USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 442 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 52 CYS SG : rot 133:sc= 0.438 USER MOD Set 1.2: A 54 ASN : amide:sc= -1.21 K(o=1.8,f=-0.88!) USER MOD Set 1.3: A 57 CYS SG : rot 180:sc= 0.0431 USER MOD Set 1.4: A 79 CYS SG : rot -59:sc= 0.737 USER MOD Set 1.5: A 82 CYS SG : rot 68:sc= 1.75 USER MOD Set 2.1: A 39 CYS SG : rot 171:sc= -0.605 USER MOD Set 2.2: A 41 CYS SG : rot -83:sc= -2.19 USER MOD Set 2.3: A 46 TYR OH : rot 180:sc=-0.00946 USER MOD Set 2.4: A 63 HIS : no HE2:sc= -0.503 K(o=-3.3,f=-4.8) USER MOD Set 2.5: A 66 CYS SG : rot -150:sc= 0 USER MOD Set 3.1: A 37 THR OG1 : rot -160:sc= 0 USER MOD Set 3.2: A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0867 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0439 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 25:sc= 1.25 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.44) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -177:sc= -2.13! (180deg=-2.27!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= 0.00452 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 89.160 37.762 54.378 1.00 0.00 N ATOM 2 CA GLY A 1 88.900 38.115 52.995 1.00 0.00 C ATOM 3 C GLY A 1 87.635 37.472 52.460 1.00 0.00 C ATOM 4 O GLY A 1 87.064 36.587 53.097 1.00 0.00 O ATOM 0 H1 GLY A 1 89.028 38.599 54.981 1.00 0.00 H new ATOM 0 H2 GLY A 1 88.501 37.014 54.675 1.00 0.00 H new ATOM 0 H3 GLY A 1 90.138 37.419 54.471 1.00 0.00 H new ATOM 0 HA2 GLY A 1 88.817 39.198 52.909 1.00 0.00 H new ATOM 0 HA3 GLY A 1 89.747 37.810 52.380 1.00 0.00 H new ATOM 8 N SER A 2 87.196 37.919 51.288 1.00 0.00 N ATOM 9 CA SER A 2 85.987 37.386 50.671 1.00 0.00 C ATOM 10 C SER A 2 85.778 37.981 49.282 1.00 0.00 C ATOM 11 O SER A 2 86.521 38.865 48.855 1.00 0.00 O ATOM 12 CB SER A 2 84.769 37.675 51.550 1.00 0.00 C ATOM 13 OG SER A 2 83.650 36.909 51.140 1.00 0.00 O ATOM 0 H SER A 2 87.659 38.649 50.747 1.00 0.00 H new ATOM 0 HA SER A 2 86.106 36.307 50.571 1.00 0.00 H new ATOM 0 HB2 SER A 2 85.006 37.450 52.590 1.00 0.00 H new ATOM 0 HB3 SER A 2 84.525 38.736 51.501 1.00 0.00 H new ATOM 0 HG SER A 2 82.885 37.111 51.719 1.00 0.00 H new ATOM 19 N SER A 3 84.762 37.489 48.581 1.00 0.00 N ATOM 20 CA SER A 3 84.456 37.969 47.238 1.00 0.00 C ATOM 21 C SER A 3 83.105 37.441 46.767 1.00 0.00 C ATOM 22 O SER A 3 82.491 36.600 47.423 1.00 0.00 O ATOM 23 CB SER A 3 85.552 37.543 46.259 1.00 0.00 C ATOM 24 OG SER A 3 85.624 38.429 45.156 1.00 0.00 O ATOM 0 H SER A 3 84.137 36.758 48.920 1.00 0.00 H new ATOM 0 HA SER A 3 84.410 39.058 47.270 1.00 0.00 H new ATOM 0 HB2 SER A 3 86.513 37.518 46.773 1.00 0.00 H new ATOM 0 HB3 SER A 3 85.354 36.531 45.904 1.00 0.00 H new ATOM 0 HG SER A 3 86.333 38.136 44.546 1.00 0.00 H new ATOM 30 N GLY A 4 82.646 37.942 45.623 1.00 0.00 N ATOM 31 CA GLY A 4 81.371 37.510 45.083 1.00 0.00 C ATOM 32 C GLY A 4 80.997 38.252 43.815 1.00 0.00 C ATOM 33 O GLY A 4 81.677 39.198 43.418 1.00 0.00 O ATOM 0 H GLY A 4 83.135 38.639 45.062 1.00 0.00 H new ATOM 0 HA2 GLY A 4 81.411 36.441 44.876 1.00 0.00 H new ATOM 0 HA3 GLY A 4 80.593 37.661 45.831 1.00 0.00 H new ATOM 37 N SER A 5 79.913 37.823 43.177 1.00 0.00 N ATOM 38 CA SER A 5 79.453 38.450 41.944 1.00 0.00 C ATOM 39 C SER A 5 78.122 37.854 41.495 1.00 0.00 C ATOM 40 O SER A 5 77.677 36.833 42.021 1.00 0.00 O ATOM 41 CB SER A 5 80.498 38.280 40.840 1.00 0.00 C ATOM 42 OG SER A 5 80.423 39.338 39.900 1.00 0.00 O ATOM 0 H SER A 5 79.337 37.043 43.494 1.00 0.00 H new ATOM 0 HA SER A 5 79.309 39.513 42.138 1.00 0.00 H new ATOM 0 HB2 SER A 5 81.495 38.250 41.280 1.00 0.00 H new ATOM 0 HB3 SER A 5 80.345 37.327 40.333 1.00 0.00 H new ATOM 0 HG SER A 5 81.102 39.207 39.206 1.00 0.00 H new ATOM 48 N SER A 6 77.490 38.500 40.520 1.00 0.00 N ATOM 49 CA SER A 6 76.208 38.037 40.002 1.00 0.00 C ATOM 50 C SER A 6 75.770 38.877 38.806 1.00 0.00 C ATOM 51 O SER A 6 76.450 39.827 38.418 1.00 0.00 O ATOM 52 CB SER A 6 75.141 38.093 41.097 1.00 0.00 C ATOM 53 OG SER A 6 75.094 36.878 41.825 1.00 0.00 O ATOM 0 H SER A 6 77.845 39.345 40.073 1.00 0.00 H new ATOM 0 HA SER A 6 76.328 37.004 39.674 1.00 0.00 H new ATOM 0 HB2 SER A 6 75.354 38.919 41.775 1.00 0.00 H new ATOM 0 HB3 SER A 6 74.167 38.291 40.650 1.00 0.00 H new ATOM 0 HG SER A 6 75.962 36.427 41.765 1.00 0.00 H new ATOM 59 N GLY A 7 74.628 38.520 38.226 1.00 0.00 N ATOM 60 CA GLY A 7 74.118 39.250 37.081 1.00 0.00 C ATOM 61 C GLY A 7 73.149 38.428 36.254 1.00 0.00 C ATOM 62 O GLY A 7 73.170 37.199 36.302 1.00 0.00 O ATOM 0 H GLY A 7 74.047 37.738 38.529 1.00 0.00 H new ATOM 0 HA2 GLY A 7 73.620 40.156 37.425 1.00 0.00 H new ATOM 0 HA3 GLY A 7 74.952 39.563 36.453 1.00 0.00 H new ATOM 66 N SER A 8 72.296 39.109 35.495 1.00 0.00 N ATOM 67 CA SER A 8 71.311 38.434 34.659 1.00 0.00 C ATOM 68 C SER A 8 70.602 39.429 33.744 1.00 0.00 C ATOM 69 O SER A 8 69.923 40.351 34.195 1.00 0.00 O ATOM 70 CB SER A 8 70.286 37.704 35.529 1.00 0.00 C ATOM 71 OG SER A 8 69.565 36.746 34.773 1.00 0.00 O ATOM 0 H SER A 8 72.268 40.127 35.442 1.00 0.00 H new ATOM 0 HA SER A 8 71.835 37.706 34.039 1.00 0.00 H new ATOM 0 HB2 SER A 8 70.794 37.211 36.358 1.00 0.00 H new ATOM 0 HB3 SER A 8 69.594 38.425 35.963 1.00 0.00 H new ATOM 0 HG SER A 8 68.918 36.292 35.352 1.00 0.00 H new ATOM 77 N PRO A 9 70.763 39.237 32.426 1.00 0.00 N ATOM 78 CA PRO A 9 70.146 40.106 31.419 1.00 0.00 C ATOM 79 C PRO A 9 68.632 39.939 31.358 1.00 0.00 C ATOM 80 O PRO A 9 68.049 39.194 32.145 1.00 0.00 O ATOM 81 CB PRO A 9 70.788 39.643 30.109 1.00 0.00 C ATOM 82 CG PRO A 9 71.187 38.230 30.362 1.00 0.00 C ATOM 83 CD PRO A 9 71.558 38.158 31.817 1.00 0.00 C ATOM 0 HA PRO A 9 70.307 41.161 31.639 1.00 0.00 H new ATOM 0 HB2 PRO A 9 70.087 39.714 29.278 1.00 0.00 H new ATOM 0 HB3 PRO A 9 71.650 40.258 29.852 1.00 0.00 H new ATOM 0 HG2 PRO A 9 70.369 37.547 30.134 1.00 0.00 H new ATOM 0 HG3 PRO A 9 72.028 37.943 29.730 1.00 0.00 H new ATOM 0 HD2 PRO A 9 71.313 37.187 32.247 1.00 0.00 H new ATOM 0 HD3 PRO A 9 72.627 38.312 31.967 1.00 0.00 H new ATOM 91 N GLU A 10 68.001 40.637 30.418 1.00 0.00 N ATOM 92 CA GLU A 10 66.554 40.565 30.256 1.00 0.00 C ATOM 93 C GLU A 10 66.144 40.963 28.841 1.00 0.00 C ATOM 94 O GLU A 10 66.880 41.662 28.144 1.00 0.00 O ATOM 95 CB GLU A 10 65.859 41.471 31.275 1.00 0.00 C ATOM 96 CG GLU A 10 64.488 40.970 31.699 1.00 0.00 C ATOM 97 CD GLU A 10 64.563 39.718 32.551 1.00 0.00 C ATOM 98 OE1 GLU A 10 65.332 39.713 33.534 1.00 0.00 O ATOM 99 OE2 GLU A 10 63.851 38.742 32.233 1.00 0.00 O ATOM 0 H GLU A 10 68.469 41.258 29.758 1.00 0.00 H new ATOM 0 HA GLU A 10 66.246 39.534 30.428 1.00 0.00 H new ATOM 0 HB2 GLU A 10 66.492 41.563 32.158 1.00 0.00 H new ATOM 0 HB3 GLU A 10 65.756 42.470 30.850 1.00 0.00 H new ATOM 0 HG2 GLU A 10 63.975 41.754 32.256 1.00 0.00 H new ATOM 0 HG3 GLU A 10 63.889 40.766 30.811 1.00 0.00 H new ATOM 106 N TYR A 11 64.966 40.514 28.424 1.00 0.00 N ATOM 107 CA TYR A 11 64.459 40.820 27.092 1.00 0.00 C ATOM 108 C TYR A 11 62.935 40.878 27.089 