10.002 -2.507 1.00 0.00 C ATOM 322 CG LYS A 25 -0.768 10.394 -3.638 1.00 0.00 C ATOM 323 CD LYS A 25 -1.419 11.396 -4.577 1.00 0.00 C ATOM 324 CE LYS A 25 -0.388 12.084 -5.459 1.00 0.00 C ATOM 325 NZ LYS A 25 -1.008 13.116 -6.335 1.00 0.00 N ATOM 0 H LYS A 25 -3.104 8.846 -0.838 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.792 8.068 -2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.661 9.697 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.892 10.876 -1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.145 10.822 -3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.479 9.504 -4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.153 10.887 -5.202 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.959 12.143 -3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.373 12.549 -4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.117 11.340 -6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.273 13.562 -6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.717 12.668 -6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.468 13.840 -5.747 1.00 0.00 H new ATOM 339 N LYS A 26 -0.273 10.416 0.017 1.00 0.00 N ATOM 340 CA LYS A 26 0.744 10.999 0.884 1.00 0.00 C ATOM 341 C LYS A 26 1.532 9.912 1.608 1.00 0.00 C ATOM 342 O LYS A 26 2.761 9.887 1.561 1.00 0.00 O ATOM 343 CB LYS A 26 0.097 11.939 1.904 1.00 0.00 C ATOM 344 CG LYS A 26 -0.543 13.167 1.279 1.00 0.00 C ATOM 345 CD LYS A 26 -1.160 14.071 2.333 1.00 0.00 C ATOM 346 CE LYS A 26 -1.796 15.303 1.707 1.00 0.00 C ATOM 347 NZ LYS A 26 -1.756 16.475 2.624 1.00 0.00 N ATOM 0 H LYS A 26 -1.187 10.865 0.078 1.00 0.00 H new ATOM 0 HA LYS A 26 1.433 11.568 0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.661 11.389 2.463 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.853 12.259 2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.207 13.722 0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.310 12.857 0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.913 13.517 2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.394 14.378 3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.277 15.549 0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.831 15.083 1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.199 17.294 2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.273 16.250 3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.768 16.701 2.855 1.00 0.00 H new ATOM 361 N ALA A 27 0.815 9.013 2.275 1.00 0.00 N ATOM 362 CA ALA A 27 1.447 7.921 3.005 1.00 0.00 C ATOM 363 C ALA A 27 2.309 7.069 2.080 1.00 0.00 C ATOM 364 O ALA A 27 3.492 6.851 2.344 1.00 0.00 O ATOM 365 CB ALA A 27 0.393 7.062 3.686 1.00 0.00 C ATOM 0 H ALA A 27 -0.204 9.020 2.325 1.00 0.00 H new ATOM 0 HA ALA A 27 2.095 8.354 3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.879 6.250 4.227 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.179 7.673 4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.278 6.646 2.935 1.00 0.00 H new ATOM 371 N TYR A 28 1.710 6.590 0.995 1.00 0.00 N ATOM 372 CA TYR A 28 2.423 5.758 0.033 1.00 0.00 C ATOM 373 C TYR A 28 3.721 6.427 -0.408 1.00 0.00 C ATOM 374 O TYR A 28 4.770 5.786 -0.479 1.00 0.00 O ATOM 375 CB TYR A 28 1.540 5.481 -1.185 1.00 0.00 C ATOM 376 CG TYR A 28 2.249 4.725 -2.287 1.00 0.00 C ATOM 377 CD1 TYR A 28 2.778 3.461 -2.061 1.00 0.00 C ATOM 378 CD2 TYR A 28 2.388 5.277 -3.555 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.426 2.768 -3.064 1.00 0.00 C ATOM 380 CE2 TYR A 28 3.034 4.590 -4.565 1.00 0.00 C ATOM 381 CZ TYR A 28 3.552 3.337 -4.315 1.00 0.00 C ATOM 382 OH TYR A 28 4.196 2.649 -5.317 1.00 0.00 O ATOM 0 H TYR A 28 0.733 6.764 0.760 1.00 0.00 H new ATOM 0 HA TYR A 28 2.669 4.813 0.518 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.667 4.911 -0.868 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.175 6.428 -1.582 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.681 3.012 -1.083 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.985 6.259 -3.754 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.832 1.786 -2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.133 5.032 -5.545 1.00 0.00 H new ATOM 0 HH TYR A 28 5.156 2.611 -5.123 1.00 0.00 H new ATOM 392 N ARG A 29 3.642 7.721 -0.704 1.00 0.00 N ATOM 393 CA ARG A 29 4.810 8.478 -1.139 1.00 0.00 C ATOM 394 C ARG A 29 5.880 8.499 -0.051 1.00 0.00 C ATOM 395 O ARG A 29 6.991 8.008 -0.249 1.00 0.00 O ATOM 396 CB ARG A 29 4.410 9.908 -1.504 1.00 0.00 C ATOM 397 CG ARG A 29 3.738 10.025 -2.862 1.00 0.00 C ATOM 398 CD ARG A 29 4.009 11.376 -3.504 1.00 0.00 C ATOM 399 NE ARG A 29 5.243 11.373 -4.285 1.00 0.00 N ATOM 400 CZ ARG A 29 5.813 12.473 -4.763 1.00 0.00 C ATOM 401 NH1 ARG A 29 5.264 13.659 -4.540 1.00 0.00 N ATOM 402 NH2 ARG A 29 6.936 12.389 -5.465 1.00 0.00 N ATOM 0 H ARG A 29 2.782 8.266 -0.650 1.00 0.00 H new ATOM 0 HA ARG A 29 5.222 7.987 -2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.735 10.294 -0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.299 10.539 -1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.098 9.231 -3.517 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.663 9.883 -2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.172 11.645 -4.149 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.072 12.140 -2.729 1.00 0.00 H new ATOM 0 HE ARG A 29 5.692 10.477 -4.474 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.401 13.728 -4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.704 14.502 -4.908 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.362 11.479 -5.638 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.373 13.235 -5.832 1.00 0.00 H new ATOM 416 N ARG A 30 5.537 9.073 1.098 1.00 0.00 N ATOM 417 CA ARG A 30 6.468 9.160 2.216 1.00 0.00 C ATOM 418 C ARG A 30 7.267 7.868 2.361 1.00 0.00 C ATOM 419 O ARG A 30 8.385 7.872 2.878 1.00 0.00 O ATOM 420 CB ARG A 30 5.713 9.454 3.514 1.00 0.00 C ATOM 421 CG ARG A 30 6.531 9.188 4.768 1.00 0.00 C ATOM 422 CD ARG A 30 6.005 9.981 5.954 1.00 0.00 C ATOM 423 NE ARG A 30 7.038 10.209 6.961 1.00 0.00 N ATOM 424 CZ ARG A 30 6.811 10.811 8.123 1.00 0.00 C ATOM 425 NH1 ARG A 30 5.594 11.243 8.423 1.00 0.00 N ATOM 426 NH2 ARG A 30 7.803 