USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 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 30 HIS : no HD1:sc= -0.276 K(o=-2,f=-1.4) USER MOD Set 1.2: A 41 MET CE :methyl -148:sc= -1.71 (180deg=-1.74) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -156:sc= -0.0653 (180deg=-0.527) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.05! C(o=-2.1!,f=-3.1!) USER MOD Single : A 25 GLN : amide:sc= -0.0322 K(o=-0.032,f=-2.6!) USER MOD Single : A 28 THR OG1 : rot 72:sc= 1.08 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -119:sc= -0.388 (180deg=-1.69) USER MOD Single : A 50 GLN : amide:sc= -0.105 K(o=-0.1,f=-3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0512 X(o=-0.051,f=-0.16) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= -0.0455 (180deg=-0.162) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.149 X(o=0.15,f=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 101:sc= 0.0498 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.517 -9.481 3.755 1.00 0.00 N ATOM 2 CA GLY A 1 12.683 -10.587 3.321 1.00 0.00 C ATOM 3 C GLY A 1 11.209 -10.232 3.309 1.00 0.00 C ATOM 4 O GLY A 1 10.684 -9.697 4.286 1.00 0.00 O ATOM 0 H1 GLY A 1 14.515 -9.774 3.746 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.387 -8.675 3.111 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.247 -9.201 4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.987 -10.897 2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.843 -11.439 3.981 1.00 0.00 H new ATOM 8 N SER A 2 10.539 -10.527 2.199 1.00 0.00 N ATOM 9 CA SER A 2 9.119 -10.231 2.062 1.00 0.00 C ATOM 10 C SER A 2 8.293 -11.062 3.041 1.00 0.00 C ATOM 11 O SER A 2 8.661 -12.185 3.381 1.00 0.00 O ATOM 12 CB SER A 2 8.656 -10.502 0.629 1.00 0.00 C ATOM 13 OG SER A 2 7.379 -9.936 0.390 1.00 0.00 O ATOM 0 H SER A 2 10.958 -10.971 1.382 1.00 0.00 H new ATOM 0 HA SER A 2 8.969 -9.176 2.292 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.378 -10.088 -0.074 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.620 -11.577 0.452 1.00 0.00 H new ATOM 0 HG SER A 2 7.106 -10.122 -0.533 1.00 0.00 H new ATOM 19 N SER A 3 7.175 -10.498 3.487 1.00 0.00 N ATOM 20 CA SER A 3 6.299 -11.183 4.431 1.00 0.00 C ATOM 21 C SER A 3 4.994 -11.598 3.756 1.00 0.00 C ATOM 22 O SER A 3 4.221 -10.756 3.302 1.00 0.00 O ATOM 23 CB SER A 3 6.002 -10.283 5.631 1.00 0.00 C ATOM 24 OG SER A 3 5.779 -11.049 6.802 1.00 0.00 O ATOM 0 H SER A 3 6.855 -9.570 3.210 1.00 0.00 H new ATOM 0 HA SER A 3 6.811 -12.080 4.779 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.837 -9.601 5.793 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.125 -9.670 5.421 1.00 0.00 H new ATOM 0 HG SER A 3 5.593 -10.449 7.555 1.00 0.00 H new ATOM 30 N GLY A 4 4.757 -12.905 3.694 1.00 0.00 N ATOM 31 CA GLY A 4 3.547 -13.411 3.074 1.00 0.00 C ATOM 32 C GLY A 4 3.827 -14.188 1.804 1.00 0.00 C ATOM 33 O GLY A 4 4.385 -13.648 0.848 1.00 0.00 O ATOM 0 H GLY A 4 5.382 -13.622 4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.022 -14.053 3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.883 -12.577 2.847 1.00 0.00 H new ATOM 37 N SER A 5 3.442 -15.460 1.792 1.00 0.00 N ATOM 38 CA SER A 5 3.660 -16.315 0.632 1.00 0.00 C ATOM 39 C SER A 5 2.369 -16.497 -0.160 1.00 0.00 C ATOM 40 O SER A 5 2.361 -16.404 -1.387 1.00 0.00 O ATOM 41 CB SER A 5 4.200 -17.678 1.069 1.00 0.00 C ATOM 42 OG SER A 5 5.580 -17.604 1.382 1.00 0.00 O ATOM 0 H SER A 5 2.977 -15.921 2.574 1.00 0.00 H new ATOM 0 HA SER A 5 4.395 -15.831 -0.011 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.645 -18.031 1.939 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.043 -18.407 0.274 1.00 0.00 H new ATOM 0 HG SER A 5 5.900 -18.488 1.660 1.00 0.00 H new ATOM 48 N SER A 6 1.278 -16.758 0.552 1.00 0.00 N ATOM 49 CA SER A 6 -0.021 -16.957 -0.082 1.00 0.00 C ATOM 50 C SER A 6 -0.918 -15.740 0.123 1.00 0.00 C ATOM 51 O SER A 6 -0.575 -14.819 0.863 1.00 0.00 O ATOM 52 CB SER A 6 -0.700 -18.207 0.480 1.00 0.00 C ATOM 53 OG SER A 6 -0.282 -19.370 -0.213 1.00 0.00 O ATOM 0 H SER A 6 1.267 -16.837 1.569 1.00 0.00 H new ATOM 0 HA SER A 6 0.141 -17.090 -1.152 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.465 -18.307 1.540 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.782 -18.103 0.402 1.00 0.00 H new ATOM 0 HG SER A 6 -0.729 -20.155 0.166 1.00 0.00 H new ATOM 59 N GLY A 7 -2.071 -15.745 -0.540 1.00 0.00 N ATOM 60 CA GLY A 7 -3.000 -14.637 -0.418 1.00 0.00 C ATOM 61 C GLY A 7 -2.836 -13.617 -1.527 1.00 0.00 C ATOM 62 O GLY A 7 -1.841 -13.611 -2.252 1.00 0.00 O ATOM 0 H GLY A 7 -2.378 -16.496 -1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.020 -15.020 -0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.853 -14.148 0.545 1.00 0.00 H new ATOM 66 N PRO A 8 -3.831 -12.730 -1.673 1.00 0.00 N ATOM 67 CA PRO A 8 -3.815 -11.684 -2.700 1.00 0.00 C ATOM 68 C PRO A 8 -2.768 -10.612 -2.421 1.00 0.00 C ATOM 69 O PRO A 8 -2.518 -10.258 -1.268 1.00 0.00 O ATOM 70 CB PRO A 8 -5.224 -11.090 -2.623 1.00 0.00 C ATOM 71 CG PRO A 8 -5.675 -11.367 -1.230 1.00 0.00 C ATOM 72 CD PRO A 8 -5.048 -12.677 -0.844 1.00 0.00 C ATOM 0 HA PRO A 8 -3.558 -12.081 -3.682 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.215 -10.020 -2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.889 -11.551 -3.354 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.363 -10.571 -0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.762 -11.424 -1.176 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.812 -12.712 0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.712 -13.517 -1.050 1.00 0.00 H new ATOM 80 N LYS A 9 -2.157 -10.097 -3.482 1.00 0.00 N ATOM 81 CA LYS A 9 -1.137 -9.063 -3.352 1.00 0.00 C ATOM 82 C LYS A 9 -1.774 -7.683 -3.226 1.00 0.00 C ATOM 83 O LYS A 9 -2.184 -7.085 -4.221 1.00 0.00 O ATOM 84 CB LYS A 9 -0.195 -9.093 -4.558 1.00 0.00 C ATOM 85 CG LYS A 9 1.176 -8.506 -4.273 1.00 0.00 C ATOM 86 CD LYS A 9 2.220 -9.028 -5.245 1.00 0.00 C ATOM 87 CE LYS A 9 2.761 -10.381 -4.808 1.00 0.00 C ATOM 88 NZ LYS A 9 3.522 -10.288 -3.531 1.00 0.00 N ATOM 0 H LYS A 9 -2.351 -10.379 -4.443 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.565 -9.264 -2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.077 -10.124 -4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.653 -8.543 -5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.128 -7.419 -4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.473 -8.751 -3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.782 -9.114 -6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.040 -8.314 -5.318 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.934 -11.081 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.408 -10.783 -5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.194 -11.079 -3.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.043 -9.388 -3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.861 -10.332 -2.729 1.00 0.00 H new ATOM 102 N ALA A 10 -1.853 -7.183 -1.997 1.00 0.00 N ATOM 103 CA ALA A 10 -2.437 -5.872 -1.741 1.00 0.00 C ATOM 104 C ALA A 10 -2.006 -4.863 -2.800 1.00 0.00 C ATOM 105 O ALA A 10 -0.870 -4.388 -2.814 1.00 0.00 O ATOM 106 CB ALA A 10 -2.049 -5.383 -0.354 1.00 0.00 C ATOM 0 H ALA A 10 -1.520 -7.666 -1.163 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.522 -5.969 -1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.492 -4.403 -0.177 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.413 -6.087 0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.964 -5.308 -0.285 1.00 0.00 H new ATOM 112 N PRO A 11 -2.931 -4.528 -3.711 1.00 0.00 N ATOM 113 CA PRO A 11 -2.669 -3.572 -4.791 1.00 0.00 C ATOM 114 C PRO A 11 -2.517 -2.145 -4.279 1.00 0.00 C ATOM 115 O PRO A 11 -3.344 -1.660 -3.507 1.00 0.00 O ATOM 116 CB PRO A 11 -3.911 -3.691 -5.679 1.00 0.00 C ATOM 117 CG PRO A 11 -4.985 -4.172 -4.765 1.00 0.00 C ATOM 118 CD PRO A 11 -4.305 -5.056 -3.756 1.00 0.00 C ATOM 0 HA PRO A 11 -1.735 -3.789 -5.309 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.172 -2.732 -6.126 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.746 -4.390 -6.499 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.485 -3.336 -4.277 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.748 -4.723 -5.315 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.789 -5.000 -2.781 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.324 -6.102 -4.061 1.00 0.00 H new ATOM 126 N VAL A 12 -1.454 -1.476 -4.712 1.00 0.00 N ATOM 127 CA VAL A 12 -1.193 -0.102 -4.297 1.00 0.00 C ATOM 128 C VAL A 12 -2.437 0.765 -4.455 1.00 0.00 C ATOM 129 O VAL A 12 -3.159 0.660 -5.447 1.00 0.00 O ATOM 130 CB VAL A 12 -0.041 0.520 -5.108 1.00 0.00 C ATOM 131 CG1 VAL A 12 1.235 -0.289 -4.931 1.00 0.00 C ATOM 132 CG2 VAL A 12 -0.418 0.622 -6.578 1.00 0.00 C ATOM 0 H VAL A 12 -0.759 -1.863 -5.350 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.909 -0.137 -3.245 1.00 0.00 H new ATOM 0 HB VAL A 12 0.141 1.527 -4.733 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.038 0.166 -5.511 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.513 -0.304 -3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.070 -1.309 -5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.408 1.064 -7.136 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.629 -0.373 -6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.304 1.249 -6.684 1.00 0.00 H new ATOM 142 N THR A 13 -2.683 1.623 -3.469 1.00 0.00 N ATOM 143 CA THR A 13 -3.840 2.508 -3.498 1.00 0.00 C ATOM 144 C THR A 13 -3.553 3.762 -4.317 1.00 0.00 C ATOM 145 O THR A 13 -2.398 4.085 -4.590 1.00 0.00 O ATOM 146 CB THR A 13 -4.265 2.923 -2.077 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.474 3.688 -2.131 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.173 3.739 -1.402 1.00 0.00 C ATOM 0 H THR A 13 -2.096 1.723 -2.641 1.00 0.00 H new ATOM 0 HA THR A 13 -4.653 1.951 -3.964 1.00 0.00 H new ATOM 0 HB THR A 13 -4.434 2.018 -1.493 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.738 3.946 -1.223 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.496 4.021 -0.400 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.262 3.144 -1.336 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.977 4.638 -1.986 1.00 0.00 H new ATOM 156 N GLY A 14 -4.612 4.465 -4.705 1.00 0.00 N ATOM 157 CA GLY A 14 -4.453 5.676 -5.488 1.00 0.00 C ATOM 158 C GLY A 14 -3.291 6.526 -5.011 1.00 0.00 C ATOM 159 O GLY A 14 -2.570 7.113 -5.819 1.00 0.00 O ATOM 0 H GLY A 14 -5.578 4.217 -4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.300 5.411 -6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.372 6.261 -5.438 1.00 0.00 H new ATOM 163 N TYR A 15 -3.109 6.593 -3.698 1.00 0.00 N ATOM 164 CA TYR A 15 -2.029 7.381 -3.114 1.00 0.00 C ATOM 165 C TYR A 15 -0.674 6.921 -3.643 1.00 0.00 C ATOM 166 O TYR A 15 0.025 7.668 -4.328 1.00 0.00 O ATOM 167 CB TYR A 15 -2.058 7.273 -1.589 1.00 0.00 C ATOM 168 CG TYR A 15 -0.962 8.059 -0.907 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.675 9.365 -1.287 1.00 0.00 C ATOM 170 CD2 TYR A 15 -0.213 7.497 0.121 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.326 10.086 -0.666 1.00 0.00 C ATOM 172 CE2 TYR A 15 0.789 8.212 0.748 1.00 0.00 C ATOM 173 CZ TYR A 15 1.054 9.506 0.351 1.00 0.00 C ATOM 174 