1.00 0.00 C ATOM 109 O TYR A 11 62.289 40.581 28.093 1.00 0.00 O ATOM 110 CB TYR A 11 64.943 39.774 26.086 1.00 0.00 C ATOM 111 CG TYR A 11 66.352 40.014 25.592 1.00 0.00 C ATOM 112 CD1 TYR A 11 66.674 41.166 24.886 1.00 0.00 C ATOM 113 CD2 TYR A 11 67.360 39.089 25.834 1.00 0.00 C ATOM 114 CE1 TYR A 11 67.960 41.389 24.432 1.00 0.00 C ATOM 115 CE2 TYR A 11 68.649 39.304 25.385 1.00 0.00 C ATOM 116 CZ TYR A 11 68.944 40.455 24.685 1.00 0.00 C ATOM 117 OH TYR A 11 70.226 40.674 24.236 1.00 0.00 O ATOM 0 H TYR A 11 64.344 39.936 28.989 1.00 0.00 H new ATOM 0 HA TYR A 11 64.842 41.798 26.801 1.00 0.00 H new ATOM 0 HB2 TYR A 11 64.892 38.788 26.547 1.00 0.00 H new ATOM 0 HB3 TYR A 11 64.265 39.762 25.233 1.00 0.00 H new ATOM 0 HD1 TYR A 11 65.906 41.900 24.689 1.00 0.00 H new ATOM 0 HD2 TYR A 11 67.132 38.187 26.382 1.00 0.00 H new ATOM 0 HE1 TYR A 11 68.194 42.289 23.882 1.00 0.00 H new ATOM 0 HE2 TYR A 11 69.421 38.575 25.581 1.00 0.00 H new ATOM 0 HH TYR A 11 70.797 39.922 24.498 1.00 0.00 H new ATOM 127 N GLY A 12 62.366 41.264 25.951 1.00 0.00 N ATOM 128 CA GLY A 12 60.922 41.354 25.837 1.00 0.00 C ATOM 129 C GLY A 12 60.418 40.904 24.479 1.00 0.00 C ATOM 130 O GLY A 12 61.206 40.680 23.561 1.00 0.00 O ATOM 0 H GLY A 12 62.879 41.516 25.106 1.00 0.00 H new ATOM 0 HA2 GLY A 12 60.461 40.743 26.613 1.00 0.00 H new ATOM 0 HA3 GLY A 12 60.610 42.383 26.014 1.00 0.00 H new ATOM 134 N MET A 13 59.102 40.771 24.353 1.00 0.00 N ATOM 135 CA MET A 13 58.495 40.344 23.098 1.00 0.00 C ATOM 136 C MET A 13 57.189 41.089 22.844 1.00 0.00 C ATOM 137 O MET A 13 56.398 41.332 23.756 1.00 0.00 O ATOM 138 CB MET A 13 58.239 38.835 23.117 1.00 0.00 C ATOM 139 CG MET A 13 59.500 38.003 22.946 1.00 0.00 C ATOM 140 SD MET A 13 59.193 36.234 23.115 1.00 0.00 S ATOM 141 CE MET A 13 60.343 35.815 24.423 1.00 0.00 C ATOM 0 H MET A 13 58.436 40.953 25.104 1.00 0.00 H new ATOM 0 HA MET A 13 59.189 40.578 22.291 1.00 0.00 H new ATOM 0 HB2 MET A 13 57.762 38.567 24.060 1.00 0.00 H new ATOM 0 HB3 MET A 13 57.537 38.584 22.322 1.00 0.00 H new ATOM 0 HG2 MET A 13 59.931 38.201 21.965 1.00 0.00 H new ATOM 0 HG3 MET A 13 60.238 38.312 23.686 1.00 0.00 H new ATOM 0 HE1 MET A 13 60.272 34.750 24.643 1.00 0.00 H new ATOM 0 HE2 MET A 13 61.358 36.053 24.105 1.00 0.00 H new ATOM 0 HE3 MET A 13 60.100 36.387 25.318 1.00 0.00 H new ATOM 151 N PRO A 14 56.955 41.462 21.577 1.00 0.00 N ATOM 152 CA PRO A 14 55.745 42.185 21.175 1.00 0.00 C ATOM 153 C PRO A 14 54.496 41.314 21.253 1.00 0.00 C ATOM 154 O PRO A 14 54.546 40.183 21.736 1.00 0.00 O ATOM 155 CB PRO A 14 56.033 42.580 19.725 1.00 0.00 C ATOM 156 CG PRO A 14 57.015 41.568 19.245 1.00 0.00 C ATOM 157 CD PRO A 14 57.854 41.206 20.440 1.00 0.00 C ATOM 0 HA PRO A 14 55.540 43.033 21.829 1.00 0.00 H new ATOM 0 HB2 PRO A 14 55.124 42.567 19.123 1.00 0.00 H new ATOM 0 HB3 PRO A 14 56.442 43.589 19.663 1.00 0.00 H new ATOM 0 HG2 PRO A 14 56.507 40.691 18.845 1.00 0.00 H new ATOM 0 HG3 PRO A 14 57.632 41.973 18.443 1.00 0.00 H new ATOM 0 HD2 PRO A 14 58.173 40.164 20.406 1.00 0.00 H new ATOM 0 HD3 PRO A 14 58.757 41.814 20.496 1.00 0.00 H new ATOM 165 N SER A 15 53.377 41.847 20.773 1.00 0.00 N ATOM 166 CA SER A 15 52.114 41.119 20.790 1.00 0.00 C ATOM 167 C SER A 15 51.333 41.354 19.501 1.00 0.00 C ATOM 168 O SER A 15 51.409 42.427 18.903 1.00 0.00 O ATOM 169 CB SER A 15 51.272 41.544 21.995 1.00 0.00 C ATOM 170 OG SER A 15 50.855 42.893 21.874 1.00 0.00 O ATOM 0 H SER A 15 53.320 42.781 20.367 1.00 0.00 H new ATOM 0 HA SER A 15 52.338 40.055 20.869 1.00 0.00 H new ATOM 0 HB2 SER A 15 50.399 40.896 22.080 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.851 41.420 22.910 1.00 0.00 H new ATOM 0 HG SER A 15 50.317 43.140 22.655 1.00 0.00 H new ATOM 176 N VAL A 16 50.582 40.342 19.079 1.00 0.00 N ATOM 177 CA VAL A 16 49.785 40.437 17.861 1.00 0.00 C ATOM 178 C VAL A 16 48.584 39.500 17.915 1.00 0.00 C ATOM 179 O VAL A 16 48.716 38.323 18.254 1.00 0.00 O ATOM 180 CB VAL A 16 50.625 40.106 16.613 1.00 0.00 C ATOM 181 CG1 VAL A 16 51.066 38.651 16.637 1.00 0.00 C ATOM 182 CG2 VAL A 16 49.841 40.414 15.347 1.00 0.00 C ATOM 0 H VAL A 16 50.509 39.447 19.562 1.00 0.00 H new ATOM 0 HA VAL A 16 49.435 41.467 17.792 1.00 0.00 H new ATOM 0 HB VAL A 16 51.518 40.731 16.621 1.00 0.00 H new ATOM 0 HG11 VAL A 16 51.658 38.436 15.748 1.00 0.00 H new ATOM 0 HG12 VAL A 16 51.668 38.468 17.527 1.00 0.00 H new ATOM 0 HG13 VAL A 16 50.188 38.005 16.654 1.00 0.00 H new ATOM 0 HG21 VAL A 16 50.449 40.174 14.475 1.00 0.00 H new ATOM 0 HG22 VAL A 16 48.930 39.816 15.329 1.00 0.00 H new ATOM 0 HG23 VAL A 16 49.581 41.472 15.328 1.00 0.00 H new ATOM 192 N THR A 17 47.412 40.028 17.579 1.00 0.00 N ATOM 193 CA THR A 17 46.187 39.239 17.589 1.00 0.00 C ATOM 194 C THR A 17 45.668 39.010 16.174 1.00 0.00 C ATOM 195 O THR A 17 46.006 39.751 15.251 1.00 0.00 O ATOM 196 CB THR A 17 45.086 39.922 18.423 1.00 0.00 C ATOM 197 OG1 THR A 17 43.944 39.064 18.524 1.00 0.00 O ATOM 198 CG2 THR A 17 44.677 41.247 17.798 1.00 0.00 C ATOM 0 H THR A 17 47.285 41.000 17.296 1.00 0.00 H new ATOM 0 HA THR A 17 46.434 38.279 18.042 1.00 0.00 H new ATOM 0 HB THR A 17 45.484 40.116 19.419 1.00 0.00 H new ATOM 0 HG1 THR A 17 43.250 39.505 19.057 1.00 0.00 H new ATOM 0 HG21 THR A 17 43.899 41.710 18.404 1.00 0.00 H new ATOM 0 HG22 THR A 17 45.542 41.909 17.750 1.00 0.00 H new ATOM 0 HG23 THR A 17 44.297 41.073 16.791 1.00 0.00 H new ATOM 464 N PRO A 36 3.263 18.089 -6.929 1.00 0.00 N ATOM 465 CA PRO A 36 2.372 16.927 -6.992 1.00 0.00 C ATOM 466 C PRO A 36 3.139 15.614 -7.101 1.00 0.00 C ATOM 467 O PRO A 36 4.004 15.457 -7.964 1.00 0.00 O ATOM 468 CB PRO A 36 1.553 17.176 -8.261 1.00 0.00 C ATOM 469 CG PRO A 36 2.420 18.043 -9.107 1.00 0.00 C ATOM 470 CD PRO A 36 3.200 18.905 -8.153 1.00 0.00 C ATOM 0 HA PRO A 36 1.767 16.828 -6.091 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.314 16.241 -8.767 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.607 17.666 -8.032 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.087 17.443 -9.725 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.821 18.653 -9.783 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.195 19.131 -8.537 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.703 19.859 -7.975 1.00 0.00 H new ATOM 478 N THR A 37 2.816 14.670 -6.222 1.00 0.00 N ATOM 479 CA THR A 37 3.475 13.370 -6.219 1.00 0.00 C ATOM 480 C THR A 37 2.625 12.321 -6.926 1.00 0.00 C ATOM 481 O THR A 37 1.402 12.300 -6.783 1.00 0.00 O ATOM 482 CB THR A 37 3.771 12.893 -4.785 1.00 0.00 C ATOM 483 OG1 THR A 37 2.547 12.738 -4.058 1.00 0.00 O ATOM 484 CG2 THR A 37 4.674 13.880 -4.061 1.00 0.00 C ATOM 0 H THR A 37 2.101 14.782 -5.503 1.00 0.00 H new ATOM 0 HA THR A 37 4.416 13.492 -6.755 1.00 0.00 H new ATOM 0 HB THR A 37 4.283 11.933 -4.844 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.734 12.749 -3.096 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.869 13.521 -3.050 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.616 13.974 -4.600 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.185 14.853 -4.013 1.00 0.00 H new ATOM 492 N TYR A 38 3.279 11.452 -7.689 1.00 0.00 N ATOM 493 CA TYR A 38 2.581 10.401 -8.420 1.00 0.00 C ATOM 494 C TYR A 38 3.041 9.021 -7.961 1.00 0.00 C ATOM 495 O TYR A 38 2.244 8.216 -7.478 1.00 0.00 O ATOM 496 CB TYR A 38 2.816 10.555 -9.924 1.00 0.00 C ATOM 497 CG TYR A 38 2.229 11.823 -10.502 1.00 0.00 C ATOM 498 CD1 TYR A 38 2.690 13.071 -10.101 1.00 0.00 C ATOM 499 CD2 TYR A 38 1.215 11.773 -11.450 1.00 0.00 C ATOM 500 CE1 TYR A 38 2.157 14.232 -10.626 1.00 0.00 C ATOM 501 CE2 TYR A 38 0.676 12.928 -11.981 1.00 0.00 C ATOM 502 CZ TYR A 38 1.150 14.155 -11.566 1.00 0.00 C ATOM 503 OH TYR A 38 0.616 15.310 -12.092 1.00 0.00 O ATOM 0 H TYR A 38 4.291 11.455 -7.817 1.00 0.00 H new ATOM 0 HA TYR A 38 1.515 10.496 -8.214 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.888 10.539 -10.119 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.385 9.697 -10.440 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.479 13.134 -9.366 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.842 10.814 -11.777 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.526 15.194 -10.303 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.112 12.871 -12.717 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.082 15.082 -12.741 1.00 0.00 H new ATOM 513 N CYS A 39 4.334 8.754 -8.114 1.00 0.00 N ATOM 514 CA CYS A 39 4.903 7.472 -7.716 1.00 0.00 C ATOM 515 C CYS A 39 4.224 6.944 -6.455 1.00 0.00 C ATOM 516 O CYS A 39 3.716 7.715 -5.640 1.00 0.00 O ATOM 517 CB CYS A 39 6.408 7.610 -7.478 1.00 0.00 C ATOM 518 SG CYS A 39 7.288 6.021 -7.341 1.00 0.00 S ATOM 0 H CYS A 39 5.008 9.409 -8.511 1.00 0.00 H new ATOM 0 HA CYS A 39 4.734 6.761 -8.524 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.843 8.185 -8.296 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.570 8.183 -6.565 1.00 0.00 H new ATOM 0 HG CYS A 39 8.570 6.234 -7.338 1.00 0.00 H new ATOM 523 N LEU A 40 4.220 5.624 -6.301 1.00 0.00 N ATOM 524 CA LEU A 40 3.604 4.992 -5.140 1.00 0.00 C ATOM 525 C LEU A 40 4.164 5.570 -3.844 1.00 0.00 C ATOM 526 O LEU A 40 3.420 5.846 -2.903 1.00 0.00 O ATOM 527 CB LEU A 40 3.832 3.480 -5.177 1.00 0.00 C ATOM 528 CG LEU A 40 4.012 2.862 -6.565 1.00 0.00 C ATOM 529 CD1 LEU A 40 5.488 2.711 -6.895 1.00 0.00 C ATOM 530 CD2 LEU A 40 3.306 1.516 -6.645 1.00 0.00 C ATOM 0 H LEU A 40 4.636 4.971 -6.965 1.00 0.00 H new ATOM 0 HA LEU A 40 2.533 5.193 -5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.716 3.251 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.986 2.993 -4.691 1.00 0.00 H new ATOM 0 HG LEU A 40 3.563 3.530 -7.300 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.596 2.270 -7.886 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.966 3.690 -6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.962 2.064 -6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.445 1.091 -7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.726 0.840 -5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.242 1.652 -6.453 1.00 0.00 H new ATOM 542 N CYS A 41 5.479 5.753 -3.804 1.00 0.00 N ATOM 543 CA CYS A 41 6.140 6.301 -2.625 1.00 0.00 C ATOM 544 C CYS A 41 5.528 7.643 -2.233 1.00 0.00 C ATOM 545 O CYS A 41 5.644 8.079 -1.087 1.00 0.00 O ATOM 546 CB CYS A 41 7.638 6.468 -2.885 1.00 0.00 C ATOM 547 SG CYS A 41 8.039 7.721 -4.145 1.00 0.00 S ATOM 0 H CYS A 41 6.109 5.530 -4.575 1.00 0.00 H new ATOM 0 HA CYS A 41 5.997 5.601 -1.801 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.130 6.737 -1.951 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.051 5.509 -3.198 1.00 0.00 H new ATOM 0 HG CYS A 41 7.936 7.194 -5.329 1.00 0.00 H new ATOM 552 N HIS A 42 4.875 8.292 -3.191 1.00 0.00 N ATOM 553 CA HIS A 42 4.244 9.584 -2.946 1.00 0.00 C ATOM 554 C HIS A 42 5.289 10.693 -2.864 1.00 0.00 C ATOM 555 O HIS A 42 5.270 11.508 -1.942 1.00 0.00 O ATOM 556 CB HIS A 42 3.427 9.540 -1.655 1.00 0.00 C ATOM 557 CG HIS A 42 2.239 10.452 -1.665 1.00 0.00 C ATOM 558 ND1 HIS A 42 2.100 11.516 -0.800 1.00 0.00 N ATOM 559 CD2 HIS A 42 1.133 10.455 -2.444 1.00 0.00 C ATOM 560 CE1 HIS A 42 0.958 12.133 -1.045 1.00 0.00 C ATOM 561 NE2 HIS A 42 0.352 11.509 -2.039 1.00 0.00 N ATOM 0 H HIS A 42 4.769 7.945 -4.144 1.00 0.00 H new ATOM 0 HA HIS A 42 3.577 9.799 -3.781 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.088 8.518 -1.484 1.00 0.00 H new ATOM 0 HB3 HIS A 42 4.072 9.806 -0.818 1.00 0.00 H new ATOM 0 HD2 HIS A 42 0.906 9.758 -3.237 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.583 13.000 -0.522 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -0.549 11.768 -2.440 1.00 0.00 H new ATOM 570 N GLN A 43 6.200 10.714 -3.832 1.00 0.00 N ATOM 571 CA GLN A 43 7.253 11.722 -3.866 1.00 0.00 C ATOM 572 C GLN A 43 7.069 12.661 -5.054 1.00 0.00 C ATOM 573 O GLN A 43 6.354 12.344 -6.004 1.00 0.00 O ATOM 574 CB GLN A 43 8.626 11.052 -3.939 1.00 0.00 C ATOM 575 CG GLN A 43 9.120 10.531 -2.599 1.00 0.00 C ATOM 576 CD GLN A 43 8.809 11.475 -1.454 1.00 0.00 C ATOM 577 OE1 GLN A 43 9.332 12.588 -1.393 1.00 0.00 O ATOM 578 NE2 GLN A 43 7.953 11.035 -0.540 1.00 0.00 N ATOM 0 H GLN A 43 6.230 10.046 -4.602 1.00 0.00 H new ATOM 0 HA GLN A 43 7.190 12.308 -2.949 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.580 10.224 -4.647 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.350 11.767 -4.331 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.663 9.562 -2.400 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.197 10.371 -2.651 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.543 10.105 -0.631 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.705 11.627 0.253 1.00 0.00 H new ATOM 587 N VAL A 44 7.720 13.818 -4.993 1.00 0.00 N ATOM 588 CA VAL A 44 7.629 14.804 -6.064 1.00 0.00 C ATOM 589 C VAL A 44 8.428 14.364 -7.285 1.00 0.00 C ATOM 590 O VAL A 44 9.647 14.209 -7.219 1.00 0.00 O ATOM 591 CB VAL A 44 8.136 16.183 -5.602 1.00 0.00 C ATOM 592 CG1 VAL A 44 7.253 16.733 -4.493 1.00 0.00 C ATOM 593 CG2 VAL A 44 9.585 16.092 -5.146 1.00 0.00 C ATOM 0 H VAL A 44 8.316 14.096 -4.213 1.00 0.00 H new ATOM 0 HA VAL A 44 6.576 14.884 -6.332 1.00 0.00 H new ATOM 0 HB VAL A 44 8.087 16.870 -6.446 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.627 17.708 -4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.232 16.837 -4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.267 16.049 -3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.927 17.075 -4.823 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.662 15.390 -4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.205 15.745 -5.972 1.00 0.00 H new ATOM 603 N SER A 45 7.732 14.164 -8.400 1.00 0.00 N ATOM 604 CA SER A 45 8.376 13.738 -9.637 1.00 0.00 C ATOM 605 C SER A 45 9.486 14.707 -10.033 1.00 0.00 C ATOM 606 O SER A 45 9.311 15.925 -9.980 1.00 0.00 O ATOM 607 CB SER A 45 7.347 13.636 -10.764 1.00 0.00 C ATOM 608 OG SER A 45 6.985 14.920 -11.243 1.00 0.00 O ATOM 0 H SER A 45 6.722 14.290 -8.472 1.00 0.00 H new ATOM 0 HA SER A 45 8.818 12.756 -9.468 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.756 13.042 -11.581 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.460 13.115 -10.404 1.00 0.00 H new ATOM 0 HG SER A 45 6.328 14.827 -11.964 1.00 0.00 H new ATOM 614 N TYR A 46 10.628 14.158 -10.431 1.00 0.00 N ATOM 615 CA TYR A 46 11.768 14.972 -10.834 1.00 0.00 C ATOM 616 C TYR A 46 12.133 14.715 -12.293 1.00 0.00 C ATOM 617 O TYR A 46 12.175 15.637 -13.107 1.00 0.00 O ATOM 618 CB TYR A 46 12.973 14.681 -9.937 1.00 0.00 C ATOM 619 CG TYR A 46 12.894 13.345 -9.233 1.00 0.00 C ATOM 620 CD1 TYR A 46 12.254 13.220 -8.007 1.00 0.00 C ATOM 621 CD2 TYR A 46 13.461 12.207 -9.795 1.00 0.00 C ATOM 622 CE1 TYR A 46 12.181 12.001 -7.360 1.00 0.00 C ATOM 623 CE2 TYR A 46 13.391 10.985 -9.157 1.00 0.00 C ATOM 624 CZ TYR A 46 12.751 10.887 -7.939 1.00 0.00 C ATOM 625 OH TYR A 46 12.679 9.671 -7.299 1.00 0.00 O ATOM 0 H TYR A 46 10.789 13.152 -10.483 1.00 0.00 H new ATOM 0 HA TYR A 46 11.488 16.020 -10.727 1.00 0.00 H new ATOM 0 HB2 TYR A 46 13.880 14.711 -10.540 1.00 0.00 H new ATOM 0 HB3 TYR A 46 13.059 15.471 -9.191 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.806 14.090 -7.551 1.00 0.00 H new ATOM 0 HD2 TYR A 46 13.965 12.280 -10.747 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.680 11.921 -6.406 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.835 10.110 -9.609 1.00 0.00 H new ATOM 0 HH TYR A 46 13.129 8.989 -7.841 1.00 0.00 H new ATOM 635 N GLY A 47 12.396 13.452 -12.617 1.00 0.00 N ATOM 636 CA GLY A 47 12.753 13.094 -13.977 1.00 0.00 C ATOM 637 C GLY A 47 12.735 11.596 -14.206 1.00 0.00 C ATOM 638 O GLY A 47 12.139 11.117 -15.170 1.00 0.00 O ATOM 0 H GLY A 47 12.368 12.671 -11.962 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.060 13.573 -14.669 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.747 13.481 -14.202 1.00 0.00 H new ATOM 642 N GLU A 48 13.389 10.854 -13.318 1.00 0.00 N ATOM 643 CA GLU A 48 13.447 9.402 -13.430 1.00 0.00 C ATOM 644 C GLU A 48 12.045 8.799 -13.412 1.00 0.00 C ATOM 645 O GLU A 48 11.455 8.607 -12.349 1.00 0.00 O ATOM 646 CB GLU A 48 14.282 8.812 -12.292 1.00 0.00 C ATOM 647 CG GLU A 48 15.757 9.168 -12.372 1.00 0.00 C ATOM 648 CD GLU A 48 16.564 8.574 -11.234 1.00 0.00 C ATOM 649 OE1 GLU A 48 16.373 7.377 -10.933 1.00 0.00 O ATOM 650 OE2 GLU A 48 17.386 9.306 -10.644 1.00 0.00 O ATOM 0 H GLU A 48 13.886 11.235 -12.513 1.00 0.00 H new ATOM 0 HA GLU A 48 13.918 9.156 -14.381 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.883 9.163 -11.340 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.178 7.727 -12.301 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.161 8.816 -13.321 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.866 10.252 -12.362 1.00 0.00 H new ATOM 657 N MET A 49 11.519 8.502 -14.596 1.00 0.00 N ATOM 658 CA MET A 49 10.188 7.921 -14.716 1.00 0.00 C ATOM 659 C MET A 49 10.078 7.069 -15.977 1.00 0.00 C ATOM 660 O MET A 49 10.858 7.231 -16.916 1.00 0.00 O ATOM 661 CB MET A 49 9.126 9.022 -14.737 1.00 0.00 C ATOM 662 CG MET A 49 9.178 9.939 -13.525 1.00 0.00 C ATOM 663 SD MET A 49 7.729 11.004 -13.397 1.00 0.00 S ATOM 664 CE MET A 49 6.772 10.126 -12.164 1.00 0.00 C ATOM 0 H MET A 49 11.995 8.654 -15.485 1.00 0.00 H new ATOM 0 HA MET A 49 10.020 7.281 -13.850 1.00 0.00 H new ATOM 0 HB2 MET A 49 9.251 9.619 -15.640 1.00 0.00 H new ATOM 0 HB3 MET A 49 8.139 8.563 -14.793 1.00 0.00 H new ATOM 0 HG2 MET A 49 9.262 9.336 -12.621 1.00 0.00 H new ATOM 0 HG3 MET A 49 10.074 10.557 -13.580 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.819 10.633 -12.014 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.591 9.106 -12.503 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.323 10.104 -11.224 1.00 0.00 H new ATOM 674 N ILE A 50 9.107 6.163 -15.991 1.00 0.00 N ATOM 675 CA ILE A 50 8.896 5.287 -17.137 1.00 0.00 C ATOM 676 C ILE A 50 7.446 5.335 -17.606 1.00 0.00 C ATOM 677 O ILE A 50 7.154 5.113 -18.780 1.00 0.00 O ATOM 678 CB ILE A 50 9.270 3.830 -16.809 1.00 0.00 C ATOM 679 CG1 ILE A 50 8.231 3.212 -15.871 1.00 0.00 C ATOM 680 CG2 ILE A 50 10.657 3.767 -16.186 1.00 0.00 C ATOM 681 CD1 ILE A 50 8.470 3.530 -14.411 1.00 0.00 C ATOM 0 H ILE A 50 8.454 6.016 -15.222 1.00 0.00 H new ATOM 0 HA ILE A 50 9.545 5.649 -17.934 1.00 0.00 H new ATOM 0 HB ILE A 50 9.282 3.256 -17.736 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.240 3.568 -16.155 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.231 2.130 -16.004 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.907 2.731 -15.960 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.389 4.173 -16.885 1.00 0.00 H new ATOM 0 HG23 ILE A 50 10.670 4.353 -15.267 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.696 3.060 -13.805 1.00 0.00 H new ATOM 0 HD12 ILE A 50 9.447 3.150 -14.111 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.440 4.610 -14.264 1.00 0.00 H new ATOM 693 N GLY A 51 6.539 5.627 -16.678 1.00 0.00 N ATOM 694 CA GLY A 51 5.129 5.700 -17.016 1.00 0.00 C ATOM 695 C GLY A 51 4.544 4.344 -17.356 1.00 0.00 C ATOM 696 O GLY A 51 5.128 3.582 -18.127 1.00 0.00 O ATOM 0 H GLY A 51 6.755 5.814 -15.699 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.579 6.130 -16.178 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.996 6.373 -17.863 1.00 0.00 H new ATOM 700 N CYS A 52 3.386 4.040 -16.779 1.00 0.00 N ATOM 701 CA CYS A 52 2.721 2.765 -17.023 1.00 0.00 C ATOM 702 C CYS A 52 2.007 2.774 -18.372 1.00 0.00 C ATOM 703 O CYS A 52 1.237 3.686 -18.673 1.00 0.00 O ATOM 704 CB CYS A 52 1.719 2.467 -15.906 1.00 0.00 C ATOM 705 SG CYS A 52 0.999 0.795 -15.980 1.00 0.00 S ATOM 0 H CYS A 52 2.889 4.659 -16.139 1.00 0.00 H new ATOM 0 HA CYS A 52 3.481 1.984 -17.038 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.215 2.595 -14.944 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.914 3.200 -15.950 1.00 0.00 H new ATOM 0 HG CYS A 52 1.034 0.255 -14.798 1.00 0.00 H new ATOM 710 N ASP A 53 2.269 1.752 -19.179 1.00 0.00 N ATOM 711 CA ASP A 53 1.651 1.640 -20.496 1.00 0.00 C ATOM 712 C ASP A 53 0.131 1.610 -20.382 1.00 0.00 C ATOM 713 O ASP A 53 -0.579 2.035 -21.292 1.00 0.00 O ATOM 714 CB ASP A 53 2.147 0.381 -21.210 1.00 0.00 C ATOM 715 CG ASP A 53 1.578 0.248 -22.609 1.00 0.00 C ATOM 716 OD1 ASP A 53 0.443 -0.257 -22.743 1.00 0.00 O ATOM 717 OD2 ASP A 53 2.267 0.649 -23.570 1.00 0.00 O ATOM 0 H ASP A 53 2.905 0.989 -18.945 1.00 0.00 H new ATOM 0 HA ASP A 53 1.936 2.515 -21.080 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.235 0.402 -21.264 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.874 -0.497 -20.625 1.00 0.00 H new ATOM 722 N ASN A 54 -0.363 1.103 -19.257 1.00 0.00 N ATOM 723 CA ASN A 54 -1.800 1.015 -19.024 1.00 0.00 C ATOM 724 C ASN A 54 -2.413 2.405 -18.875 1.00 0.00 C ATOM 725 O ASN A 54 -2.059 3.174 -17.982 1.00 0.00 O ATOM 726 CB ASN A 54 -2.086 0.183 -17.772 1.00 0.00 C ATOM 727 CG ASN A 54 -3.569 -0.045 -17.555 1.00 0.00 C ATOM 728 OD1 ASN A 54 -4.335 -0.174 -18.511 1.00 0.00 O ATOM 729 ND2 ASN A 54 -3.982 -0.096 -16.294 1.00 0.00 N ATOM 0 H ASN A 54 0.211 0.747 -18.492 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.253 0.527 -19.887 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.582 -0.780 -17.856 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.668 0.687 -16.901 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.969 -0.247 -16.086 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.312 0.016 -15.533 1.00 0.00 H new ATOM 736 N PRO A 55 -3.355 2.735 -19.771 1.00 0.00 N ATOM 737 CA PRO A 55 -4.038 4.032 -19.760 1.00 0.00 C ATOM 738 C PRO A 55 -4.979 4.182 -18.569 1.00 0.00 C ATOM 739 O PRO A 55 -5.208 5.289 -18.082 1.00 0.00 O ATOM 740 CB PRO A 55 -4.830 4.027 -21.069 1.00 0.00 C ATOM 741 CG PRO A 55 -5.044 2.585 -21.378 1.00 0.00 C ATOM 742 CD PRO A 55 -3.827 1.867 -20.863 1.00 0.00 C ATOM 0 HA PRO A 55 -3.336 4.861 -19.674 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.778 4.553 -20.960 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.279 4.525 -21.867 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.949 2.213 -20.898 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -5.165 2.429 -22.450 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.072 0.867 -20.504 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.071 1.751 -21.639 1.00 0.00 H new ATOM 750 N ASP A 56 -5.520 3.061 -18.104 1.00 0.00 N ATOM 751 CA ASP A 56 -6.435 3.068 -16.969 1.00 0.00 C ATOM 752 C ASP A 56 -5.701 3.432 -15.682 1.00 0.00 C ATOM 753 O ASP A 56 -6.246 4.119 -14.817 1.00 0.00 O ATOM 754 CB ASP A 56 -7.105 1.701 -16.819 1.00 0.00 C ATOM 755 CG ASP A 56 -7.655 1.179 -18.132 1.00 0.00 C ATOM 756 OD1 ASP A 56 -8.587 1.806 -18.677 1.00 0.00 O ATOM 757 OD2 ASP A 56 -7.151 0.143 -18.614 1.00 0.00 O ATOM 0 H ASP A 56 -5.341 2.136 -18.496 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.201 3.821 -17.155 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.383 0.987 -16.421 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.914 1.774 -16.093 1.00 0.00 H new ATOM 762 N CYS A 57 -4.463 2.966 -15.561 1.00 0.00 N ATOM 763 CA CYS A 57 -3.654 3.241 -14.379 1.00 0.00 C ATOM 764 C CYS A 57 -3.762 4.709 -13.975 1.00 0.00 C ATOM 765 O CYS A 57 -3.469 5.605 -14.768 1.00 0.00 O ATOM 766 CB CYS A 57 -2.191 2.879 -14.642 1.00 0.00 C ATOM 767 SG CYS A 57 -1.280 2.341 -13.159 1.00 0.00 S ATOM 0 H CYS A 57 -3.997 2.396 -16.267 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.032 2.629 -13.560 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.153 2.084 -15.387 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.686 3.744 -15.072 1.00 0.00 H new ATOM 0 HG CYS A 57 -0.054 2.055 -13.483 1.00 0.00 H new ATOM 772 N SER A 58 -4.183 4.947 -12.738 1.00 0.00 N ATOM 773 CA SER A 58 -4.333 6.305 -12.229 1.00 0.00 C ATOM 774 C SER A 58 -2.972 6.964 -12.028 1.00 0.00 C ATOM 775 O SER A 58 -2.757 8.107 -12.433 1.00 0.00 O ATOM 776 CB SER A 58 -5.108 6.296 -10.910 1.00 0.00 C ATOM 777 OG SER A 58 -5.700 7.558 -10.657 1.00 0.00 O ATOM 0 H SER A 58 -4.427 4.217 -12.069 1.00 0.00 H new ATOM 0 HA SER A 58 -4.891 6.882 -12.966 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.881 5.529 -10.944 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.436 6.035 -10.092 1.00 0.00 H new ATOM 0 HG SER A 58 -6.191 7.525 -9.809 1.00 0.00 H new ATOM 783 N ILE A 59 -2.056 6.234 -11.401 1.00 0.00 N ATOM 784 CA ILE A 59 -0.715 6.746 -11.147 1.00 0.00 C ATOM 785 C ILE A 59 0.099 6.819 -12.435 1.00 0.00 C ATOM 786 O ILE A 59 0.660 7.862 -12.767 1.00 0.00 O ATOM 787 CB ILE A 59 0.038 5.872 -10.126 1.00 0.00 C ATOM 788 CG1 ILE A 59 -0.773 5.746 -8.835 1.00 0.00 C ATOM 789 CG2 ILE A 59 1.413 6.456 -9.840 1.00 0.00 C ATOM 790 CD1 ILE A 59 -0.237 4.697 -7.885 1.00 0.00 C ATOM 0 H ILE A 59 -2.218 5.287 -11.060 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.833 7.749 -10.737 1.00 0.00 H new ATOM 0 HB ILE A 59 0.170 4.876 -10.549 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.786 6.711 -8.328 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.806 5.504 -9.086 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.932 5.827 -9.117 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.990 6.499 -10.764 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.304 7.462 -9.434 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.861 4.663 -6.992 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.249 3.723 -8.374 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.786 4.949 -7.604 1.00 0.00 H new ATOM 802 N GLU A 60 0.156 5.703 -13.156 1.00 0.00 N ATOM 803 CA GLU A 60 0.900 5.642 -14.408 1.00 0.00 C ATOM 804 C GLU A 60 2.148 6.518 -14.343 1.00 0.00 C ATOM 805 O GLU A 60 2.516 7.166 -15.323 1.00 0.00 O ATOM 806 CB GLU A 60 0.015 6.082 -15.576 1.00 0.00 C ATOM 807 CG GLU A 60 -0.342 7.558 -15.546 1.00 0.00 C ATOM 808 CD GLU A 60 -1.492 7.899 -16.474 1.00 0.00 C ATOM 809 OE1 GLU A 60 -1.475 7.439 -17.635 1.00 0.00 O ATOM 810 OE2 GLU A 60 -2.409 8.627 -16.039 1.00 0.00 O ATOM 0 H GLU A 60 -0.303 4.831 -12.895 1.00 0.00 H new ATOM 0 HA GLU A 60 1.210 4.609 -14.566 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.527 5.859 -16.512 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.903 5.494 -15.567 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.605 7.844 -14.528 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.532 8.145 -15.826 1.00 0.00 H new ATOM 817 N TRP A 61 2.793 6.532 -13.183 1.00 0.00 N ATOM 818 CA TRP A 61 4.000 7.330 -12.989 1.00 0.00 C ATOM 819 C TRP A 61 4.775 6.855 -11.765 1.00 0.00 C ATOM 820 O TRP A 61 4.243 6.824 -10.655 1.00 0.00 O ATOM 821 CB TRP A 61 3.639 8.808 -12.838 1.00 0.00 C ATOM 822 CG TRP A 61 3.350 9.485 -14.143 1.00 0.00 C ATOM 823 CD1 TRP A 61 2.136 9.930 -14.585 1.00 0.00 C ATOM 824 CD2 TRP A 61 4.292 9.792 -15.177 1.00 0.00 C ATOM 825 NE1 TRP A 61 2.267 10.495 -15.830 1.00 0.00 N ATOM 826 CE2 TRP A 61 3.580 10.424 -16.216 1.00 0.00 C ATOM 827 CE3 TRP A 61 5.668 9.597 -15.326 1.00 0.00 C ATOM 828 CZ2 TRP A 61 4.198 10.859 -17.385 1.00 0.00 C ATOM 829 CZ3 TRP A 61 6.280 10.029 -16.487 1.00 0.00 C ATOM 830 CH2 TRP A 61 5.546 10.655 -17.503 1.00 0.00 C ATOM 0 H TRP A 61 2.502 6.001 -12.362 1.00 0.00 H new ATOM 0 HA TRP A 61 4.634 7.206 -13.867 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.767 8.897 -12.190 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.460 9.326 -12.342 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.209 9.849 -14.036 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.509 10.902 -16.379 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.243 9.117 -14.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.634 11.340 -18.