10.983 8.988 1.00 0.00 N ATOM 0 H ARG A 30 4.621 9.484 1.279 1.00 0.00 H new ATOM 0 HA ARG A 30 7.163 9.975 2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.396 10.497 3.512 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.809 8.846 3.544 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.506 8.123 5.001 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.573 9.451 4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.619 10.940 5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.170 9.446 6.406 1.00 0.00 H new ATOM 0 HE ARG A 30 7.985 9.888 6.761 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.829 11.113 7.761 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.423 11.705 9.316 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.741 10.653 8.761 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.627 11.445 9.880 1.00 0.00 H new ATOM 440 N LEU A 31 6.686 6.765 1.902 1.00 0.00 N ATOM 441 CA LEU A 31 7.343 5.465 1.980 1.00 0.00 C ATOM 442 C LEU A 31 8.171 5.197 0.727 1.00 0.00 C ATOM 443 O LEU A 31 9.375 4.959 0.806 1.00 0.00 O ATOM 444 CB LEU A 31 6.305 4.357 2.166 1.00 0.00 C ATOM 445 CG LEU A 31 5.405 4.481 3.396 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.329 3.406 3.381 1.00 0.00 C ATOM 447 CD2 LEU A 31 6.230 4.394 4.672 1.00 0.00 C ATOM 0 H LEU A 31 5.761 6.745 1.472 1.00 0.00 H new ATOM 0 HA LEU A 31 8.012 5.475 2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.672 4.327 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.828 3.402 2.218 1.00 0.00 H new ATOM 0 HG LEU A 31 4.917 5.455 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.698 3.510 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.719 3.514 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.798 2.422 3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.573 4.484 5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.746 3.435 4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.963 5.201 4.687 1.00 0.00 H new ATOM 459 N ALA A 32 7.515 5.239 -0.429 1.00 0.00 N ATOM 460 CA ALA A 32 8.191 5.005 -1.699 1.00 0.00 C ATOM 461 C ALA A 32 9.554 5.688 -1.730 1.00 0.00 C ATOM 462 O ALA A 32 10.562 5.071 -2.074 1.00 0.00 O ATOM 463 CB ALA A 32 7.328 5.491 -2.853 1.00 0.00 C ATOM 0 H ALA A 32 6.517 5.433 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 32 8.350 3.932 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.845 5.310 -3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.380 4.953 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.139 6.559 -2.742 1.00 0.00 H new ATOM 469 N LEU A 33 9.577 6.967 -1.370 1.00 0.00 N ATOM 470 CA LEU A 33 10.817 7.736 -1.357 1.00 0.00 C ATOM 471 C LEU A 33 11.846 7.094 -0.433 1.00 0.00 C ATOM 472 O LEU A 33 13.028 7.007 -0.767 1.00 0.00 O ATOM 473 CB LEU A 33 10.544 9.174 -0.914 1.00 0.00 C ATOM 474 CG LEU A 33 9.787 10.052 -1.911 1.00 0.00 C ATOM 475 CD1 LEU A 33 8.288 9.968 -1.666 1.00 0.00 C ATOM 476 CD2 LEU A 33 10.264 11.494 -1.822 1.00 0.00 C ATOM 0 H LEU A 33 8.752 7.493 -1.083 1.00 0.00 H new ATOM 0 HA LEU A 33 11.221 7.745 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.977 9.145 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.498 9.652 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 33 9.991 9.685 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.766 10.599 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.958 8.936 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.065 10.309 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.714 12.104 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.091 11.873 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.329 11.540 -2.049 1.00 0.00 H new ATOM 488 N LYS A 34 11.390 6.642 0.731 1.00 0.00 N ATOM 489 CA LYS A 34 12.269 6.004 1.703 1.00 0.00 C ATOM 490 C LYS A 34 12.700 4.622 1.222 1.00 0.00 C ATOM 491 O LYS A 34 13.712 4.085 1.672 1.00 0.00 O ATOM 492 CB LYS A 34 11.567 5.889 3.058 1.00 0.00 C ATOM 493 CG LYS A 34 12.459 5.347 4.161 1.00 0.00 C ATOM 494 CD LYS A 34 11.653 4.617 5.222 1.00 0.00 C ATOM 495 CE LYS A 34 12.529 4.182 6.387 1.00 0.00 C ATOM 496 NZ LYS A 34 13.226 2.896 6.107 1.00 0.00 N ATOM 0 H LYS A 34 10.415 6.706 1.024 1.00 0.00 H new ATOM 0 HA LYS A 34 13.158 6.624 1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.198 6.872 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.698 5.240 2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.197 4.669 3.733 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.009 6.168 4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.857 5.266 5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.174 3.743 4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.267 4.957 6.596 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.916 4.076 7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.499 2.446 7.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.589 2.263 5.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.078 3.079 5.539 1.00 0.00 H new ATOM 510 N PHE A 35 11.925 4.052 0.305 1.00 0.00 N ATOM 511 CA PHE A 35 12.227 2.732 -0.237 1.00 0.00 C ATOM 512 C PHE A 35 12.423 2.797 -1.749 1.00 0.00 C ATOM 513 O PHE A 35 12.268 1.796 -2.450 1.00 0.00 O ATOM 514 CB PHE A 35 11.105 1.749 0.102 1.00 0.00 C ATOM 515 CG PHE A 35 10.907 1.551 1.577 1.00 0.00 C ATOM 516 CD1 PHE A 35 11.706 0.667 2.284 1.00 0.00 C ATOM 517 CD2 PHE A 35 9.921 2.248 2.258 1.00 0.00 C ATOM 518 CE1 PHE A 35 11.527 0.482 3.642 1.00 0.00 C ATOM 519 CE2 PHE A 35 9.738 2.067 3.615 1.00 0.00 C ATOM 520 CZ PHE A 35 10.541 1.182 4.308 1.00 0.00 C ATOM 0 H PHE A 35 11.084 4.483 -0.078 1.00 0.00 H new ATOM 0 HA PHE A 35 13.155 2.384 0.217 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.174 2.108 -0.337 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.325 0.786 -0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.478 0.116 1.768 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.289 2.940 1.722 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.158 -0.209 4.181 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.967 2.617 4.134 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.398 1.038 5.369 1.00 0.00 H new ATOM 530 N HIS A 36 12.763 3.982 -2.245 1.00 0.00 N ATOM 531 CA HIS A 36 12.980 4.179 -3.674 1.00 0.00 C ATOM 532 C HIS A 36 14.378 3.721 -4.080 1.00 0.00 C ATOM 533 O HIS A 36 15.358 3.927 -3.362 1.00 0.00 O ATOM 534 CB HIS A 36 12.786 5.650 -4.043 1.00 0.00 C ATOM 535 CG HIS A 36 12.283 5.855 -5.439 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.113 6.122 -6.507 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.025 5.831 -5.939 1.00 0.00 C ATOM 538 CE1 HIS A 36 12.388 6.254 -7.603 1.00 0.00 C ATOM 539 NE2 HIS A 36 11.118 6.082 -7.286 1.00 0.00 N ATOM 0 H HIS A 36 12.894 4.820 -1.679 1.00 0.00 H new ATOM 0 HA HIS A 36 12.249 3.577 -4.213 1.00 0.00 H new ATOM 0 HB2 HIS A 36 12.084 6.103 -3.342 1.00 0.00 H new ATOM 0 HB3 HIS A 36 13.735 6.174 -3.927 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.118 5.649 -5.382 1.00 0.00 H new ATOM 0 HE1 HIS A 36 12.769 6.467 -8.591 1.00 0.00 H new ATOM 0 HE2 HIS A 36 10.333 6.128 -7.936 1.00 0.00 H new ATOM 547 N PRO A 37 14.475 3.084 -5.256 1.00 0.00 N ATOM 548 CA PRO A 37 15.748 2.584 -5.783 1.00 0.00 C ATOM 549 C PRO A 37 16.684 3.711 -6.205 1.00 0.00 C ATOM 550 O PRO A 37 17.843 3.474 -6.548 1.00 0.00 O ATOM 551 CB PRO A 37 15.327 1.755 -6.999 1.00 0.00 C ATOM 552 CG PRO A 37 14.025 2.340 -7.424 1.00 0.00 C ATOM 553 CD PRO A 37 13.349 2.805 -6.163 1.00 0.00 C ATOM 0 HA PRO A 37 16.304 2.018 -5.036 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.068 1.817 -7.796 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.222 0.701 -6.742 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.177 3.170 -8.114 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.416 1.600 -7.944 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.743 3.694 -6.336 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.686 2.041 -5.757 1.00 0.00 H new ATOM 561 N ASP A 38 16.175 4.938 -6.177 1.00 0.00 N ATOM 562 CA ASP A 38 16.967 6.103 -6.555 1.00 0.00 C ATOM 563 C ASP A 38 17.254 6.982 -5.341 1.00 0.00 C ATOM 564 O ASP A 38 18.391 7.395 -5.114 1.00 0.00 O ATOM 565 CB ASP A 38 16.239 6.915 -7.628 1.00 0.00 C ATOM 566 CG ASP A 38 16.865 8.278 -7.847 1.00 0.00 C ATOM 567 OD1 ASP A 38 18.110 8.371 -7.813 1.00 0.00 O ATOM 568 OD2 ASP A 38 16.111 9.251 -8.053 1.00 0.00 O ATOM 0 H ASP A 38 15.218 5.152 -5.897 1.00 0.00 H new ATOM 0 HA ASP A 38 17.916 5.751 -6.959 1.00 0.00 H new ATOM 0 HB2 ASP A 38 16.246 6.360 -8.566 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.195 7.040 -7.339 1.00 0.00 H new ATOM 573 N LYS A 39 16.214 7.267 -4.565 1.00 0.00 N ATOM 574 CA LYS A 39 16.352 8.097 -3.374 1.00 0.00 C ATOM 575 C LYS A 39 16.954 7.299 -2.222 1.00 0.00 C ATOM 576 O LYS A 39 17.618 7.857 -1.348 1.00 0.00 O ATOM 577 CB LYS A 39 14.992 8.663 -2.960 1.00 0.00 C ATOM 578 CG LYS A 39 14.520 9.812 -3.835 1.00 0.00 C ATOM 579 CD LYS A 39 13.005 9.936 -3.822 1.00 0.00 C ATOM 580 CE LYS A 39 12.487 10.560 -5.109 1.00 0.00 C ATOM 581 NZ LYS A 39 11.000 10.631 -5.131 1.00 0.00 N ATOM 0 H LYS A 39 15.265 6.935 -4.740 1.00 0.00 H new ATOM 0 HA LYS A 39 17.024 8.921 -3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.251 7.865 -2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.049 9.004 -1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.965 10.744 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.865 9.658 -4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.559 8.950 -3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.696 10.543 -2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.900 11.563 -5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.835 9.977 -5.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.681 10.934 -6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.604 9.693 -4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.675 11.315 -4.418 1.00 0.00 H new ATOM 595 N ASN A 40 16.719 5.991 -2.227 1.00 0.00 N ATOM 596 CA ASN A 40 17.240 5.117 -1.182 1.00 0.00 C ATOM 597 C ASN A 40 18.298 4.171 -1.741 1.00 0.00 C ATOM 598 O ASN A 40 17.981 3.225 -2.464 1.00 0.00 O ATOM 599 CB ASN A 40 16.103 4.311 -0.549 1.00 0.00 C ATOM 600 CG ASN A 40 16.372 3.976 0.905 1.00 0.00 C ATOM 601 OD1 ASN A 40 16.601 2.698 1.185 1.00 0.00 O flip ATOM 602 ND2 ASN A 40 16.375 4.855 1.767 1.00 0.00 N flip ATOM 0 H ASN A 40 16.171 5.513 -2.943 1.00 0.00 H new ATOM 0 HA ASN A 40 17.704 5.742 -0.418 1.00 0.00 H new ATOM 0 HB2 ASN A 40 15.175 4.878 -0.623 1.00 0.00 H new ATOM 0 HB3 ASN A 40 15.959 3.388 -1.111 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.194 5.825 1.507 1.00 0.00 H new ATOM 0 HD22 ASN A 40 16.558 4.614 2.741 1.00 0.00 H new ATOM 609 N HIS A 41 19.556 4.432 -1.401 1.00 0.00 N ATOM 610 CA HIS A 41 20.662 3.603 -1.868 1.00 0.00 C ATOM 611 C HIS A 41 21.008 2.530 -0.841 1.00 0.00 C ATOM 612 O HIS A 41 22.172 2.348 -0.487 1.00 0.00 O ATOM 613 CB HIS A 41 21.890 4.468 -2.153 1.00 0.00 C ATOM 614 CG HIS A 41 22.372 5.235 -0.960 1.00 0.00 C ATOM 615 ND1 HIS A 41 21.823 6.280 -0.298 1.00 0.00 N flip ATOM 616 CD2 HIS A 41 23.557 4.954 -0.313 1.00 0.00 C flip ATOM 617 CE1 HIS A 41 22.676 6.607 0.727 1.00 0.00 C flip ATOM 618 NE2 HIS A 41 23.714 5.792 0.696 1.00 0.00 N flip ATOM 0 H HIS A 41 19.835 5.211 -0.804 1.00 0.00 H new ATOM 0 HA HIS A 41 20.351 3.111 -2.790 1.00 0.00 H new ATOM 0 HB2 HIS A 41 22.697 3.831 -2.515 1.00 0.00 H new ATOM 0 HB3 HIS A 41 21.653 5.169 -2.954 1.00 0.00 H new ATOM 0 HD2 HIS A 41 24.248 4.171 -0.588 1.00 0.00 H new ATOM 0 HE1 HIS A 41 22.523 7.402 1.442 1.00 0.00 H new ATOM 0 HE2 HIS A 41 24.503 5.807 1.342 1.00 0.00 H new ATOM 626 N ALA A 42 19.988 1.822 -0.365 1.00 0.00 N ATOM 627 CA ALA A 42 20.185 0.766 0.620 1.00 0.00 C ATOM 628 C ALA A 42 19.533 -0.536 0.167 1.00 0.00 C ATOM 629 O ALA A 42 18.449 -0.545 -0.418 1.00 0.00 O ATOM 630 CB ALA A 42 19.630 1.195 1.970 1.00 0.00 C ATOM 0 H ALA A 42 19.017 1.961 -0.646 1.00 0.00 H new ATOM 0 HA ALA A 42 21.256 0.590 0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 42 19.784 0.397 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 42 20.145 2.095 2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 42 18.564 1.400 1.876 1.00 0.00 H new ATOM 636 N PRO A 43 20.206 -1.663 0.442 1.00 0.00 N ATOM 637 CA PRO A 43 19.710 -2.992 0.071 1.00 0.00 C ATOM 