OH TYR A 15 2.052 10.222 0.973 1.00 0.00 O ATOM 0 H TYR A 15 -3.695 6.111 -3.016 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.176 8.423 -3.400 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.024 7.623 -1.226 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.972 6.224 -1.305 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.245 9.824 -2.082 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.418 6.484 0.435 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.537 11.099 -0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.362 7.760 1.545 1.00 0.00 H new ATOM 0 HH TYR A 15 2.467 9.669 1.668 1.00 0.00 H new ATOM 184 N VAL A 16 -0.308 5.685 -3.318 1.00 0.00 N ATOM 185 CA VAL A 16 0.963 5.124 -3.761 1.00 0.00 C ATOM 186 C VAL A 16 1.034 5.053 -5.282 1.00 0.00 C ATOM 187 O VAL A 16 1.981 5.547 -5.893 1.00 0.00 O ATOM 188 CB VAL A 16 1.186 3.713 -3.181 1.00 0.00 C ATOM 189 CG1 VAL A 16 2.361 3.033 -3.867 1.00 0.00 C ATOM 190 CG2 VAL A 16 1.402 3.784 -1.678 1.00 0.00 C ATOM 0 H VAL A 16 -0.873 5.054 -2.750 1.00 0.00 H new ATOM 0 HA VAL A 16 1.746 5.788 -3.395 1.00 0.00 H new ATOM 0 HB VAL A 16 0.293 3.116 -3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.503 2.038 -3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.159 2.948 -4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.264 3.625 -3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.558 2.779 -1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.278 4.397 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.525 4.227 -1.205 1.00 0.00 H new ATOM 200 N ARG A 17 0.024 4.436 -5.887 1.00 0.00 N ATOM 201 CA ARG A 17 -0.029 4.300 -7.337 1.00 0.00 C ATOM 202 C ARG A 17 0.495 5.559 -8.021 1.00 0.00 C ATOM 203 O ARG A 17 1.325 5.488 -8.928 1.00 0.00 O ATOM 204 CB ARG A 17 -1.462 4.018 -7.794 1.00 0.00 C ATOM 205 CG ARG A 17 -1.554 3.449 -9.199 1.00 0.00 C ATOM 206 CD ARG A 17 -2.998 3.218 -9.615 1.00 0.00 C ATOM 207 NE ARG A 17 -3.117 2.162 -10.617 1.00 0.00 N ATOM 208 CZ ARG A 17 -2.902 0.877 -10.361 1.00 0.00 C ATOM 209 NH1 ARG A 17 -2.557 0.490 -9.140 1.00 0.00 N ATOM 210 NH2 ARG A 17 -3.031 -0.024 -11.326 1.00 0.00 N ATOM 0 H ARG A 17 -0.768 4.023 -5.395 1.00 0.00 H new ATOM 0 HA ARG A 17 0.607 3.461 -7.620 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.925 3.319 -7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.037 4.943 -7.748 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.077 4.133 -9.901 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.006 2.508 -9.248 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.590 2.954 -8.739 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.413 4.144 -10.013 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.380 2.426 -11.566 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.456 1.180 -8.396 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.392 -0.498 -8.946 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.296 0.270 -12.266 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.865 -1.011 -11.128 1.00 0.00 H new ATOM 224 N PHE A 18 0.004 6.713 -7.581 1.00 0.00 N ATOM 225 CA PHE A 18 0.421 7.989 -8.150 1.00 0.00 C ATOM 226 C PHE A 18 1.859 8.317 -7.757 1.00 0.00 C ATOM 227 O PHE A 18 2.626 8.856 -8.555 1.00 0.00 O ATOM 228 CB PHE A 18 -0.513 9.108 -7.688 1.00 0.00 C ATOM 229 CG PHE A 18 0.138 10.461 -7.661 1.00 0.00 C ATOM 230 CD1 PHE A 18 0.994 10.812 -6.629 1.00 0.00 C ATOM 231 CD2 PHE A 18 -0.105 11.383 -8.667 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.596 12.056 -6.601 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.494 12.628 -8.644 1.00 0.00 C ATOM 234 CZ PHE A 18 1.344 12.966 -7.610 1.00 0.00 C ATOM 0 H PHE A 18 -0.684 6.790 -6.832 1.00 0.00 H new ATOM 0 HA PHE A 18 0.369 7.907 -9.236 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.379 9.144 -8.349 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.883 8.872 -6.690 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.193 10.105 -5.837 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.770 11.125 -9.478 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.262 12.316 -5.792 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.297 13.337 -9.435 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.811 13.940 -7.590 1.00 0.00 H new ATOM 244 N LEU A 19 2.216 7.987 -6.521 1.00 0.00 N ATOM 245 CA LEU A 19 3.561 8.247 -6.018 1.00 0.00 C ATOM 246 C LEU A 19 4.606 7.531 -6.867 1.00 0.00 C ATOM 247 O LEU A 19 5.655 8.092 -7.183 1.00 0.00 O ATOM 248 CB LEU A 19 3.678 7.799 -4.560 1.00 0.00 C ATOM 249 CG LEU A 19 3.198 8.800 -3.510 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.712 8.076 -2.264 1.00 0.00 C ATOM 251 CD2 LEU A 19 4.307 9.782 -3.161 1.00 0.00 C ATOM 0 H LEU A 19 1.594 7.539 -5.849 1.00 0.00 H new ATOM 0 HA LEU A 19 3.743 9.320 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.112 6.876 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.722 7.562 -4.356 1.00 0.00 H new ATOM 0 HG LEU A 19 2.362 9.361 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.374 8.805 -1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.885 7.416 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.528 7.487 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.946 10.487 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.164 9.237 -2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.606 10.326 -4.057 1.00 0.00 H new ATOM 263 N ASN A 20 4.312 6.288 -7.236 1.00 0.00 N ATOM 264 CA ASN A 20 5.227 5.496 -8.051 1.00 0.00 C ATOM 265 C ASN A 20 5.368 6.094 -9.448 1.00 0.00 C ATOM 266 O ASN A 20 6.453 6.520 -9.842 1.00 0.00 O ATOM 267 CB ASN A 20 4.732 4.051 -8.150 1.00 0.00 C ATOM 268 CG ASN A 20 4.347 3.477 -6.800 1.00 0.00 C ATOM 269 OD1 ASN A 20 4.796 3.957 -5.759 1.00 0.00 O ATOM 270 ND2 ASN A 20 3.511 2.446 -6.812 1.00 0.00 N ATOM 0 H ASN A 20 3.448 5.808 -6.984 1.00 0.00 H new ATOM 0 HA ASN A 20 6.205 5.507 -7.571 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.872 4.010 -8.818 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.511 3.433 -8.596 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.216 2.019 -5.934 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.164 2.081 -7.699 1.00 0.00 H new ATOM 277 N GLU A 21 4.265 6.121 -10.188 1.00 0.00 N ATOM 278 CA GLU A 21 4.267 6.667 -11.541 1.00 0.00 C ATOM 279 C GLU A 21 5.018 7.995 -11.589 1.00 0.00 C ATOM 280 O GLU A 21 5.821 8.233 -12.491 1.00 0.00 O ATOM 281 CB GLU A 21 2.834 6.859 -12.039 1.00 0.00 C ATOM 282 CG GLU A 21 2.727 6.993 -13.549 1.00 0.00 C ATOM 283 CD GLU A 21 1.386 6.528 -14.083 1.00 0.00 C ATOM 284 OE1 GLU A 21 0.448 7.350 -14.126 1.00 0.00 O ATOM 285 OE2 GLU A 21 1.277 5.341 -14.458 1.00 0.00 O ATOM 0 H GLU A 21 3.359 5.772 -9.875 1.00 0.00 H new ATOM 0 HA GLU A 21 4.777 5.957 -12.192 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.229 6.013 -11.714 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.413 7.750 -11.573 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.884 8.035 -13.829 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.522 6.413 -14.019 1.00 0.00 H new ATOM 292 N ARG A 22 4.747 8.857 -10.614 1.00 0.00 N ATOM 293 CA ARG A 22 5.394 10.162 -10.547 1.00 0.00 C ATOM 294 C ARG A 22 6.849 10.025 -10.109 1.00 0.00 C ATOM 295 O ARG A 22 7.735 10.692 -10.646 1.00 0.00 O ATOM 296 CB ARG A 22 4.643 11.078 -9.579 1.00 0.00 C ATOM 297 CG ARG A 22 3.473 11.810 -10.218 1.00 0.00 C ATOM 298 CD ARG A 22 3.944 12.979 -11.067 1.00 0.00 C ATOM 299 NE ARG A 22 4.303 14.138 -10.252 1.00 0.00 N ATOM 300 CZ ARG A 22 4.731 15.289 -10.759 1.00 0.00 C ATOM 301 NH1 ARG A 22 4.853 15.434 -12.072 1.00 0.00 N ATOM 302 NH2 ARG A 22 5.038 16.297 -9.953 1.00 0.00 N ATOM 0 H ARG A 22 4.084 8.675 -9.860 1.00 0.00 H new ATOM 0 HA ARG A 22 5.372 10.602 -11.544 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.276 10.485 -8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.339 11.810 -9.170 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.903 11.117 -10.836 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.800 12.172 -9.440 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.805 12.672 -11.660 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.157 13.258 -11.768 1.00 0.00 H new ATOM 0 HE ARG A 22 4.220 14.059 -9.238 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.618 14.661 -12.694 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.182 16.319 -12.459 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.946 16.189 -8.943 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.367 17.180 -10.343 1.00 0.00 H new ATOM 316 N ARG A 23 7.089 9.158 -9.131 1.00 0.00 N ATOM 317 CA ARG A 23 8.435 8.935 -8.620 1.00 0.00 C ATOM 318 C ARG A 23 9.460 8.981 -9.749 1.00 0.00 C ATOM 319 O ARG A 23 10.496 9.636 -9.634 1.00 0.00 O ATOM 320 CB ARG A 23 8.515 7.588 -7.900 1.00 0.00 C ATOM 321 CG ARG A 23 9.897 7.267 -7.357 1.00 0.00 C ATOM 322 CD ARG A 23 10.734 6.509 -8.376 1.00 0.00 C ATOM 323 NE ARG A 23 10.229 5.157 -8.601 1.00 0.00 N ATOM 324 CZ ARG A 23 10.835 4.266 -9.379 1.00 0.00 C ATOM 325 NH1 ARG A 23 11.962 4.583 -10.001 1.00 0.00 N ATOM 326 NH2 ARG A 23 10.314 3.056 -9.534 1.00 0.00 N ATOM 0 H ARG A 23 6.368 8.598 -8.677 1.00 0.00 H new ATOM 0 HA ARG A 23 8.663 9.732 -7.912 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.801 7.583 -7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.213 6.799 -8.589 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.405 8.192 -7.083 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.803 6.673 -6.448 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.740 7.056 -9.319 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.767 6.458 -8.031 1.00 0.00 H new ATOM 0 HE ARG A 23 9.364 4.882 -8.136 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.366 5.512 -9.883 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.425 3.898 -10.598 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.448 2.809 -9.056 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.780 2.373 -10.131 1.00 0.00 H new ATOM 340 N GLU A 24 9.164 8.281 -10.840 1.00 0.00 N ATOM 341 CA GLU A 24 10.060 8.242 -11.989 1.00 0.00 C ATOM 342 C GLU A 24 10.265 9.638 -12.568 1.00 0.00 C ATOM 343 O GLU A 24 11.372 9.999 -12.967 1.00 0.00 O ATOM 344 CB GLU A 24 9.504 7.307 -13.066 1.00 0.00 C ATOM 345 CG GLU A 24 8.599 8.005 -14.067 1.00 0.00 C ATOM 346 CD GLU A 24 7.769 7.030 -14.881 1.00 0.00 C ATOM 347 OE1 GLU A 24 7.400 5.968 -14.338 1.00 0.00 O ATOM 348 OE2 GLU A 24 7.488 7.332 -16.060 1.00 0.00 O ATOM 0 H GLU A 24 8.311 7.734 -10.952 1.00 0.00 H new ATOM 0 HA GLU A 24 11.025 7.863 -11.652 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.335 6.846 -13.600 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.948 6.502 -12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.935 8.687 -13.537 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.206 8.610 -14.740 1.00 0.00 H new ATOM 355 N GLN A 25 9.190 10.418 -12.609 1.00 0.00 N ATOM 356 CA GLN A 25 9.251 11.775 -13.140 1.00 0.00 C ATOM 357 C GLN A 25 10.212 12.636 -12.326 1.00 0.00 C ATOM 358 O GLN A 25 10.850 13.544 -12.859 1.00 0.00 O ATOM 359 CB GLN A 25 7.858 12.408 -13.142 1.00 0.00 C ATOM 360 CG GLN A 25 6.855 11.668 -14.012 1.00 0.00 C ATOM 361 CD GLN A 25 6.933 12.076 -15.469 