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.342 9.882 -16.613 1.00 0.00 H new ATOM 0 HH2 TRP A 61 6.054 10.983 -18.398 1.00 0.00 H new ATOM 841 N PHE A 62 6.034 6.486 -11.974 1.00 0.00 N ATOM 842 CA PHE A 62 6.883 6.012 -10.887 1.00 0.00 C ATOM 843 C PHE A 62 8.344 6.372 -11.140 1.00 0.00 C ATOM 844 O PHE A 62 8.667 7.057 -12.111 1.00 0.00 O ATOM 845 CB PHE A 62 6.740 4.497 -10.723 1.00 0.00 C ATOM 846 CG PHE A 62 5.319 4.017 -10.803 1.00 0.00 C ATOM 847 CD1 PHE A 62 4.464 4.161 -9.722 1.00 0.00 C ATOM 848 CD2 PHE A 62 4.838 3.423 -11.958 1.00 0.00 C ATOM 849 CE1 PHE A 62 3.156 3.719 -9.793 1.00 0.00 C ATOM 850 CE2 PHE A 62 3.531 2.980 -12.035 1.00 0.00 C ATOM 851 CZ PHE A 62 2.689 3.129 -10.951 1.00 0.00 C ATOM 0 H PHE A 62 6.489 6.506 -12.886 1.00 0.00 H new ATOM 0 HA PHE A 62 6.561 6.502 -9.968 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.327 3.999 -11.494 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.161 4.202 -9.762 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.823 4.623 -8.815 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.492 3.304 -12.809 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.500 3.835 -8.943 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.169 2.518 -12.942 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.667 2.785 -11.009 1.00 0.00 H new ATOM 861 N HIS A 63 9.223 5.905 -10.260 1.00 0.00 N ATOM 862 CA HIS A 63 10.651 6.178 -10.387 1.00 0.00 C ATOM 863 C HIS A 63 11.426 4.893 -10.665 1.00 0.00 C ATOM 864 O HIS A 63 10.844 3.811 -10.752 1.00 0.00 O ATOM 865 CB HIS A 63 11.180 6.842 -9.116 1.00 0.00 C ATOM 866 CG HIS A 63 10.472 8.114 -8.766 1.00 0.00 C ATOM 867 ND1 HIS A 63 9.890 8.337 -7.536 1.00 0.00 N ATOM 868 CD2 HIS A 63 10.256 9.236 -9.492 1.00 0.00 C ATOM 869 CE1 HIS A 63 9.345 9.541 -7.521 1.00 0.00 C ATOM 870 NE2 HIS A 63 9.554 10.107 -8.696 1.00 0.00 N ATOM 0 H HIS A 63 8.973 5.336 -9.451 1.00 0.00 H new ATOM 0 HA HIS A 63 10.793 6.857 -11.228 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.086 6.143 -8.285 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.243 7.050 -9.240 1.00 0.00 H new ATOM 0 HD1 HIS A 63 9.881 7.676 -6.759 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.576 9.413 -10.508 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.819 9.986 -6.690 1.00 0.00 H new ATOM 878 N PHE A 64 12.741 5.020 -10.805 1.00 0.00 N ATOM 879 CA PHE A 64 13.596 3.870 -11.075 1.00 0.00 C ATOM 880 C PHE A 64 14.095 3.246 -9.775 1.00 0.00 C ATOM 881 O PHE A 64 14.211 2.026 -9.664 1.00 0.00 O ATOM 882 CB PHE A 64 14.785 4.284 -11.944 1.00 0.00 C ATOM 883 CG PHE A 64 14.386 4.990 -13.209 1.00 0.00 C ATOM 884 CD1 PHE A 64 13.064 5.001 -13.624 1.00 0.00 C ATOM 885 CD2 PHE A 64 15.333 5.641 -13.983 1.00 0.00 C ATOM 886 CE1 PHE A 64 12.693 5.649 -14.787 1.00 0.00 C ATOM 887 CE2 PHE A 64 14.968 6.292 -15.146 1.00 0.00 C ATOM 888 CZ PHE A 64 13.647 6.295 -15.550 1.00 0.00 C ATOM 0 H PHE A 64 13.238 5.908 -10.736 1.00 0.00 H new ATOM 0 HA PHE A 64 13.005 3.127 -11.611 1.00 0.00 H new ATOM 0 HB2 PHE A 64 15.439 4.936 -11.364 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.364 3.397 -12.200 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.315 4.497 -13.032 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.368 5.640 -13.674 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.659 5.650 -15.099 1.00 0.00 H new ATOM 0 HE2 PHE A 64 15.715 6.798 -15.739 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.360 6.801 -16.460 1.00 0.00 H new ATOM 898 N ALA A 65 14.390 4.093 -8.794 1.00 0.00 N ATOM 899 CA ALA A 65 14.875 3.626 -7.501 1.00 0.00 C ATOM 900 C ALA A 65 13.722 3.170 -6.614 1.00 0.00 C ATOM 901 O ALA A 65 13.869 3.059 -5.396 1.00 0.00 O ATOM 902 CB ALA A 65 15.674 4.722 -6.811 1.00 0.00 C ATOM 0 H ALA A 65 14.302 5.106 -8.870 1.00 0.00 H new ATOM 0 HA ALA A 65 15.527 2.769 -7.672 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.030 4.360 -5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.526 4.997 -7.433 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.039 5.595 -6.659 1.00 0.00 H new ATOM 908 N CYS A 66 12.575 2.908 -7.231 1.00 0.00 N ATOM 909 CA CYS A 66 11.395 2.466 -6.498 1.00 0.00 C ATOM 910 C CYS A 66 10.903 1.119 -7.021 1.00 0.00 C ATOM 911 O CYS A 66 10.206 0.385 -6.320 1.00 0.00 O ATOM 912 CB CYS A 66 10.280 3.507 -6.608 1.00 0.00 C ATOM 913 SG CYS A 66 10.493 4.944 -5.509 1.00 0.00 S ATOM 0 H CYS A 66 12.438 2.994 -8.238 1.00 0.00 H new ATOM 0 HA CYS A 66 11.671 2.350 -5.450 1.00 0.00 H new ATOM 0 HB2 CYS A 66 10.224 3.857 -7.639 1.00 0.00 H new ATOM 0 HB3 CYS A 66 9.327 3.028 -6.382 1.00 0.00 H new ATOM 0 HG CYS A 66 9.327 5.415 -5.179 1.00 0.00 H new ATOM 918 N VAL A 67 11.270 0.802 -8.258 1.00 0.00 N ATOM 919 CA VAL A 67 10.868 -0.456 -8.876 1.00 0.00 C ATOM 920 C VAL A 67 12.051 -1.140 -9.553 1.00 0.00 C ATOM 921 O VAL A 67 11.897 -2.177 -10.195 1.00 0.00 O ATOM 922 CB VAL A 67 9.751 -0.240 -9.915 1.00 0.00 C ATOM 923 CG1 VAL A 67 8.542 0.421 -9.270 1.00 0.00 C ATOM 924 CG2 VAL A 67 10.263 0.591 -11.082 1.00 0.00 C ATOM 0 H VAL A 67 11.845 1.399 -8.852 1.00 0.00 H new ATOM 0 HA VAL A 67 10.492 -1.094 -8.076 1.00 0.00 H new ATOM 0 HB VAL A 67 9.442 -1.213 -10.298 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.764 0.566 -10.019 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.163 -0.215 -8.471 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.832 1.387 -8.858 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.461 0.734 -11.806 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.600 1.561 -10.717 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.095 0.074 -11.559 1.00 0.00 H new ATOM 934 N GLY A 68 13.233 -0.550 -9.403 1.00 0.00 N ATOM 935 CA GLY A 68 14.426 -1.116 -10.005 1.00 0.00 C ATOM 936 C GLY A 68 14.421 -1.004 -11.517 1.00 0.00 C ATOM 937 O GLY A 68 14.127 -1.974 -12.217 1.00 0.00 O ATOM 0 H GLY A 68 13.386 0.310 -8.875 1.00 0.00 H new ATOM 0 HA2 GLY A 68 15.305 -0.608 -9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.510 -2.165 -9.722 1.00 0.00 H new ATOM 941 N LEU A 69 14.746 0.180 -12.022 1.00 0.00 N ATOM 942 CA LEU A 69 14.776 0.416 -13.461 1.00 0.00 C ATOM 943 C LEU A 69 16.034 1.180 -13.862 1.00 0.00 C ATOM 944 O LEU A 69 16.001 2.396 -14.054 1.00 0.00 O ATOM 945 CB LEU A 69 13.533 1.193 -13.897 1.00 0.00 C ATOM 946 CG LEU A 69 12.263 0.367 -14.104 1.00 0.00 C ATOM 947 CD1 LEU A 69 11.030 1.190 -13.767 1.00 0.00 C ATOM 948 CD2 LEU A 69 12.188 -0.147 -15.535 1.00 0.00 C ATOM 0 H LEU A 69 14.993 0.992 -11.456 1.00 0.00 H new ATOM 0 HA LEU A 69 14.786 -0.552 -13.962 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.327 1.958 -13.149 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.761 1.711 -14.828 1.00 0.00 H new ATOM 0 HG LEU A 69 12.297 -0.491 -13.432 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.136 0.586 -13.920 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.079 1.508 -12.726 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.990 2.067 -14.413 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.278 -0.733 -15.664 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.177 0.697 -16.225 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.055 -0.774 -15.742 1.00 0.00 H new ATOM 960 N THR A 70 17.144 0.459 -13.988 1.00 0.00 N