USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 656 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 28 MET CE :methyl -134:sc= -0.164 (180deg=-0.498) USER MOD Set 1.2: A 33 SER OG : rot -110:sc= -0.153 USER MOD Set 2.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 6 SER OG : rot 171:sc= -0.0786 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 145:sc= 0.993 USER MOD Single : A 16 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.08) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc=-3.66e-05 X(o=-3.7e-05,f=-0.0034) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -78:sc= -0.266 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.063) USER MOD Single : A 45 GLN : amide:sc= -4.72! C(o=-4.7!,f=-9.1!) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 3:sc= -4.44! USER MOD Single : A 51 TYR OH : rot -140:sc= -1.75 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 61 THR OG1 : rot -150:sc= -1.19 USER MOD Single : A 65 THR OG1 : rot -165:sc= -4.85! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.483 -17.616 -5.028 1.00 0.00 N ATOM 2 CA GLY A 1 6.549 -16.778 -5.761 1.00 0.00 C ATOM 3 C GLY A 1 7.261 -15.572 -6.377 1.00 0.00 C ATOM 4 O GLY A 1 7.808 -14.736 -5.659 1.00 0.00 O ATOM 0 H1 GLY A 1 6.975 -18.427 -4.620 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.222 -17.960 -5.674 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.921 -17.062 -4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.070 -17.362 -6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.759 -16.436 -5.092 1.00 0.00 H new ATOM 8 N SER A 2 7.232 -15.520 -7.701 1.00 0.00 N ATOM 9 CA SER A 2 7.868 -14.430 -8.421 1.00 0.00 C ATOM 10 C SER A 2 9.294 -14.225 -7.907 1.00 0.00 C ATOM 11 O SER A 2 9.504 -13.542 -6.905 1.00 0.00 O ATOM 12 CB SER A 2 7.063 -13.136 -8.285 1.00 0.00 C ATOM 13 OG SER A 2 7.358 -12.212 -9.329 1.00 0.00 O ATOM 0 H SER A 2 6.778 -16.215 -8.294 1.00 0.00 H new ATOM 0 HA SER A 2 7.904 -14.694 -9.478 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.998 -13.368 -8.297 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.278 -12.675 -7.321 1.00 0.00 H new ATOM 0 HG SER A 2 6.823 -11.400 -9.208 1.00 0.00 H new ATOM 19 N SER A 3 10.237 -14.828 -8.615 1.00 0.00 N ATOM 20 CA SER A 3 11.638 -14.720 -8.243 1.00 0.00 C ATOM 21 C SER A 3 11.857 -15.317 -6.851 1.00 0.00 C ATOM 22 O SER A 3 12.283 -16.464 -6.724 1.00 0.00 O ATOM 23 CB SER A 3 12.105 -13.263 -8.275 1.00 0.00 C ATOM 24 OG SER A 3 13.429 -13.116 -7.769 1.00 0.00 O ATOM 0 H SER A 3 10.059 -15.394 -9.445 1.00 0.00 H new ATOM 0 HA SER A 3 12.229 -15.279 -8.968 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.065 -12.892 -9.299 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.422 -12.650 -7.687 1.00 0.00 H new ATOM 0 HG SER A 3 13.691 -12.172 -7.808 1.00 0.00 H new ATOM 30 N GLY A 4 11.555 -14.512 -5.843 1.00 0.00 N ATOM 31 CA GLY A 4 11.714 -14.946 -4.465 1.00 0.00 C ATOM 32 C GLY A 4 13.085 -14.544 -3.918 1.00 0.00 C ATOM 33 O GLY A 4 14.094 -14.667 -4.610 1.00 0.00 O ATOM 0 H GLY A 4 11.201 -13.562 -5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.930 -14.507 -3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.598 -16.028 -4.405 1.00 0.00 H new ATOM 37 N SER A 5 13.077 -14.072 -2.680 1.00 0.00 N ATOM 38 CA SER A 5 14.307 -13.652 -2.031 1.00 0.00 C ATOM 39 C SER A 5 14.996 -12.571 -2.868 1.00 0.00 C ATOM 40 O SER A 5 15.771 -12.881 -3.771 1.00 0.00 O ATOM 41 CB SER A 5 15.250 -14.837 -1.816 1.00 0.00 C ATOM 42 OG SER A 5 14.980 -15.517 -0.592 1.00 0.00 O ATOM 0 H SER A 5 12.238 -13.971 -2.109 1.00 0.00 H new ATOM 0 HA SER A 5 14.055 -13.242 -1.053 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.152 -15.534 -2.648 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.281 -14.485 -1.815 1.00 0.00 H new ATOM 0 HG SER A 5 15.601 -16.268 -0.491 1.00 0.00 H new ATOM 48 N SER A 6 14.689 -11.326 -2.537 1.00 0.00 N ATOM 49 CA SER A 6 15.269 -10.198 -3.246 1.00 0.00 C ATOM 50 C SER A 6 15.319 -8.974 -2.330 1.00 0.00 C ATOM 51 O SER A 6 14.283 -8.399 -1.999 1.00 0.00 O ATOM 52 CB SER A 6 14.477 -9.880 -4.515 1.00 0.00 C ATOM 53 OG SER A 6 14.338 -11.021 -5.358 1.00 0.00 O ATOM 0 H SER A 6 14.046 -11.073 -1.787 1.00 0.00 H new ATOM 0 HA SER A 6 16.284 -10.464 -3.541 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.489 -9.508 -4.242 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.977 -9.082 -5.064 1.00 0.00 H new ATOM 0 HG SER A 6 13.703 -10.821 -6.077 1.00 0.00 H new ATOM 59 N GLY A 7 16.534 -8.610 -1.947 1.00 0.00 N ATOM 60 CA GLY A 7 16.732 -7.464 -1.076 1.00 0.00 C ATOM 61 C GLY A 7 15.838 -7.555 0.162 1.00 0.00 C ATOM 62 O GLY A 7 15.628 -8.640 0.703 1.00 0.00 O ATOM 0 H GLY A 7 17.391 -9.088 -2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.777 -7.411 -0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.512 -6.546 -1.621 1.00 0.00 H new ATOM 66 N GLY A 8 15.334 -6.401 0.575 1.00 0.00 N ATOM 67 CA GLY A 8 14.467 -6.336 1.739 1.00 0.00 C ATOM 68 C GLY A 8 13.579 -5.091 1.693 1.00 0.00 C ATOM 69 O GLY A 8 13.701 -4.206 2.538 1.00 0.00 O ATOM 0 H GLY A 8 15.510 -5.503 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.844 -7.230 1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.071 -6.323 2.646 1.00 0.00 H new ATOM 73 N THR A 9 12.705 -5.064 0.697 1.00 0.00 N ATOM 74 CA THR A 9 11.797 -3.942 0.529 1.00 0.00 C ATOM 75 C THR A 9 10.527 -4.388 -0.198 1.00 0.00 C ATOM 76 O THR A 9 10.448 -5.517 -0.681 1.00 0.00 O ATOM 77 CB THR A 9 12.552 -2.826 -0.196 1.00 0.00 C ATOM 78 OG1 THR A 9 13.250 -3.500 -1.239 1.00 0.00 O ATOM 79 CG2 THR A 9 13.663 -2.218 0.663 1.00 0.00 C ATOM 0 H THR A 9 12.607 -5.801 -0.001 1.00 0.00 H new ATOM 0 HA THR A 9 11.464 -3.556 1.492 1.00 0.00 H new ATOM 0 HB THR A 9 11.851 -2.045 -0.490 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.765 -2.850 -1.761 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.167 -1.431 0.102 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.232 -1.797 1.571 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.383 -2.992 0.929 1.00 0.00 H new ATOM 87 N VAL A 10 9.565 -3.479 -0.253 1.00 0.00 N ATOM 88 CA VAL A 10 8.302 -3.765 -0.913 1.00 0.00 C ATOM 89 C VAL A 10 7.896 -2.564 -1.770 1.00 0.00 C ATOM 90 O VAL A 10 8.166 -1.420 -1.408 1.00 0.00 O ATOM 91 CB VAL A 10 7.244 -4.145 0.124 1.00 0.00 C ATOM 92 CG1 VAL A 10 5.850 -4.191 -0.506 1.00 0.00 C ATOM 93 CG2 VAL A 10 7.586 -5.477 0.794 1.00 0.00 C ATOM 0 H VAL A 10 9.634 -2.544 0.149 1.00 0.00 H new ATOM 0 HA VAL A 10 8.405 -4.621 -1.581 1.00 0.00 H new ATOM 0 HB VAL A 10 7.239 -3.374 0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.117 -4.464 0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.603 -3.211 -0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.837 -4.931 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.818 -5.724 1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.633 -6.262 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.551 -5.396 1.294 1.00 0.00 H new ATOM 103 N LYS A 11 7.254 -2.865 -2.889 1.00 0.00 N ATOM 104 CA LYS A 11 6.808 -1.825 -3.799 1.00 0.00 C ATOM 105 C LYS A 11 5.374 -1.424 -3.446 1.00 0.00 C ATOM 106 O LYS A 11 4.507 -2.282 -3.292 1.00 0.00 O ATOM 107 CB LYS A 11 6.982 -2.273 -5.252 1.00 0.00 C ATOM 108 CG LYS A 11 8.462 -2.433 -5.603 1.00 0.00 C ATOM 109 CD LYS A 11 8.674 -3.602 -6.567 1.00 0.00 C ATOM 110 CE LYS A 11 9.206 -3.112 -7.915 1.00 0.00 C ATOM 111 NZ LYS A 11 9.088 -4.176 -8.937 1.00 0.00 N ATOM 0 H LYS A 11 7.032 -3.815 -3.186 1.00 0.00 H new ATOM 0 HA LYS A 11 7.425 -0.933 -3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.463 -3.219 -5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.523 -1.543 -5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.834 -1.513 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.039 -2.598 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.376 -4.314 -6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.733 -4.132 -6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.650 -2.230 -8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.249 -2.811 -7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.454 -3.827 -9.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.638 -5.006 -8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.089 -4.444 -9.046 1.00 0.00 H new ATOM 125 N VAL A 12 5.170 -0.121 -3.329 1.00 0.00 N ATOM 126 CA VAL A 12 3.856 0.404 -2.997 1.00 0.00 C ATOM 127 C VAL A 12 3.385 1.333 -4.118 1.00 0.00 C ATOM 128 O VAL A 12 4.043 2.326 -4.425 1.00 0.00 O ATOM 129 CB VAL A 12 3.896 1.089 -1.630 1.00 0.00 C ATOM 130 CG1 VAL A 12 2.524 1.656 -1.260 1.00 0.00 C ATOM 131 CG2 VAL A 12 4.402 0.130 -0.551 1.00 0.00 C ATOM 0 H VAL A 12 5.892 0.588 -3.458 1.00 0.00 H new ATOM 0 HA VAL A 12 3.130 -0.405 -2.919 1.00 0.00 H new ATOM 0 HB VAL A 12 4.596 1.922 -1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.581 2.137 -0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.219 2.387 -2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.794 0.848 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.421 0.642 0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.738 -0.732 -0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.408 -0.204 -0.804 1.00 0.00 H new ATOM 141 N TYR A 13 2.248 0.978 -4.699 1.00 0.00 N ATOM 142 CA TYR A 13 1.681 1.767 -5.779 1.00 0.00 C ATOM 143 C TYR A 13 0.786 2.881 -5.232 1.00 0.00 C ATOM 144 O TYR A 13 -0.231 2.609 -4.595 1.00 0.00 O ATOM 145 CB TYR A 13 0.828 0.802 -6.604 1.00 0.00 C ATOM 146 CG TYR A 13 1.640 -0.201 -7.425 1.00 0.00 C ATOM 147 CD1 TYR A 13 2.728 0.228 -8.158 1.00 0.00 C ATOM 148 CD2 TYR A 13 1.286 -1.535 -7.432 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.493 -0.716 -8.931 1.00 0.00 C ATOM 150 CE2 TYR