1.00 0.00 C ATOM 362 OE1 GLN A 25 8.020 12.202 -16.033 1.00 0.00 O ATOM 363 NE2 GLN A 25 5.776 12.286 -16.088 1.00 0.00 N ATOM 0 H GLN A 25 8.267 10.134 -12.281 1.00 0.00 H new ATOM 0 HA GLN A 25 9.619 11.721 -14.164 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.483 12.444 -12.119 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.937 13.438 -13.489 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.030 10.595 -13.929 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.848 11.856 -13.639 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.898 12.170 -15.582 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.766 12.563 -17.070 1.00 0.00 H new ATOM 372 N ILE A 26 10.311 12.343 -11.035 1.00 0.00 N ATOM 373 CA ILE A 26 11.195 13.089 -10.148 1.00 0.00 C ATOM 374 C ILE A 26 12.642 12.634 -10.304 1.00 0.00 C ATOM 375 O ILE A 26 13.565 13.447 -10.277 1.00 0.00 O ATOM 376 CB ILE A 26 10.776 12.935 -8.674 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.304 13.314 -8.497 1.00 0.00 C ATOM 378 CG2 ILE A 26 11.660 13.791 -7.779 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.014 14.768 -8.797 1.00 0.00 C ATOM 0 H ILE A 26 9.790 11.594 -10.579 1.00 0.00 H new ATOM 0 HA ILE A 26 11.114 14.138 -10.432 1.00 0.00 H new ATOM 0 HB ILE A 26 10.901 11.892 -8.384 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.695 12.688 -9.150 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.002 13.095 -7.473 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.351 13.671 -6.741 1.00 0.00 H new ATOM 0 HG22 ILE A 26 12.699 13.478 -7.887 1.00 0.00 H new ATOM 0 HG23 ILE A 26 11.565 14.838 -8.067 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.952 14.965 -8.651 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.596 15.401 -8.127 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.285 14.987 -9.830 1.00 0.00 H new ATOM 391 N ARG A 27 12.831 11.329 -10.469 1.00 0.00 N ATOM 392 CA ARG A 27 14.166 10.766 -10.631 1.00 0.00 C ATOM 393 C ARG A 27 14.810 11.253 -11.925 1.00 0.00 C ATOM 394 O ARG A 27 16.018 11.479 -11.983 1.00 0.00 O ATOM 395 CB ARG A 27 14.101 9.237 -10.625 1.00 0.00 C ATOM 396 CG ARG A 27 14.080 8.633 -9.230 1.00 0.00 C ATOM 397 CD ARG A 27 15.426 8.781 -8.538 1.00 0.00 C ATOM 398 NE ARG A 27 16.330 7.679 -8.858 1.00 0.00 N ATOM 399 CZ ARG A 27 17.165 7.689 -9.892 1.00 0.00 C ATOM 400 NH1 ARG A 27 17.210 8.739 -10.701 1.00 0.00 N ATOM 401 NH2 ARG A 27 17.956 6.648 -10.117 1.00 0.00 N ATOM 0 H ARG A 27 12.077 10.642 -10.494 1.00 0.00 H new ATOM 0 HA ARG A 27 14.778 11.101 -9.794 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.209 8.918 -11.163 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.959 8.843 -11.169 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.308 9.119 -8.634 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.817 7.577 -9.293 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.885 9.724 -8.835 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.276 8.825 -7.459 1.00 0.00 H new ATOM 0 HE ARG A 27 16.320 6.857 -8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.603 9.541 -10.530 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.852 8.745 -11.494 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.924 5.839 -9.496 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.597 6.656 -10.911 1.00 0.00 H new ATOM 415 N THR A 28 13.993 11.412 -12.962 1.00 0.00 N ATOM 416 CA THR A 28 14.482 11.872 -14.256 1.00 0.00 C ATOM 417 C THR A 28 14.999 13.303 -14.173 1.00 0.00 C ATOM 418 O THR A 28 15.981 13.658 -14.825 1.00 0.00 O ATOM 419 CB THR A 28 13.382 11.797 -15.331 1.00 0.00 C ATOM 420 OG1 THR A 28 12.778 10.498 -15.325 1.00 0.00 O ATOM 421 CG2 THR A 28 13.952 12.090 -16.710 1.00 0.00 C ATOM 0 H THR A 28 12.990 11.229 -12.931 1.00 0.00 H new ATOM 0 HA THR A 28 15.301 11.210 -14.537 1.00 0.00 H new ATOM 0 HB THR A 28 12.628 12.549 -15.100 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.220 10.401 -14.525 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.156 12.031 -17.453 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.384 13.091 -16.720 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.725 11.359 -16.947 1.00 0.00 H new ATOM 429 N ARG A 29 14.332 14.122 -13.365 1.00 0.00 N ATOM 430 CA ARG A 29 14.725 15.516 -13.197 1.00 0.00 C ATOM 431 C ARG A 29 15.870 15.641 -12.195 1.00 0.00 C ATOM 432 O ARG A 29 16.849 16.347 -12.441 1.00 0.00 O ATOM 433 CB ARG A 29 13.531 16.351 -12.729 1.00 0.00 C ATOM 434 CG ARG A 29 12.657 16.852 -13.866 1.00 0.00 C ATOM 435 CD ARG A 29 11.284 17.277 -13.367 1.00 0.00 C ATOM 436 NE ARG A 29 11.277 18.660 -12.899 1.00 0.00 N ATOM 437 CZ ARG A 29 10.169 19.326 -12.589 1.00 0.00 C ATOM 438 NH1 ARG A 29 8.987 18.736 -12.697 1.00 0.00 N ATOM 439 NH2 ARG A 29 10.244 20.582 -12.170 1.00 0.00 N ATOM 0 H ARG A 29 13.518 13.844 -12.817 1.00 0.00 H new ATOM 0 HA ARG A 29 15.067 15.890 -14.162 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.923 15.752 -12.051 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.897 17.205 -12.159 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.144 17.695 -14.357 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.547 16.067 -14.615 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.555 17.162 -14.169 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.973 16.618 -12.556 1.00 0.00 H new ATOM 0 HE ARG A 29 12.171 19.142 -12.805 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.927 17.770 -13.018 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.138 19.248 -12.459 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.152 21.038 -12.085 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.393 21.092 -11.932 1.00 0.00 H new ATOM 453 N HIS A 30 15.740 14.951 -11.066 1.00 0.00 N ATOM 454 CA HIS A 30 16.764 14.985 -10.028 1.00 0.00 C ATOM 455 C HIS A 30 17.258 13.578 -9.705 1.00 0.00 C ATOM 456 O HIS A 30 16.853 12.963 -8.719 1.00 0.00 O ATOM 457 CB HIS A 30 16.217 15.648 -8.764 1.00 0.00 C ATOM 458 CG HIS A 30 15.318 16.815 -9.040 1.00 0.00 C ATOM 459 ND1 HIS A 30 15.787 18.047 -9.446 1.00 0.00 N ATOM 460 CD2 HIS A 30 13.972 16.931 -8.970 1.00 0.00 C ATOM 461 CE1 HIS A 30 14.768 18.870 -9.611 1.00 0.00 C ATOM 462 NE2 HIS A 30 13.655 18.219 -9.328 1.00 0.00 N ATOM 0 H HIS A 30 14.936 14.362 -10.847 1.00 0.00 H new ATOM 0 HA HIS A 30 17.605 15.569 -10.401 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.668 14.907 -8.183 1.00 0.00 H new ATOM 0 HB3 HIS A 30 17.052 15.981 -8.148 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.276 16.156 -8.686 1.00 0.00 H new ATOM 0 HE1 HIS A 30 14.834 19.901 -9.924 1.00 0.00 H new ATOM 0 HE2 HIS A 30 12.713 18.609 -9.369 1.00 0.00 H new ATOM 471 N PRO A 31 18.153 13.055 -10.556 1.00 0.00 N ATOM 472 CA PRO A 31 18.721 11.714 -10.382 1.00 0.00 C ATOM 473 C PRO A 31 19.664 11.635 -9.187 1.00 0.00 C ATOM 474 O PRO A 31 20.207 10.573 -8.882 1.00 0.00 O ATOM 475 CB PRO A 31 19.490 11.483 -11.685 1.00 0.00 C ATOM 476 CG PRO A 31 19.823 12.849 -12.176 1.00 0.00 C ATOM 477 CD PRO A 31 18.681 13.732 -11.752 1.00 0.00 C ATOM 0 HA PRO A 31 17.951 10.967 -10.187 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.391 10.893 -11.514 1.00 0.00 H new ATOM 0 HB3 PRO A 31 18.885 10.938 -12.410 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.764 13.198 -11.751 1.00 0.00 H new ATOM 0 HG3 PRO A 31 19.940 12.856 -13.260 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.018 14.744 -11.525 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.926 13.815 -12.533 1.00 0.00 H new ATOM 485 N ASP A 32 19.854 12.764 -8.512 1.00 0.00 N ATOM 486 CA ASP A 32 20.730 12.822 -7.348 1.00 0.00 C ATOM 487 C ASP A 32 19.920 12.803 -6.056 1.00 0.00 C ATOM 488 O ASP A 32 20.440 12.473 -4.989 1.00 0.00 O ATOM 489 CB ASP A 32 21.601 14.078 -7.400 1.00 0.00 C ATOM 490 CG ASP A 32 20.826 15.300 -7.853 1.00 0.00 C ATOM 491 OD1 ASP A 32 19.842 15.663 -7.177 1.00 0.00 O ATOM 492 OD2 ASP A 32 21.205 15.893 -8.885 1.00 0.00 O ATOM 0 H ASP A 32 19.413 13.652 -8.752 1.00 0.00 H new ATOM 0 HA ASP A 32 21.373 11.942 -7.365 1.00 0.00 H new ATOM 0 HB2 ASP A 32 22.024 14.265 -6.413 1.00 0.00 H new ATOM 0 HB3 ASP A 32 22.437 13.909 -8.079 1.00 0.00 H new ATOM 497 N LEU A 33 18.644 13.159 -6.159 1.00 0.00 N ATOM 498 CA LEU A 33 17.761 13.184 -4.998 1.00 0.00 C ATOM 499 C LEU A 33 17.545 11.777 -4.448 1.00 0.00 C ATOM 500 O LEU A 33 17.132 10.862 -5.160 1.00 0.00 O ATOM 501 CB LEU A 33 16.416 13.810 -5.369 1.00 0.00 C ATOM 502 CG LEU A 33 16.352 15.337 -5.322 1.00 0.00 C ATOM 503 CD1 LEU A 33 14.907 15.812 -5.336 1.00 0.00 C ATOM 504 CD2 LEU A 33 17.076 15.865 -4.093 1.00 0.00 C ATOM 0 H LEU A 33 18.198 13.434 -7.034 1.00 0.00 H new ATOM 0 HA LEU A 33 18.235 13.788 -4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.152 13.486 -6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.655 13.413 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 33 16.851 15.729 -6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.882 16.901 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.419 15.466 -6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.383 15.410 -4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.020 16.953 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.607 15.464 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.121 15.556 -4.126 1.00 0.00 H new ATOM 516 N PRO A 34 17.828 11.600 -3.149 1.00 0.00 N ATOM 517 CA PRO A 34 17.670 10.308 -2.473 1.00 0.00 C ATOM 518 C PRO A 34 16.206 9.916 -2.308 1.00 0.00 C ATOM 519 O PRO A 34 15.326 10.468 -2.971 1.00 0.00 O ATOM 520 CB PRO A 34 18.318 10.541 -1.106 1.00 0.00 C ATOM 521 CG PRO A 34 18.211 12.010 -0.882 1.00 0.00 C ATOM 522 CD PRO A 34 18.324 12.646 -2.239 1.00 0.00 C ATOM 0 HA PRO A 34 18.121 9.494 -3.040 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.804 9.983 -0.324 1.00 0.00 H new ATOM 0 HB3 PRO A 34 19.358 10.214 -1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.262 12.264 -0.410 1.00 0.00 H new ATOM 0 HG3 PRO A 34 19.001 12.362 -0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.726 13.555 -2.308 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.353 12.923 -2.468 1.00 0.00 H new ATOM 530 N PHE A 35 15.950 8.960 -1.421 1.00 0.00 N ATOM 531 CA PHE A 35 14.592 8.494 -1.169 1.00 0.00 C ATOM 532 C PHE A 35 13.794 9.537 -0.393 1.00 0.00 C ATOM 533 O PHE A 35 12.753 10.020 -0.840 1.00 0.00 O ATOM 534 CB PHE A 35 14.617 7.175 -0.395 1.00 0.00 C ATOM 535 CG PHE A 35 13.451 7.003 0.536 1.00 0.00 C ATOM 536 CD1 PHE A 35 12.167 7.318 0.124 1.00 0.00 C ATOM 537 CD2 PHE A 35 13.640 6.525 1.822 1.00 0.00 C ATOM 538 CE1 PHE A 35 11.093 7.162 0.979 1.00 0.00 C ATOM 539 CE2 PHE A 35 12.569 6.367 2.682 1.00 0.00 C ATOM 540 CZ PHE A 35 11.294 6.684 2.259 1.00 0.00 C ATOM 0 H PHE A 35 16.666 8.493 -0.865 1.00 0.00 H new ATOM 0 HA PHE A 35 14.106 8.333 -2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.630 6.347 -1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.542 7.118 0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.003 7.690 -0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.635 6.273 2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.097 7.414 0.647 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.730 5.996 3.683 