ATOM 961 CA THR A 70 18.412 1.068 -14.366 1.00 0.00 C ATOM 962 C THR A 70 18.195 2.268 -15.281 1.00 0.00 C ATOM 963 O THR A 70 18.689 3.364 -15.014 1.00 0.00 O ATOM 964 CB THR A 70 19.332 0.057 -15.076 1.00 0.00 C ATOM 965 OG1 THR A 70 19.616 -1.043 -14.203 1.00 0.00 O ATOM 966 CG2 THR A 70 20.632 0.718 -15.508 1.00 0.00 C ATOM 0 H THR A 70 17.190 -0.548 -13.833 1.00 0.00 H new ATOM 0 HA THR A 70 18.890 1.399 -13.444 1.00 0.00 H new ATOM 0 HB THR A 70 18.817 -0.308 -15.965 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.200 -1.682 -14.662 1.00 0.00 H new ATOM 0 HG21 THR A 70 21.265 -0.016 -16.007 1.00 0.00 H new ATOM 0 HG22 THR A 70 20.414 1.536 -16.195 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.150 1.108 -14.632 1.00 0.00 H new ATOM 974 N THR A 71 17.451 2.056 -16.362 1.00 0.00 N ATOM 975 CA THR A 71 17.168 3.120 -17.317 1.00 0.00 C ATOM 976 C THR A 71 15.765 2.981 -17.895 1.00 0.00 C ATOM 977 O THR A 71 15.131 1.933 -17.770 1.00 0.00 O ATOM 978 CB THR A 71 18.189 3.125 -18.471 1.00 0.00 C ATOM 979 OG1 THR A 71 18.160 1.868 -19.156 1.00 0.00 O ATOM 980 CG2 THR A 71 19.593 3.393 -17.951 1.00 0.00 C ATOM 0 H THR A 71 17.033 1.156 -16.598 1.00 0.00 H new ATOM 0 HA THR A 71 17.242 4.061 -16.773 1.00 0.00 H new ATOM 0 HB THR A 71 17.917 3.922 -19.163 1.00 0.00 H new ATOM 0 HG1 THR A 71 18.810 1.880 -19.889 1.00 0.00 H new ATOM 0 HG21 THR A 71 20.296 3.392 -18.784 1.00 0.00 H new ATOM 0 HG22 THR A 71 19.619 4.364 -17.456 1.00 0.00 H new ATOM 0 HG23 THR A 71 19.872 2.616 -17.240 1.00 0.00 H new ATOM 988 N LYS A 72 15.284 4.044 -18.531 1.00 0.00 N ATOM 989 CA LYS A 72 13.955 4.041 -19.131 1.00 0.00 C ATOM 990 C LYS A 72 13.831 2.932 -20.171 1.00 0.00 C ATOM 991 O LYS A 72 14.425 2.988 -21.248 1.00 0.00 O ATOM 992 CB LYS A 72 13.663 5.397 -19.779 1.00 0.00 C ATOM 993 CG LYS A 72 12.188 5.763 -19.784 1.00 0.00 C ATOM 994 CD LYS A 72 11.972 7.200 -20.227 1.00 0.00 C ATOM 995 CE LYS A 72 10.506 7.596 -20.139 1.00 0.00 C ATOM 996 NZ LYS A 72 10.245 8.905 -20.798 1.00 0.00 N ATOM 0 H LYS A 72 15.795 4.919 -18.644 1.00 0.00 H new ATOM 0 HA LYS A 72 13.227 3.858 -18.341 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.219 6.171 -19.250 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.030 5.387 -20.805 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.648 5.091 -20.450 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.774 5.623 -18.785 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.568 7.867 -19.605 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.322 7.322 -21.252 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.893 6.825 -20.606 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.207 7.650 -19.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.235 9.139 -20.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.811 9.645 -20.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.507 8.846 -21.803 1.00 0.00 H new ATOM 1010 N PRO A 73 13.039 1.900 -19.845 1.00 0.00 N ATOM 1011 CA PRO A 73 12.816 0.759 -20.738 1.00 0.00 C ATOM 1012 C PRO A 73 11.987 1.135 -21.962 1.00 0.00 C ATOM 1013 O PRO A 73 12.110 0.517 -23.020 1.00 0.00 O ATOM 1014 CB PRO A 73 12.052 -0.235 -19.860 1.00 0.00 C ATOM 1015 CG PRO A 73 11.377 0.606 -18.833 1.00 0.00 C ATOM 1016 CD PRO A 73 12.299 1.767 -18.578 1.00 0.00 C ATOM 0 HA PRO A 73 13.751 0.365 -21.137 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.328 -0.804 -20.444 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.727 -0.956 -19.399 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.405 0.950 -19.187 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.201 0.039 -17.919 1.00 0.00 H new ATOM 0 HD2 PRO A 73 11.745 2.675 -18.339 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.968 1.572 -17.740 1.00 0.00 H new ATOM 1024 N ARG A 74 11.144 2.151 -21.811 1.00 0.00 N ATOM 1025 CA ARG A 74 10.295 2.608 -22.905 1.00 0.00 C ATOM 1026 C ARG A 74 9.947 1.455 -23.841 1.00 0.00 C ATOM 1027 O ARG A 74 9.900 1.623 -25.059 1.00 0.00 O ATOM 1028 CB ARG A 74 10.991 3.722 -23.688 1.00 0.00 C ATOM 1029 CG ARG A 74 12.494 3.530 -23.816 1.00 0.00 C ATOM 1030 CD ARG A 74 12.846 2.701 -25.042 1.00 0.00 C ATOM 1031 NE ARG A 74 12.981 3.526 -26.240 1.00 0.00 N ATOM 1032 CZ ARG A 74 13.133 3.027 -27.462 1.00 0.00 C ATOM 1033 NH1 ARG A 74 13.168 1.715 -27.646 1.00 0.00 N ATOM 1034 NH2 ARG A 74 13.249 3.843 -28.502 1.00 0.00 N ATOM 0 H ARG A 74 11.031 2.673 -20.942 1.00 0.00 H new ATOM 0 HA ARG A 74 9.371 2.997 -22.476 1.00 0.00 H new ATOM 0 HB2 ARG A 74 10.555 3.781 -24.685 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.796 4.676 -23.198 1.00 0.00 H new ATOM 0 HG2 ARG A 74 12.982 4.502 -23.880 1.00 0.00 H new ATOM 0 HG3 ARG A 74 12.877 3.039 -22.921 1.00 0.00 H new ATOM 0 HD2 ARG A 74 13.779 2.167 -24.863 1.00 0.00 H new ATOM 0 HD3 ARG A 74 12.074 1.949 -25.205 1.00 0.00 H new ATOM 0 HE ARG A 74 12.957 4.540 -26.133 1.00 0.00 H new ATOM 0 HH11 ARG A 74 13.078 1.086 -26.848 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.285 1.335 -28.585 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.221 4.853 -28.363 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.366 3.460 -29.440 1.00 0.00 H new ATOM 1048 N GLY A 75 9.703 0.282 -23.263 1.00 0.00 N ATOM 1049 CA GLY A 75 9.362 -0.882 -24.060 1.00 0.00 C ATOM 1050 C GLY A 75 8.166 -1.632 -23.509 1.00 0.00 C ATOM 1051 O GLY A 75 8.254 -2.824 -23.213 1.00 0.00 O ATOM 0 H GLY A 75 9.736 0.118 -22.257 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.151 -0.569 -25.083 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.220 -1.553 -24.103 1.00 0.00 H new ATOM 1055 N LYS A 76 7.045 -0.934 -23.368 1.00 0.00 N ATOM 1056 CA LYS A 76 5.825 -1.540 -22.848 1.00 0.00 C ATOM 1057 C LYS A 76 6.018 -2.000 -21.406 1.00 0.00 C ATOM 1058 O LYS A 76 5.706 -3.140 -21.062 1.00 0.00 O ATOM 1059 CB LYS A 76 5.409 -2.726 -23.721 1.00 0.00 C ATOM 1060 CG LYS A 76 4.467 -2.348 -24.852 1.00 0.00 C ATOM 1061 CD LYS A 76 3.013 -2.458 -24.426 1.00 0.00 C ATOM 1062 CE LYS A 76 2.649 -3.886 -24.047 1.00 0.00 C ATOM 1063 NZ LYS A 76 1.186 -4.135 -24.165 1.00 0.00 N ATOM 0 H LYS A 76 6.956 0.054 -23.607 1.00 0.00 H new ATOM 0 HA LYS A 76 5.037 -0.787 -22.868 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.302 -3.187 -24.142 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.928 -3.477 -23.094 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.676 -1.328 -25.176 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.646 -2.998 -25.709 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.830 -1.798 -23.578 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.369 -2.120 -25.238 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.189 -4.581 -24.690 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.970 -4.083 -23.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.019 -5.147 -24.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.713 -3.851 -23.