A 13 2.051 -2.479 -8.205 1.00 0.00 C ATOM 151 CZ TYR A 13 3.117 -2.023 -8.917 1.00 0.00 C ATOM 152 OH TYR A 13 3.839 -2.914 -9.647 1.00 0.00 O ATOM 0 H TYR A 13 1.704 0.154 -4.442 1.00 0.00 H new ATOM 0 HA TYR A 13 2.470 2.235 -6.368 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.165 0.255 -5.933 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.194 1.379 -7.278 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.006 1.272 -8.152 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.435 -1.871 -6.858 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.346 -0.393 -9.509 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.785 -3.526 -8.219 1.00 0.00 H new ATOM 0 HH TYR A 13 3.876 -3.771 -9.173 1.00 0.00 H new ATOM 162 N LEU A 14 1.195 4.112 -5.502 1.00 0.00 N ATOM 163 CA LEU A 14 0.443 5.268 -5.045 1.00 0.00 C ATOM 164 C LEU A 14 -0.599 5.643 -6.101 1.00 0.00 C ATOM 165 O LEU A 14 -0.470 5.268 -7.265 1.00 0.00 O ATOM 166 CB LEU A 14 1.389 6.414 -4.681 1.00 0.00 C ATOM 167 CG LEU A 14 1.932 6.406 -3.250 1.00 0.00 C ATOM 168 CD1 LEU A 14 3.182 7.281 -3.133 1.00 0.00 C ATOM 169 CD2 LEU A 14 0.849 6.818 -2.251 1.00 0.00 C ATOM 0 H LEU A 14 2.038 4.334 -6.032 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.100 5.031 -4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.234 6.394 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.866 7.356 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 14 2.228 5.387 -3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.548 7.258 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.955 6.903 -3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.935 8.307 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.261 6.804 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.500 7.823 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.014 6.120 -2.312 1.00 0.00 H new ATOM 181 N PRO A 15 -1.634 6.398 -5.644 1.00 0.00 N ATOM 182 CA PRO A 15 -2.697 6.828 -6.537 1.00 0.00 C ATOM 183 C PRO A 15 -2.224 7.964 -7.446 1.00 0.00 C ATOM 184 O PRO A 15 -2.607 9.117 -7.255 1.00 0.00 O ATOM 185 CB PRO A 15 -3.838 7.237 -5.620 1.00 0.00 C ATOM 186 CG PRO A 15 -3.214 7.462 -4.252 1.00 0.00 C ATOM 187 CD PRO A 15 -1.819 6.861 -4.272 1.00 0.00 C ATOM 0 HA PRO A 15 -3.015 6.042 -7.222 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.324 8.143 -5.981 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.602 6.461 -5.578 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.168 8.527 -4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.819 6.996 -3.475 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.066 7.600 -3.999 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.732 6.039 -3.562 1.00 0.00 H new ATOM 195 N ASN A 16 -1.398 7.598 -8.415 1.00 0.00 N ATOM 196 CA ASN A 16 -0.868 8.572 -9.354 1.00 0.00 C ATOM 197 C ASN A 16 0.167 7.895 -10.255 1.00 0.00 C ATOM 198 O ASN A 16 1.209 8.476 -10.555 1.00 0.00 O ATOM 199 CB ASN A 16 -0.176 9.724 -8.622 1.00 0.00 C ATOM 200 CG ASN A 16 -0.562 11.073 -9.233 1.00 0.00 C ATOM 201 OD1 ASN A 16 -0.638 11.238 -10.440 1.00 0.00 O ATOM 202 ND2 ASN A 16 -0.801 12.025 -8.336 1.00 0.00 N ATOM 0 H ASN A 16 -1.083 6.640 -8.570 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.701 8.964 -9.938 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.451 9.707 -7.567 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.905 9.594 -8.672 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.066 12.961 -8.644 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.719 11.820 -7.340 1.00 0.00 H new ATOM 209 N LYS A 17 -0.157 6.677 -10.662 1.00 0.00 N ATOM 210 CA LYS A 17 0.732 5.915 -11.523 1.00 0.00 C ATOM 211 C LYS A 17 2.153 5.970 -10.959 1.00 0.00 C ATOM 212 O LYS A 17 3.124 5.809 -11.696 1.00 0.00 O ATOM 213 CB LYS A 17 0.625 6.402 -12.969 1.00 0.00 C ATOM 214 CG LYS A 17 -0.712 5.991 -13.589 1.00 0.00 C ATOM 215 CD LYS A 17 -0.858 6.557 -15.003 1.00 0.00 C ATOM 216 CE LYS A 17 -1.020 5.434 -16.029 1.00 0.00 C ATOM 217 NZ LYS A 17 -0.439 5.833 -17.330 1.00 0.00 N ATOM 0 H LYS A 17 -1.022 6.199 -10.412 1.00 0.00 H new ATOM 0 HA LYS A 17 0.437 4.866 -11.542 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.726 7.487 -12.999 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.445 5.989 -13.557 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.784 4.904 -13.619 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.531 6.347 -12.965 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.722 7.221 -15.046 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.018 7.157 -15.251 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.530 4.530 -15.667 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.077 5.197 -16.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.557 5.059 -18.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.924 6.683 -17.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.574 6.037 -17.210 1.00 0.00 H new ATOM 231 N GLN A 18 2.229 6.198 -9.656 1.00 0.00 N ATOM 232 CA GLN A 18 3.515 6.277 -8.984 1.00 0.00 C ATOM 233 C GLN A 18 3.696 5.085 -8.042 1.00 0.00 C ATOM 234 O GLN A 18 2.726 4.416 -7.689 1.00 0.00 O ATOM 235 CB GLN A 18 3.660 7.600 -8.229 1.00 0.00 C ATOM 236 CG GLN A 18 4.058 8.732 -9.178 1.00 0.00 C ATOM 237 CD GLN A 18 5.030 9.700 -8.499 1.00 0.00 C ATOM 238 OE1 GLN A 18 4.848 10.108 -7.364 1.00 0.00 O ATOM 239 NE2 GLN A 18 6.068 10.042 -9.256 1.00 0.00 N ATOM 0 H GLN A 18 1.421 6.331 -9.048 1.00 0.00 H new ATOM 0 HA GLN A 18 4.300 6.241 -9.739 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.719 7.847 -7.737 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.411 7.496 -7.446 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.520 8.316 -10.073 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.167 9.271 -9.500 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.159 9.663 -10.199 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.774 10.684 -8.894 1.00 0.00 H new ATOM 248 N ARG A 19 4.944 4.857 -7.661 1.00 0.00 N ATOM 249 CA ARG A 19 5.264 3.758 -6.766 1.00 0.00 C ATOM 250 C ARG A 19 6.421 4.144 -5.843 1.00 0.00 C ATOM 251 O ARG A 19 7.243 4.990 -6.193 1.00 0.00 O ATOM 252 CB ARG A 19 5.645 2.501 -7.552 1.00 0.00 C ATOM 253 CG ARG A 19 6.852 2.765 -8.455 1.00 0.00 C ATOM 254 CD ARG A 19 6.409 3.044 -9.893 1.00 0.00 C ATOM 255 NE ARG A 19 6.975 4.331 -10.355 1.00 0.00 N ATOM 256 CZ ARG A 19 6.975 4.736 -11.633 1.00 0.00 C ATOM 257 NH1 ARG A 19 6.439 3.957 -12.582 1.00 0.00 N ATOM 258 NH2 ARG A 19 7.511 5.919 -11.961 1.00 0.00 N ATOM 0 H ARG A 19 5.746 5.415 -7.956 1.00 0.00 H new ATOM 0 HA ARG A 19 4.376 3.546 -6.171 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.874 1.690 -6.860 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.798 2.175 -8.156 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.418 3.615 -8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.520 1.904 -8.437 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.738 2.237 -10.547 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.321 3.075 -9.948 1.00 0.00 H new ATOM 0 HE ARG A 19 7.391 4.948 -9.658 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.031 3.056 -12.332 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.439 4.265 -13.554 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.919 6.512 -11.238 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.511 6.227 -12.933 1.00 0.00 H new ATOM 272 N THR A 20 6.449 3.506 -4.682 1.00 0.00 N ATOM 273 CA THR A 20 7.492 3.773 -3.706 1.00 0.00 C ATOM 274 C THR A 20 7.924 2.475 -3.020 1.00 0.00 C ATOM 275 O THR A 20 7.085 1.653 -2.655 1.00 0.00 O ATOM 276 CB THR A 20 6.968 4.830 -2.732 1.00 0.00 C ATOM 277 OG1 THR A 20 8.145 5.350 -2.119 1.00 0.00 O ATOM 278 CG2 THR A 20 6.183 4.219 -1.570 1.00 0.00 C ATOM 0 H THR A 20 5.766 2.805 -4.395 1.00 0.00 H new ATOM 0 HA THR A 20 8.390 4.166 -4.183 1.00 0.00 H new ATOM 0 HB THR A 20 6.332 5.534 -3.269 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.898 6.044 -1.473 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.834 5.013 -0.909 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.327 3.668 -1.959 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.828 3.540 -1.012 1.00 0.00 H new ATOM 286 N VAL A 21 9.232 2.333 -2.865 1.00 0.00 N ATOM 287 CA VAL A 21 9.786 1.150 -2.229 1.00 0.00 C ATOM 288 C VAL A 21 9.962 1.415 -0.732 1.00 0.00 C ATOM 289 O VAL A 21 10.597 2.394 -0.342 1.00 0.00 O ATOM 290 CB VAL A 21 11.089 0.745 -2.921 1.00 0.00 C ATOM 291 CG1 VAL A 21 11.361 -0.751 -2.746 1.00 0.00 C ATOM 292 CG2 VAL A 21 11.065 1.129 -4.402 1.00 0.00 C ATOM 0 H VAL A 21 9.924 3.018 -3.169 1.00 0.00 H new ATOM 0 HA VAL A 21 9.103 0.307 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 21 11.904 1.291 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.293 -1.012 -3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.442 -0.984 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.542 -1.323 -3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.003 0.830 -4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.235 0.623 -4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.940 2.208 -4.496 1.00 0.00 H new ATOM 302 N VAL A 22 9.387 0.527 0.065 1.00 0.00 N ATOM 303 CA VAL A 22 9.473 0.653 1.510 1.00 0.00 C ATOM 304 C VAL A 22 10.266 -0.527 2.075 1.00 0.00 C ATOM 305 O VAL A 22 10.436 -1.543 1.404 1.00 0.00 O ATOM 306 CB VAL A 22 8.070 0.771 2.109 1.00 0.00 C ATOM 307 CG1 VAL A 22 8.136 1.004 3.620 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.270 1.878 1.418 1.00 0.00 C ATOM 0 H VAL A 22 8.860 -0.283 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 22 10.007 1.563 1.782 1.00 0.00 H new ATOM 0 HB VAL A 22 7.553 -0.173 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.125 1.084 