USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 23:sc= 0.441 USER MOD Single : A 3 SER OG : rot -43:sc= 0.369 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 42:sc= 0.0984 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 87:sc= 1.23 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.365! X(o=-0.37!,f=-0.19) USER MOD Single : A 30 LYS NZ :NH3+ 162:sc=-0.00601 (180deg=-0.123) USER MOD Single : A 34 THR OG1 : rot 89:sc= 0.184 USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0438) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= -0.0192 (180deg=-0.124) USER MOD Single : A 41 GLN : amide:sc=-0.00508 X(o=-0.0051,f=-0.1) USER MOD Single : A 46 TYR OH : rot 152:sc= -0.061 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0386 K(o=-0.039,f=-1) USER MOD Single : A 55 ASN : amide:sc= 0.748 K(o=0.75,f=-3.4!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 2.41 (180deg=2.37) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 20:sc= 0.323 USER MOD Single : A 89 SER OG : rot -5:sc= 1.02 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0279 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.814 -20.540 2.539 1.00 0.00 N ATOM 2 CA GLY A 1 -2.142 -20.674 1.249 1.00 0.00 C ATOM 3 C GLY A 1 -3.146 -20.745 0.122 1.00 0.00 C ATOM 4 O GLY A 1 -3.544 -21.847 -0.249 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.104 -20.493 3.297 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.384 -19.670 2.545 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.433 -21.361 2.695 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.474 -19.827 1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.524 -21.572 1.248 1.00 0.00 H new ATOM 8 N SER A 2 -3.543 -19.590 -0.414 1.00 0.00 N ATOM 9 CA SER A 2 -4.274 -19.443 -1.665 1.00 0.00 C ATOM 10 C SER A 2 -3.919 -18.071 -2.249 1.00 0.00 C ATOM 11 O SER A 2 -3.485 -17.178 -1.519 1.00 0.00 O ATOM 12 CB SER A 2 -5.788 -19.541 -1.411 1.00 0.00 C ATOM 13 OG SER A 2 -6.181 -20.882 -1.186 1.00 0.00 O ATOM 0 H SER A 2 -3.353 -18.694 0.035 1.00 0.00 H new ATOM 0 HA SER A 2 -4.002 -20.235 -2.363 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.055 -18.931 -0.548 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.330 -19.138 -2.267 1.00 0.00 H new ATOM 0 HG SER A 2 -5.411 -21.401 -0.873 1.00 0.00 H new ATOM 19 N SER A 3 -4.136 -17.894 -3.551 1.00 0.00 N ATOM 20 CA SER A 3 -4.003 -16.623 -4.256 1.00 0.00 C ATOM 21 C SER A 3 -5.117 -16.443 -5.299 1.00 0.00 C ATOM 22 O SER A 3 -5.106 -15.450 -6.020 1.00 0.00 O ATOM 23 CB SER A 3 -2.608 -16.559 -4.897 1.00 0.00 C ATOM 24 OG SER A 3 -2.318 -15.283 -5.451 1.00 0.00 O ATOM 0 H SER A 3 -4.419 -18.659 -4.164 1.00 0.00 H new ATOM 0 HA SER A 3 -4.109 -15.801 -3.548 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.856 -16.804 -4.147 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.537 -17.315 -5.679 1.00 0.00 H new ATOM 0 HG SER A 3 -3.100 -14.954 -5.942 1.00 0.00 H new ATOM 30 N GLY A 4 -6.060 -17.386 -5.423 1.00 0.00 N ATOM 31 CA GLY A 4 -6.937 -17.464 -6.585 1.00 0.00 C ATOM 32 C GLY A 4 -6.183 -18.032 -7.785 1.00 0.00 C ATOM 33 O GLY A 4 -5.044 -18.495 -7.646 1.00 0.00 O ATOM 0 H GLY A 4 -6.231 -18.108 -4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.797 -18.093 -6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.322 -16.473 -6.825 1.00 0.00 H new ATOM 37 N SER A 5 -6.830 -18.052 -8.949 1.00 0.00 N ATOM 38 CA SER A 5 -6.241 -18.490 -10.211 1.00 0.00 C ATOM 39 C SER A 5 -6.977 -17.869 -11.416 1.00 0.00 C ATOM 40 O SER A 5 -7.034 -18.486 -12.485 1.00 0.00 O ATOM 41 CB SER A 5 -6.204 -20.032 -10.224 1.00 0.00 C ATOM 42 OG SER A 5 -7.460 -20.643 -9.938 1.00 0.00 O ATOM 0 H SER A 5 -7.802 -17.757 -9.042 1.00 0.00 H new ATOM 0 HA SER A 5 -5.215 -18.134 -10.301 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.862 -20.369 -11.202 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.470 -20.374 -9.494 1.00 0.00 H new ATOM 0 HG SER A 5 -7.363 -21.618 -9.965 1.00 0.00 H new ATOM 48 N SER A 6 -7.600 -16.698 -11.236 1.00 0.00 N ATOM 49 CA SER A 6 -8.531 -16.083 -12.180 1.00 0.00 C ATOM 50 C SER A 6 -8.168 -14.616 -12.383 1.00 0.00 C ATOM 51 O SER A 6 -8.063 -13.877 -11.402 1.00 0.00 O ATOM 52 CB SER A 6 -9.957 -16.166 -11.620 1.00 0.00 C ATOM 53 OG SER A 6 -10.404 -17.508 -11.522 1.00 0.00 O ATOM 0 H SER A 6 -7.462 -16.135 -10.397 1.00 0.00 H new ATOM 0 HA SER A 6 -8.472 -16.611 -13.132 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.989 -15.699 -10.636 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.634 -15.603 -12.263 1.00 0.00 H new ATOM 0 HG SER A 6 -11.315 -17.524 -11.160 1.00 0.00 H new ATOM 59 N GLY A 7 -8.022 -14.184 -13.635 1.00 0.00 N ATOM 60 CA GLY A 7 -7.971 -12.777 -13.997 1.00 0.00 C ATOM 61 C GLY A 7 -9.363 -12.364 -14.455 1.00 0.00 C ATOM 62 O GLY A 7 -10.339 -12.578 -13.732 1.00 0.00 O ATOM 0 H GLY A 7 -7.935 -14.813 -14.433 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.655 -12.175 -13.145 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.243 -12.613 -14.792 1.00 0.00 H new ATOM 66 N ASP A 8 -9.457 -11.836 -15.679 1.00 0.00 N ATOM 67 CA ASP A 8 -10.692 -11.448 -16.370 1.00 0.00 C ATOM 68 C ASP A 8 -11.625 -10.656 -15.453 1.00 0.00 C ATOM 69 O ASP A 8 -12.676 -11.145 -15.026 1.00 0.00 O ATOM 70 CB ASP A 8 -11.392 -12.671 -16.988 1.00 0.00 C ATOM 71 CG ASP A 8 -10.570 -13.289 -18.108 1.00 0.00 C ATOM 72 OD1 ASP A 8 -10.576 -12.738 -19.234 1.00 0.00 O ATOM 73 OD2 ASP A 8 -9.894 -14.312 -17.872 1.00 0.00 O ATOM 0 H ASP A 8 -8.628 -11.658 -16.246 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.418 -10.784 -17.190 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.570 -13.417 -16.214 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.367 -12.374 -17.374 1.00 0.00 H new ATOM 78 N ARG A 9 -11.229 -9.433 -15.101 1.00 0.00 N ATOM 79 CA ARG A 9 -11.931 -8.599 -14.129 1.00 0.00 C ATOM 80 C ARG A 9 -11.796 -7.120 -14.501 1.00 0.00 C ATOM 81 O ARG A 9 -10.906 -6.739 -15.275 1.00 0.00 O ATOM 82 CB ARG A 9 -11.348 -8.874 -12.724 1.00 0.00 C ATOM 83 CG ARG A 9 -12.391 -9.036 -11.604 1.00 0.00 C ATOM 84 CD ARG A 9 -12.809 -10.495 -11.341 1.00 0.00 C ATOM 85 NE ARG A 9 -13.733 -11.027 -12.360 1.00 0.00 N ATOM 86 CZ ARG A 9 -14.938 -11.579 -12.147 1.00 0.00 C ATOM 87 NH1 ARG A 9 -15.393 -11.823 -10.923 1.00 0.00 N ATOM 88 NH2 ARG A 9 -15.723 -11.872 -13.176 1.00 0.00 N ATOM 0 H ARG A 9 -10.398 -8.988 -15.490 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.993 -8.843 -14.129 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.743 -9.780 -12.770 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.678 -8.056 -12.459 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.989 -8.613 -10.684 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.277 -8.456 -11.861 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.917 -11.121 -11.306 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.282 -10.560 -10.361 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.423 -10.969 -13.330 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.822 -11.590 -10.111 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -16.313 -12.244 -10.796 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.411 -11.678 -14.127 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.639 -12.291 -13.016 1.00 0.00 H new ATOM 102 N VAL A 10 -12.648 -6.286 -13.910 1.00 0.00 N ATOM 103 CA VAL A 10 -12.490 -4.837 -13.903 1.00 0.00 C ATOM 104 C VAL A 10 -11.236 -4.469 -13.096 1.00 0.00 C ATOM 105 O VAL A 10 -10.760 -5.281 -12.302 1.00 0.00 O ATOM 106 CB VAL A 10 -13.761 -4.176 -13.331 1.00 0.00 C ATOM 107 CG1 VAL A 10 -14.952 -4.402 -14.276 1.00 0.00 C ATOM 108 CG2 VAL A 10 -14.140 -4.678 -11.926 1.00 0.00 C ATOM 0 H VAL A 10 -13.481 -6.605 -13.415 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.358 -4.465 -14.919 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.529 -3.114 -13.245 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -15.842 -3.930 -13.859 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.732 -3.965 -15.250 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.128 -5.472 -14.390 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.043 -4.169 -11.589 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.320 -5.752 -11.960 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.325 -4.469 -11.233 1.00 0.00 H new ATOM 118 N THR A 11 -10.733 -3.244 -13.249 1.00 0.00 N ATOM 119 CA THR A 11 -9.603 -2.741 -12.480 1.00 0.00 C ATOM 120 C THR A 11 -9.961 -1.357 -11.938 1.00 0.00 C ATOM 121 O THR A 11 -9.768 -0.334 -12.599 1.00 0.00 O ATOM 122 CB THR A 11 -8.302 -2.784 -13.302 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.423 -2.123 -14.545 1.00 0.00 O ATOM 124 CG2 THR A 11 -7.848 -4.211 -13.618 1.00 0.00 C ATOM 0 H THR A 11 -11.105 -2.569 -13.918 1.00 0.00 H new ATOM 0 HA THR A 11 -9.403 -3.385 -11.624 1.00 0.00 H new ATOM 0 HB THR A 11 -7.573 -2.282 -12.667 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.921 -1.288 -14.424 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.926 -4.179 -14.199 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.672 -4.751 -12.688 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.622 -4.720 -14.193 1.00 0.00 H new ATOM 132 N LEU A 12 -10.526 -1.325 -10.731 1.00 0.00 N ATOM 133 CA LEU A 12 -10.786 -0.076 -10.020 1.00 0.00 C ATOM 134 C LEU A 12 -9.439 0.607 -9.774 1.00 0.00 C ATOM 135 O LEU A 12 -8.430 -0.077 -9.606 1.00 0.00 O ATOM 136 CB LEU A 12 -11.510 -0.335 -8.684 1.00 0.00 C ATOM 137 CG LEU A 12 -13.033 -0.552 -8.816 1.00 0.00 C ATOM 138 CD1 LEU A 12 -13.395 -1.896 -9.463 1.00 0.00 C ATOM 139 CD2 LEU A 12 -13.676 -0.478 -7.426 1.00 0.00 C ATOM 0 H LEU A 12 -10.815 -2.160 -10.222 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.437 0.562 -10.618 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.070 -1.213 -8.210 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.332 0.510 -8.018 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.412 0.234 -9.469 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.479 -1.989 -9.527 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.966 -1.945 -10.464 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.997 -2.710 -8.858 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -14.752 -0.631 -7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -13.251 -1.252 -6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.483 0.501 -6.988 1.00 0.00 H new ATOM 151 N GLU A 13 -9.415 1.939 -9.710 1.00 0.00 N ATOM 152 CA GLU A 13 -8.168 2.699 -9.585 1.00 0.00 C ATOM 153 C GLU A 13 -7.390 2.283 -8.338 1.00 0.00 C ATOM 154 O GLU A 13 -6.181 2.070 -8.405 1.00 0.00 O ATOM 155 CB GLU A 13 -8.468 4.204 -9.561 1.00 0.00 C ATOM 156 CG GLU A 13 -8.540 4.763 -10.983 1.00 0.00 C ATOM 157 CD GLU A 13 -9.196 6.137 -11.008 1.00 0.00 C ATOM 158 OE1 GLU A 13 -8.553 7.149 -10.641 1.00 0.00 O ATOM 159 OE2 GLU A 13 -10.386 6.208 -11.386 1.00 0.00 O ATOM 0 H GLU A 13 -10.253 2.519 -9.743 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.545 2.479 -10.452 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.412 4.384 -9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.694 4.725 -8.999 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.535 4.830 -11.400 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.103 4.078 -11.617 1.00 0.00 H new ATOM 166 N VAL A 14 -8.086 2.122 -7.212 1.00 0.00 N ATOM 167 CA VAL A 14 -7.522 1.608 -5.971 1.00 0.00 C ATOM 168 C VAL A 14 -6.894 0.238 -6.225 1.00 0.00 C ATOM 169 O VAL A 14 -5.712 0.066 -5.948 1.00 0.00 O ATOM 170 CB VAL A 14 -8.627 1.647 -4.899 1.00 0.00 C ATOM 171 CG1 VAL A 14 -8.386 0.792 -3.661 1.00 0.00 C ATOM 172 CG2 VAL A 14 -8.795 3.085 -4.395 1.00 0.00 C ATOM 0 H VAL A 14 -9.077 2.351 -7.139 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.704 2.219 -5.591 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.503 1.245 -5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.228 0.898 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.286 -0.253 -3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.472 1.119 -3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.577 3.116 -3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.856 3.431 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.072 3.732 -5.227 1.00 0.00 H new ATOM 182 N GLY A 15 -7.626 -0.722 -6.792 1.00 0.00 N ATOM 183 CA GLY A 15 -7.104 -2.046 -7.095 1.00 0.00 C ATOM 184 C GLY A 15 -5.869 -2.002 -7.995 1.00 0.00 C ATOM 185 O GLY A 15 -4.928 -2.769 -7.772 1.00 0.00 O ATOM 0 H GLY A 15 -8.604 -0.597 -7.054 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.852 -2.554 -6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.881 -2.636 -7.580 1.00 0.00 H new ATOM 189 N LYS A 16 -5.840 -1.116 -8.996 1.00 0.00 N ATOM 190 CA LYS A 16 -4.681 -0.939 -9.866 1.00 0.00 C ATOM 191 C LYS A 16 -3.492 -0.439 -9.053 1.00 0.00 C ATOM 192 O LYS A 16 -2.442 -1.078 -9.082 1.00 0.00 O ATOM 193 CB LYS A 16 -5.030 -0.014 -11.046 1.00 0.00 C ATOM 194 CG LYS A 16 -3.888 0.126 -12.071 1.00 0.00 C ATOM 195 CD LYS A 16 -3.515 -1.155 -12.838 1.00 0.00 C ATOM 196 CE LYS A 16 -4.666 -1.571 -13.760 1.00 0.00 C ATOM 197 NZ LYS A 16 -4.306 -2.660 -14.683 1.00 0.00 N ATOM 0 H LYS A 16 -6.622 -0.502 -9.223 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.395 -1.899 -10.297 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.916 -0.399 -11.550 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.286 0.973 -10.661 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.167 0.892 -12.795 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.001 0.487 -11.551 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.612 -0.987 -13.424 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.294 -1.958 -12.135 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.515 -1.885 -13.152 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.990 -0.706 -14.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.125 -2.895 -15.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.515 -2.357 -15.