638 C PRO A 43 18.492 -3.405 0.889 1.00 0.00 C ATOM 639 O PRO A 43 18.429 -3.163 2.093 1.00 0.00 O ATOM 640 CB PRO A 43 20.896 -3.910 0.377 1.00 0.00 C ATOM 641 CG PRO A 43 21.671 -3.192 1.427 1.00 0.00 C ATOM 642 CD PRO A 43 21.503 -1.727 1.136 1.00 0.00 C ATOM 0 HA PRO A 43 19.381 -3.029 -0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 43 20.561 -4.885 0.730 1.00 0.00 H new ATOM 0 HB3 PRO A 43 21.502 -4.084 -0.512 1.00 0.00 H new ATOM 0 HG2 PRO A 43 21.300 -3.437 2.422 1.00 0.00 H new ATOM 0 HG3 PRO A 43 22.723 -3.477 1.400 1.00 0.00 H new ATOM 0 HD2 PRO A 43 21.499 -1.134 2.050 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.312 -1.346 0.512 1.00 0.00 H new ATOM 650 N GLY A 44 17.524 -4.030 0.225 1.00 0.00 N ATOM 651 CA GLY A 44 16.320 -4.467 0.907 1.00 0.00 C ATOM 652 C GLY A 44 15.219 -3.425 0.867 1.00 0.00 C ATOM 653 O GLY A 44 14.056 -3.749 0.629 1.00 0.00 O ATOM 0 H GLY A 44 17.552 -4.241 -0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.961 -5.388 0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.558 -4.699 1.945 1.00 0.00 H new ATOM 657 N ALA A 45 15.587 -2.169 1.101 1.00 0.00 N ATOM 658 CA ALA A 45 14.623 -1.076 1.090 1.00 0.00 C ATOM 659 C ALA A 45 13.766 -1.113 -0.172 1.00 0.00 C ATOM 660 O ALA A 45 12.538 -1.047 -0.104 1.00 0.00 O ATOM 661 CB ALA A 45 15.339 0.261 1.205 1.00 0.00 C ATOM 0 H ALA A 45 16.546 -1.884 1.300 1.00 0.00 H new ATOM 0 HA ALA A 45 13.964 -1.197 1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.606 1.068 1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.902 0.293 2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 45 16.022 0.381 0.364 1.00 0.00 H new ATOM 667 N THR A 46 14.421 -1.218 -1.324 1.00 0.00 N ATOM 668 CA THR A 46 13.720 -1.262 -2.600 1.00 0.00 C ATOM 669 C THR A 46 12.776 -2.456 -2.669 1.00 0.00 C ATOM 670 O THR A 46 11.577 -2.299 -2.897 1.00 0.00 O ATOM 671 CB THR A 46 14.707 -1.333 -3.781 1.00 0.00 C ATOM 672 OG1 THR A 46 15.928 -0.668 -3.440 1.00 0.00 O ATOM 673 CG2 THR A 46 14.108 -0.697 -5.026 1.00 0.00 C ATOM 0 H THR A 46 15.437 -1.274 -1.399 1.00 0.00 H new ATOM 0 HA THR A 46 13.141 -0.341 -2.674 1.00 0.00 H new ATOM 0 HB THR A 46 14.912 -2.383 -3.991 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.550 -0.719 -4.195 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.823 -0.759 -5.846 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.194 -1.224 -5.300 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.877 0.349 -4.825 1.00 0.00 H new ATOM 681 N GLU A 47 13.325 -3.651 -2.469 1.00 0.00 N ATOM 682 CA GLU A 47 12.530 -4.872 -2.509 1.00 0.00 C ATOM 683 C GLU A 47 11.165 -4.654 -1.862 1.00 0.00 C ATOM 684 O GLU A 47 10.160 -5.208 -2.307 1.00 0.00 O ATOM 685 CB GLU A 47 13.267 -6.010 -1.799 1.00 0.00 C ATOM 686 CG GLU A 47 14.263 -6.737 -2.687 1.00 0.00 C ATOM 687 CD GLU A 47 14.701 -8.067 -2.105 1.00 0.00 C ATOM 688 OE1 GLU A 47 13.822 -8.911 -1.829 1.00 0.00 O ATOM 689 OE2 GLU A 47 15.920 -8.264 -1.925 1.00 0.00 O ATOM 0 H GLU A 47 14.316 -3.799 -2.278 1.00 0.00 H new ATOM 0 HA GLU A 47 12.379 -5.143 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.792 -5.607 -0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.536 -6.727 -1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.816 -6.903 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.138 -6.105 -2.838 1.00 0.00 H new ATOM 696 N ALA A 48 11.138 -3.844 -0.810 1.00 0.00 N ATOM 697 CA ALA A 48 9.898 -3.551 -0.102 1.00 0.00 C ATOM 698 C ALA A 48 8.978 -2.676 -0.946 1.00 0.00 C ATOM 699 O ALA A 48 7.775 -2.924 -1.033 1.00 0.00 O ATOM 700 CB ALA A 48 10.196 -2.876 1.229 1.00 0.00 C ATOM 0 H ALA A 48 11.961 -3.378 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 48 9.386 -4.494 0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.261 -2.663 1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.808 -3.537 1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.733 -1.944 1.052 1.00 0.00 H new ATOM 706 N PHE A 49 9.550 -1.649 -1.567 1.00 0.00 N ATOM 707 CA PHE A 49 8.781 -0.736 -2.404 1.00 0.00 C ATOM 708 C PHE A 49 7.801 -1.502 -3.287 1.00 0.00 C ATOM 709 O PHE A 49 6.639 -1.118 -3.425 1.00 0.00 O ATOM 710 CB PHE A 49 9.718 0.105 -3.273 1.00 0.00 C ATOM 711 CG PHE A 49 8.997 1.055 -4.186 1.00 0.00 C ATOM 712 CD1 PHE A 49 7.917 1.792 -3.728 1.00 0.00 C ATOM 713 CD2 PHE A 49 9.399 1.210 -5.503 1.00 0.00 C ATOM 714 CE1 PHE A 49 7.251 2.667 -4.566 1.00 0.00 C ATOM 715 CE2 PHE A 49 8.737 2.084 -6.345 1.00 0.00 C ATOM 716 CZ PHE A 49 7.661 2.812 -5.877 1.00 0.00 C ATOM 0 H PHE A 49 10.544 -1.429 -1.506 1.00 0.00 H new ATOM 0 HA PHE A 49 8.213 -0.075 -1.750 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.388 0.672 -2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.340 -0.560 -3.872 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.591 1.682 -2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.239 0.642 -5.876 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.411 3.236 -4.196 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.061 2.197 -7.369 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.141 3.493 -6.534 1.00 0.00 H new ATOM 726 N LYS A 50 8.278 -2.589 -3.885 1.00 0.00 N ATOM 727 CA LYS A 50 7.446 -3.412 -4.755 1.00 0.00 C ATOM 728 C LYS A 50 6.175 -3.853 -4.035 1.00 0.00 C ATOM 729 O LYS A 50 5.095 -3.880 -4.624 1.00 0.00 O ATOM 730 CB LYS A 50 8.227 -4.639 -5.231 1.00 0.00 C ATOM 731 CG LYS A 50 8.087 -5.842 -4.314 1.00 0.00 C ATOM 732 CD LYS A 50 9.188 -6.860 -4.558 1.00 0.00 C ATOM 733 CE LYS A 50 8.897 -7.713 -5.784 1.00 0.00 C ATOM 734 NZ LYS A 50 9.962 -8.726 -6.021 1.00 0.00 N ATOM 0 H LYS A 50 9.237 -2.920 -3.783 1.00 0.00 H new ATOM 0 HA LYS A 50 7.163 -2.811 -5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.885 -4.912 -6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.282 -4.378 -5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.117 -5.514 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.116 -6.310 -4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.139 -6.344 -4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.292 -7.502 -3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.939 -8.217 -5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.806 -7.071 -6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.726 -9.286 -6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.872 -8.245 -6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.032 -9.355 -5.196 1.00 0.00 H new ATOM 748 N ALA A 51 6.312 -4.196 -2.758 1.00 0.00 N ATOM 749 CA ALA A 51 5.175 -4.632 -1.958 1.00 0.00 C ATOM 750 C ALA A 51 4.242 -3.466 -1.649 1.00 0.00 C ATOM 751 O ALA A 51 3.024 -3.635 -1.580 1.00 0.00 O ATOM 752 CB ALA A 51 5.655 -5.282 -0.669 1.00 0.00 C ATOM 0 H ALA A 51 7.200 -4.180 -2.256 1.00 0.00 H new ATOM 0 HA ALA A 51 4.616 -5.367 -2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.795 -5.603 -0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.275 -6.146 -0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.239 -4.563 -0.095 1.00 0.00 H new ATOM 758 N ILE A 52 4.821 -2.285 -1.463 1.00 0.00 N ATOM 759 CA ILE A 52 4.041 -1.091 -1.161 1.00 0.00 C ATOM 760 C ILE A 52 3.127 -0.723 -2.325 1.00 0.00 C ATOM 761 O ILE A 52 1.906 -0.683 -2.181 1.00 0.00 O ATOM 762 CB ILE A 52 4.950 0.109 -0.838 1.00 0.00 C ATOM 763 CG1 ILE A 52 6.130 -0.336 0.029 1.00 0.00 C ATOM 764 CG2 ILE A 52 4.155 1.202 -0.139 1.00 0.00 C ATOM 765 CD1 ILE A 52 6.891 0.814 0.650 1.00 0.00 C ATOM 0 H ILE A 52 5.828 -2.129 -1.516 1.00 0.00 H new ATOM 0 HA ILE A 52 3.435 -1.323 -0.285 1.00 0.00 H new ATOM 0 HB ILE A 52 5.341 0.512 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.763 -0.988 0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.814 -0.928 -0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.811 2.044 0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.345 1.535 -0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.739 0.812 0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.713 0.424 1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.289 1.454 -0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.221 1.393 1.285 1.00 0.00 H new ATOM 777 N GLY A 53 3.728 -0.457 -3.481 1.00 0.00 N ATOM 778 CA GLY A 53 2.953 -0.098 -4.654 1.00 0.00 C ATOM 779 C GLY A 53 1.728 -0.974 -4.831 1.00 0.00 C ATOM 780 O GLY A 53 0.638 -0.479 -5.119 1.00 0.00 O ATOM 0 H GLY A 53 4.737 -0.484 -3.626 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.642 0.944 -4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.583 -0.177 -5.540 1.00 0.00 H new ATOM 784 N THR A 54 1.907 -2.280 -4.660 1.00 0.00 N ATOM 785 CA THR A 54 0.809 -3.227 -4.805 1.00 0.00 C ATOM 786 C THR A 54 -0.383 -2.823 -3.944 1.00 0.00 C ATOM 787 O THR A 54 -1.512 -2.746 -4.428 1.00 0.00 O ATOM 788 CB THR A 54 1.243 -4.654 -4.422 1.00 0.00 C ATOM 789 OG1 THR A 54 2.477 -4.981 -5.070 1.00 0.00 O ATOM 790 CG2 THR A 54 0.177 -5.667 -4.810 1.00 0.00 C ATOM 0 H THR A 54 2.802 -2.706 -4.421 1.00 0.00 H new ATOM 0 HA THR A 54 0.517 -3.213 -5.855 1.00 0.00 H new ATOM 0 HB THR A 54 1.379 -4.690 -3.341 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.219 -4.552 -4.595 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.506 -6.667 -4.529 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.753 -5.433 -4.292 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.013 -5.628 -5.887 1.00 0.00 H new ATOM 798 N ALA A 55 -0.124 -2.565 -2.667 1.00 0.00 N ATOM 799 CA ALA A 55 -1.176 -2.166 -1.739 1.00 0.00 C ATOM 800 C ALA A 55 -1.815 -0.850 -2.168 1.00 0.00 C ATOM 801 O ALA A 55 -3.021 -0.783 -2.406 1.00 0.00 O ATOM 802 CB ALA A 55 -0.619 -2.050 -0.328 1.00 0.00 C ATOM 0 H ALA A 55 0.805 -2.625 -2.251 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.948 -2.935 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.415 -1.752 0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.216 -3.013 -0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.174 -1.302 -0.310 1.00 0.00 H new ATOM 808 N TYR A 56 -1.000 0.195 -2.264 1.00 0.00 N ATOM 809 CA TYR A 56 -1.487 1.510 -2.661 1.00 0.00 C ATOM 810 C TYR A 56 -2.377 1.412 -3.896 1.00 0.00 C ATOM 811 O TYR A 56 -3.477 1.964 -3.928 1.00 0.00 O ATOM 812 CB TYR A 56 -0.312 2.450 -2.939 1.00 0.00 C ATOM 813 CG TYR A 56 -0.720 3.754 -3.585 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.355 4.748 -2.851 1.00 0.00 C ATOM 815 CD2 TYR A 56 -0.468 3.994 -4.931 1.00 0.00 C ATOM 816 CE1 TYR A 56 -1.730 5.941 -3.437 1.00 0.00 C ATOM 817 CE2 TYR A 56 -0.838 5.185 -5.525 1.00 0.00 C ATOM 818 CZ TYR A 56 -1.470 6.155 -4.775 1.00 0.00 C ATOM 819 OH TYR A 56 -1.840 7.343 -5.362 1.00 0.00 O ATOM 0 H TYR A 56 0.001 0.156 -2.072 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.080 1.913 -1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.201 2.664 -2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.404 1.942 -3.586 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.559 4.585 -1.803 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.025 3.237 -5.522 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.224 6.702 -2.851 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.633 5.356 -6.572 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.584 7.334 -6.308 1.00 0.00 H new ATOM 829 N ALA A 57 -1.893 0.704 -4.911 1.00 0.00 N ATOM 830 CA ALA A 57 -2.645 0.529 -6.148 1.00 0.00 C ATOM 831 C ALA A 57 -4.066 0.053 -5.864 1.00 0.00 C ATOM 832 O ALA A 57 -5.035 0.640 -6.346 1.00 0.00 O ATOM 833 CB ALA A 57 -1.931 -0.452 -7.066 1.00 0.00 C ATOM 0 H ALA A 57 -0.984 0.242 -4.901 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.707 1.496 -6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.504 -0.573 -7.985 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.938 -0.071 -7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.839 -1.416 -6.567 1.00 0.00 H new ATOM 839 N VAL A 58 -4.182 -1.014 -5.081 1.00 0.00 N ATOM 840 CA VAL A 58 -5.485 -1.569 -4.733 1.00 0.00 C ATOM 841 C VAL A 58 -6.357 -0.529 -4.038 1.00 0.00 C ATOM 842 O VAL A 58 -7.359 -0.073 -4.592 1.00 0.00 O ATOM 843 CB VAL A 58 -5.345 -2.799 -3.818 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.710 -3.261 -3.330 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.621 -3.923 -4.544 1.00 0.00 C ATOM 0 H VAL A 58 -3.390 -1.512 -4.675 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.959 -1.872 -5.666 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.752 -2.517 -2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.590 -4.131 -2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.187 -2.457 -2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.332 -3.526 -4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.531 -4.785 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.186 -4.205 -5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.627 -3.585 -4.838 1.00 0.00 H new ATOM 855 N LEU A 59 -5.970 -0.158 -2.823 1.00 0.00 N ATOM 856 CA LEU A 59 -6.717 0.830 -2.051 1.00 0.00 C ATOM 857 C LEU A 59 -6.949 2.097 -2.868 1.00 0.00 C ATOM 858 O LEU A 59 -8.089 2.471 -3.142 1.00 0.00 O ATOM 859 CB LEU A 59 -5.968 1.171 -0.762 1.00 0.00 C ATOM 860 CG LEU A 59 -5.585 -0.015 0.125 1.00 0.00 C ATOM 861 CD1 LEU A 59 -4.754 0.452 1.310 1.00 0.00 C ATOM 862 CD2 LEU A 59 -6.830 -0.749 0.601 1.00 0.00 C ATOM 0 H LEU A 59 -5.144 -0.526 -2.351 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.686 0.400 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.058 1.711 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.585 1.853 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.983 -0.706 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.491 -0.405 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.844 0.932 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.331 1.164 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.538 -1.590 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.458 -0.067 1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.387 -1.117 -0.261 1.00 0.00 H new ATOM 874 N SER A 60 -5.860 2.753 -3.256 1.00 0.00 N ATOM 875 CA SER A 60 -5.944 3.979 -4.040 1.00 0.00 C ATOM 876 C SER A 60 -7.078 3.896 -5.058 1.00 0.00 C ATOM 877 O SER A 60 -7.651 4.911 -5.450 1.00 0.00 O ATOM 878 CB SER A 60 -4.619 4.244 -4.756 1.00 0.00 C ATOM 879 OG SER A 60 -4.400 3.300 -5.791 1.00 0.00 O ATOM 0 H SER A 60 -4.909 2.455 -3.040 1.00 0.00 H new ATOM 0 HA SER A 60 -6.151 4.804 -3.358 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.623 5.251 -5.173 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.799 4.199 -4.039 1.00 0.00 H new ATOM 0 HG SER A 60 -4.480 2.393 -5.429 1.00 0.00 H new ATOM 885 N ASN A 61 -7.395 2.677 -5.482 1.00 0.00 N ATOM 886 CA ASN A 61 -8.459 2.459 -6.456 1.00 0.00 C ATOM 887 C ASN A 61 -9.776 2.133 -5.758 1.00 0.00 C ATOM 888 O ASN A 61 -9.818 1.402 -4.768 1.00 0.00 O ATOM 889 CB ASN A 61 -8.081 1.325 -7.411 1.00 0.00 C ATOM 890 CG ASN A 61 -9.193 0.997 -8.388 1.00 0.00 C ATOM 891 OD1 ASN A 61 -10.366 0.945 -8.017 1.00 0.00 O ATOM 892 ND2 ASN A 61 -8.829 0.774 -9.646 1.00 0.00 N ATOM 0 H ASN A 61 -6.931 1.825 -5.167 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.588 3.378 -7.028 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.185 1.604 -7.965 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.834 0.434 -6.833 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.533 0.549 -10.349 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -7.845 0.828 -9.909 1.00 0.00 H new ATOM 899 N PRO A 62 -10.878 2.686 -6.285 1.00 0.00 N ATOM 900 CA PRO A 62 -12.217 2.467 -5.730 1.00 0.00 C ATOM 901 C PRO A 62 -12.710 1.041 -5.949 1.00 0.00 C ATOM 902 O PRO A 62 -13.145 0.375 -5.011 1.00 0.00 O ATOM 903 CB PRO A 62 -13.089 3.459 -6.505 1.00 0.00 C ATOM 904 CG PRO A 62 -12.366 3.675 -7.790 1.00 0.00 C ATOM 905 CD PRO A 62 -10.902 3.567 -7.465 1.00 0.00 C ATOM 0 HA PRO A 62 -12.239 2.612 -4.650 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.088 3.059 -6.675 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.209 4.393 -5.956 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.657 2.931 -8.531 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.601 4.653 -8.211 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.337 3.143 -8.295 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.466 4.542 -7.247 1.00 0.00 H new ATOM 913 N GLU A 63 -12.637 0.579 -7.193 1.00 0.00 N ATOM 914 CA GLU A 63 -13.076 -0.769 -7.534 1.00 0.00 C ATOM 915 C GLU A 63 -12.239 -1.815 -6.804 1.00 0.00 C ATOM 916 O GLU A 63 -12.764 -2.626 -6.040 1.00 0.00 O ATOM 917 CB GLU A 63 -12.987 -0.992 -9.045 1.00 0.00 C ATOM 918 CG GLU A 63 -13.864 -0.050 -9.852 1.00 0.00 C ATOM 919 CD GLU A 63 -15.303 -0.521 -9.936 1.00 0.00 C ATOM 920 OE1 GLU A 63 -15.528 -1.660 -10.397 1.00 0.00 O ATOM 921 OE2 GLU A 63 -16.204 0.248 -9.541 1.00 0.00 O ATOM 0 H GLU A 63 -12.278 1.118 -7.981 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.114 -0.875 -7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.951 -0.871 -9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.270 -2.020 -9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.836 0.942 -9.401 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.458 0.046 -10.859 1.00 0.00 H new ATOM 928 N LYS A 64 -10.932 -1.791 -7.045 1.00 0.00 N ATOM 929 CA LYS A 64 -10.020 -2.736 -6.411 1.00 0.00 C ATOM 930 C LYS A 64 -10.224 -2.759 -4.900 1.00 0.00 C ATOM 931 O LYS A 64 -10.089 -3.803 -4.262 1.00 0.00 O ATOM 932 CB LYS A 64 -8.569 -2.371 -6.735 1.00 0.00 C ATOM 933 CG LYS A 64 -8.290 -2.251 -8.224 1.00 0.00 C ATOM 934 CD LYS A 64 -6.853 -2.619 -8.553 1.00 0.00 C ATOM 935 CE LYS A 64 -6.714 -4.101 -8.864 1.00 0.00 C ATOM 936 NZ LYS A 64 -5.307 -4.568 -8.722 1.00 0.00 N ATOM 0 H LYS A 64 -10.481 -1.127 -7.675 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.235 -3.730 -6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.324 -1.426 -6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.909 -3.127 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.969 -2.901 -8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.489 -1.231 -8.552 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.513 -2.034 -9.407 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.209 -2.361 -7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.356 -4.674 -8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.060 -4.293 -9.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.254 -5.583 -8.