4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.649 0.168 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.681 1.926 3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.277 1.941 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.784 2.831 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.178 1.652 0.356 1.00 0.00 H new ATOM 318 N THR A 23 10.730 -0.353 3.304 1.00 0.00 N ATOM 319 CA THR A 23 11.502 -1.391 3.967 1.00 0.00 C ATOM 320 C THR A 23 10.575 -2.337 4.732 1.00 0.00 C ATOM 321 O THR A 23 9.682 -1.891 5.450 1.00 0.00 O ATOM 322 CB THR A 23 12.544 -0.710 4.856 1.00 0.00 C ATOM 323 OG1 THR A 23 13.282 0.114 3.958 1.00 0.00 O ATOM 324 CG2 THR A 23 13.583 -1.693 5.399 1.00 0.00 C ATOM 0 H THR A 23 10.586 0.491 3.858 1.00 0.00 H new ATOM 0 HA THR A 23 12.028 -2.015 3.245 1.00 0.00 H new ATOM 0 HB THR A 23 12.043 -0.215 5.688 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.979 0.594 4.452 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.299 -1.158 6.023 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.084 -2.458 5.993 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.108 -2.164 4.568 1.00 0.00 H new ATOM 332 N VAL A 24 10.819 -3.627 4.551 1.00 0.00 N ATOM 333 CA VAL A 24 10.018 -4.641 5.216 1.00 0.00 C ATOM 334 C VAL A 24 10.550 -4.856 6.634 1.00 0.00 C ATOM 335 O VAL A 24 11.636 -5.404 6.818 1.00 0.00 O ATOM 336 CB VAL A 24 10.001 -5.924 4.383 1.00 0.00 C ATOM 337 CG1 VAL A 24 8.746 -6.749 4.672 1.00 0.00 C ATOM 338 CG2 VAL A 24 10.119 -5.610 2.890 1.00 0.00 C ATOM 0 H VAL A 24 11.560 -3.993 3.953 1.00 0.00 H new ATOM 0 HA VAL A 24 8.982 -4.313 5.304 1.00 0.00 H new ATOM 0 HB VAL A 24 10.867 -6.521 4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.759 -7.655 4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.723 -7.018 5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.861 -6.162 4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.104 -6.539 2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.282 -4.983 2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.055 -5.084 2.702 1.00 0.00 H new ATOM 348 N ARG A 25 9.760 -4.413 7.602 1.00 0.00 N ATOM 349 CA ARG A 25 10.137 -4.551 8.998 1.00 0.00 C ATOM 350 C ARG A 25 9.261 -5.600 9.684 1.00 0.00 C ATOM 351 O ARG A 25 8.319 -6.116 9.084 1.00 0.00 O ATOM 352 CB ARG A 25 10.001 -3.219 9.739 1.00 0.00 C ATOM 353 CG ARG A 25 10.775 -2.111 9.022 1.00 0.00 C ATOM 354 CD ARG A 25 11.656 -1.335 10.003 1.00 0.00 C ATOM 355 NE ARG A 25 12.907 -0.913 9.334 1.00 0.00 N ATOM 356 CZ ARG A 25 12.996 0.126 8.493 1.00 0.00 C ATOM 357 NH1 ARG A 25 11.907 0.855 8.211 1.00 0.00 N ATOM 358 NH2 ARG A 25 14.173 0.436 7.932 1.00 0.00 N ATOM 0 H ARG A 25 8.860 -3.958 7.446 1.00 0.00 H new ATOM 0 HA ARG A 25 11.180 -4.867 9.030 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.949 -2.944 9.811 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.373 -3.326 10.758 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.394 -2.545 8.236 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.076 -1.429 8.537 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.120 -0.462 10.374 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.888 -1.957 10.867 1.00 0.00 H new ATOM 0 HE ARG A 25 13.755 -1.447 9.525 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.011 0.619 8.637 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.975 1.646 7.571 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.002 -0.119 8.145 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.240 1.227 7.292 1.00 0.00 H new ATOM 372 N ASP A 26 9.602 -5.885 10.932 1.00 0.00 N ATOM 373 CA ASP A 26 8.857 -6.864 11.706 1.00 0.00 C ATOM 374 C ASP A 26 8.581 -6.301 13.102 1.00 0.00 C ATOM 375 O ASP A 26 8.823 -6.971 14.105 1.00 0.00 O ATOM 376 CB ASP A 26 9.655 -8.160 11.869 1.00 0.00 C ATOM 377 CG ASP A 26 10.346 -8.658 10.598 1.00 0.00 C ATOM 378 OD1 ASP A 26 9.632 -8.794 9.581 1.00 0.00 O ATOM 379 OD2 ASP A 26 11.571 -8.891 10.672 1.00 0.00 O ATOM 0 H ASP A 26 10.384 -5.455 11.427 1.00 0.00 H new ATOM 0 HA ASP A 26 7.928 -7.076 11.177 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.411 -8.009 12.640 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.984 -8.940 12.229 1.00 0.00 H new ATOM 384 N GLY A 27 8.077 -5.076 13.121 1.00 0.00 N ATOM 385 CA GLY A 27 7.765 -4.415 14.377 1.00 0.00 C ATOM 386 C GLY A 27 6.961 -3.135 14.138 1.00 0.00 C ATOM 387 O GLY A 27 7.239 -2.101 14.743 1.00 0.00 O ATOM 0 H GLY A 27 7.877 -4.524 12.287 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.198 -5.091 15.017 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.688 -4.176 14.905 1.00 0.00 H new ATOM 391 N MET A 28 5.979 -3.248 13.256 1.00 0.00 N ATOM 392 CA MET A 28 5.133 -2.113 12.929 1.00 0.00 C ATOM 393 C MET A 28 3.921 -2.551 12.104 1.00 0.00 C ATOM 394 O MET A 28 3.912 -3.646 11.542 1.00 0.00 O ATOM 395 CB MET A 28 5.942 -1.082 12.140 1.00 0.00 C ATOM 396 CG MET A 28 6.291 -1.608 10.747 1.00 0.00 C ATOM 397 SD MET A 28 7.694 -0.720 10.092 1.00 0.00 S ATOM 398 CE MET A 28 6.903 0.812 9.631 1.00 0.00 C ATOM 0 H MET A 28 5.750 -4.108 12.758 1.00 0.00 H new ATOM 0 HA MET A 28 4.775 -1.672 13.859 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.371 -0.158 12.051 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.857 -0.841 12.681 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.516 -2.673 10.798 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.435 -1.494 10.081 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.227 1.102 8.632 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.821 0.679 9.637 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.177 1.591 10.342 1.00 0.00 H new ATOM 408 N SER A 29 2.929 -1.675 12.056 1.00 0.00 N ATOM 409 CA SER A 29 1.715 -1.958 11.309 1.00 0.00 C ATOM 410 C SER A 29 1.832 -1.399 9.890 1.00 0.00 C ATOM 411 O SER A 29 2.867 -0.846 9.520 1.00 0.00 O ATOM 412 CB SER A 29 0.488 -1.374 12.010 1.00 0.00 C ATOM 413 OG SER A 29 0.418 0.043 11.873 1.00 0.00 O ATOM 0 H SER A 29 2.941 -0.768 12.523 1.00 0.00 H new ATOM 0 HA SER A 29 1.589 -3.040 11.258 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.414 -1.823 11.595 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.517 -1.635 13.068 1.00 0.00 H new ATOM 0 HG SER A 29 1.042 0.464 12.501 1.00 0.00 H new ATOM 419 N VAL A 30 0.757 -1.562 9.133 1.00 0.00 N ATOM 420 CA VAL A 30 0.726 -1.080 7.763 1.00 0.00 C ATOM 421 C VAL A 30 0.488 0.432 7.763 1.00 0.00 C ATOM 422 O VAL A 30 0.925 1.133 6.852 1.00 0.00 O ATOM 423 CB VAL A 30 -0.324 -1.850 6.961 1.00 0.00 C ATOM 424 CG1 VAL A 30 -0.483 -1.261 5.557 1.00 0.00 C ATOM 425 CG2 VAL A 30 0.020 -3.340 6.894 1.00 0.00 C ATOM 0 H VAL A 30 -0.099 -2.021 9.443 1.00 0.00 H new ATOM 0 HA VAL A 30 1.684 -1.258 7.274 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.279 -1.749 7.477 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.236 -1.827 5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.796 -0.220 5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.469 -1.316 5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.743 -3.864 6.318 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.990 -3.468 6.413 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.058 -3.750 7.903 1.00 0.00 H new ATOM 435 N TYR A 31 -0.205 0.889 8.796 1.00 0.00 N ATOM 436 CA TYR A 31 -0.507 2.304 8.927 1.00 0.00 C ATOM 437 C TYR A 31 0.775 3.127 9.068 1.00 0.00 C ATOM 438 O TYR A 31 1.021 4.039 8.280 1.00 0.00 O ATOM 439 CB TYR A 31 -1.331 2.442 10.209 1.00 0.00 C ATOM 440 CG TYR A 31 -1.479 3.884 10.701 1.00 0.00 C ATOM 441 CD1 TYR A 31 -2.534 4.657 10.262 1.00 0.00 C ATOM 442 CD2 TYR A 31 -0.558 4.410 11.584 1.00 0.00 C ATOM 443 CE1 TYR A 31 -2.673 6.014 10.725 1.00 0.00 C ATOM 444 CE2 TYR A 31 -0.697 5.766 12.047 1.00 0.00 C ATOM 445 CZ TYR A 31 -1.748 6.501 11.594 1.00 0.00 C ATOM 446 OH TYR A 31 -1.880 7.782 12.032 1.00 0.00 O ATOM 0 H TYR A 31 -0.566 0.304 9.550 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.039 2.666 8.047 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.323 2.024 10.038 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.865 1.847 10.994 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.255 4.245 9.572 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.267 3.804 11.928 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.494 6.631 10.389 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.017 6.190 12.738 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.148 7.994 12.649 1.00 0.00 H new ATOM 456 N ASP A 32 1.558 2.776 10.078 1.00 0.00 N ATOM 457 CA ASP A 32 2.809 3.471 10.332 1.00 0.00 C ATOM 458 C ASP A 32 3.744 3.283 9.135 1.00 0.00 C ATOM 459 O ASP A 32 4.604 4.124 8.878 1.00 0.00 O ATOM 460 CB ASP A 32 3.509 2.909 11.571 1.00 0.00 C ATOM 461 CG ASP A 32 2.804 3.198 12.898 1.00 0.00 C ATOM 462 OD1 ASP A 32 3.001 4.320 13.413 1.00 0.00 O ATOM 463 OD2 ASP A 32 2.085 2.290 13.368 1.00 0.00 O ATOM 0 H ASP A 32 1.350 2.020 10.730 1.00 0.00 H new ATOM 0 HA ASP A 32 2.583 4.525 10.492 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.607 1.829 11.456 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.518 3.318 11.616 1.00 0.00 H new ATOM 468 N SER A 33 3.543 2.176 8.436 1.00 0.00 N ATOM 469 CA SER A 33 4.357 1.868 7.272 1.00 0.00 C ATOM 470 C SER A 33 3.930 2.738 6.089 1.00 0.00 C ATOM 471 O SER A 33 4.717 3.539 5.586 1.00 0.00 O ATOM 472 CB SER A 33 4.255 0.386 6.906 1.00 0.00 C ATOM 473 OG SER A 33 5.402 -0.348 7.326 1.00 0.00 O ATOM 0 H SER A 33 2.828 1.481 8.653 1.00 0.00 H new ATOM 0 HA SER A 33 5.397 2.084 7.515 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.363 -0.040 7.366 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.136 0.286 5.827 1.00 0.00 H new ATOM 0 HG SER A 33 5.922 -0.620 