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.023 -3.499 -14.137 1.00 0.00 H new ATOM 211 N VAL A 17 -3.638 0.677 -8.333 1.00 0.00 N ATOM 212 CA VAL A 17 -2.567 1.264 -7.530 1.00 0.00 C ATOM 213 C VAL A 17 -2.073 0.262 -6.483 1.00 0.00 C ATOM 214 O VAL A 17 -0.868 0.186 -6.240 1.00 0.00 O ATOM 215 CB VAL A 17 -3.038 2.600 -6.911 1.00 0.00 C ATOM 216 CG1 VAL A 17 -2.053 3.144 -5.866 1.00 0.00 C ATOM 217 CG2 VAL A 17 -3.206 3.651 -8.023 1.00 0.00 C ATOM 0 H VAL A 17 -4.512 1.202 -8.292 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.714 1.493 -8.168 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.986 2.404 -6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.432 4.083 -5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.943 2.421 -5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.084 3.315 -6.334 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.538 4.593 -7.586 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.252 3.802 -8.528 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.947 3.304 -8.743 1.00 0.00 H new ATOM 227 N ILE A 18 -2.971 -0.519 -5.879 1.00 0.00 N ATOM 228 CA ILE A 18 -2.627 -1.557 -4.920 1.00 0.00 C ATOM 229 C ILE A 18 -1.692 -2.548 -5.598 1.00 0.00 C ATOM 230 O ILE A 18 -0.567 -2.718 -5.125 1.00 0.00 O ATOM 231 CB ILE A 18 -3.902 -2.194 -4.315 1.00 0.00 C ATOM 232 CG1 ILE A 18 -4.514 -1.170 -3.340 1.00 0.00 C ATOM 233 CG2 ILE A 18 -3.594 -3.508 -3.567 1.00 0.00 C ATOM 234 CD1 ILE A 18 -5.963 -1.454 -2.958 1.00 0.00 C ATOM 0 H ILE A 18 -3.974 -0.442 -6.049 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.094 -1.140 -4.066 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.594 -2.442 -5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.910 -1.144 -2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.457 -0.179 -3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.517 -3.920 -3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.151 -4.225 -4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.895 -3.309 -2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.315 -0.686 -2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.583 -1.450 -3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.028 -2.430 -2.477 1.00 0.00 H new ATOM 246 N GLN A 19 -2.132 -3.183 -6.687 1.00 0.00 N ATOM 247 CA GLN A 19 -1.374 -4.238 -7.330 1.00 0.00 C ATOM 248 C GLN A 19 -0.020 -3.716 -7.848 1.00 0.00 C ATOM 249 O GLN A 19 0.990 -4.422 -7.740 1.00 0.00 O ATOM 250 CB GLN A 19 -2.235 -4.882 -8.427 1.00 0.00 C ATOM 251 CG GLN A 19 -1.719 -6.288 -8.736 1.00 0.00 C ATOM 252 CD GLN A 19 -2.589 -7.057 -9.721 1.00 0.00 C ATOM 253 OE1 GLN A 19 -2.329 -7.051 -10.921 1.00 0.00 O ATOM 254 NE2 GLN A 19 -3.589 -7.771 -9.231 1.00 0.00 N ATOM 0 H GLN A 19 -3.022 -2.975 -7.140 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.129 -5.013 -6.604 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.275 -4.930 -8.104 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.209 -4.269 -9.328 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.709 -6.214 -9.138 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.652 -6.853 -7.806 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.783 -7.757 -8.230 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.166 -8.335 -9.855 1.00 0.00 H new ATOM 263 N GLN A 20 0.043 -2.482 -8.363 1.00 0.00 N ATOM 264 CA GLN A 20 1.289 -1.817 -8.714 1.00 0.00 C ATOM 265 C GLN A 20 2.198 -1.638 -7.505 1.00 0.00 C ATOM 266 O GLN A 20 3.365 -2.027 -7.549 1.00 0.00 O ATOM 267 CB GLN A 20 0.968 -0.461 -9.359 1.00 0.00 C ATOM 268 CG GLN A 20 1.417 -0.423 -10.818 1.00 0.00 C ATOM 269 CD GLN A 20 2.820 0.173 -10.940 1.00 0.00 C ATOM 270 OE1 GLN A 20 2.983 1.392 -10.878 1.00 0.00 O ATOM 271 NE2 GLN A 20 3.852 -0.642 -11.062 1.00 0.00 N ATOM 0 H GLN A 20 -0.785 -1.916 -8.547 1.00 0.00 H new ATOM 0 HA GLN A 20 1.829 -2.444 -9.423 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.104 -0.272 -9.301 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.463 0.335 -8.803 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.408 -1.431 -11.232 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.714 0.168 -11.404 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.703 -1.650 -11.112 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.798 -0.264 -11.106 1.00 0.00 H new ATOM 280 N GLY A 21 1.695 -1.028 -6.434 1.00 0.00 N ATOM 281 CA GLY A 21 2.501 -0.675 -5.280 1.00 0.00 C ATOM 282 C GLY A 21 3.028 -1.906 -4.558 1.00 0.00 C ATOM 283 O GLY A 21 4.169 -1.889 -4.098 1.00 0.00 O ATOM 0 H GLY A 21 0.713 -0.766 -6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.339 -0.055 -5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.905 -0.077 -4.590 1.00 0.00 H new ATOM 287 N ARG A 22 2.224 -2.974 -4.481 1.00 0.00 N ATOM 288 CA ARG A 22 2.649 -4.250 -3.939 1.00 0.00 C ATOM 289 C ARG A 22 3.863 -4.752 -4.716 1.00 0.00 C ATOM 290 O ARG A 22 4.940 -4.914 -4.140 1.00 0.00 O ATOM 291 CB ARG A 22 1.494 -5.269 -4.037 1.00 0.00 C ATOM 292 CG ARG A 22 0.412 -5.108 -2.985 1.00 0.00 C ATOM 293 CD ARG A 22 -0.272 -6.426 -2.584 1.00 0.00 C ATOM 294 NE ARG A 22 -0.971 -7.109 -3.690 1.00 0.00 N ATOM 295 CZ ARG A 22 -0.545 -8.135 -4.445 1.00 0.00 C ATOM 296 NH1 ARG A 22 0.676 -8.663 -4.297 1.00 0.00 N ATOM 297 NH2 ARG A 22 -1.389 -8.664 -5.329 1.00 0.00 N ATOM 0 H ARG A 22 1.255 -2.966 -4.798 1.00 0.00 H new ATOM 0 HA ARG A 22 2.922 -4.129 -2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.037 -5.186 -5.023 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.908 -6.275 -3.961 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.849 -4.652 -2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.344 -4.417 -3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.479 -7.101 -2.173 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.988 -6.222 -1.788 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.902 -6.755 -3.910 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.313 -8.286 -3.595 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.970 -9.442 -4.886 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.333 -8.289 -5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.091 -9.444 -5.915 1.00 0.00 H new ATOM 311 N GLN A 23 3.705 -4.982 -6.022 1.00 0.00 N ATOM 312 CA GLN A 23 4.746 -5.503 -6.889 1.00 0.00 C ATOM 313 C GLN A 23 5.968 -4.585 -6.947 1.00 0.00 C ATOM 314 O GLN A 23 7.080 -5.090 -7.063 1.00 0.00 O ATOM 315 CB GLN A 23 4.140 -5.699 -8.280 1.00 0.00 C ATOM 316 CG GLN A 23 3.312 -6.984 -8.405 1.00 0.00 C ATOM 317 CD GLN A 23 3.977 -8.068 -9.248 1.00 0.00 C ATOM 318 OE1 GLN A 23 4.834 -8.810 -8.783 1.00 0.00 O ATOM 319 NE2 GLN A 23 3.573 -8.247 -10.494 1.00 0.00 N ATOM 0 H GLN A 23 2.827 -4.805 -6.510 1.00 0.00 H new ATOM 0 HA GLN A 23 5.105 -6.452 -6.490 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.508 -4.843 -8.517 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.941 -5.718 -9.019 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.120 -7.380 -7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.344 -6.740 -8.843 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.860 -7.635 -10.892 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.974 -8.997 -11.057 1.00 0.00 H new ATOM 328 N SER A 24 5.805 -3.270 -6.786 1.00 0.00 N ATOM 329 CA SER A 24 6.920 -2.319 -6.769 1.00 0.00 C ATOM 330 C SER A 24 7.862 -2.522 -5.574 1.00 0.00 C ATOM 331 O SER A 24 8.976 -1.994 -5.557 1.00 0.00 O ATOM 332 CB SER A 24 6.370 -0.893 -6.795 1.00 0.00 C ATOM 333 OG SER A 24 5.692 -0.683 -8.023 1.00 0.00 O ATOM 0 H SER A 24 4.892 -2.832 -6.663 1.00 0.00 H new ATOM 0 HA SER A 24 7.522 -2.499 -7.660 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.690 -0.736 -5.958 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.182 -0.174 -6.685 1.00 0.00 H new ATOM 0 HG SER A 24 4.763 -0.983 -7.939 1.00 0.00 H new ATOM 339 N LYS A 25 7.448 -3.311 -4.581 1.00 0.00 N ATOM 340 CA LYS A 25 8.266 -3.760 -3.458 1.00 0.00 C ATOM 341 C LYS A 25 8.314 -5.292 -3.414 1.00 0.00 C ATOM 342 O LYS A 25 8.813 -5.873 -2.453 1.00 0.00 O ATOM 343 CB LYS A 25 7.714 -3.122 -2.178 1.00 0.00 C ATOM 344 CG LYS A 25 7.857 -1.602 -2.201 1.00 0.00 C ATOM 345 CD LYS A 25 7.114 -1.062 -0.988 1.00 0.00 C ATOM 346 CE LYS A 25 6.729 0.386 -1.195 1.00 0.00 C ATOM 347 NZ LYS A 25 7.844 1.321 -0.954 1.00 0.00 N ATOM 0 H LYS A 25 6.494 -3.668 -4.538 1.00 0.00 H new ATOM 0 HA LYS A 25 9.302 -3.439 -3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.663 -3.387 -2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.242 -3.525 -1.313 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.908 -1.314 -2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.442 -1.190 -3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.220 -1.659 -0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.741 -1.153 -0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.367 0.517 -2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.903 0.635 -0.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.519 2.296 -1.