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.698 -4.039 -9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.985 -4.409 -7.746 1.00 0.00 H new ATOM 950 N ARG A 65 -10.551 -1.602 -4.334 1.00 0.00 N ATOM 951 CA ARG A 65 -10.774 -1.490 -2.897 1.00 0.00 C ATOM 952 C ARG A 65 -11.998 -2.296 -2.473 1.00 0.00 C ATOM 953 O ARG A 65 -11.973 -3.000 -1.464 1.00 0.00 O ATOM 954 CB ARG A 65 -10.951 -0.024 -2.500 1.00 0.00 C ATOM 955 CG ARG A 65 -11.413 0.166 -1.064 1.00 0.00 C ATOM 956 CD ARG A 65 -11.268 1.613 -0.619 1.00 0.00 C ATOM 957 NE ARG A 65 -11.951 1.868 0.646 1.00 0.00 N ATOM 958 CZ ARG A 65 -13.273 1.873 0.780 1.00 0.00 C ATOM 959 NH1 ARG A 65 -14.049 1.638 -0.269 1.00 0.00 N ATOM 960 NH2 ARG A 65 -13.820 2.113 1.965 1.00 0.00 N ATOM 0 H ARG A 65 -10.667 -0.729 -4.848 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.900 -1.894 -2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.005 0.499 -2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.674 0.440 -3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.455 -0.141 -0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.831 -0.479 -0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.211 1.856 -0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.672 2.271 -1.388 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.382 2.052 1.472 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.631 1.453 -1.181 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -15.064 1.642 -0.164 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.226 2.294 2.774 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.835 2.117 2.067 1.00 0.00 H new ATOM 974 N LYS A 66 -13.070 -2.186 -3.250 1.00 0.00 N ATOM 975 CA LYS A 66 -14.305 -2.904 -2.957 1.00 0.00 C ATOM 976 C LYS A 66 -14.022 -4.371 -2.651 1.00 0.00 C ATOM 977 O LYS A 66 -14.366 -4.868 -1.579 1.00 0.00 O ATOM 978 CB LYS A 66 -15.275 -2.795 -4.136 1.00 0.00 C ATOM 979 CG LYS A 66 -15.807 -1.390 -4.358 1.00 0.00 C ATOM 980 CD LYS A 66 -16.642 -1.304 -5.625 1.00 0.00 C ATOM 981 CE LYS A 66 -18.069 -1.774 -5.384 1.00 0.00 C ATOM 982 NZ LYS A 66 -18.888 -1.720 -6.627 1.00 0.00 N ATOM 0 H LYS A 66 -13.109 -1.606 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.760 -2.449 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.771 -3.131 -5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.114 -3.470 -3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.411 -1.089 -3.502 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.974 -0.690 -4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.652 -0.276 -5.986 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.184 -1.912 -6.406 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.056 -2.795 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.531 -1.153 -4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.853 -2.048 -6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.922 -0.742 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.461 -2.333 -7.351 1.00 0.00 H new ATOM 996 N GLN A 67 -13.394 -5.058 -3.600 1.00 0.00 N ATOM 997 CA GLN A 67 -13.065 -6.468 -3.430 1.00 0.00 C ATOM 998 C GLN A 67 -12.227 -6.684 -2.174 1.00 0.00 C ATOM 999 O GLN A 67 -12.398 -7.676 -1.465 1.00 0.00 O ATOM 1000 CB GLN A 67 -12.312 -6.989 -4.656 1.00 0.00 C ATOM 1001 CG GLN A 67 -11.021 -6.239 -4.940 1.00 0.00 C ATOM 1002 CD GLN A 67 -10.105 -6.993 -5.885 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -9.714 -6.476 -6.932 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -9.757 -8.221 -5.519 1.00 0.00 N ATOM 0 H GLN A 67 -13.103 -4.661 -4.494 1.00 0.00 H new ATOM 0 HA GLN A 67 -13.997 -7.022 -3.322 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.085 -8.045 -4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.962 -6.920 -5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.258 -5.265 -5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.498 -6.055 -4.002 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.105 -8.610 -4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.142 -8.776 -6.114 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.321 -5.751 -1.906 1.00 0.00 N ATOM 1014 CA TYR A 68 -10.455 -5.841 -0.737 1.00 0.00 C ATOM 1015 C TYR A 68 -11.263 -5.720 0.552 1.00 0.00 C ATOM 1016 O TYR A 68 -10.957 -6.367 1.553 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.384 -4.749 -0.784 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.652 -4.561 0.525 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -8.065 -5.640 1.176 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -8.548 -3.307 1.113 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -7.395 -5.473 2.373 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -7.879 -3.131 2.308 1.00 0.00 C ATOM 1023 CZ TYR A 68 -7.305 -4.217 2.935 1.00 0.00 C ATOM 1024 OH TYR A 68 -6.639 -4.046 4.127 1.00 0.00 O ATOM 0 H TYR A 68 -11.167 -4.924 -2.482 1.00 0.00 H new ATOM 0 HA TYR A 68 -9.971 -6.817 -0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.661 -4.994 -1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.851 -3.806 -1.068 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.134 -6.625 0.739 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.998 -2.454 0.627 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.944 -6.322 2.866 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.806 -2.148 2.749 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.694 -3.107 4.401 1.00 0.00 H new ATOM 1034 N ASP A 69 -12.297 -4.887 0.517 1.00 0.00 N ATOM 1035 CA ASP A 69 -13.152 -4.681 1.680 1.00 0.00 C ATOM 1036 C ASP A 69 -14.180 -5.801 1.804 1.00 0.00 C ATOM 1037 O ASP A 69 -14.621 -6.133 2.904 1.00 0.00 O ATOM 1038 CB ASP A 69 -13.861 -3.329 1.586 1.00 0.00 C ATOM 1039 CG ASP A 69 -13.036 -2.200 2.172 1.00 0.00 C ATOM 1040 OD1 ASP A 69 -12.348 -2.433 3.189 1.00 0.00 O ATOM 1041 OD2 ASP A 69 -13.077 -1.084 1.615 1.00 0.00 O ATOM 0 H ASP A 69 -12.563 -4.343 -0.304 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.522 -4.691 2.569 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.081 -3.110 0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.816 -3.386 2.108 1.00 0.00 H new ATOM 1046 N GLN A 70 -14.559 -6.378 0.668 1.00 0.00 N ATOM 1047 CA GLN A 70 -15.537 -7.459 0.650 1.00 0.00 C ATOM 1048 C GLN A 70 -14.864 -8.805 0.897 1.00 0.00 C ATOM 1049 O GLN A 70 -15.136 -9.472 