6.541 1.00 0.00 H new ATOM 479 N LEU A 34 2.684 2.552 5.678 1.00 0.00 N ATOM 480 CA LEU A 34 2.143 3.310 4.563 1.00 0.00 C ATOM 481 C LEU A 34 2.001 4.778 4.971 1.00 0.00 C ATOM 482 O LEU A 34 1.804 5.646 4.122 1.00 0.00 O ATOM 483 CB LEU A 34 0.838 2.681 4.070 1.00 0.00 C ATOM 484 CG LEU A 34 0.974 1.650 2.947 1.00 0.00 C ATOM 485 CD1 LEU A 34 1.631 2.269 1.712 1.00 0.00 C ATOM 486 CD2 LEU A 34 1.721 0.406 3.431 1.00 0.00 C ATOM 0 H LEU A 34 2.034 1.887 6.097 1.00 0.00 H new ATOM 0 HA LEU A 34 2.826 3.278 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.345 2.204 4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.180 3.479 3.726 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.026 1.330 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.716 1.516 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.022 3.099 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.624 2.635 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.803 -0.310 2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.718 0.689 3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.174 -0.048 4.257 1.00 0.00 H new ATOM 498 N ASP A 35 2.107 5.011 6.271 1.00 0.00 N ATOM 499 CA ASP A 35 1.993 6.358 6.802 1.00 0.00 C ATOM 500 C ASP A 35 2.743 7.328 5.886 1.00 0.00 C ATOM 501 O ASP A 35 2.125 8.083 5.136 1.00 0.00 O ATOM 502 CB ASP A 35 2.610 6.454 8.198 1.00 0.00 C ATOM 503 CG ASP A 35 2.824 7.879 8.715 1.00 0.00 C ATOM 504 OD1 ASP A 35 3.661 8.582 8.110 1.00 0.00 O ATOM 505 OD2 ASP A 35 2.144 8.232 9.703 1.00 0.00 O ATOM 0 H ASP A 35 2.271 4.289 6.972 1.00 0.00 H new ATOM 0 HA ASP A 35 0.934 6.610 6.858 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.968 5.922 8.900 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.570 5.938 8.190 1.00 0.00 H new ATOM 510 N LYS A 36 4.064 7.275 5.976 1.00 0.00 N ATOM 511 CA LYS A 36 4.904 8.139 5.165 1.00 0.00 C ATOM 512 C LYS A 36 4.477 8.030 3.700 1.00 0.00 C ATOM 513 O LYS A 36 4.360 9.039 3.006 1.00 0.00 O ATOM 514 CB LYS A 36 6.383 7.822 5.400 1.00 0.00 C ATOM 515 CG LYS A 36 6.598 6.319 5.587 1.00 0.00 C ATOM 516 CD LYS A 36 7.898 5.864 4.920 1.00 0.00 C ATOM 517 CE LYS A 36 7.797 5.967 3.396 1.00 0.00 C ATOM 518 NZ LYS A 36 8.908 5.231 2.753 1.00 0.00 N ATOM 0 H LYS A 36 4.573 6.647 6.598 1.00 0.00 H new ATOM 0 HA LYS A 36 4.774 9.181 5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.973 8.175 4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.738 8.356 6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.628 6.082 6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.756 5.772 5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.727 6.476 5.275 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.116 4.835 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.842 5.562 3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.823 7.014 3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.825 5.311 1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.816 5.635 3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.865 4.229 3.027 1.00 0.00 H new ATOM 532 N ALA A 37 4.255 6.796 3.272 1.00 0.00 N ATOM 533 CA ALA A 37 3.843 6.541 1.902 1.00 0.00 C ATOM 534 C ALA A 37 2.712 7.500 1.528 1.00 0.00 C ATOM 535 O ALA A 37 2.568 7.872 0.364 1.00 0.00 O ATOM 536 CB ALA A 37 3.436 5.074 1.756 1.00 0.00 C ATOM 0 H ALA A 37 4.353 5.961 3.850 1.00 0.00 H new ATOM 0 HA ALA A 37 4.668 6.720 1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.127 4.883 0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.283 4.435 2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.607 4.857 2.430 1.00 0.00 H new ATOM 542 N LEU A 38 1.938 7.874 2.536 1.00 0.00 N ATOM 543 CA LEU A 38 0.823 8.783 2.327 1.00 0.00 C ATOM 544 C LEU A 38 1.297 10.221 2.544 1.00 0.00 C ATOM 545 O LEU A 38 1.174 11.060 1.652 1.00 0.00 O ATOM 546 CB LEU A 38 -0.363 8.387 3.208 1.00 0.00 C ATOM 547 CG LEU A 38 -0.968 7.007 2.939 1.00 0.00 C ATOM 548 CD1 LEU A 38 -2.270 6.818 3.720 1.00 0.00 C ATOM 549 CD2 LEU A 38 -1.160 6.776 1.439 1.00 0.00 C ATOM 0 H LEU A 38 2.061 7.564 3.500 1.00 0.00 H new ATOM 0 HA LEU A 38 0.464 8.716 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.045 8.425 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.146 9.135 3.086 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.267 6.251 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.679 5.830 3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.071 6.910 4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.989 7.580 3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.591 5.788 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.830 7.536 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.196 6.839 0.935 1.00 0.00 H new ATOM 561 N LYS A 39 1.829 10.463 3.733 1.00 0.00 N ATOM 562 CA LYS A 39 2.321 11.786 4.078 1.00 0.00 C ATOM 563 C LYS A 39 3.135 12.343 2.908 1.00 0.00 C ATOM 564 O LYS A 39 2.888 13.458 2.450 1.00 0.00 O ATOM 565 CB LYS A 39 3.092 11.743 5.399 1.00 0.00 C ATOM 566 CG LYS A 39 2.319 10.958 6.460 1.00 0.00 C ATOM 567 CD LYS A 39 0.825 11.281 6.400 1.00 0.00 C ATOM 568 CE LYS A 39 0.581 12.783 6.556 1.00 0.00 C ATOM 569 NZ LYS A 39 0.617 13.169 7.984 1.00 0.00 N ATOM 0 H LYS A 39 1.930 9.765 4.470 1.00 0.00 H new ATOM 0 HA LYS A 39 1.490 12.471 4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.067 11.283 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.272 12.758 5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.470 9.889 6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.707 11.198 7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.413 10.939 5.450 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.301 10.740 7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.338 13.340 6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.385 13.047 6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.450 14.192 8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.122 12.652 8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.548 12.935 8.383 1.00 0.00 H new ATOM 583 N VAL A 40 4.090 11.542 2.458 1.00 0.00 N ATOM 584 CA VAL A 40 4.942 11.941 1.351 1.00 0.00 C ATOM 585 C VAL A 40 4.107 12.706 0.321 1.00 0.00 C ATOM 586 O VAL A 40 4.512 13.770 -0.143 1.00 0.00 O ATOM 587 CB VAL A 40 5.642 10.715 0.761 1.00 0.00 C ATOM 588 CG1 VAL A 40 4.626 9.732 0.175 1.00 0.00 C ATOM 589 CG2 VAL A 40 6.675 11.126 -0.289 1.00 0.00 C ATOM 0 H VAL A 40 4.292 10.618 2.840 1.00 0.00 H new ATOM 0 HA VAL A 40 5.728 12.612 1.697 1.00 0.00 H new ATOM 0 HB VAL A 40 6.169 10.209 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.150 8.870 -0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.945 9.402 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.058 10.223 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.158 10.236 -0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.179 11.667 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.425 11.769 0.171 1.00 0.00 H new ATOM 599 N ARG A 41 2.958 12.133 -0.005 1.00 0.00 N ATOM 600 CA ARG A 41 2.063 12.748 -0.971 1.00 0.00 C ATOM 601 C ARG A 41 1.115 13.723 -0.271 1.00 0.00 C ATOM 602 O ARG A 41 0.718 14.733 -0.850 1.00 0.00 O ATOM 603 CB ARG A 41 1.242 11.691 -1.711 1.00 0.00 C ATOM 604 CG ARG A 41 2.144 10.784 -2.551 1.00 0.00 C ATOM 605 CD ARG A 41 1.403 10.266 -3.786 1.00 0.00 C ATOM 606 NE ARG A 41 0.738 11.388 -4.485 1.00 0.00 N ATOM 607 CZ ARG A 41 1.347 12.188 -5.371 1.00 0.00 C ATOM 608 NH1 ARG A 41 2.638 11.994 -5.671 1.00 0.00 N ATOM 609 NH2 ARG A 41 0.664 13.181 -5.956 1.00 0.00 N ATOM 0 H ARG A 41 2.626 11.250 0.382 1.00 0.00 H new ATOM 0 HA ARG A 41 2.675 13.288 -1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.684 11.090 -0.993 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.510 12.179 -2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.033 11.334 -2.860 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.484 9.943 -1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.103 9.771 -4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.664 9.521 -3.491 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.246 11.563 -4.280 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.157 11.238 -5.225 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.102 12.603 -6.345 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.319 13.328 -5.727 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.127 13.790 -6.630 1.00 0.00 H new ATOM 623 N GLY A 42 0.779 13.386 0.966 1.00 0.00 N ATOM 624 CA GLY A 42 -0.115 14.219 1.752 1.00 0.00 C ATOM 625 C GLY A 42 -1.461 13.525 1.970 1.00 0.00 C ATOM 626 O GLY A 42 -2.415 14.145 2.437 1.00 0.00 O ATOM 0 H GLY A 42 1.110 12.547 1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.343 14.442 2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.271 15.171 1.245 1.00 0.00 H new ATOM 630 N LEU A 43 -1.495 12.247 1.621 1.00 0.00 N ATOM 631 CA LEU A 43 -2.708 11.462 1.773 1.00 0.00 C ATOM 632 C LEU A 43 -3.008 11.277 3.262 1.00 0.00 C ATOM 633 O LEU A 43 -2.249 11.737 4.113 1.00 0.00 O ATOM 634 CB LEU A 43 -2.595 10.147 1.000 1.00 0.00 C ATOM 635 CG LEU A 43 -2.730 10.248 -0.521 1.00 0.00 C ATOM 636 CD1 LEU A 43 -2.103 9.035 -1.209 1.00 0.00 C ATOM 637 CD2 LEU A 43 -4.192 10.447 -0.929 1.00 0.00 C ATOM 0 H LEU A 43 -0.702 11.736 1.234 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.559 11.988 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.630 9.695 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.362 9.465 1.368 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.179 11.127 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.213 9.132 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.044 8.980 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.604 8.127 