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.176 1.220 0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.624 1.106 -1.607 1.00 0.00 H new ATOM 361 N GLY A 26 7.794 -5.949 -4.452 1.00 0.00 N ATOM 362 CA GLY A 26 7.695 -7.386 -4.586 1.00 0.00 C ATOM 363 C GLY A 26 6.862 -8.038 -3.485 1.00 0.00 C ATOM 364 O GLY A 26 7.089 -9.217 -3.208 1.00 0.00 O ATOM 0 H GLY A 26 7.413 -5.458 -5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.255 -7.624 -5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.697 -7.815 -4.577 1.00 0.00 H new ATOM 368 N LEU A 27 5.933 -7.314 -2.853 1.00 0.00 N ATOM 369 CA LEU A 27 5.212 -7.773 -1.670 1.00 0.00 C ATOM 370 C LEU A 27 3.957 -8.568 -2.049 1.00 0.00 C ATOM 371 O LEU A 27 3.197 -8.189 -2.944 1.00 0.00 O ATOM 372 CB LEU A 27 4.817 -6.584 -0.786 1.00 0.00 C ATOM 373 CG LEU A 27 5.967 -5.741 -0.215 1.00 0.00 C ATOM 374 CD1 LEU A 27 5.412 -4.427 0.346 1.00 0.00 C ATOM 375 CD2 LEU A 27 6.715 -6.485 0.895 1.00 0.00 C ATOM 0 H LEU A 27 5.659 -6.379 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 27 5.882 -8.431 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.169 -5.928 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.224 -6.961 0.047 1.00 0.00 H new ATOM 0 HG LEU A 27 6.668 -5.541 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.229 -3.830 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.917 -3.872 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.694 -4.644 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.521 -5.857 1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.025 -6.718 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.132 -7.410 0.496 1.00 0.00 H new ATOM 387 N THR A 28 3.693 -9.646 -1.313 1.00 0.00 N ATOM 388 CA THR A 28 2.522 -10.504 -1.487 1.00 0.00 C ATOM 389 C THR A 28 1.286 -9.851 -0.844 1.00 0.00 C ATOM 390 O THR A 28 1.419 -8.955 -0.004 1.00 0.00 O ATOM 391 CB THR A 28 2.860 -11.914 -0.969 1.00 0.00 C ATOM 392 OG1 THR A 28 1.876 -12.864 -1.294 1.00 0.00 O ATOM 393 CG2 THR A 28 3.004 -11.956 0.538 1.00 0.00 C ATOM 0 H THR A 28 4.305 -9.956 -0.558 1.00 0.00 H new ATOM 0 HA THR A 28 2.260 -10.619 -2.539 1.00 0.00 H new ATOM 0 HB THR A 28 3.803 -12.157 -1.458 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.140 -13.741 -0.944 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.242 -12.972 0.853 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.805 -11.284 0.846 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.069 -11.643 1.002 1.00 0.00 H new ATOM 401 N GLN A 29 0.073 -10.309 -1.178 1.00 0.00 N ATOM 402 CA GLN A 29 -1.162 -9.818 -0.551 1.00 0.00 C ATOM 403 C GLN A 29 -1.117 -10.060 0.957 1.00 0.00 C ATOM 404 O GLN A 29 -1.497 -9.191 1.739 1.00 0.00 O ATOM 405 CB GLN A 29 -2.405 -10.495 -1.158 1.00 0.00 C ATOM 406 CG GLN A 29 -2.599 -10.059 -2.612 1.00 0.00 C ATOM 407 CD GLN A 29 -3.718 -10.785 -3.352 1.00 0.00 C ATOM 408 OE1 GLN A 29 -3.898 -11.994 -3.219 1.00 0.00 O ATOM 409 NE2 GLN A 29 -4.448 -10.087 -4.195 1.00 0.00 N ATOM 0 H GLN A 29 -0.080 -11.027 -1.887 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.234 -8.747 -0.742 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.296 -11.578 -1.109 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.288 -10.236 -0.574 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.804 -8.989 -2.632 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.665 -10.215 -3.151 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.290 -9.084 -4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.172 -10.548 -4.746 1.00 0.00 H new ATOM 418 N LYS A 30 -0.613 -11.226 1.367 1.00 0.00 N ATOM 419 CA LYS A 30 -0.474 -11.571 2.775 1.00 0.00 C ATOM 420 C LYS A 30 0.463 -10.607 3.512 1.00 0.00 C ATOM 421 O LYS A 30 0.189 -10.291 4.664 1.00 0.00 O ATOM 422 CB LYS A 30 -0.071 -13.052 2.895 1.00 0.00 C ATOM 423 CG LYS A 30 -0.893 -13.831 3.936 1.00 0.00 C ATOM 424 CD LYS A 30 -0.516 -13.486 5.387 1.00 0.00 C ATOM 425 CE LYS A 30 -0.507 -14.737 6.280 1.00 0.00 C ATOM 426 NZ LYS A 30 0.620 -15.640 5.949 1.00 0.00 N ATOM 0 H LYS A 30 -0.291 -11.954 0.729 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.433 -11.452 3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.184 -13.531 1.922 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.985 -13.112 3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.952 -13.623 3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.752 -14.900 3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.468 -13.017 5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.224 -12.759 5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.438 -14.437 7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.449 -15.273 6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.782 -16.297 6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.391 -16.180 5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.479 -15.077 5.786 1.00 0.00 H new ATOM 440 N ASP A 31 1.520 -10.099 2.868 1.00 0.00 N ATOM 441 CA ASP A 31 2.405 -9.103 3.490 1.00 0.00 C ATOM 442 C ASP A 31 1.671 -7.782 3.699 1.00 0.00 C ATOM 443 O ASP A 31 1.886 -7.103 4.701 1.00 0.00 O ATOM 444 CB ASP A 31 3.672 -8.854 2.650 1.00 0.00 C ATOM 445 CG ASP A 31 4.847 -9.661 