1.896 1.00 0.00 O ATOM 1050 CB GLN A 70 -16.277 -7.483 -0.689 1.00 0.00 C ATOM 1051 CG GLN A 70 -17.526 -6.617 -0.710 1.00 0.00 C ATOM 1052 CD GLN A 70 -17.241 -5.174 -0.343 1.00 0.00 C ATOM 1053 OE1 GLN A 70 -16.989 -4.854 0.819 1.00 0.00 O ATOM 1054 NE2 GLN A 70 -17.279 -4.292 -1.336 1.00 0.00 N ATOM 0 H GLN A 70 -14.204 -6.115 -0.251 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.255 -7.280 1.450 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.600 -7.148 -1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -16.554 -8.511 -0.923 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.973 -6.654 -1.704 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -18.259 -7.027 -0.015 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.492 -4.601 -2.285 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.095 -3.306 -1.150 1.00 0.00 H new ATOM 1063 N PHE A 71 -13.986 -9.199 -0.019 1.00 0.00 N ATOM 1064 CA PHE A 71 -13.275 -10.467 0.099 1.00 0.00 C ATOM 1065 C PHE A 71 -11.949 -10.281 0.830 1.00 0.00 C ATOM 1066 O PHE A 71 -11.731 -10.851 1.899 1.00 0.00 O ATOM 1067 CB PHE A 71 -13.027 -11.068 -1.286 1.00 0.00 C ATOM 1068 CG PHE A 71 -14.261 -11.645 -1.919 1.00 0.00 C ATOM 1069 CD1 PHE A 71 -15.232 -10.816 -2.457 1.00 0.00 C ATOM 1070 CD2 PHE A 71 -14.451 -13.016 -1.975 1.00 0.00 C ATOM 1071 CE1 PHE A 71 -16.369 -11.343 -3.040 1.00 0.00 C ATOM 1072 CE2 PHE A 71 -15.585 -13.549 -2.557 1.00 0.00 C ATOM 1073 CZ PHE A 71 -16.546 -12.712 -3.090 1.00 0.00 C ATOM 0 H PHE A 71 -13.750 -8.659 -0.851 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.896 -11.151 0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -12.619 -10.297 -1.940 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -12.271 -11.849 -1.204 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -15.099 -9.745 -2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -13.704 -13.676 -1.559 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -17.118 -10.685 -3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -15.720 -14.620 -2.595 1.00 0.00 H new ATOM 0 HZ PHE A 71 -17.433 -13.127 -3.545 1.00 0.00 H new ATOM 1083 N GLY A 72 -11.064 -9.480 0.245 1.00 0.00 N ATOM 1084 CA GLY A 72 -9.770 -9.233 0.853 1.00 0.00 C ATOM 1085 C GLY A 72 -9.842 -9.177 2.366 1.00 0.00 C ATOM 1086 O GLY A 72 -9.009 -9.765 3.056 1.00 0.00 O ATOM 0 H GLY A 72 -11.220 -8.997 -0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.076 -10.018 0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.369 -8.292 0.476 1.00 0.00 H new ATOM 1090 N SER A 73 -10.838 -8.466 2.884 1.00 0.00 N ATOM 1091 CA SER A 73 -11.012 -8.330 4.325 1.00 0.00 C ATOM 1092 C SER A 73 -12.396 -8.810 4.753 1.00 0.00 C ATOM 1093 O SER A 73 -13.388 -8.573 4.064 1.00 0.00 O ATOM 1094 CB SER A 73 -10.811 -6.874 4.750 1.00 0.00 C ATOM 1095 OG SER A 73 -11.161 -6.687 6.110 1.00 0.00 O ATOM 0 H SER A 73 -11.537 -7.975 2.327 1.00 0.00 H new ATOM 0 HA SER A 73 -10.263 -8.951 4.816 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.771 -6.587 4.596 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.418 -6.221 4.122 1.00 0.00 H new ATOM 0 HG SER A 73 -11.022 -5.749 6.358 1.00 0.00 H new ATOM 1101 N GLY A 74 -12.455 -9.486 5.896 1.00 0.00 N ATOM 1102 CA GLY A 74 -13.720 -9.989 6.397 1.00 0.00 C ATOM 1103 C GLY A 74 -13.979 -9.579 7.834 1.00 0.00 C ATOM 1104 O GLY A 74 -14.464 -8.482 8.111 1.00 0.00 O ATOM 0 H GLY A 74 -11.648 -9.694 6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.529 -9.621 5.766 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.729 -11.077 6.325 1.00 0.00 H new ATOM 1108 N PRO A 75 -13.653 -10.476 8.777 1.00 0.00 N ATOM 1109 CA PRO A 75 -13.846 -10.225 10.208 1.00 0.00 C ATOM 1110 C PRO A 75 -12.889 -9.166 10.745 1.00 0.00 C ATOM 1111 O PRO A 75 -11.833 -8.918 10.162 1.00 0.00 O ATOM 1112 CB PRO A 75 -13.554 -11.584 10.849 1.00 0.00 C ATOM 1113 CG PRO A 75 -12.652 -12.272 9.884 1.00 0.00 C ATOM 1114 CD PRO A 75 -13.072 -11.804 8.518 1.00 0.00 C ATOM 0 HA PRO A 75 -14.843 -9.842 10.424 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -13.078 -11.468 11.823 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -14.471 -12.152 11.008 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.609 -12.022 10.078 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -12.742 -13.355 9.970 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -12.225 -11.746 7.835 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -13.799 -12.480 8.067 1.00 0.00 H new ATOM 1122 N SER A 76 -13.264 -8.546 11.859 1.00 0.00 N ATOM 1123 CA SER A 76 -12.439 -7.512 12.473 1.00 0.00 C ATOM 1124 C SER A 76 -11.026 -8.026 12.731 1.00 0.00 C ATOM 1125 O SER A 76 -10.823 -8.942 13.528 1.00 0.00 O ATOM 1126 CB SER A 76 -13.070 -7.038 13.783 1.00 0.00 C ATOM 1127 OG SER A 76 -12.386 -5.909 14.300 1.00 0.00 O ATOM 0 H SER A 76 -14.134 -8.742 12.355 1.00 0.00 H new ATOM 0 HA SER A 76 -12.379 -6.671 11.782 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.118 -6.787 13.616 1.00 0.00 H new ATOM 0 HB3 SER A 76 -13.048 -7.846 14.514 1.00 0.00 H new ATOM 0 HG SER A 76 -12.810 -5.625 15.137 1.00 0.00 H new ATOM 1133 N SER A 77 -10.052 -7.428 12.053 1.00 0.00 N ATOM 1134 CA SER A 77 -8.658 -7.827 12.205 1.00 0.00 C ATOM 1135 C SER A 77 -7.768 -6.611 12.443 1.00 0.00 C ATOM 1136 O SER A 77 -8.131 -5.486 12.103 1.00 0.00 O ATOM 1137 CB SER A 77 -8.183 -8.585 10.964 1.00 0.00 C ATOM 1138 OG SER A 77 -8.070 -7.717 9.849 1.00 0.00 O ATOM 0 H SER A 77 -10.203 -6.665 11.393 1.00 0.00 H new ATOM 0 HA SER A 77 -8.587 -8.484 13.072 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.218 -9.051 11.166 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.883 -9.388 10.734 1.00 0.00 H new ATOM 0 HG SER A 77 -7.763 -8.225 9.069 1.00 0.00 H new ATOM 1144 N GLY A 78 -6.599 -6.847 13.032 1.00 0.00 N ATOM 1145 CA GLY A 78 -5.675 -5.762 13.306 1.00 0.00 C ATOM 1146 C GLY A 78 -5.608 -4.757 12.174 1.00 0.00 C ATOM 1147 O GLY A 78 -5.809 -3.561 12.384 1.00 0.00 O ATOM 0 H GLY A 78 -6.276 -7.769 13.324 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.978 -5.254 14.221 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.681 -6.172 13.483 1.00 0.00 H new TER 1151 GLY A 78