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.261 10.516 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.785 9.602 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.573 11.366 -0.482 1.00 0.00 H new ATOM 649 N ASN A 44 -4.116 10.602 3.530 1.00 0.00 N ATOM 650 CA ASN A 44 -4.525 10.350 4.902 1.00 0.00 C ATOM 651 C ASN A 44 -4.883 8.871 5.059 1.00 0.00 C ATOM 652 O ASN A 44 -5.162 8.188 4.075 1.00 0.00 O ATOM 653 CB ASN A 44 -5.759 11.177 5.269 1.00 0.00 C ATOM 654 CG ASN A 44 -5.787 11.483 6.768 1.00 0.00 C ATOM 655 OD1 ASN A 44 -5.302 12.503 7.229 1.00 0.00 O ATOM 656 ND2 ASN A 44 -6.382 10.545 7.500 1.00 0.00 N ATOM 0 H ASN A 44 -4.743 10.222 2.821 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.698 10.625 5.557 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.758 12.109 4.704 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.662 10.635 4.988 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.453 10.656 8.511 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.767 9.715 7.050 1.00 0.00 H new ATOM 663 N GLN A 45 -4.863 8.419 6.305 1.00 0.00 N ATOM 664 CA GLN A 45 -5.182 7.034 6.604 1.00 0.00 C ATOM 665 C GLN A 45 -6.661 6.896 6.970 1.00 0.00 C ATOM 666 O GLN A 45 -7.009 6.173 7.902 1.00 0.00 O ATOM 667 CB GLN A 45 -4.288 6.494 7.722 1.00 0.00 C ATOM 668 CG GLN A 45 -2.908 6.108 7.183 1.00 0.00 C ATOM 669 CD GLN A 45 -1.970 7.317 7.163 1.00 0.00 C ATOM 670 OE1 GLN A 45 -2.164 8.274 6.432 1.00 0.00 O ATOM 671 NE2 GLN A 45 -0.944 7.219 8.004 1.00 0.00 N ATOM 0 H GLN A 45 -4.631 8.988 7.119 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.992 6.438 5.712 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.180 7.248 8.502 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.759 5.625 8.181 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.479 5.320 7.802 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.007 5.703 6.176 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.841 6.389 8.588 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.260 7.974 8.065 1.00 0.00 H new ATOM 680 N ASP A 46 -7.492 7.603 6.218 1.00 0.00 N ATOM 681 CA ASP A 46 -8.925 7.569 6.451 1.00 0.00 C ATOM 682 C ASP A 46 -9.657 7.552 5.108 1.00 0.00 C ATOM 683 O ASP A 46 -10.571 6.755 4.904 1.00 0.00 O ATOM 684 CB ASP A 46 -9.387 8.806 7.225 1.00 0.00 C ATOM 685 CG ASP A 46 -10.621 8.595 8.105 1.00 0.00 C ATOM 686 OD1 ASP A 46 -10.449 8.001 9.191 1.00 0.00 O ATOM 687 OD2 ASP A 46 -11.708 9.032 7.670 1.00 0.00 O ATOM 0 H ASP A 46 -7.200 8.203 5.447 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.150 6.674 7.032 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.566 9.150 7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.599 9.603 6.513 1.00 0.00 H new ATOM 692 N CYS A 47 -9.226 8.442 4.225 1.00 0.00 N ATOM 693 CA CYS A 47 -9.829 8.539 2.906 1.00 0.00 C ATOM 694 C CYS A 47 -8.905 7.845 1.903 1.00 0.00 C ATOM 695 O CYS A 47 -8.819 8.254 0.747 1.00 0.00 O ATOM 696 CB CYS A 47 -10.104 9.993 2.516 1.00 0.00 C ATOM 697 SG CYS A 47 -11.553 10.624 3.439 1.00 0.00 S ATOM 0 H CYS A 47 -8.467 9.102 4.397 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.799 8.042 2.909 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.230 10.608 2.731 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.287 10.062 1.444 1.00 0.00 H new ATOM 0 HG CYS A 47 -11.777 11.860 3.103 1.00 0.00 H new ATOM 703 N CYS A 48 -8.237 6.806 2.384 1.00 0.00 N ATOM 704 CA CYS A 48 -7.323 6.051 1.544 1.00 0.00 C ATOM 705 C CYS A 48 -7.461 4.568 1.895 1.00 0.00 C ATOM 706 O CYS A 48 -7.799 4.224 3.027 1.00 0.00 O ATOM 707 CB CYS A 48 -5.881 6.541 1.694 1.00 0.00 C ATOM 708 SG CYS A 48 -5.728 8.243 1.039 1.00 0.00 S ATOM 0 H CYS A 48 -8.311 6.470 3.344 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.581 6.201 0.496 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.588 6.519 2.744 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.204 5.874 1.160 1.00 0.00 H new ATOM 0 HG CYS A 48 -6.894 8.664 0.648 1.00 0.00 H new ATOM 714 N VAL A 49 -7.193 3.730 0.904 1.00 0.00 N ATOM 715 CA VAL A 49 -7.283 2.293 1.095 1.00 0.00 C ATOM 716 C VAL A 49 -6.090 1.617 0.416 1.00 0.00 C ATOM 717 O VAL A 49 -5.585 2.108 -0.593 1.00 0.00 O ATOM 718 CB VAL A 49 -8.631 1.781 0.583 1.00 0.00 C ATOM 719 CG1 VAL A 49 -8.930 2.326 -0.816 1.00 0.00 C ATOM 720 CG2 VAL A 49 -8.678 0.251 0.597 1.00 0.00 C ATOM 0 H VAL A 49 -6.914 4.019 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.237 2.045 2.155 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.406 2.146 1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.894 1.947 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.960 3.415 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.150 2.005 -1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.647 -0.087 0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.889 -0.143 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.532 -0.108 1.616 1.00 0.00 H new ATOM 730 N VAL A 50 -5.674 0.501 0.996 1.00 0.00 N ATOM 731 CA VAL A 50 -4.550 -0.247 0.460 1.00 0.00 C ATOM 732 C VAL A 50 -5.027 -1.635 0.027 1.00 0.00 C ATOM 733 O VAL A 50 -5.613 -2.370 0.821 1.00 0.00 O ATOM 734 CB VAL A 50 -3.417 -0.298 1.487 1.00 0.00 C ATOM 735 CG1 VAL A 50 -2.161 -0.931 0.887 1.00 0.00 C ATOM 736 CG2 VAL A 50 -3.118 1.096 2.041 1.00 0.00 C ATOM 0 H VAL A 50 -6.095 0.097 1.832 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.148 0.249 -0.423 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.744 -0.925 2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.371 -0.955 1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.385 -1.948 0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.830 -0.342 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.309 1.032 2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.821 1.756 1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.010 1.495 2.524 1.00 0.00 H new ATOM 746 N TYR A 51 -4.758 -1.953 -1.231 1.00 0.00 N ATOM 747 CA TYR A 51 -5.152 -3.240 -1.779 1.00 0.00 C ATOM 748 C TYR A 51 -3.948 -4.176 -1.899 1.00 0.00 C ATOM 749 O TYR A 51 -2.857 -3.746 -2.269 1.00 0.00 O ATOM 750 CB TYR A 51 -5.701 -2.952 -3.178 1.00 0.00 C ATOM 751 CG TYR A 51 -6.602 -1.718 -3.251 1.00 0.00 C ATOM 752 CD1 TYR A 51 -7.612 -1.545 -2.327 1.00 0.00 C ATOM 753 CD2 TYR A 51 -6.404 -0.777 -4.241 1.00 0.00 C ATOM 754 CE1 TYR A 51 -8.460 -0.383 -2.396 1.00 0.00 C ATOM 755 CE2 TYR A 51 -7.252 0.385 -4.310 1.00 0.00 C ATOM 756 CZ TYR A 51 -8.238 0.524 -3.384 1.00 0.00 C ATOM 757 OH TYR A 51 -9.039 1.621 -3.449 1.00 0.00 O ATOM 0 H TYR A 51 -4.272 -1.341 -1.887 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.885 -3.724 -1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.865 -2.820 -3.865 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.263 -3.820 -3.523 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.767 -2.281 -1.552 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.613 -0.912 -4.964 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.254 -0.236 -1.679 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.108 1.129 -5.080 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.248 1.819 -4.386 1.00 0.00 H new ATOM 767 N ARG A 52 -4.187 -5.439 -1.579 1.00 0.00 N ATOM 768 CA ARG A 52 -3.136 -6.441 -1.646 1.00 0.00 C ATOM 769 C ARG A 52 -3.340 -7.343 -2.865 1.00 0.00 C ATOM 770 O ARG A 52 -4.453 -7.797 -3.126 1.00 0.00 O ATOM 771 CB ARG A 52 -3.113 -7.301 -0.382 1.00 0.00 C ATOM 772 CG ARG A 52 -3.272 -6.438 0.872 1.00 0.00 C ATOM 773 CD ARG A 52 -2.451 -7.002 2.033 1.00 0.00 C ATOM 774 NE ARG A 52 -2.918 -8.366 2.367 1.00 0.00 N ATOM 775 CZ ARG A 52 -2.318 -9.489 1.947 1.00 0.00 C ATOM 776 NH1 ARG A 52 -1.226 -9.416 1.174 1.00 0.00 N ATOM 777 NH2 ARG A 52 -2.812 -10.684 2.299 1.00 0.00 N ATOM 0 H ARG A 52 -5.094 -5.792 -1.272 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.184 -5.917 -1.732 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.915 -8.038 -0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.175 -7.854 -0.331 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.953 -5.418 0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.324 -6.391 1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.395 -7.026 1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.544 -6.353 2.904 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.748 -8.457 2.953 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.851 -8.506 0.905 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.769 -10.270 0.854 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.644 -10.739 2.886 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.356 -11.539 1.980 1.00 0.00 H new ATOM 791 N LEU A 53 -2.248 -7.576 -3.579 1.00 0.00 N ATOM 792 CA LEU A 53 -2.293 -8.415 -4.763 1.00 0.00 C ATOM 793 C LEU A 53 -2.234 -9.886 -4.344 1.00 0.00 C ATOM 794 O LEU A 53 -1.170 -10.390 -3.987 1.00 0.00 O ATOM 795 CB LEU A 53 -1.194 -8.012 -5.748 1.00 0.00 C ATOM 796 CG LEU A 53 -1.630 -7.118 -6.911 1.00 0.00 C ATOM 797 CD1 LEU A 53 -1.888 -7.945 -8.172 1.00 0.00 C ATOM 798 CD2 LEU A 53 -2.842 -6.268 -6.524 1.00 0.00 C ATOM 0 H LEU A 53 -1.327 -7.198 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.234 -8.272 -5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.409 -7.497 -5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.752 -8.919 -6.159 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.815 -6.431 -7.139 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.196 -7.285 -8.983 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.975 -8.468 -8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.676 -8.672 -7.976 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.132 -5.642 -7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.673 -6.920 -6.254 