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.455 6.558 2.928 1.00 0.00 H new ATOM 550 N PRO A 36 14.291 9.894 0.800 1.00 0.00 N ATOM 551 CA PRO A 36 13.641 10.883 1.665 1.00 0.00 C ATOM 552 C PRO A 36 13.727 12.296 1.098 1.00 0.00 C ATOM 553 O PRO A 36 13.565 13.276 1.823 1.00 0.00 O ATOM 554 CB PRO A 36 14.431 10.784 2.973 1.00 0.00 C ATOM 555 CG PRO A 36 15.769 10.269 2.570 1.00 0.00 C ATOM 556 CD PRO A 36 15.527 9.360 1.397 1.00 0.00 C ATOM 0 HA PRO A 36 12.575 10.686 1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.511 11.755 3.461 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.944 10.111 3.679 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.436 11.087 2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 36 16.243 9.730 3.390 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.357 9.385 0.691 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.406 8.323 1.711 1.00 0.00 H new ATOM 564 N GLU A 37 13.981 12.391 -0.204 1.00 0.00 N ATOM 565 CA GLU A 37 14.089 13.685 -0.868 1.00 0.00 C ATOM 566 C GLU A 37 13.147 13.762 -2.066 1.00 0.00 C ATOM 567 O GLU A 37 12.765 14.849 -2.499 1.00 0.00 O ATOM 568 CB GLU A 37 15.529 13.932 -1.320 1.00 0.00 C ATOM 569 CG GLU A 37 16.429 14.471 -0.221 1.00 0.00 C ATOM 570 CD GLU A 37 16.268 15.964 -0.015 1.00 0.00 C ATOM 571 OE1 GLU A 37 15.118 16.449 -0.063 1.00 0.00 O ATOM 572 OE2 GLU A 37 17.291 16.649 0.194 1.00 0.00 O ATOM 0 H GLU A 37 14.116 11.588 -0.819 1.00 0.00 H new ATOM 0 HA GLU A 37 13.803 14.457 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.948 12.998 -1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.524 14.637 -2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.207 13.953 0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.468 14.252 -0.467 1.00 0.00 H new ATOM 579 N ILE A 38 12.778 12.600 -2.596 1.00 0.00 N ATOM 580 CA ILE A 38 11.880 12.535 -3.743 1.00 0.00 C ATOM 581 C ILE A 38 10.427 12.412 -3.297 1.00 0.00 C ATOM 582 O ILE A 38 9.541 13.070 -3.843 1.00 0.00 O ATOM 583 CB ILE A 38 12.227 11.348 -4.661 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.638 11.508 -5.227 1.00 0.00 C ATOM 585 CG2 ILE A 38 11.208 11.235 -5.786 1.00 0.00 C ATOM 586 CD1 ILE A 38 14.158 10.266 -5.916 1.00 0.00 C ATOM 0 H ILE A 38 13.087 11.692 -2.250 1.00 0.00 H new ATOM 0 HA ILE A 38 12.009 13.464 -4.299 1.00 0.00 H new ATOM 0 HB ILE A 38 12.195 10.431 -4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.645 12.336 -5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.317 11.776 -4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.466 10.392 -6.427 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.215 11.080 -5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.212 12.153 -6.374 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.164 10.453 -6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.184 9.440 -5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.501 10.009 -6.747 1.00 0.00 H new ATOM 598 N THR A 39 10.189 11.565 -2.301 1.00 0.00 N ATOM 599 CA THR A 39 8.843 11.357 -1.781 1.00 0.00 C ATOM 600 C THR A 39 8.313 12.615 -1.104 1.00 0.00 C ATOM 601 O THR A 39 7.138 12.958 -1.241 1.00 0.00 O ATOM 602 CB THR A 39 8.805 10.191 -0.775 1.00 0.00 C ATOM 603 OG1 THR A 39 8.974 8.945 -1.461 1.00 0.00 O ATOM 604 CG2 THR A 39 7.489 10.179 -0.009 1.00 0.00 C ATOM 0 H THR A 39 10.910 11.012 -1.838 1.00 0.00 H new ATOM 0 HA THR A 39 8.209 11.114 -2.634 1.00 0.00 H new ATOM 0 HB THR A 39 9.620 10.328 -0.064 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.950 8.209 -0.814 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.485 9.347 0.695 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.377 11.116 0.536 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.661 10.065 -0.709 1.00 0.00 H new ATOM 612 N LYS A 40 9.186 13.301 -0.374 1.00 0.00 N ATOM 613 CA LYS A 40 8.807 14.525 0.323 1.00 0.00 C ATOM 614 C LYS A 40 8.235 15.550 -0.650 1.00 0.00 C ATOM 615 O LYS A 40 7.372 16.348 -0.287 1.00 0.00 O ATOM 616 CB LYS A 40 10.016 15.116 1.051 1.00 0.00 C ATOM 617 CG LYS A 40 11.055 15.714 0.119 1.00 0.00 C ATOM 618 CD LYS A 40 12.025 16.612 0.868 1.00 0.00 C ATOM 619 CE LYS A 40 11.485 18.028 1.003 1.00 0.00 C ATOM 620 NZ LYS A 40 12.489 18.951 1.600 1.00 0.00 N ATOM 0 H LYS A 40 10.161 13.030 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 40 8.037 14.275 1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.673 15.887 1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.485 14.336 1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.606 14.913 -0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.557 16.287 -0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.215 16.198 1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.980 16.634 0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.190 18.399 0.022 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.588 18.017 1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.082 19.905 1.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.752 18.612 2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.335 18.982 0.996 1.00 0.00 H new ATOM 634 N MET A 41 8.719 15.520 -1.886 1.00 0.00 N ATOM 635 CA MET A 41 8.254 16.447 -2.912 1.00 0.00 C ATOM 636 C MET A 41 6.899 16.011 -3.462 1.00 0.00 C ATOM 637 O MET A 41 6.004 16.835 -3.663 1.00 0.00 O ATOM 638 CB MET A 41 9.273 16.538 -4.049 1.00 0.00 C ATOM 639 CG MET A 41 10.512 17.341 -3.690 1.00 0.00 C ATOM 640 SD MET A 41 11.320 18.055 -5.136 1.00 0.00 S ATOM 641 CE MET A 41 11.696 16.578 -6.077 1.00 0.00 C ATOM 0 H MET A 41 9.433 14.864 -2.203 1.00 0.00 H new ATOM 0 HA MET A 41 8.143 17.430 -2.455 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.574 15.531 -4.338 1.00 0.00 H new ATOM 0 HB3 MET A 41 8.796 16.990 -4.918 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.236 18.140 -3.002 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.218 16.697 -3.165 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.617 16.730 -6.641 1.00 0.00 H new ATOM 0 HE2 MET A 41 11.822 15.736 -5.397 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.879 16.368 -6.767 1.00 0.00 H new ATOM 651 N LEU A 42 6.753 14.714 -3.705 1.00 0.00 N ATOM 652 CA LEU A 42 5.507 14.170 -4.232 1.00 0.00 C ATOM 653 C LEU A 42 4.381 14.297 -3.211 1.00 0.00 C ATOM 654 O LEU A 42 3.329 14.863 -3.500 1.00 0.00 O ATOM 655 CB LEU A 42 5.693 12.701 -4.622 1.00 0.00 C ATOM 656 CG LEU A 42 6.774 12.416 -5.665 1.00 0.00 C ATOM 657 CD1 LEU A 42 7.082 10.928 -5.722 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.344 12.926 -7.033 1.00 0.00 C ATOM 0 H LEU A 42 7.482 14.019 -3.545 1.00 0.00 H new ATOM 0 HA LEU A 42 5.236 14.744 -5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.927 12.133 -3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.743 12.323 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 42 7.682 12.943 -5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.853 10.745 -6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.435 10.592 -4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.179 10.380 -5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.126 12.714 -7.762 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.422 12.428 -7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.175 14.002 -6.984 1.00 0.00 H new ATOM 670 N GLY A 43 4.613 13.768 -2.013 1.00 0.00 N ATOM 671 CA GLY A 43 3.611 13.835 -0.966 1.00 0.00 C ATOM 672 C GLY A 43 2.843 15.142 -0.981 1.00 0.00 C ATOM 673 O GLY A 43 1.635 15.163 -0.747 1.00 0.00 O ATOM 0 H GLY A 43 5.477 13.294 -1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.913 13.006 -1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.094 13.712 0.003 1.00 0.00 H new ATOM 677 N ALA A 44 3.545 16.236 -1.256 1.00 0.00 N ATOM 678 CA ALA A 44 2.923 17.552 -1.301 1.00 0.00 C ATOM 679 C ALA A 44 2.085 17.721 -2.564 1.00 0.00 C ATOM 680 O ALA A 44 0.981 18.263 -2.519 1.00 0.00 O ATOM 681 CB ALA A 44 3.983 18.642 -1.221 1.00 0.00 C ATOM 0 H ALA A 44 4.546 16.236 -1.451 1.00 0.00 H new ATOM 0 HA ALA A 44 2.260 17.641 -0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.503 19.620 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.537 18.543 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.669 18.545 -2.062 1.00 0.00 H new ATOM 687 N GLU A 45 2.617 17.254 -3.689 1.00 0.00 N ATOM 688 CA GLU A 45 1.917 17.354 -4.964 1.00 0.00 C ATOM 689 C GLU A 45 0.537 16.707 -4.880 1.00 0.00 C ATOM 690 O GLU A 45 -0.446 17.250 -5.385 1.00 0.00 O ATOM 691 CB GLU A 45 2.736 16.693 -6.074 1.00 0.00 C ATOM 692 CG GLU A 45 4.156 17.222 -6.180 1.00 0.00 C ATOM 693 CD GLU A 45 4.251 18.475 -7.028 1.00 0.00 C ATOM 694 OE1 GLU A 45 3.370 18.674 -7.891 1.00 0.00 O ATOM 695 OE2 GLU A 45 5.203 19.257 -6.829 1.00 0.00 O ATOM 0 H GLU A 45 3.530 16.803 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 45 1.790 18.411 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.770 15.618 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.229 16.844 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.536 17.435 -5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.796 16.450 -6.607 1.00 0.00 H new ATOM 702 N TRP A 46 0.474 15.546 -4.240 1.00 0.00 N ATOM 703 CA TRP A 46 -0.785 14.823 -4.090 1.00 0.00 C ATOM 704 C TRP A 46 -1.818 15.675 -3.359 1.00 0.00 C ATOM 705 O TRP A 46 -2.992 15.692 -3.725 1.00 0.00 O ATOM 706 CB TRP A 46 -0.558 13.514 -3.333 1.00 0.00 C ATOM 707 CG TRP A 46 -1.822 12.910 -2.799 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.255 12.928 -1.504 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.813 12.198 -3.547 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.457 12.270 -1.402 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.822 11.813 -2.641 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.949 11.849 -4.893 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -4.946 11.097 -3.040 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -4.066 11.138 -5.288 1.00 0.00 C ATOM 715 CH2 TRP A 46 -5.053 10.769 -4.364 1.00 0.00 C ATOM 0 H TRP A 46 1.279 15.084 -3.816 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.167 14.597 -5.086 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.074 12.798 -3.997 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.128 13.695 -2.505 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.730 13.391 -0.681 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.991 12.142 -0.543 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.194 12.130 -5.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.707 10.810 -2.