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.802 -3.582 -24.958 1.00 0.00 H new ATOM 1077 N TRP A 77 6.531 -1.106 -20.569 1.00 0.00 N ATOM 1078 CA TRP A 77 6.764 -1.420 -19.164 1.00 0.00 C ATOM 1079 C TRP A 77 5.490 -1.233 -18.347 1.00 0.00 C ATOM 1080 O TRP A 77 5.016 -0.111 -18.167 1.00 0.00 O ATOM 1081 CB TRP A 77 7.880 -0.539 -18.601 1.00 0.00 C ATOM 1082 CG TRP A 77 8.248 -0.877 -17.188 1.00 0.00 C ATOM 1083 CD1 TRP A 77 9.238 -1.724 -16.779 1.00 0.00 C ATOM 1084 CD2 TRP A 77 7.628 -0.376 -15.998 1.00 0.00 C ATOM 1085 NE1 TRP A 77 9.271 -1.780 -15.406 1.00 0.00 N ATOM 1086 CE2 TRP A 77 8.295 -0.962 -14.904 1.00 0.00 C ATOM 1087 CE3 TRP A 77 6.577 0.511 -15.751 1.00 0.00 C ATOM 1088 CZ2 TRP A 77 7.942 -0.688 -13.585 1.00 0.00 C ATOM 1089 CZ3 TRP A 77 6.228 0.781 -14.441 1.00 0.00 C ATOM 1090 CH2 TRP A 77 6.909 0.184 -13.372 1.00 0.00 C ATOM 0 H TRP A 77 6.794 -0.158 -20.839 1.00 0.00 H new ATOM 0 HA TRP A 77 7.067 -2.465 -19.096 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.763 -0.636 -19.232 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.568 0.504 -18.648 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.898 -2.270 -17.437 1.00 0.00 H new ATOM 0 HE1 TRP A 77 9.918 -2.340 -14.851 1.00 0.00 H new ATOM 0 HE3 TRP A 77 6.047 0.977 -16.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.465 -1.147 -12.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.416 1.464 -14.238 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.613 0.417 -12.360 1.00 0.00 H new ATOM 1101 N PHE A 78 4.941 -2.338 -17.853 1.00 0.00 N ATOM 1102 CA PHE A 78 3.722 -2.295 -17.055 1.00 0.00 C ATOM 1103 C PHE A 78 4.046 -2.332 -15.564 1.00 0.00 C ATOM 1104 O PHE A 78 4.784 -3.201 -15.100 1.00 0.00 O ATOM 1105 CB PHE A 78 2.807 -3.466 -17.419 1.00 0.00 C ATOM 1106 CG PHE A 78 1.842 -3.151 -18.527 1.00 0.00 C ATOM 1107 CD1 PHE A 78 2.270 -3.106 -19.844 1.00 0.00 C ATOM 1108 CD2 PHE A 78 0.508 -2.900 -18.251 1.00 0.00 C ATOM 1109 CE1 PHE A 78 1.385 -2.817 -20.866 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -0.382 -2.611 -19.268 1.00 0.00 C ATOM 1111 CZ PHE A 78 0.058 -2.568 -20.577 1.00 0.00 C ATOM 0 H PHE A 78 5.321 -3.274 -17.992 1.00 0.00 H new ATOM 0 HA PHE A 78 3.207 -1.359 -17.274 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.420 -4.318 -17.713 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.246 -3.767 -16.534 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.307 -3.299 -20.075 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.159 -2.930 -17.229 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.731 -2.786 -21.889 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.420 -2.419 -19.040 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.635 -2.340 -21.373 1.00 0.00 H new ATOM 1121 N CYS A 79 3.488 -1.384 -14.820 1.00 0.00 N ATOM 1122 CA CYS A 79 3.717 -1.306 -13.382 1.00 0.00 C ATOM 1123 C CYS A 79 3.502 -2.665 -12.723 1.00 0.00 C ATOM 1124 O CYS A 79 2.772 -3.519 -13.226 1.00 0.00 O ATOM 1125 CB CYS A 79 2.786 -0.268 -12.752 1.00 0.00 C ATOM 1126 SG CYS A 79 1.067 -0.837 -12.551 1.00 0.00 S ATOM 0 H CYS A 79 2.873 -0.658 -15.189 1.00 0.00 H new ATOM 0 HA CYS A 79 4.751 -1.003 -13.219 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.181 0.014 -11.776 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.790 0.631 -13.369 1.00 0.00 H new ATOM 0 HG CYS A 79 0.578 -1.160 -13.712 1.00 0.00 H new ATOM 1131 N PRO A 80 4.154 -2.872 -11.569 1.00 0.00 N ATOM 1132 CA PRO A 80 4.050 -4.125 -10.815 1.00 0.00 C ATOM 1133 C PRO A 80 2.674 -4.310 -10.184 1.00 0.00 C ATOM 1134 O PRO A 80 2.449 -5.256 -9.429 1.00 0.00 O ATOM 1135 CB PRO A 80 5.119 -3.975 -9.730 1.00 0.00 C ATOM 1136 CG PRO A 80 5.279 -2.505 -9.555 1.00 0.00 C ATOM 1137 CD PRO A 80 5.042 -1.899 -10.911 1.00 0.00 C ATOM 0 HA PRO A 80 4.189 -4.997 -11.453 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.809 -4.453 -8.801 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.057 -4.442 -10.031 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.567 -2.119 -8.825 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.276 -2.262 -9.188 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.576 -0.916 -10.836 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.974 -1.769 -11.461 1.00 0.00 H new ATOM 1145 N ARG A 81 1.757 -3.401 -10.500 1.00 0.00 N ATOM 1146 CA ARG A 81 0.403 -3.464 -9.964 1.00 0.00 C ATOM 1147 C ARG A 81 -0.583 -3.934 -11.030 1.00 0.00 C ATOM 1148 O ARG A 81 -1.636 -4.490 -10.715 1.00 0.00 O ATOM 1149 CB ARG A 81 -0.022 -2.095 -9.429 1.00 0.00 C ATOM 1150 CG ARG A 81 0.870 -1.574 -8.314 1.00 0.00 C ATOM 1151 CD ARG A 81 0.158 -0.524 -7.476 1.00 0.00 C ATOM 1152 NE ARG A 81 -0.535 0.460 -8.304 1.00 0.00 N ATOM 1153 CZ ARG A 81 -1.487 1.265 -7.846 1.00 0.00 C ATOM 1154 NH1 ARG A 81 -1.856 1.205 -6.574 1.00 0.00 N ATOM 1155 NH2 ARG A 81 -2.071 2.134 -8.661 1.00 0.00 N ATOM 0 H ARG A 81 1.927 -2.613 -11.124 1.00 0.00 H new ATOM 0 HA ARG A 81 0.397 -4.184 -9.145 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.021 -1.377 -10.249 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.047 -2.159 -9.063 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.178 -2.402 -7.676 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.777 -1.146 -8.742 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.559 -1.012 -6.816 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.882 -0.016 -6.839 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.274 0.533 -9.287 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.408 0.539 -5.944 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.587 1.825 -6.225 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.789 2.184 -9.640 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.802 2.752 -8.309 1.00 0.00 H new ATOM 1169 N CYS A 82 -0.235 -3.706 -12.291 1.00 0.00 N ATOM 1170 CA CYS A 82 -1.088 -4.104 -13.405 1.00 0.00 C ATOM 1171 C CYS A 82 -0.693 -5.482 -13.927 1.00 0.00 C ATOM 1172 O CYS A 82 -1.547 -6.338 -14.156 1.00 0.00 O ATOM 1173 CB CYS A 82 -1.002 -3.075 -14.534 1.00 0.00 C ATOM 1174 SG CYS A 82 -1.741 -1.460 -14.126 1.00 0.00 S ATOM 0 H CYS A 82 0.633 -3.247 -12.568 1.00 0.00 H new ATOM 0 HA CYS A 82 -2.115 -4.152 -13.044 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.045 -2.927 -14.797 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -1.499 -3.477 -15.417 1.00 0.00 H new ATOM 0 HG CYS A 82 -1.034 -0.880 -13.202 1.00 0.00 H new ATOM 1179 N SER A 83 0.607 -5.689 -14.112 1.00 0.00 N ATOM 1180 CA SER A 83 1.115 -6.961 -14.610 1.00 0.00 C ATOM 1181 C SER A 83 0.359 -8.130 -13.986 1.00 0.00 C ATOM 1182 O SER A 83 0.028 -9.102 -14.665 1.00 0.00 O ATOM 1183 CB SER A 83 2.610 -7.089 -14.313 1.00 0.00 C ATOM 1184 OG SER A 83 3.126 -8.313 -14.806 1.00 0.00 O ATOM 0 H SER A 83 1.327 -4.992 -13.924 1.00 0.00 H new ATOM 0 HA SER A 83 0.963 -6.987 -15.689 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.147 -6.256 -14.767 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.777 -7.028 -13.238 1.00 0.00 H new ATOM 0 HG SER A 83 4.083 -8.369 -14.605 1.00 0.00 H new