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.586 -5.636 -5.674 1.00 0.00 H new ATOM 810 N ILE A 54 -3.390 -10.531 -4.400 1.00 0.00 N ATOM 811 CA ILE A 54 -3.482 -11.933 -4.030 1.00 0.00 C ATOM 812 C ILE A 54 -4.064 -12.728 -5.201 1.00 0.00 C ATOM 813 O ILE A 54 -5.256 -12.633 -5.490 1.00 0.00 O ATOM 814 CB ILE A 54 -4.269 -12.093 -2.728 1.00 0.00 C ATOM 815 CG1 ILE A 54 -3.438 -11.641 -1.526 1.00 0.00 C ATOM 816 CG2 ILE A 54 -4.778 -13.527 -2.567 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.962 -10.319 -0.962 1.00 0.00 C ATOM 0 H ILE A 54 -4.270 -10.109 -4.696 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.491 -12.339 -3.829 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.144 -11.445 -2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.466 -12.407 -0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.396 -11.526 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.334 -13.613 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.431 -13.777 -3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.932 -14.214 -2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.353 -10.021 -0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.910 -9.549 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.997 -10.444 -0.643 1.00 0.00 H new ATOM 829 N LYS A 55 -3.194 -13.493 -5.845 1.00 0.00 N ATOM 830 CA LYS A 55 -3.607 -14.304 -6.978 1.00 0.00 C ATOM 831 C LYS A 55 -3.724 -13.416 -8.219 1.00 0.00 C ATOM 832 O LYS A 55 -3.102 -13.691 -9.244 1.00 0.00 O ATOM 833 CB LYS A 55 -4.888 -15.073 -6.649 1.00 0.00 C ATOM 834 CG LYS A 55 -4.663 -16.582 -6.751 1.00 0.00 C ATOM 835 CD LYS A 55 -4.434 -17.197 -5.369 1.00 0.00 C ATOM 836 CE LYS A 55 -2.940 -17.350 -5.077 1.00 0.00 C ATOM 837 NZ LYS A 55 -2.610 -16.778 -3.753 1.00 0.00 N ATOM 0 H LYS A 55 -2.206 -13.568 -5.604 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.856 -15.063 -7.197 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.221 -14.819 -5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.682 -14.773 -7.333 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.526 -17.051 -7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.803 -16.783 -7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.895 -16.569 -4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.920 -18.171 -5.316 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.664 -18.404 -5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.359 -16.849 -5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.592 -16.890 -3.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.855 -15.767 -3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.151 -17.274 -3.016 1.00 0.00 H new ATOM 851 N GLY A 56 -4.525 -12.369 -8.085 1.00 0.00 N ATOM 852 CA GLY A 56 -4.731 -11.439 -9.183 1.00 0.00 C ATOM 853 C GLY A 56 -5.959 -10.561 -8.934 1.00 0.00 C ATOM 854 O GLY A 56 -6.726 -10.284 -9.855 1.00 0.00 O ATOM 0 H GLY A 56 -5.039 -12.144 -7.233 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.848 -10.811 -9.303 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.857 -11.992 -10.114 1.00 0.00 H new ATOM 858 N ARG A 57 -6.107 -10.147 -7.684 1.00 0.00 N ATOM 859 CA ARG A 57 -7.228 -9.306 -7.302 1.00 0.00 C ATOM 860 C ARG A 57 -6.828 -8.376 -6.155 1.00 0.00 C ATOM 861 O ARG A 57 -5.933 -8.697 -5.374 1.00 0.00 O ATOM 862 CB ARG A 57 -8.428 -10.151 -6.869 1.00 0.00 C ATOM 863 CG ARG A 57 -8.070 -11.043 -5.679 1.00 0.00 C ATOM 864 CD ARG A 57 -8.953 -10.726 -4.470 1.00 0.00 C ATOM 865 NE ARG A 57 -9.080 -11.922 -3.609 1.00 0.00 N ATOM 866 CZ ARG A 57 -9.941 -12.924 -3.837 1.00 0.00 C ATOM 867 NH1 ARG A 57 -10.754 -12.879 -4.901 1.00 0.00 N ATOM 868 NH2 ARG A 57 -9.987 -13.970 -3.001 1.00 0.00 N ATOM 0 H ARG A 57 -5.469 -10.379 -6.923 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.510 -8.714 -8.173 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.259 -9.498 -6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.763 -10.768 -7.703 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.189 -12.090 -5.956 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.022 -10.901 -5.416 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.522 -9.902 -3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.939 -10.402 -4.804 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.475 -11.989 -2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.718 -12.083 -5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.409 -13.641 -5.075 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.367 -14.004 -2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.642 -14.733 -3.174 1.00 0.00 H new ATOM 882 N LYS A 58 -7.510 -7.242 -6.089 1.00 0.00 N ATOM 883 CA LYS A 58 -7.237 -6.263 -5.051 1.00 0.00 C ATOM 884 C LYS A 58 -7.887 -6.718 -3.743 1.00 0.00 C ATOM 885 O LYS A 58 -9.112 -6.763 -3.638 1.00 0.00 O ATOM 886 CB LYS A 58 -7.673 -4.868 -5.502 1.00 0.00 C ATOM 887 CG LYS A 58 -6.616 -4.228 -6.405 1.00 0.00 C ATOM 888 CD LYS A 58 -6.971 -4.414 -7.881 1.00 0.00 C ATOM 889 CE LYS A 58 -6.358 -3.304 -8.737 1.00 0.00 C ATOM 890 NZ LYS A 58 -6.161 -3.770 -10.128 1.00 0.00 N ATOM 0 H LYS A 58 -8.252 -6.979 -6.738 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.165 -6.192 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.621 -4.934 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.842 -4.236 -4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.534 -3.165 -6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.642 -4.673 -6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.612 -5.384 -8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.054 -4.414 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.009 -2.429 -8.729 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.403 -2.995 -8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.744 -3.004 -10.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.522 -4.591 -10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.078 -4.043 -10.536 1.00 0.00 H new ATOM 904 N THR A 59 -7.039 -7.044 -2.779 1.00 0.00 N ATOM 905 CA THR A 59 -7.516 -7.494 -1.483 1.00 0.00 C ATOM 906 C THR A 59 -7.318 -6.400 -0.432 1.00 0.00 C ATOM 907 O THR A 59 -6.207 -6.192 0.052 1.00 0.00 O ATOM 908 CB THR A 59 -6.796 -8.801 -1.142 1.00 0.00 C ATOM 909 OG1 THR A 59 -7.655 -9.815 -1.656 1.00 0.00 O ATOM 910 CG2 THR A 59 -6.758 -9.073 0.364 1.00 0.00 C ATOM 0 H THR A 59 -6.024 -7.005 -2.870 1.00 0.00 H new ATOM 0 HA THR A 59 -8.588 -7.691 -1.503 1.00 0.00 H new ATOM 0 HB THR A 59 -5.778 -8.767 -1.531 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.263 -10.696 -1.480 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.236 -10.012 0.551 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.234 -8.260 0.867 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.776 -9.141 0.747 1.00 0.00 H new ATOM 918 N VAL A 60 -8.414 -5.728 -0.111 1.00 0.00 N ATOM 919 CA VAL A 60 -8.375 -4.659 0.873 1.00 0.00 C ATOM 920 C VAL A 60 -7.608 -5.136 2.107 1.00 0.00 C ATOM 921 O VAL A 60 -7.785 -6.269 2.554 1.00 0.00 O ATOM 922 CB VAL A 60 -9.796 -4.193 1.196 1.00 0.00 C ATOM 923 CG1 VAL A 60 -9.799 -3.220 2.376 1.00 0.00 C ATOM 924 CG2 VAL A 60 -10.461 -3.568 -0.033 1.00 0.00 C ATOM 0 H VAL A 60 -9.334 -5.903 -0.515 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.846 -3.793 0.475 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.379 -5.068 1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.821 -2.904 2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.385 -3.713 3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.193 -2.348 2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.470 -3.245 0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.878 -2.708 -0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.509 -4.305 -0.835 1.00 0.00 H new ATOM 934 N THR A 61 -6.770 -4.249 2.624 1.00 0.00 N ATOM 935 CA THR A 61 -5.975 -4.565 3.798 1.00 0.00 C ATOM 936 C THR A 61 -6.416 -3.710 4.987 1.00 0.00 C ATOM 937 O THR A 61 -7.100 -2.703 4.812 1.00 0.00 O ATOM 938 CB THR A 61 -4.500 -4.383 3.433 1.00 0.00 C ATOM 939 OG1 THR A 61 -3.811 -5.252 4.328 1.00 0.00 O ATOM 940 CG2 THR A 61 -3.976 -2.991 3.789 1.00 0.00 C ATOM 0 H THR A 61 -6.625 -3.311 2.251 1.00 0.00 H new ATOM 0 HA THR A 61 -6.123 -5.599 4.109 1.00 0.00 H new ATOM 0 HB THR A 61 -4.366 -4.559 2.366 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.921 -4.888 4.516 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.925 -2.915 3.509 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.550 -2.237 3.250 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.079 -2.827 4.862 1.00 0.00 H new ATOM 948 N ALA A 62 -6.008 -4.144 6.171 1.00 0.00 N ATOM 949 CA ALA A 62 -6.352 -3.431 7.389 1.00 0.00 C ATOM 950 C ALA A 62 -5.151 -2.601 7.847 1.00 0.00 C ATOM 951 O ALA A 62 -4.017 -3.077 7.820 1.00 0.00 O ATOM 952 CB ALA A 62 -6.811 -4.430 8.453 1.00 0.00 C ATOM 0 H ALA A 62 -5.442 -4.981 6.312 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.178 -2.743 7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.069 -3.895 9.367 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.685 -4.972 8.091 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.007 -5.136 8.661 1.00 0.00 H new ATOM 958 N TRP A 63 -5.441 -1.375 8.256 1.00 0.00 N ATOM 959 CA TRP A 63 -4.398 -0.475 8.720 1.00 0.00 C ATOM 960 C TRP A 63 -3.780 -1.078 9.982 1.00 0.00 C ATOM 961 O TRP A 63 -2.620 -0.814 10.297 1.00 0.00 O ATOM 962 CB TRP A 63 -4.949 0.935 8.939 1.00 0.00 C ATOM 963 CG TRP A 63 -5.401 1.633 7.654 1.00 0.00 C ATOM 964 CD1 TRP A 63 -6.646 1.975 7.296 1.00 0.00 C ATOM 965 CD2 TRP A 63 -4.556 2.064 6.567 1.00 0.00 C ATOM 966 NE1 TRP A 63 -6.665 2.592 6.061 1.00 0.00 N ATOM 967 CE2 TRP A 63 -5.354 2.647 5.604 1.00 0.00 C ATOM 968 CE3 TRP A 63 -3.163 1.963 6.402 1.00 0.00 C ATOM 969 CZ2 TRP A 63 -4.851 3.176 4.409 1.00 0.00 C ATOM 970 CZ3 TRP A 63 -2.677 2.496 5.202 1.00 0.00 C ATOM 971 CH2 TRP A 63 -3.467 3.087 4.223 1.00 0.00 C ATOM 0 H TRP A 63 -6.383 -0.983 8.276 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.617 -0.369 7.967 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.792 0.882 9.627 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.183 1.543 9.420 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.524 1.791 7.898 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.490 2.943 5.574 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.519 1.510 7.