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.180 10.862 -6.326 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.915 10.215 -4.704 1.00 0.00 H new ATOM 726 N SER A 47 -1.371 16.382 -2.327 1.00 0.00 N ATOM 727 CA SER A 47 -2.258 17.234 -1.543 1.00 0.00 C ATOM 728 C SER A 47 -2.603 18.509 -2.308 1.00 0.00 C ATOM 729 O SER A 47 -3.585 19.186 -2.000 1.00 0.00 O ATOM 730 CB SER A 47 -1.607 17.589 -0.205 1.00 0.00 C ATOM 731 OG SER A 47 -1.893 16.609 0.778 1.00 0.00 O ATOM 0 H SER A 47 -0.400 16.382 -2.014 1.00 0.00 H new ATOM 0 HA SER A 47 -3.179 16.683 -1.356 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.528 17.675 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.967 18.561 0.131 1.00 0.00 H new ATOM 0 HG SER A 47 -1.464 16.858 1.623 1.00 0.00 H new ATOM 737 N LYS A 48 -1.789 18.829 -3.307 1.00 0.00 N ATOM 738 CA LYS A 48 -2.007 20.021 -4.119 1.00 0.00 C ATOM 739 C LYS A 48 -2.737 19.674 -5.412 1.00 0.00 C ATOM 740 O LYS A 48 -3.150 20.559 -6.161 1.00 0.00 O ATOM 741 CB LYS A 48 -0.671 20.695 -4.440 1.00 0.00 C ATOM 742 CG LYS A 48 0.026 21.279 -3.223 1.00 0.00 C ATOM 743 CD LYS A 48 1.193 22.166 -3.620 1.00 0.00 C ATOM 744 CE LYS A 48 2.243 21.390 -4.400 1.00 0.00 C ATOM 745 NZ LYS A 48 1.958 21.387 -5.862 1.00 0.00 N ATOM 0 H LYS A 48 -0.972 18.280 -3.575 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.628 20.711 -3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.011 19.967 -4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.840 21.489 -5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.688 21.857 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.383 20.471 -2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.830 22.998 -4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.646 22.595 -2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.225 21.828 -4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.281 20.364 -4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.820 20.409 -6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.096 21.939 -6.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.758 21.811 -6.373 1.00 0.00 H new ATOM 759 N LEU A 49 -2.893 18.379 -5.668 1.00 0.00 N ATOM 760 CA LEU A 49 -3.575 17.913 -6.870 1.00 0.00 C ATOM 761 C LEU A 49 -4.939 18.582 -7.016 1.00 0.00 C ATOM 762 O LEU A 49 -5.424 19.231 -6.090 1.00 0.00 O ATOM 763 CB LEU A 49 -3.740 16.393 -6.830 1.00 0.00 C ATOM 764 CG LEU A 49 -2.597 15.578 -7.434 1.00 0.00 C ATOM 765 CD1 LEU A 49 -2.823 14.091 -7.206 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.455 15.876 -8.919 1.00 0.00 C ATOM 0 H LEU A 49 -2.556 17.633 -5.059 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.965 18.183 -7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.867 16.089 -5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.660 16.134 -7.353 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.670 15.864 -6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.999 13.527 -7.643 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.873 13.890 -6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.759 13.789 -7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.636 15.287 -9.332 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.382 15.619 -9.432 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.245 16.936 -9.059 1.00 0.00 H new ATOM 778 N GLN A 50 -5.552 18.415 -8.183 1.00 0.00 N ATOM 779 CA GLN A 50 -6.861 19.000 -8.448 1.00 0.00 C ATOM 780 C GLN A 50 -7.974 18.128 -7.878 1.00 0.00 C ATOM 781 O GLN A 50 -7.798 16.932 -7.642 1.00 0.00 O ATOM 782 CB GLN A 50 -7.063 19.188 -9.953 1.00 0.00 C ATOM 783 CG GLN A 50 -6.451 20.471 -10.494 1.00 0.00 C ATOM 784 CD GLN A 50 -6.160 20.397 -11.979 1.00 0.00 C ATOM 785 OE1 GLN A 50 -6.263 19.333 -12.592 1.00 0.00 O ATOM 786 NE2 GLN A 50 -5.793 21.529 -12.568 1.00 0.00 N ATOM 0 H GLN A 50 -5.164 17.880 -8.960 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.902 19.973 -7.958 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.628 18.338 -10.478 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.131 19.185 -10.171 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.129 21.302 -10.302 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.527 20.683 -9.957 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.720 22.388 -12.022 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.584 21.540 -13.566 1.00 0.00 H new ATOM 795 N PRO A 51 -9.147 18.737 -7.651 1.00 0.00 N ATOM 796 CA PRO A 51 -10.311 18.033 -7.106 1.00 0.00 C ATOM 797 C PRO A 51 -10.907 17.042 -8.100 1.00 0.00 C ATOM 798 O PRO A 51 -11.926 16.409 -7.825 1.00 0.00 O ATOM 799 CB PRO A 51 -11.304 19.162 -6.817 1.00 0.00 C ATOM 800 CG PRO A 51 -10.919 20.255 -7.753 1.00 0.00 C ATOM 801 CD PRO A 51 -9.426 20.159 -7.909 1.00 0.00 C ATOM 0 HA PRO A 51 -10.054 17.437 -6.230 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.331 18.839 -6.987 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.240 19.489 -5.779 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.420 20.140 -8.714 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.208 21.228 -7.357 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.106 20.456 -8.908 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.906 20.805 -7.202 1.00 0.00 H new ATOM 809 N ALA A 52 -10.265 16.912 -9.257 1.00 0.00 N ATOM 810 CA ALA A 52 -10.730 15.995 -10.290 1.00 0.00 C ATOM 811 C ALA A 52 -9.722 14.875 -10.525 1.00 0.00 C ATOM 812 O ALA A 52 -10.100 13.741 -10.817 1.00 0.00 O ATOM 813 CB ALA A 52 -10.994 16.750 -11.584 1.00 0.00 C ATOM 0 H ALA A 52 -9.421 17.430 -9.502 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.661 15.543 -9.948 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.341 16.053 -12.347 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.756 17.510 -11.413 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.074 17.228 -11.920 1.00 0.00 H new ATOM 819 N GLU A 53 -8.441 15.202 -10.395 1.00 0.00 N ATOM 820 CA GLU A 53 -7.380 14.222 -10.594 1.00 0.00 C ATOM 821 C GLU A 53 -7.183 13.369 -9.343 1.00 0.00 C ATOM 822 O GLU A 53 -7.177 12.140 -9.410 1.00 0.00 O ATOM 823 CB GLU A 53 -6.069 14.923 -10.958 1.00 0.00 C ATOM 824 CG GLU A 53 -6.206 15.913 -12.103 1.00 0.00 C ATOM 825 CD GLU A 53 -6.779 15.282 -13.356 1.00 0.00 C ATOM 826 OE1 GLU A 53 -6.377 14.145 -13.684 1.00 0.00 O ATOM 827 OE2 GLU A 53 -7.627 15.924 -14.011 1.00 0.00 O ATOM 0 H GLU A 53 -8.113 16.137 -10.153 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.675 13.568 -11.415 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.690 15.446 -10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.327 14.171 -11.226 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.847 16.737 -11.790 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.228 16.338 -12.330 1.00 0.00 H new ATOM 834 N LYS A 54 -7.021 14.032 -8.204 1.00 0.00 N ATOM 835 CA LYS A 54 -6.826 13.339 -6.936 1.00 0.00 C ATOM 836 C LYS A 54 -7.926 12.308 -6.703 1.00 0.00 C ATOM 837 O LYS A 54 -7.663 11.203 -6.230 1.00 0.00 O ATOM 838 CB LYS A 54 -6.799 14.342 -5.781 1.00 0.00 C ATOM 839 CG LYS A 54 -6.186 13.787 -4.507 1.00 0.00 C ATOM 840 CD LYS A 54 -6.738 14.482 -3.273 1.00 0.00 C ATOM 841 CE LYS A 54 -5.741 14.451 -2.124 1.00 0.00 C ATOM 842 NZ LYS A 54 -5.970 15.565 -1.162 1.00 0.00 N ATOM 0 H LYS A 54 -7.021 15.049 -8.132 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.869 12.819 -6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.238 15.224 -6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.817 14.669 -5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.385 12.717 -4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.103 13.908 -4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.984 15.516 -3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.665 13.998 -2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.819 13.498 -1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.728 14.516 -2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.271 15.510 -0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.871 16.475 -1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.928 15.489 -0.764 1.00 0.00 H new ATOM 856 N GLN A 55 -9.157 12.677 -7.042 1.00 0.00 N ATOM 857 CA GLN A 55 -10.296 11.783 -6.871 1.00 0.00 C ATOM 858 C GLN A 55 -10.206 10.597 -7.824 1.00 0.00 C ATOM 859 O GLN A 55 -10.374 9.447 -7.418 1.00 0.00 O ATOM 860 CB GLN A 55 -11.605 12.540 -7.102 1.00 0.00 C ATOM 861 CG GLN A 55 -12.845 11.734 -6.753 1.00 0.00 C ATOM 862 CD GLN A 55 -13.066 11.621 -5.257 1.00 0.00 C ATOM 863 OE1 GLN A 55 -13.060 12.621 -4.540 1.00 0.00 O ATOM 864 NE2 GLN A 55 -13.262 10.397 -4.778 1.00 0.00 N ATOM 0 H GLN A 55 -9.391 13.588 -7.436 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.278 11.406 -5.849 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.596 13.453 -6.507 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.661 12.842 -8.148 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.717 12.200 -7.211 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.756 10.735 -7.180 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.259 9.596 -5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.416 10.259 -3.779 1.00 0.00 H new ATOM 873 N ARG A 56 -9.939 10.884 -9.094 1.00 0.00 N ATOM 874 CA ARG A 56 -9.828 9.841 -10.106 1.00 0.00 C ATOM 875 C ARG A 56 -8.850 8.757 -9.665 1.00 0.00 C ATOM 876 O ARG A 56 -9.169 7.568 -9.693 1.00 0.00 O ATOM 877 CB ARG A 56 -9.374 10.440 -11.439 1.00 0.00 C ATOM 878 CG ARG A 56 -9.163 9.404 -12.531 1.00 0.00 C ATOM 879 CD ARG A 56 -8.163 9.886 -13.571 1.00 0.00 C ATOM 880 NE ARG A 56 -8.186 9.062 -14.777 1.00 0.00 N ATOM 881 CZ ARG A 56 -7.340 9.218 -15.789 1.00 0.00 C ATOM 882 NH1 ARG A 56 -6.408 10.161 -15.740 1.00 0.00 N ATOM 883 NH2 ARG A 56 -7.424 8.429 -16.852 1.00 0.00 N ATOM 0 H ARG A 56 -9.796 11.830 -9.446 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.811 9.389 -10.234 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.117 11.163 -11.775 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.444 10.987 -11.284 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.808 8.474 -12.088 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.115 9.184 -13.014 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.384 10.920 -13.835 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.161 9.874 -13.143 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.890 8.327 -14.846 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.340 10.769 -14.924 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.760 10.278 -16.519 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.138 7.702 -16.892 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.774 8.549 -17.629 1.00 0.00 H new ATOM 897 N TYR A 57 -7.656 9.175 -9.256 1.00 0.00 N ATOM 898 CA TYR A 57 -6.630 8.239 -8.812 1.00 0.00 C ATOM 899 C TYR A 57 -7.206 7.226 -7.826 1.00 0.00 C ATOM 900 O TYR A 57 -6.923 6.030 -7.911 1.00 0.00 O ATOM 901 CB TYR A 57 -5.468 8.995 -8.163 1.00 0.00 C ATOM 902 CG TYR A 57 -4.476 9.551 -9.159 1.00 0.00 C ATOM 903 CD1 TYR A 57 -3.828 8.718 -10.063 1.00 0.00 C ATOM 904 CD2 TYR A 57 -4.188 10.910 -9.197 1.00 0.00 C ATOM 905 CE1 TYR A 57 -2.920 9.222 -10.974 1.00 0.00 C ATOM 906 CE2 TYR A 57 -3.283 11.422 -10.106 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.650 10.574 -10.992 1.00 0.00 C ATOM 908 OH TYR A 57 -1.748 11.080 -11.899 1.00 0.00 O ATOM 0 H TYR A 57 -7.376 10.155 -9.223 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.263 7.700 -9.685 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.867 9.814 -7.565 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.947 8.325 -7.479 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.038 7.659 -10.053 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.680 11.577 -8.504 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.424 8.560 -11.669 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.072 12.481 -10.123 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.673 