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -5.497 3.628 3.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.613 2.444 5.025 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.015 3.476 3.323 1.00 0.00 H new ATOM 982 N ASP A 64 -4.581 -1.877 10.672 1.00 0.00 N ATOM 983 CA ASP A 64 -4.126 -2.519 11.893 1.00 0.00 C ATOM 984 C ASP A 64 -3.140 -3.635 11.541 1.00 0.00 C ATOM 985 O ASP A 64 -2.144 -3.830 12.237 1.00 0.00 O ATOM 986 CB ASP A 64 -5.297 -3.146 12.654 1.00 0.00 C ATOM 987 CG ASP A 64 -5.121 -3.210 14.173 1.00 0.00 C ATOM 988 OD1 ASP A 64 -4.399 -2.334 14.698 1.00 0.00 O ATOM 989 OD2 ASP A 64 -5.712 -4.132 14.774 1.00 0.00 O ATOM 0 H ASP A 64 -5.542 -2.094 10.408 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.654 -1.760 12.517 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.201 -2.579 12.432 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.455 -4.157 12.279 1.00 0.00 H new ATOM 994 N THR A 65 -3.451 -4.337 10.462 1.00 0.00 N ATOM 995 CA THR A 65 -2.604 -5.427 10.009 1.00 0.00 C ATOM 996 C THR A 65 -1.128 -5.059 10.170 1.00 0.00 C ATOM 997 O THR A 65 -0.785 -3.881 10.257 1.00 0.00 O ATOM 998 CB THR A 65 -2.993 -5.761 8.567 1.00 0.00 C ATOM 999 OG1 THR A 65 -4.413 -5.873 8.608 1.00 0.00 O ATOM 1000 CG2 THR A 65 -2.522 -7.153 8.141 1.00 0.00 C ATOM 0 H THR A 65 -4.278 -4.172 9.888 1.00 0.00 H new ATOM 0 HA THR A 65 -2.752 -6.320 10.616 1.00 0.00 H new ATOM 0 HB THR A 65 -2.571 -5.014 7.895 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.730 -6.314 7.792 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.824 -7.340 7.110 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.436 -7.209 8.217 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.970 -7.904 8.792 1.00 0.00 H new ATOM 1008 N ALA A 66 -0.294 -6.088 10.204 1.00 0.00 N ATOM 1009 CA ALA A 66 1.137 -5.887 10.353 1.00 0.00 C ATOM 1010 C ALA A 66 1.766 -5.688 8.973 1.00 0.00 C ATOM 1011 O ALA A 66 1.081 -5.779 7.956 1.00 0.00 O ATOM 1012 CB ALA A 66 1.744 -7.073 11.106 1.00 0.00 C ATOM 0 H ALA A 66 -0.582 -7.064 10.131 1.00 0.00 H new ATOM 0 HA ALA A 66 1.340 -4.991 10.940 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.818 -6.922 11.218 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.284 -7.152 12.091 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.563 -7.991 10.546 1.00 0.00 H new ATOM 1018 N ILE A 67 3.064 -5.422 8.982 1.00 0.00 N ATOM 1019 CA ILE A 67 3.793 -5.210 7.743 1.00 0.00 C ATOM 1020 C ILE A 67 4.863 -6.294 7.594 1.00 0.00 C ATOM 1021 O ILE A 67 5.637 -6.280 6.639 1.00 0.00 O ATOM 1022 CB ILE A 67 4.350 -3.786 7.686 1.00 0.00 C ATOM 1023 CG1 ILE A 67 4.801 -3.430 6.268 1.00 0.00 C ATOM 1024 CG2 ILE A 67 5.470 -3.593 8.710 1.00 0.00 C ATOM 1025 CD1 ILE A 67 3.680 -2.736 5.493 1.00 0.00 C ATOM 0 H ILE A 67 3.630 -5.348 9.828 1.00 0.00 H new ATOM 0 HA ILE A 67 3.124 -5.301 6.887 1.00 0.00 H new ATOM 0 HB ILE A 67 3.550 -3.096 7.952 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.674 -2.779 6.313 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.105 -4.335 5.742 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.848 -2.572 8.648 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.082 -3.776 9.712 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.279 -4.293 8.501 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.028 -2.494 4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.818 -3.399 5.428 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.395 -1.819 6.009 1.00 0.00 H new ATOM 1037 N ALA A 68 4.871 -7.208 8.553 1.00 0.00 N ATOM 1038 CA ALA A 68 5.832 -8.298 8.541 1.00 0.00 C ATOM 1039 C ALA A 68 5.393 -9.348 7.518 1.00 0.00 C ATOM 1040 O ALA A 68 6.154 -9.698 6.617 1.00 0.00 O ATOM 1041 CB ALA A 68 5.966 -8.877 9.951 1.00 0.00 C ATOM 0 H ALA A 68 4.227 -7.216 9.344 1.00 0.00 H new ATOM 0 HA ALA A 68 6.817 -7.938 8.242 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.687 -9.695 9.942 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.309 -8.099 10.633 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.998 -9.251 10.284 1.00 0.00 H new ATOM 1047 N PRO A 69 4.136 -9.833 7.696 1.00 0.00 N ATOM 1048 CA PRO A 69 3.586 -10.836 6.800 1.00 0.00 C ATOM 1049 C PRO A 69 3.194 -10.215 5.458 1.00 0.00 C ATOM 1050 O PRO A 69 2.052 -10.346 5.020 1.00 0.00 O ATOM 1051 CB PRO A 69 2.404 -11.428 7.549 1.00 0.00 C ATOM 1052 CG PRO A 69 2.052 -10.423 8.633 1.00 0.00 C ATOM 1053 CD PRO A 69 3.206 -9.442 8.752 1.00 0.00 C ATOM 0 HA PRO A 69 4.307 -11.613 6.545 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.560 -11.592 6.879 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.660 -12.395 7.981 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.130 -9.899 8.382 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.883 -10.930 9.583 1.00 0.00 H new ATOM 0 HD2 PRO A 69 2.867 -8.414 8.621 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.675 -9.500 9.734 1.00 0.00 H new ATOM 1061 N LEU A 70 4.163 -9.554 4.842 1.00 0.00 N ATOM 1062 CA LEU A 70 3.933 -8.913 3.559 1.00 0.00 C ATOM 1063 C LEU A 70 5.229 -8.928 2.746 1.00 0.00 C ATOM 1064 O LEU A 70 5.436 -8.075 1.884 1.00 0.00 O ATOM 1065 CB LEU A 70 3.347 -7.513 3.756 1.00 0.00 C ATOM 1066 CG LEU A 70 1.833 -7.442 3.963 1.00 0.00 C ATOM 1067 CD1 LEU A 70 1.101 -8.343 2.966 1.00 0.00 C ATOM 1068 CD2 LEU A 70 1.462 -7.768 5.411 1.00 0.00 C ATOM 0 H LEU A 70 5.109 -9.449 5.208 1.00 0.00 H new ATOM 0 HA LEU A 70 3.190 -9.467 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.833 -7.055 4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.603 -6.908 2.886 1.00 0.00 H new ATOM 0 HG LEU A 70 1.509 -6.419 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.026 -8.274 3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.330 -8.023 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.424 -9.375 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.380 -7.710 5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.801 -8.775 5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.940 -7.052 6.079 1.00 0.00 H new ATOM 1080 N ASP A 71 6.069 -9.907 3.050 1.00 0.00 N ATOM 1081 CA ASP A 71 7.339 -10.044 2.358 1.00 0.00 C ATOM 1082 C ASP A 71 7.091 -10.581 0.947 1.00 0.00 C ATOM 1083 O ASP A 71 6.415 -11.594 0.774 1.00 0.00 O ATOM 1084 CB ASP A 71 8.257 -11.029 3.085 1.00 0.00 C ATOM 1085 CG ASP A 71 9.470 -11.499 2.277 1.00 0.00 C ATOM 1086 OD1 ASP A 71 10.381 -10.666 2.086 1.00 0.00 O ATOM 1087 OD2 ASP A 71 9.457 -12.680 1.870 1.00 0.00 O ATOM 0 H ASP A 71 5.895 -10.612 3.766 1.00 0.00 H new ATOM 0 HA ASP A 71 7.814 -9.064 2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.610 -10.562 4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.672 -11.902 3.375 1.00 0.00 H new ATOM 1092 N GLY A 72 7.652 -9.878 -0.026 1.00 0.00 N ATOM 1093 CA GLY A 72 7.501 -10.271 -1.416 1.00 0.00 C ATOM 1094 C GLY A 72 6.050 -10.112 -1.876 1.00 0.00 C ATOM 1095 O GLY A 72 5.346 -11.101 -2.075 1.00 0.00 O ATOM 0 H GLY A 72 8.212 -9.038 0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.154 -9.663 -2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.814 -11.307 -1.541 1.00 0.00 H new ATOM 1099 N GLU A 73 5.646 -8.860 -2.031 1.00 0.00 N ATOM 1100 CA GLU A 73 4.292 -8.559 -2.464 1.00 0.00 C ATOM 1101 C GLU A 73 4.203 -7.114 -2.960 1.00 0.00 C ATOM 1102 O GLU A 73 5.217 -6.426 -3.065 1.00 0.00 O ATOM 1103 CB GLU A 73 3.287 -8.815 -1.339 1.00 0.00 C ATOM 1104 CG GLU A 73 3.499 -7.838 -0.181 1.00 0.00 C ATOM 1105 CD GLU A 73 2.692 -6.555 -0.391 1.00 0.00 C ATOM 1106 OE1 GLU A 73 1.665 -6.640 -1.099 1.00 0.00 O ATOM 1107 OE2 GLU A 73 3.120 -5.518 0.160 1.00 0.00 O ATOM 0 H GLU A 73 6.232 -8.042 -1.865 1.00 0.00 H new ATOM 0 HA GLU A 73 4.039 -9.223 -3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.272 -8.714 -1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.391 -9.839 -0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.202 -8.309 0.756 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.558 -7.596 -0.094 1.00 0.00 H new ATOM 1114 N GLU A 74 2.979 -6.697 -3.253 1.00 0.00 N ATOM 1115 CA GLU A 74 2.744 -5.347 -3.736 1.00 0.00 C ATOM 1116 C GLU A 74 1.363 -4.859 -3.296 1.00 0.00 C ATOM 1117 O GLU A 74 0.368 -5.561 -3.472 1.00 0.00 O ATOM 1118 CB GLU A 74 2.892 -5.276 -5.257 1.00 0.00 C ATOM 1119 CG GLU A 74 4.287 -4.785 -5.650 1.00 0.00 C ATOM 1120 CD GLU A 74 4.675 -5.291 -7.041 1.00 0.00 C ATOM 1121 OE1 GLU A 74 5.039 -6.484 -7.130 1.00 0.00 O ATOM 1122 OE2 GLU A 74 4.598 -4.474 -7.984 1.00 0.00 O ATOM 0 H GLU A 74 2.140 -7.271 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 74 3.496 -4.689 -3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.714 -6.260 -5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.137 -4.606 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.310 -3.695 -5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.017 -5.129 -4.917 1.00 0.00 H new ATOM 1129 N LEU A 75 1.346 -3.660 -2.732 1.00 0.00 N ATOM 1130 CA LEU A 75 0.103 -3.070 -2.266 1.00 0.00 C ATOM 1131 C LEU A 75 -0.239 -1.859 -3.135 1.00 0.00 C ATOM 1132 O LEU A 75 0.651 -1.216 -3.689 1.00 0.00 O ATOM 1133 CB LEU A 75 