12.050 -11.780 1.00 0.00 H new ATOM 918 N LEU A 58 -8.015 7.715 -6.892 1.00 0.00 N ATOM 919 CA LEU A 58 -8.633 6.853 -5.890 1.00 0.00 C ATOM 920 C LEU A 58 -9.440 5.741 -6.551 1.00 0.00 C ATOM 921 O LEU A 58 -9.210 4.558 -6.299 1.00 0.00 O ATOM 922 CB LEU A 58 -9.535 7.676 -4.969 1.00 0.00 C ATOM 923 CG LEU A 58 -8.885 8.888 -4.301 1.00 0.00 C ATOM 924 CD1 LEU A 58 -9.931 9.726 -3.581 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.798 8.444 -3.333 1.00 0.00 C ATOM 0 H LEU A 58 -8.258 8.702 -6.808 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.839 6.397 -5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.392 8.021 -5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.920 7.019 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.426 9.503 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.450 10.584 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.675 10.074 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.419 9.121 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.346 9.320 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.234 7.807 -2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.034 7.887 -3.875 1.00 0.00 H new ATOM 937 N ASP A 59 -10.387 6.128 -7.399 1.00 0.00 N ATOM 938 CA ASP A 59 -11.227 5.163 -8.099 1.00 0.00 C ATOM 939 C ASP A 59 -10.375 4.166 -8.879 1.00 0.00 C ATOM 940 O ASP A 59 -10.556 2.956 -8.759 1.00 0.00 O ATOM 941 CB ASP A 59 -12.186 5.885 -9.048 1.00 0.00 C ATOM 942 CG ASP A 59 -13.341 5.004 -9.483 1.00 0.00 C ATOM 943 OD1 ASP A 59 -13.131 4.138 -10.359 1.00 0.00 O ATOM 944 OD2 ASP A 59 -14.455 5.180 -8.947 1.00 0.00 O ATOM 0 H ASP A 59 -10.592 7.103 -7.618 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.806 4.615 -7.356 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.577 6.776 -8.557 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.638 6.221 -9.928 1.00 0.00 H new ATOM 949 N GLU A 60 -9.448 4.685 -9.679 1.00 0.00 N ATOM 950 CA GLU A 60 -8.571 3.839 -10.479 1.00 0.00 C ATOM 951 C GLU A 60 -8.086 2.639 -9.671 1.00 0.00 C ATOM 952 O GLU A 60 -8.231 1.492 -10.094 1.00 0.00 O ATOM 953 CB GLU A 60 -7.372 4.644 -10.986 1.00 0.00 C ATOM 954 CG GLU A 60 -7.734 5.676 -12.040 1.00 0.00 C ATOM 955 CD GLU A 60 -6.558 6.047 -12.922 1.00 0.00 C ATOM 956 OE1 GLU A 60 -5.413 6.034 -12.422 1.00 0.00 O ATOM 957 OE2 GLU A 60 -6.781 6.350 -14.112 1.00 0.00 O ATOM 0 H GLU A 60 -9.286 5.686 -9.790 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.142 3.474 -11.333 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.901 5.148 -10.142 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.633 3.958 -11.400 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.541 5.287 -12.661 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.113 6.573 -11.550 1.00 0.00 H new ATOM 964 N ALA A 61 -7.509 2.912 -8.505 1.00 0.00 N ATOM 965 CA ALA A 61 -7.004 1.856 -7.636 1.00 0.00 C ATOM 966 C ALA A 61 -8.145 1.010 -7.081 1.00 0.00 C ATOM 967 O ALA A 61 -8.100 -0.218 -7.131 1.00 0.00 O ATOM 968 CB ALA A 61 -6.186 2.452 -6.501 1.00 0.00 C ATOM 0 H ALA A 61 -7.380 3.856 -8.140 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.361 1.207 -8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.815 1.652 -5.860 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.343 3.007 -6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.812 3.125 -5.915 1.00 0.00 H new ATOM 974 N GLU A 62 -9.167 1.676 -6.551 1.00 0.00 N ATOM 975 CA GLU A 62 -10.318 0.984 -5.985 1.00 0.00 C ATOM 976 C GLU A 62 -10.716 -0.207 -6.851 1.00 0.00 C ATOM 977 O GLU A 62 -10.840 -1.331 -6.363 1.00 0.00 O ATOM 978 CB GLU A 62 -11.500 1.945 -5.844 1.00 0.00 C ATOM 979 CG GLU A 62 -11.421 2.832 -4.613 1.00 0.00 C ATOM 980 CD GLU A 62 -12.751 3.474 -4.270 1.00 0.00 C ATOM 981 OE1 GLU A 62 -13.639 2.763 -3.755 1.00 0.00 O ATOM 982 OE2 GLU A 62 -12.904 4.689 -4.517 1.00 0.00 O ATOM 0 H GLU A 62 -9.220 2.693 -6.502 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.039 0.616 -4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.553 2.575 -6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.424 1.368 -5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.078 2.240 -3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.678 3.612 -4.779 1.00 0.00 H new ATOM 989 N LYS A 63 -10.918 0.046 -8.139 1.00 0.00 N ATOM 990 CA LYS A 63 -11.303 -1.003 -9.076 1.00 0.00 C ATOM 991 C LYS A 63 -10.568 -2.304 -8.766 1.00 0.00 C ATOM 992 O LYS A 63 -11.148 -3.387 -8.839 1.00 0.00 O ATOM 993 CB LYS A 63 -11.005 -0.567 -10.512 1.00 0.00 C ATOM 994 CG LYS A 63 -12.143 0.201 -11.162 1.00 0.00 C ATOM 995 CD LYS A 63 -13.251 -0.729 -11.626 1.00 0.00 C ATOM 996 CE LYS A 63 -12.868 -1.458 -12.905 1.00 0.00 C ATOM 997 NZ LYS A 63 -13.823 -2.554 -13.227 1.00 0.00 N ATOM 0 H LYS A 63 -10.821 0.970 -8.559 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.374 -1.176 -8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.109 0.054 -10.516 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.783 -1.449 -11.112 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.547 0.924 -10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.762 0.767 -12.012 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.469 -1.456 -10.843 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.163 -0.156 -11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.838 -0.749 -13.732 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.864 -1.870 -12.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.527 -3.026 -14.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.834 -3.245 -12.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.777 -2.158 -13.351 1.00 0.00 H new ATOM 1011 N GLU A 64 -9.290 -2.189 -8.419 1.00 0.00 N ATOM 1012 CA GLU A 64 -8.479 -3.357 -8.098 1.00 0.00 C ATOM 1013 C GLU A 64 -8.841 -3.910 -6.723 1.00 0.00 C ATOM 1014 O GLU A 64 -9.200 -5.079 -6.584 1.00 0.00 O ATOM 1015 CB GLU A 64 -6.992 -2.999 -8.141 1.00 0.00 C ATOM 1016 CG GLU A 64 -6.467 -2.744 -9.544 1.00 0.00 C ATOM 1017 CD GLU A 64 -5.943 -4.004 -10.208 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -4.895 -4.517 -9.764 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -6.581 -4.475 -11.172 1.00 0.00 O ATOM 0 H GLU A 64 -8.795 -1.300 -8.353 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.683 -4.125 -8.844 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.823 -2.111 -7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.419 -3.809 -7.689 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.264 -2.320 -10.155 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.670 -2.002 -9.501 1.00 0.00 H new ATOM 1026 N LYS A 65 -8.743 -3.060 -5.706 1.00 0.00 N ATOM 1027 CA LYS A 65 -9.060 -3.460 -4.340 1.00 0.00 C ATOM 1028 C LYS A 65 -10.304 -4.343 -4.307 1.00 0.00 C ATOM 1029 O LYS A 65 -10.436 -5.212 -3.445 1.00 0.00 O ATOM 1030 CB LYS A 65 -9.275 -2.226 -3.461 1.00 0.00 C ATOM 1031 CG LYS A 65 -9.722 -2.555 -2.047 1.00 0.00 C ATOM 1032 CD LYS A 65 -10.590 -1.453 -1.466 1.00 0.00 C ATOM 1033 CE LYS A 65 -10.858 -1.677 0.015 1.00 0.00 C ATOM 1034 NZ LYS A 65 -12.139 -1.054 0.448 1.00 0.00 N ATOM 0 H LYS A 65 -8.446 -2.089 -5.802 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.218 -4.033 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.347 -1.656 -3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.021 -1.583 -3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.277 -3.493 -2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.848 -2.703 -1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.100 -0.490 -1.607 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.536 -1.411 -2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.887 -2.747 0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.037 -1.262 0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.285 -1.229 1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.102 -0.029 0.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.926 -1.468 -0.091 1.00 0.00 H new ATOM 1048 N GLN A 66 -11.211 -4.115 -5.251 1.00 0.00 N ATOM 1049 CA GLN A 66 -12.443 -4.892 -5.329 1.00 0.00 C ATOM 1050 C GLN A 66 -12.142 -6.365 -5.582 1.00 0.00 C ATOM 1051 O GLN A 66 -12.367 -7.210 -4.716 1.00 0.00 O ATOM 1052 CB GLN A 66 -13.345 -4.346 -6.437 1.00 0.00 C ATOM 1053 CG GLN A 66 -13.704 -2.879 -6.262 1.00 0.00 C ATOM 1054 CD GLN A 66 -14.791 -2.663 -5.227 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -15.899 -3.182 -5.357 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -14.477 -1.894 -4.191 1.00 0.00 N ATOM 0 H GLN A 66 -11.117 -3.400 -5.972 1.00 0.00 H new ATOM 0 HA GLN A 66 -12.960 -4.805 -4.373 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.847 -4.477 -7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -14.262 -4.934 -6.471 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.813 -2.323 -5.969 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.033 -2.473 -7.219 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.545 -1.484 -4.124 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -15.167 -1.713 -3.462 1.00 0.00 H new ATOM 1065 N GLN A 67 -11.635 -6.665 -6.773 1.00 0.00 N ATOM 1066 CA GLN A 67 -11.305 -8.037 -7.139 1.00 0.00 C ATOM 1067 C GLN A 67 -10.315 -8.642 -6.148 1.00 0.00 C ATOM 1068 O GLN A 67 -10.326 -9.849 -5.903 1.00 0.00 O ATOM 1069 CB GLN A 67 -10.723 -8.085 -8.553 1.00 0.00 C ATOM 1070 CG GLN A 67 -9.524 -7.171 -8.748 1.00 0.00 C ATOM 1071 CD GLN A 67 -8.827 -7.397 -10.076 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -7.926 -8.229 -10.182 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -9.243 -6.656 -11.096 1.00 0.00 N ATOM 0 H GLN A 67 -11.444 -5.977 -7.501 1.00 0.00 H new ATOM 0 HA GLN A 67 -12.223 -8.624 -7.112 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.430 -9.110 -8.782 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.500 -7.809 -9.266 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.850 -6.133 -8.685 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.814 -7.332 -7.937 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.993 -5.978 -10.961 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.812 -6.764 -12.014 1.00 0.00 H new ATOM 1082 N TYR A 68 -9.460 -7.796 -5.583 1.00 0.00 N ATOM 1083 CA TYR A 68 -8.462 -8.248 -4.621 1.00 0.00 C ATOM 1084 C TYR A 68 -9.127 -8.815 -3.370 1.00 0.00 C ATOM 1085 O TYR A 68 -8.771 -9.895 -2.899 1.00 0.00 O ATOM 1086 CB TYR A 68 -7.533 -7.095 -4.240 1.00 0.00 C ATOM 1087 CG TYR A 68 -6.943 -7.225 -2.854 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -7.674 -6.862 -1.729 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -5.655 -7.712 -2.668 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -7.140 -6.979 -0.461 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -5.112 -7.833 -1.403 1.00 0.00 C ATOM 1092 CZ TYR A 68 -5.858 -7.465 -0.303 1.00 0.00 C ATOM 1093 OH TYR A 68 -5.323 -7.584 0.959 1.00 0.00 O ATOM 0 H TYR A 68 -9.438 -6.794 -5.775 1.00 0.00 H new ATOM 0 HA TYR A 68 -7.876 -9.039 -5.089 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.723 -7.037 -4.967 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -8.086 -6.158 -4.304 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.678 -6.482 -1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.068 -8.001 -3.527 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.722 -6.692 0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.109 -8.214 -1.277 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.413 -7.942 0.896 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.096 -8.077 -2.838 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.814 -8.504 -1.642 1.00 0.00 C ATOM 1105 C LEU A 69 -11.165 -9.987 -1.718 1.00 0.00 C ATOM 1106 O LEU A 69 -10.725 -10.784 -0.889 1.00 0.00 O ATOM 1107 CB LEU A 69 -12.087 -7.675 -1.463 1.00 0.00 C ATOM 1108 CG LEU A 69 -11.895 -6.260 -0.918 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.032 -5.356 -1.368 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.797 -6.281 0.600 1.00 0.00 C ATOM 0 H LEU A 69 -10.402 -7.180 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.163 -8.347 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.590 -7.606 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.756 -8.214 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.962 -5.862 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.878 -4.353 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.055 -5.315 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.979 -5.751 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.661 -5.265 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.713 -6.699 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.948 -6.894 0.901 1.00 0.00 H new ATOM 1122 N LYS A 70 -11.958 -10.350 -2.719 1.00 0.00 N ATOM 1123 CA LYS A 70 -12.367 -11.737 -2.907 1.00 0.00 C ATOM 1124 C LYS A 70 -11.160 -12.669 -2.881 1.00 0.00 C ATOM 1125 O LYS A 70 -11.171 -13.695 -2.202 1.00 0.00 O ATOM 1126 CB LYS A 70 -13.117 -11.894 -4.232 1.00 0.00 C ATOM 1127 CG LYS A 70 -14.424 -11.123 -4.287 1.00 0.00 C ATOM 1128 CD LYS A 70 -15.268 -11.539 -5.479 1.00 0.00 C ATOM 1129 CE LYS A 70 -14.659 -11.062 -6.788 1.00 0.00 C ATOM 1130 NZ LYS A 70 -14.742 -9.583 -6.932 1.00 0.00 N ATOM 0 H LYS A 70 -12.331 -9.703 -3.414 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.031 -12.008 -2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.473 -11.560 -5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.321 -12.951 -4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.985 -11.290 -3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.215 -10.055 -4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.365 -12.625 -5.496 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.273 -11.131 -5.374 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.616 -11.374 -6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.174 -11.538 -7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.458 -9.311 -7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.719 -9.272 -6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.107 -9.131 -6.244 1.00 0.00 H new ATOM 1144 N GLU A 71 -10.119 -12.302 -3.624 1.00 0.00 N ATOM 1145 CA GLU A 71 -8.904 -13.106 -3.684 1.00 0.00 C ATOM 1146 C GLU A 71 -8.372 -13.395 -2.283 1.00 0.00 C ATOM 1147 O GLU A 71 -7.616 -14.345 -2.076 1.00 0.00 O ATOM 1148 CB GLU A 71 -7.833 -12.390 -4.510 1.00 0.00 C ATOM 1149 CG GLU A 71 -8.163 -12.304 -5.991 1.00 0.00 C ATOM 1150 CD GLU A 71 -7.979 -13.627 -6.708 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -6.820 -13.983 -7.006 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -8.993 -14.306 -6.972 1.00 0.00 O ATOM 0 H GLU A 71 -10.093 -11.455 -4.191 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.150 -14.054 -4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.697 -11.382 -4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.883 -12.911 -4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.194 -11.971 -6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.528 -11.551 -6.458 1.00 0.00 H new ATOM 1159 N LEU A 72 -8.772 -12.567 -1.324 1.00 0.00 N ATOM 1160 CA LEU A 72 -8.336 -12.732 0.059 1.00 0.00 C ATOM 1161 C LEU A 72 -9.181 -13.780 0.775 1.00 0.00 C ATOM 1162 O LEU A 72 -8.659 -14.778 1.272 1.00 0.00 O ATOM 1163 CB LEU A 72 -8.419 -11.398 0.803 1.00 0.00 C ATOM 1164 CG LEU A 72 -7.766 -11.358 2.185 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -6.348 -11.903 2.121 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -7.769 -9.940 2.735 1.00 0.00 C ATOM 0 H LEU A 72 -9.397 -11.776 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.300 -13.072 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.957 -10.630 0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.470 -11.131 0.912 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.346 -11.989 2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.899 -11.867 3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.370 -12.935 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.757 -11.299 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.300 -9.930 3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.213 -9.288 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.796 -9.584 2.819 1.00 0.00 H new ATOM 1178 N TRP A 73 -10.487 -13.548 0.823 1.00 0.00 N ATOM 1179 CA TRP A 73 -11.406 -14.473 1.476 1.00 0.00 C ATOM 1180 C TRP A 73 -11.927 -15.511 0.488 1.00 0.00 C ATOM 1181 O TRP A 73 -11.822 -16.714 0.726 1.00 0.00 O ATOM 1182 CB TRP A 73 -12.576 -13.709 2.097 1.00 0.00 C ATOM 1183 CG TRP A 73 -13.232 -12.752 1.147 1.00 0.00 C ATOM 1184 CD1 TRP A 73 -12.733 -11.557 0.714 1.00 0.00 C ATOM 1185 CD2 TRP A 73 -14.508 -12.910 0.518 1.00 0.00 C ATOM 1186 NE1 TRP A 73 -13.622 -10.963 -0.148 1.00 0.00 N ATOM 1187 CE2 TRP A 73 -14.718 -11.772 -0.286 1.00 0.00 C ATOM 1188 CE3 TRP A 73 -15.491 -13.901 0.552 1.00 0.00 C ATOM 1189 CZ2 TRP A 73 -15.872 -11.601 -1.046 1.00 0.00 C ATOM 1190 CZ3 TRP A 73 -16.637 -13.730 -0.202 1.00 0.00 C ATOM 1191 CH2 TRP A 73 -16.819 -12.587 -0.994 1.00 0.00 C ATOM 0 H TRP A 73 -10.934 -12.726 0.417 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.861 -14.991 2.265 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -13.319 -14.423 2.453 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -12.220 -13.159 2.968 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -11.780 -11.141 1.006 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.487 -10.064 -0.611 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -15.358 -14.786 1.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -16.015 -10.721 -1.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -17.405 -14.489 -0.181 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -17.724 -12.483 -1.574 1.00 0.00 H new ATOM 1202 N ALA A 74 -12.488 -15.039 -0.619 1.00 0.00 N ATOM 1203 CA ALA A 74 -13.023 -15.927 -1.644 1.00 0.00 C ATOM 1204 C ALA A 74 -12.094 -17.113 -1.882 1.00 0.00 C ATOM 1205 O ALA A 74 -12.532 -18.179 -2.313 1.00 0.00 O ATOM 1206 CB ALA A 74 -13.248 -15.163 -2.940 1.00 0.00 C ATOM 0 H ALA A 74 -12.584 -14.046 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 74 -13.980 -16.313 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -13.648 -15.839 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -13.956 -14.353 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.301 -14.749 -3.287 1.00 0.00 H new ATOM 1212 N TYR A 75 -10.811 -16.920 -1.598 1.00 0.00 N ATOM 1213 CA TYR A 75 -9.820 -17.973 -1.783 1.00 0.00 C ATOM 1214 C TYR A 75 -9.653 -18.795 -0.509 1.00 0.00 C ATOM 1215 O TYR A 75 -9.609 -20.024 -0.552 1.00 0.00 O ATOM 1216 CB TYR A 75 -8.475 -17.371 -2.195 1.00 0.00 C ATOM 1217 CG TYR A 75 -7.285 -18.195 -1.762 1.00 0.00 C ATOM 1218 CD1 TYR A 75 -7.022 -19.430 -2.341 1.00 0.00 C ATOM 1219 CD2 TYR A 75 -6.420 -17.738 -0.775 1.00 0.00 C ATOM 1220 CE1 TYR A 75 -5.935 -20.187 -1.949 1.00 0.00 C ATOM 1221 CE2 TYR A 75 -5.330 -18.487 -0.376 1.00 0.00 C ATOM 1222 CZ TYR A 75 -5.092 -19.712 -0.965 1.00 0.00 C ATOM 1223 OH TYR A 75 -4.008 -20.462 -0.573 1.00 0.00 O ATOM 0 H TYR A 75 -10.433 -16.044 -1.239 1.00 0.00 H new ATOM 0 HA TYR A 75 -10.173 -18.633 -2.575 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.454 -17.259 -3.279 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.388 -16.371 -1.769 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.679 -19.805 -3.112 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -6.603 -16.780 -0.311 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.746 -21.145 -2.410 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.668 -18.116 0.392 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.516 -19.985 0.128 1.00 0.00 H new ATOM 1233 N GLN A 76 -9.560 -18.106 0.623 1.00 0.00 N ATOM 1234 CA GLN A 76 -9.398 -18.771 1.910 1.00 0.00 C ATOM 1235 C GLN A 76 -10.544 -19.743 2.169 1.00 0.00 C ATOM 1236 O GLN A 76 -10.321 -20.886 2.569 1.00 0.00 O ATOM 1237 CB GLN A 76 -9.326 -17.739 3.037 1.00 0.00 C ATOM 1238 CG GLN A 76 -7.946 -17.123 3.211 1.00 0.00 C ATOM 1239 CD GLN A 76 -7.868 -16.194 4.406 1.00 0.00 C ATOM 1240 OE1 GLN A 76 -7.243 -16.515 5.418 1.00 0.00 O ATOM 1241 NE2 GLN A 76 -8.504 -15.032 4.296 1.00 0.00 N ATOM 0 H GLN A 76 -9.594 -17.088 0.675 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.466 -19.335 1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.047 -16.946 2.838 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.624 -18.213 3.972 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.209 -17.918 3.325 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.682 -16.571 2.309 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.010 -14.807 3.439 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.486 -14.366 5.068 1.00 0.00 H new ATOM 1250 N GLN A 77 -11.768 -19.282 1.938 1.00 0.00 N ATOM 1251 CA GLN A 77 -12.949 -20.112 2.147 1.00 0.00 C ATOM 1252 C GLN A 77 -13.215 -20.996 0.933 1.00 0.00 C ATOM 1253 O GLN A 77 -14.312 -21.531 0.771 1.00 0.00 O ATOM 1254 CB GLN A 77 -14.170 -19.237 2.433 1.00 0.00 C ATOM 1255 CG GLN A 77 -14.532 -18.304 1.288 1.00 0.00 C ATOM 1256 CD GLN A 77 -15.982 -17.865 1.328 1.00 0.00 C ATOM 1257 OE1 GLN A 77 -16.331 -16.901 2.011 1.00 0.00 O ATOM 1258 NE2 GLN A 77 -16.836 -18.570 0.597 1.00 0.00 N ATOM 0 H GLN A 77 -11.969 -18.339 1.606 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.762 -20.754 3.008 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -15.023 -19.879 2.651 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -13.980 -18.644 3.328 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -13.889 -17.424 1.324 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -14.334 -18.805 0.340 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -16.503 -19.361 0.046 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -17.825 -18.321 0.586 1.00 0.00 H new ATOM 1267 N SER A 78 -12.205 -21.143 0.082 1.00 0.00 N ATOM 1268 CA SER A 78 -12.331 -21.959 -1.120 1.00 0.00 C ATOM 1269 C SER A 78 -11.867 -23.389 -0.858 1.00 0.00 C ATOM 1270 O SER A 78 -11.028 -23.630 0.009 1.00 0.00 O ATOM 1271 CB SER A 78 -11.520 -21.349 -2.264 1.00 0.00 C ATOM 1272 OG SER A 78 -12.028 -21.755 -3.523 1.00 0.00 O ATOM 0 H SER A 78 -11.290 -20.708 0.202 1.00 0.00 H new ATOM 0 HA SER A 78 -13.383 -21.983 -1.403 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.545 -20.262 -2.192 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.476 -21.651 -2.175 1.00 0.00 H new ATOM 0 HG SER A 78 -11.493 -21.350 -4.238 1.00 