0.189 -2.750 -0.772 1.00 0.00 C ATOM 1134 CG LEU A 75 0.575 -3.915 0.142 1.00 0.00 C ATOM 1135 CD1 LEU A 75 1.388 -3.425 1.342 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -0.662 -4.707 0.573 1.00 0.00 C ATOM 0 H LEU A 75 2.173 -3.081 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.718 -3.780 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.915 -1.949 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.777 -2.364 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 75 1.213 -4.595 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.649 -4.273 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.299 -2.940 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.796 -2.712 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.360 -5.529 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.344 -4.051 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.164 -5.106 -0.308 1.00 0.00 H new ATOM 1148 N ILE A 76 -1.532 -1.583 -3.227 1.00 0.00 N ATOM 1149 CA ILE A 76 -2.003 -0.460 -4.020 1.00 0.00 C ATOM 1150 C ILE A 76 -2.739 0.527 -3.111 1.00 0.00 C ATOM 1151 O ILE A 76 -3.799 0.210 -2.574 1.00 0.00 O ATOM 1152 CB ILE A 76 -2.843 -0.952 -5.200 1.00 0.00 C ATOM 1153 CG1 ILE A 76 -1.967 -1.646 -6.245 1.00 0.00 C ATOM 1154 CG2 ILE A 76 -3.661 0.191 -5.806 1.00 0.00 C ATOM 1155 CD1 ILE A 76 -2.824 -2.338 -7.307 1.00 0.00 C ATOM 0 H ILE A 76 -2.268 -2.118 -2.766 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.161 0.076 -4.459 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.551 -1.693 -4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.313 -0.915 -6.720 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.324 -2.379 -5.757 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.249 -0.186 -6.643 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.329 0.601 -5.049 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.988 0.973 -6.158 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.177 -2.823 -8.037 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.459 -3.086 -6.832 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.448 -1.599 -7.810 1.00 0.00 H new ATOM 1167 N VAL A 77 -2.147 1.704 -2.968 1.00 0.00 N ATOM 1168 CA VAL A 77 -2.732 2.739 -2.133 1.00 0.00 C ATOM 1169 C VAL A 77 -3.580 3.670 -3.003 1.00 0.00 C ATOM 1170 O VAL A 77 -3.083 4.246 -3.969 1.00 0.00 O ATOM 1171 CB VAL A 77 -1.633 3.476 -1.364 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -2.228 4.554 -0.456 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -0.774 2.496 -0.563 1.00 0.00 C ATOM 0 H VAL A 77 -1.268 1.964 -3.416 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.393 2.299 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.988 3.970 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.426 5.063 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.776 5.277 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.906 4.092 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.001 3.045 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.401 1.961 0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.307 1.782 -1.242 1.00 0.00 H new ATOM 1183 N GLU A 78 -4.845 3.788 -2.627 1.00 0.00 N ATOM 1184 CA GLU A 78 -5.767 4.639 -3.361 1.00 0.00 C ATOM 1185 C GLU A 78 -6.583 5.498 -2.392 1.00 0.00 C ATOM 1186 O GLU A 78 -6.511 5.309 -1.179 1.00 0.00 O ATOM 1187 CB GLU A 78 -6.683 3.808 -4.261 1.00 0.00 C ATOM 1188 CG GLU A 78 -6.190 3.825 -5.710 1.00 0.00 C ATOM 1189 CD GLU A 78 -7.251 4.410 -6.643 1.00 0.00 C ATOM 1190 OE1 GLU A 78 -7.825 5.455 -6.266 1.00 0.00 O ATOM 1191 OE2 GLU A 78 -7.466 3.800 -7.713 1.00 0.00 O ATOM 0 H GLU A 78 -5.253 3.309 -1.824 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.186 5.301 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.721 2.781 -3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.699 4.201 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.275 4.413 -5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.942 2.812 -6.025 1.00 0.00 H new ATOM 1198 N VAL A 79 -7.339 6.422 -2.964 1.00 0.00 N ATOM 1199 CA VAL A 79 -8.168 7.310 -2.166 1.00 0.00 C ATOM 1200 C VAL A 79 -9.607 6.791 -2.162 1.00 0.00 C ATOM 1201 O VAL A 79 -10.154 6.459 -3.213 1.00 0.00 O ATOM 1202 CB VAL A 79 -8.050 8.744 -2.687 1.00 0.00 C ATOM 1203 CG1 VAL A 79 -8.954 9.691 -1.894 1.00 0.00 C ATOM 1204 CG2 VAL A 79 -6.597 9.221 -2.657 1.00 0.00 C ATOM 0 H VAL A 79 -7.396 6.576 -3.971 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.826 7.325 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.383 8.752 -3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.851 10.704 -2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.991 9.369 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.664 9.676 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.542 10.243 -3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.225 9.190 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.987 8.571 -3.284 1.00 0.00 H new ATOM 1214 N LEU A 80 -10.180 6.738 -0.969 1.00 0.00 N ATOM 1215 CA LEU A 80 -11.545 6.265 -0.815 1.00 0.00 C ATOM 1216 C LEU A 80 -12.479 7.131 -1.664 1.00 0.00 C ATOM 1217 O LEU A 80 -13.052 6.656 -2.643 1.00 0.00 O ATOM 1218 CB LEU A 80 -11.931 6.214 0.665 1.00 0.00 C ATOM 1219 CG LEU A 80 -11.464 4.978 1.437 1.00 0.00 C ATOM 1220 CD1 LEU A 80 -11.808 5.098 2.923 1.00 0.00 C ATOM 1221 CD2 LEU A 80 -12.032 3.699 0.819 1.00 0.00 C ATOM 0 H LEU A 80 -9.724 7.015 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.637 5.242 -1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.527 7.099 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.017 6.276 0.739 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.378 4.918 1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.465 4.207 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.317 5.977 3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.887 5.196 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.685 2.835 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.121 3.736 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.695 3.613 -0.214 1.00 0.00 H new ATOM 1233 N SER A 81 -12.603 8.386 -1.257 1.00 0.00 N ATOM 1234 CA SER A 81 -13.457 9.322 -1.968 1.00 0.00 C ATOM 1235 C SER A 81 -12.741 9.840 -3.217 1.00 0.00 C ATOM 1236 O SER A 81 -12.154 10.921 -3.196 1.00 0.00 O ATOM 1237 CB SER A 81 -13.865 10.489 -1.067 1.00 0.00 C ATOM 1238 OG SER A 81 -14.695 10.067 0.011 1.00 0.00 O ATOM 0 H SER A 81 -12.126 8.776 -0.444 1.00 0.00 H new ATOM 0 HA SER A 81 -14.363 8.797 -2.269 1.00 0.00 H new ATOM 0 HB2 SER A 81 -12.971 10.970 -0.669 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.392 11.237 -1.659 1.00 0.00 H new ATOM 0 HG SER A 81 -14.932 10.841 0.564 1.00 0.00 H new ATOM 1244 N GLY A 82 -12.812 9.045 -4.274 1.00 0.00 N ATOM 1245 CA GLY A 82 -12.177 9.410 -5.529 1.00 0.00 C ATOM 1246 C GLY A 82 -12.992 8.906 -6.722 1.00 0.00 C ATOM 1247 O GLY A 82 -14.004 8.230 -6.546 1.00 0.00 O ATOM 0 H GLY A 82 -13.300 8.149 -4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.073 10.494 -5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.172 8.991 -5.568 1.00 0.00 H new ATOM 1251 N PRO A 83 -12.507 9.264 -7.941 1.00 0.00 N ATOM 1252 CA PRO A 83 -13.179 8.856 -9.163 1.00 0.00 C ATOM 1253 C PRO A 83 -12.927 7.376 -9.459 1.00 0.00 C ATOM 1254 O PRO A 83 -11.899 6.826 -9.064 1.00 0.00 O ATOM 1255 CB PRO A 83 -12.632 9.779 -10.240 1.00 0.00 C ATOM 1256 CG PRO A 83 -11.342 10.355 -9.679 1.00 0.00 C ATOM 1257 CD PRO A 83 -11.311 10.064 -8.188 1.00 0.00 C ATOM 0 HA PRO A 83 -14.263 8.943 -9.096 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -12.446 9.233 -11.165 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.344 10.571 -10.475 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.479 9.909 -10.173 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.293 11.429 -9.859 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.407 9.522 -7.909 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.323 10.985 -7.605 1.00 0.00 H new ATOM 1265 N SER A 84 -13.882 6.773 -10.152 1.00 0.00 N ATOM 1266 CA SER A 84 -13.776 5.368 -10.506 1.00 0.00 C ATOM 1267 C SER A 84 -14.362 5.133 -11.899 1.00 0.00 C ATOM 1268 O SER A 84 -15.577 5.194 -12.084 1.00 0.00 O ATOM 1269 CB SER A 84 -14.485 4.486 -9.476 1.00 0.00 C ATOM 1270 OG SER A 84 -13.568 3.687 -8.734 1.00 0.00 O ATOM 0 H SER A 84 -14.733 7.232 -10.478 1.00 0.00 H new ATOM 0 HA SER A 84 -12.721 5.096 -10.513 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.054 5.115 -8.791 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.200 3.839 -9.984 1.00 0.00 H new ATOM 0 HG SER A 84 -14.060 3.140 -8.086 1.00 0.00 H new ATOM 1276 N SER A 85 -13.472 4.871 -12.845 1.00 0.00 N ATOM 1277 CA SER A 85 -13.886 4.627 -14.216 1.00 0.00 C ATOM 1278 C SER A 85 -14.572 3.264 -14.321 1.00 0.00 C ATOM 1279 O SER A 85 -15.728 3.177 -14.731 1.00 0.00 O ATOM 1280 CB SER A 85 -12.693 4.696 -15.172 1.00 0.00 C ATOM 1281 OG SER A 85 -13.092 5.021 -16.500 1.00 0.00 O ATOM 0 H SER A 85 -12.465 4.822 -12.689 1.00 0.00 H new ATOM 0 HA SER A 85 -14.593 5.405 -14.503 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.984 5.442 -14.814 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.174 3.738 -15.174 1.00 0.00 H new ATOM 0 HG SER A 85 -12.302 5.057 -17.079 1.00 0.00 H new ATOM 1287 N GLY A 86 -13.831 2.233 -13.943 1.00 0.00 N ATOM 1288 CA GLY A 86 -14.354 0.878 -13.989 1.00 0.00 C ATOM 1289 C GLY A 86 -13.663 0.061 -15.083 1.00 0.00 C ATOM 1290 O GLY A 86 -14.070 0.101 -16.243 1.00 0.00 O ATOM 0 H GLY A 86 -12.872 2.309 -13.603 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.209 0.395 -13.023 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.428 0.905 -14.173 1.00 0.00 H new TER 1294 GLY A 86