0.00 H new ATOM 1278 N GLU A 79 -12.420 -24.332 -1.614 1.00 0.00 N ATOM 1279 CA GLU A 79 -12.062 -25.737 -1.463 1.00 0.00 C ATOM 1280 C GLU A 79 -10.558 -25.936 -1.620 1.00 0.00 C ATOM 1281 O GLU A 79 -9.931 -26.652 -0.839 1.00 0.00 O ATOM 1282 CB GLU A 79 -12.809 -26.590 -2.491 1.00 0.00 C ATOM 1283 CG GLU A 79 -12.653 -26.096 -3.920 1.00 0.00 C ATOM 1284 CD GLU A 79 -13.463 -26.910 -4.911 1.00 0.00 C ATOM 1285 OE1 GLU A 79 -14.522 -27.441 -4.515 1.00 0.00 O ATOM 1286 OE2 GLU A 79 -13.038 -27.017 -6.080 1.00 0.00 O ATOM 0 H GLU A 79 -13.117 -24.149 -2.336 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.350 -26.052 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.449 -27.617 -2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.868 -26.608 -2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.961 -25.052 -3.975 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.600 -26.133 -4.200 1.00 0.00 H new ATOM 1293 N ALA A 80 -9.984 -25.298 -2.635 1.00 0.00 N ATOM 1294 CA ALA A 80 -8.554 -25.403 -2.892 1.00 0.00 C ATOM 1295 C ALA A 80 -7.748 -25.214 -1.611 1.00 0.00 C ATOM 1296 O ALA A 80 -6.598 -25.642 -1.520 1.00 0.00 O ATOM 1297 CB ALA A 80 -8.129 -24.382 -3.939 1.00 0.00 C ATOM 0 H ALA A 80 -10.488 -24.703 -3.292 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.353 -26.405 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.058 -24.472 -4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.671 -24.565 -4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.353 -23.378 -3.580 1.00 0.00 H new ATOM 1303 N TYR A 81 -8.361 -24.569 -0.624 1.00 0.00 N ATOM 1304 CA TYR A 81 -7.700 -24.321 0.652 1.00 0.00 C ATOM 1305 C TYR A 81 -7.695 -25.578 1.517 1.00 0.00 C ATOM 1306 O TYR A 81 -6.671 -25.946 2.093 1.00 0.00 O ATOM 1307 CB TYR A 81 -8.395 -23.179 1.396 1.00 0.00 C ATOM 1308 CG TYR A 81 -7.665 -22.739 2.646 1.00 0.00 C ATOM 1309 CD1 TYR A 81 -6.503 -21.983 2.565 1.00 0.00 C ATOM 1310 CD2 TYR A 81 -8.140 -23.078 3.907 1.00 0.00 C ATOM 1311 CE1 TYR A 81 -5.832 -21.579 3.703 1.00 0.00 C ATOM 1312 CE2 TYR A 81 -7.478 -22.676 5.051 1.00 0.00 C ATOM 1313 CZ TYR A 81 -6.324 -21.928 4.944 1.00 0.00 C ATOM 1314 OH TYR A 81 -5.660 -21.526 6.081 1.00 0.00 O ATOM 0 H TYR A 81 -9.313 -24.209 -0.683 1.00 0.00 H new ATOM 0 HA TYR A 81 -6.667 -24.038 0.448 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -8.495 -22.326 0.724 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -9.404 -23.492 1.665 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.117 -21.706 1.595 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.042 -23.666 3.994 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.928 -20.994 3.622 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.862 -22.946 6.024 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.138 -21.853 6.872 1.00 0.00 H new ATOM 1324 N LYS A 82 -8.848 -26.233 1.603 1.00 0.00 N ATOM 1325 CA LYS A 82 -8.979 -27.450 2.395 1.00 0.00 C ATOM 1326 C LYS A 82 -8.158 -28.585 1.791 1.00 0.00 C ATOM 1327 O LYS A 82 -7.331 -29.196 2.467 1.00 0.00 O ATOM 1328 CB LYS A 82 -10.450 -27.865 2.491 1.00 0.00 C ATOM 1329 CG LYS A 82 -11.342 -26.804 3.111 1.00 0.00 C ATOM 1330 CD LYS A 82 -12.583 -27.416 3.737 1.00 0.00 C ATOM 1331 CE LYS A 82 -12.273 -28.048 5.086 1.00 0.00 C ATOM 1332 NZ LYS A 82 -13.457 -28.751 5.655 1.00 0.00 N ATOM 0 H LYS A 82 -9.705 -25.941 1.134 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.599 -27.244 3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.819 -28.099 1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.523 -28.779 3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.783 -26.256 3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.636 -26.083 2.348 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.346 -26.648 3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.996 -28.170 3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.450 -28.754 4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.940 -27.277 5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.205 -29.168 6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.235 -28.073 5.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.759 -29.504 5.005 1.00 0.00 H new ATOM 1346 N VAL A 83 -8.391 -28.861 0.511 1.00 0.00 N ATOM 1347 CA VAL A 83 -7.672 -29.920 -0.186 1.00 0.00 C ATOM 1348 C VAL A 83 -6.167 -29.797 0.032 1.00 0.00 C ATOM 1349 O VAL A 83 -5.447 -30.797 0.040 1.00 0.00 O ATOM 1350 CB VAL A 83 -7.963 -29.896 -1.698 1.00 0.00 C ATOM 1351 CG1 VAL A 83 -7.150 -28.808 -2.382 1.00 0.00 C ATOM 1352 CG2 VAL A 83 -7.678 -31.255 -2.317 1.00 0.00 C ATOM 0 H VAL A 83 -9.072 -28.365 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.022 -30.866 0.229 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.020 -29.671 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.369 -28.807 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.410 -27.838 -1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.087 -28.998 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.889 -31.220 -3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.630 -31.513 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.310 -32.009 -1.847 1.00 0.00 H new ATOM 1362 N CYS A 84 -5.699 -28.567 0.209 1.00 0.00 N ATOM 1363 CA CYS A 84 -4.279 -28.312 0.426 1.00 0.00 C ATOM 1364 C CYS A 84 -3.960 -28.253 1.916 1.00 0.00 C ATOM 1365 O CYS A 84 -4.814 -27.902 2.733 1.00 0.00 O ATOM 1366 CB CYS A 84 -3.864 -27.005 -0.250 1.00 0.00 C ATOM 1367 SG CYS A 84 -3.751 -27.110 -2.051 1.00 0.00 S ATOM 0 H CYS A 84 -6.282 -27.730 0.207 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.716 -29.134 -0.016 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.582 -26.228 0.014 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -2.897 -26.694 0.147 1.00 0.00 H new ATOM 0 HG CYS A 84 -4.814 -26.584 -2.584 1.00 0.00 H new ATOM 1373 N THR A 85 -2.725 -28.599 2.266 1.00 0.00 N ATOM 1374 CA THR A 85 -2.294 -28.587 3.658 1.00 0.00 C ATOM 1375 C THR A 85 -2.348 -27.178 4.239 1.00 0.00 C ATOM 1376 O THR A 85 -2.447 -26.197 3.503 1.00 0.00 O ATOM 1377 CB THR A 85 -0.863 -29.138 3.808 1.00 0.00 C ATOM 1378 OG1 THR A 85 -0.527 -29.260 5.194 1.00 0.00 O ATOM 1379 CG2 THR A 85 0.142 -28.227 3.117 1.00 0.00 C ATOM 0 H THR A 85 -2.006 -28.891 1.604 1.00 0.00 H new ATOM 0 HA THR A 85 -2.982 -29.230 4.207 1.00 0.00 H new ATOM 0 HB THR A 85 -0.825 -30.120 3.337 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.383 -29.612 5.280 1.00 0.00 H new ATOM 0 HG21 THR A 85 1.145 -28.636 3.236 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.098 -28.158 2.056 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.100 -27.234 3.564 1.00 0.00 H new ATOM 1387 N GLU A 86 -2.281 -27.086 5.564 1.00 0.00 N ATOM 1388 CA GLU A 86 -2.323 -25.796 6.242 1.00 0.00 C ATOM 1389 C GLU A 86 -1.549 -25.847 7.556 1.00 0.00 C ATOM 1390 O GLU A 86 -1.282 -26.923 8.090 1.00 0.00 O ATOM 1391 CB GLU A 86 -3.772 -25.380 6.506 1.00 0.00 C ATOM 1392 CG GLU A 86 -4.462 -26.221 7.566 1.00 0.00 C ATOM 1393 CD GLU A 86 -5.831 -25.686 7.935 1.00 0.00 C ATOM 1394 OE1 GLU A 86 -6.510 -25.129 7.047 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -6.225 -25.825 9.113 1.00 0.00 O ATOM 0 H GLU A 86 -2.198 -27.889 6.188 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.854 -25.057 5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.791 -24.335 6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.336 -25.448 5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.561 -27.244 7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.838 -26.258 8.459 1.00 0.00 H new ATOM 1402 N SER A 87 -1.190 -24.675 8.070 1.00 0.00 N ATOM 1403 CA SER A 87 -0.442 -24.585 9.319 1.00 0.00 C ATOM 1404 C SER A 87 -0.940 -25.618 10.325 1.00 0.00 C ATOM 1405 O SER A 87 -0.149 -26.297 10.978 1.00 0.00 O ATOM 1406 CB SER A 87 -0.564 -23.179 9.911 1.00 0.00 C ATOM 1407 OG SER A 87 0.317 -22.277 9.265 1.00 0.00 O ATOM 0 H SER A 87 -1.405 -23.775 7.641 1.00 0.00 H new ATOM 0 HA SER A 87 0.606 -24.790 9.102 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.590 -22.826 9.810 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.341 -23.209 10.978 1.00 0.00 H new ATOM 0 HG SER A 87 0.219 -21.385 9.660 1.00 0.00 H new ATOM 1413 N GLY A 88 -2.259 -25.730 10.446 1.00 0.00 N ATOM 1414 CA GLY A 88 -2.842 -26.681 11.375 1.00 0.00 C ATOM 1415 C GLY A 88 -2.993 -28.062 10.771 1.00 0.00 C ATOM 1416 O GLY A 88 -2.363 -28.397 9.768 1.00 0.00 O ATOM 0 H GLY A 88 -2.935 -25.179 9.917 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.217 -26.744 12.266 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.819 -26.319 11.696 1.00 0.00 H new ATOM 1420 N PRO A 89 -3.846 -28.893 11.389 1.00 0.00 N ATOM 1421 CA PRO A 89 -4.096 -30.260 10.924 1.00 0.00 C ATOM 1422 C PRO A 89 -4.866 -30.293 9.608 1.00 0.00 C ATOM 1423 O PRO A 89 -5.826 -29.544 9.421 1.00 0.00 O ATOM 1424 CB PRO A 89 -4.936 -30.869 12.050 1.00 0.00 C ATOM 1425 CG PRO A 89 -5.600 -29.705 12.700 1.00 0.00 C ATOM 1426 CD PRO A 89 -4.631 -28.561 12.590 1.00 0.00 C ATOM 0 HA PRO A 89 -3.170 -30.799 10.725 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -5.669 -31.575 11.660 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -4.313 -31.415 12.758 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -6.542 -29.467 12.206 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -5.832 -29.921 13.743 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -5.147 -27.607 12.482 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.999 -28.483 13.475 1.00 0.00 H new ATOM 1434 N SER A 90 -4.440 -31.165 8.700 1.00 0.00 N ATOM 1435 CA SER A 90 -5.087 -31.293 7.400 1.00 0.00 C ATOM 1436 C SER A 90 -6.207 -32.329 7.450 1.00 0.00 C ATOM 1437 O SER A 90 -7.344 -32.049 7.072 1.00 0.00 O ATOM 1438 CB SER A 90 -4.063 -31.683 6.333 1.00 0.00 C ATOM 1439 OG SER A 90 -4.677 -31.819 5.063 1.00 0.00 O ATOM 0 H SER A 90 -3.649 -31.794 8.841 1.00 0.00 H new ATOM 0 HA SER A 90 -5.521 -30.327 7.141 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.280 -30.927 6.283 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.583 -32.621 6.611 1.00 0.00 H new ATOM 0 HG SER A 90 -4.001 -32.067 4.398 1.00 0.00 H new ATOM 1445 N SER A 91 -5.873 -33.527 7.918 1.00 0.00 N ATOM 1446 CA SER A 91 -6.848 -34.608 8.015 1.00 0.00 C ATOM 1447 C SER A 91 -8.142 -34.118 8.660 1.00 0.00 C ATOM 1448 O SER A 91 -9.236 -34.392 8.169 1.00 0.00 O ATOM 1449 CB SER A 91 -6.272 -35.772 8.822 1.00 0.00 C ATOM 1450 OG SER A 91 -6.951 -36.982 8.528 1.00 0.00 O ATOM 0 H SER A 91 -4.936 -33.774 8.236 1.00 0.00 H new ATOM 0 HA SER A 91 -7.073 -34.951 7.005 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.211 -35.883 8.599 1.00 0.00 H new ATOM 0 HB3 SER A 91 -6.353 -35.555 9.887 1.00 0.00 H new ATOM 0 HG SER A 91 -6.563 -37.711 9.055 1.00 0.00 H new ATOM 1456 N GLY A 92 -8.005 -33.389 9.764 1.00 0.00 N ATOM 1457 CA GLY A 92 -9.169 -32.873 10.460 1.00 0.00 C ATOM 1458 C GLY A 92 -9.145 -33.186 11.943 1.00 0.00 C ATOM 1459 O GLY A 92 -8.103 -33.541 12.492 1.00 0.00 O ATOM 0 H GLY A 92 -7.109 -33.147 10.188 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.222 -31.793 10.321 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.070 -33.297 10.017 1.00 0.00 H new TER 1463 GLY A 92