3.192 1.00 0.00 C ATOM 446 OD1 ASP A 31 5.555 -9.156 4.082 1.00 0.00 O ATOM 447 OD2 ASP A 31 5.048 -10.811 2.734 1.00 0.00 O ATOM 0 H ASP A 31 1.784 -10.360 1.918 1.00 0.00 H new ATOM 0 HA ASP A 31 2.707 -9.510 4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.485 -9.128 1.612 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.918 -7.792 2.661 1.00 0.00 H new ATOM 452 N LEU A 32 0.791 -7.404 2.764 1.00 0.00 N ATOM 453 CA LEU A 32 0.010 -6.174 2.869 1.00 0.00 C ATOM 454 C LEU A 32 -0.901 -6.241 4.090 1.00 0.00 C ATOM 455 O LEU A 32 -0.941 -5.311 4.890 1.00 0.00 O ATOM 456 CB LEU A 32 -0.833 -5.962 1.599 1.00 0.00 C ATOM 457 CG LEU A 32 -1.086 -4.496 1.223 1.00 0.00 C ATOM 458 CD1 LEU A 32 -1.724 -3.656 2.331 1.00 0.00 C ATOM 459 CD2 LEU A 32 0.181 -3.785 0.744 1.00 0.00 C ATOM 0 H LEU A 32 0.604 -7.942 1.918 1.00 0.00 H new ATOM 0 HA LEU A 32 0.696 -5.334 2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.334 -6.454 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.794 -6.458 1.733 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.803 -4.569 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.866 -2.635 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.689 -4.084 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.072 -3.650 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.055 -2.751 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.930 -3.803 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.573 -4.294 -0.137 1.00 0.00 H new ATOM 471 N ALA A 33 -1.595 -7.370 4.236 1.00 0.00 N ATOM 472 CA ALA A 33 -2.523 -7.666 5.316 1.00 0.00 C ATOM 473 C ALA A 33 -1.830 -7.394 6.645 1.00 0.00 C ATOM 474 O ALA A 33 -2.313 -6.600 7.447 1.00 0.00 O ATOM 475 CB ALA A 33 -2.948 -9.127 5.177 1.00 0.00 C ATOM 0 H ALA A 33 -1.518 -8.138 3.569 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.413 -7.039 5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.646 -9.380 5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.431 -9.275 4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.070 -9.769 5.246 1.00 0.00 H new ATOM 481 N THR A 34 -0.658 -7.991 6.843 1.00 0.00 N ATOM 482 CA THR A 34 0.181 -7.758 8.001 1.00 0.00 C ATOM 483 C THR A 34 0.559 -6.274 8.135 1.00 0.00 C ATOM 484 O THR A 34 0.362 -5.694 9.205 1.00 0.00 O ATOM 485 CB THR A 34 1.400 -8.676 7.878 1.00 0.00 C ATOM 486 OG1 THR A 34 0.972 -10.012 7.668 1.00 0.00 O ATOM 487 CG2 THR A 34 2.226 -8.643 9.160 1.00 0.00 C ATOM 0 H THR A 34 -0.262 -8.663 6.186 1.00 0.00 H new ATOM 0 HA THR A 34 -0.356 -7.996 8.919 1.00 0.00 H new ATOM 0 HB THR A 34 2.004 -8.328 7.040 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.870 -10.176 6.707 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.088 -9.301 9.054 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.568 -7.625 9.347 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.613 -8.979 9.996 1.00 0.00 H new ATOM 495 N LYS A 35 1.047 -5.619 7.073 1.00 0.00 N ATOM 496 CA LYS A 35 1.448 -4.212 7.087 1.00 0.00 C ATOM 497 C LYS A 35 0.341 -3.247 7.507 1.00 0.00 C ATOM 498 O LYS A 35 0.664 -2.131 7.915 1.00 0.00 O ATOM 499 CB LYS A 35 1.965 -3.813 5.700 1.00 0.00 C ATOM 500 CG LYS A 35 3.464 -4.080 5.521 1.00 0.00 C ATOM 501 CD LYS A 35 3.890 -3.627 4.119 1.00 0.00 C ATOM 502 CE LYS A 35 5.403 -3.696 3.899 1.00 0.00 C ATOM 503 NZ LYS A 35 6.145 -2.734 4.740 1.00 0.00 N ATOM 0 H LYS A 35 1.175 -6.064 6.164 1.00 0.00 H new ATOM 0 HA LYS A 35 2.230 -4.130 7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.410 -4.362 4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.768 -2.754 5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.035 -3.544 6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.676 -5.141 5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.392 -4.250 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.552 -2.604 3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.752 -4.706 4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.623 -3.500 2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.146 -2.725 4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.742 -1.783 4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.070 -3.016 5.738 1.00 0.00 H new ATOM 517 N ILE A 36 -0.931 -3.634 7.422 1.00 0.00 N ATOM 518 CA ILE A 36 -2.056 -2.812 7.866 1.00 0.00 C ATOM 519 C ILE A 36 -2.824 -3.465 9.024 1.00 0.00 C ATOM 520 O ILE A 36 -3.854 -2.937 9.450 1.00 0.00 O ATOM 521 CB ILE A 36 -2.952 -2.442 6.671 1.00 0.00 C ATOM 522 CG1 ILE A 36 -3.723 -3.639 6.093 1.00 0.00 C ATOM 523 CG2 ILE A 36 -2.134 -1.745 5.572 1.00 0.00 C ATOM 524 CD1 ILE A 36 -4.935 -3.179 5.284 1.00 0.00 C ATOM 0 H ILE A 36 -1.212 -4.536 7.039 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.665 -1.879 8.273 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.701 -1.750 7.056 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.061 -4.228 5.458 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.050 -4.290 6.904 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.787 -1.492 4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.688 -0.834 5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.345 -2.413 5.226 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.460 -4.049 4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.607 -2.611 5.927 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.604 -2.549 4.459 1.00 0.00 H new ATOM 536 N ASN A 37 -2.322 -4.596 9.528 1.00 0.00 N ATOM 537 CA ASN A 37 -2.922 -5.444 10.552 1.00 0.00 C ATOM 538 C ASN A 37 -4.397 -5.724 10.233 1.00 0.00 C ATOM 539 O ASN A 37 -5.311 -5.287 10.937 1.00 0.00 O ATOM 540 CB ASN A 37 -2.650 -4.820 11.927 1.00 0.00 C ATOM 541 CG ASN A 37 -3.136 -5.653 13.102 1.00 0.00 C ATOM 542 OD1 ASN A 37 -3.455 -6.832 12.996 1.00 0.00 O ATOM 543 ND2 ASN A 37 -3.146 -5.058 14.276 1.00 0.00 N ATOM 0 H ASN A 37 -1.426 -4.964 9.208 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.465 -6.433 10.569 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.578 -4.656 12.032 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.128 -3.841 11.969 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.421 -5.578 15.109 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.879 -4.077 14.353 1.00 0.00 H new ATOM 550 N GLU A 38 -4.619 -6.424 9.121 1.00 0.00 N ATOM 551 CA GLU A 38 -5.906 -6.863 8.593 1.00 0.00 C ATOM 552 C GLU A 38 -5.795 -8.297 8.082 1.00 0.00 C ATOM 553 O GLU A 38 -4.705 -8.874 8.015 1.00 0.00 O ATOM 554 CB GLU A 38 -6.340 -5.972 7.412 1.00 0.00 C ATOM 555 CG GLU A 38 -6.850 -4.581 7.802 1.00 0.00 C ATOM 556 CD GLU A 38 -8.046 -4.532 8.757 1.00 0.00 C ATOM 557 OE1 GLU A 38 -8.679 -5.567 9.078 1.00 0.00 O ATOM 558 OE2 GLU A 38 -8.325 -3.409 9.238 1.00 0.00 O ATOM 0 H GLU A 38 -3.847 -6.719 8.524 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.639 -6.797 9.397 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.494 -5.855 6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.124 -6.487 6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.027 -4.032 8.259 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.120 -4.049 6.890 1.00 0.00 H new ATOM 565 N LYS A 39 -6.938 -8.851 7.670 1.00 0.00 N ATOM 566 CA LYS A 39 -7.034 -10.142 6.999 1.00 0.00 C ATOM 567 C LYS A 39 -6.529 -10.013 5.561 1.00 0.00 C ATOM 568 O LYS A 39 -6.848 -9.043 4.877 1.00 0.00 O ATOM 569 CB LYS A 39 -8.496 -10.607 6.964 1.00 0.00 C ATOM 570 CG LYS A 39 -9.119 -10.794 8.356 1.00 0.00 C ATOM 571 CD LYS A 39 -8.940 -12.200 8.936 1.00 0.00 C ATOM 572 CE LYS A 39 -9.719 -13.292 8.189 1.00 0.00 C ATOM 573 NZ LYS A 39 -11.167 -13.021 8.106 1.00 0.00 N ATOM 0 H LYS A 39 -7.843 -8.399 7.799 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.429 -10.866 7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.086 -9.879 6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.555 -11.550 6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.676 -10.071 9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.184 -10.569 8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.880 -12.453 8.925 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.255 -12.193 9.979 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.316 -13.391 7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.563 -14.247 8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.656 -13.858 7.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.534 -12.803 9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.333 -12.210 7.476 1.00 0.00 H new ATOM 587 N PRO A 40 -5.840 -11.028 5.025 1.00 0.00 N ATOM 588 CA PRO A 40 -5.407 -11.037 3.634 1.00 0.00 C ATOM 589 C PRO A 40 -6.563 -11.243 2.654 1.00 0.00 C ATOM 590 O PRO A 40 -6.388 -11.021 1.453 1.00 0.00 O ATOM 591 CB PRO A 40 -4.358 -12.143 3.567 1.00 0.00 C ATOM 592 CG PRO A 40 -4.755 -13.114 4.676 1.00 0.00 C ATOM 593 CD PRO A 40 -5.441 -12.235 5.718 1.00 0.00 C ATOM 0 HA PRO A 40 -4.995 -10.075 3.329 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.358 -12.632 2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.354 -11.748 3.725 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.426 -13.889 4.305 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.884 -13.619 5.093 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.305 -12.742 6.147 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.764 -12.006 6.541 1.00 0.00 H new ATOM 601 N GLN A 41 -7.741 -11.632 3.147 1.00 0.00 N ATOM 602 CA GLN A 41 -8.942 -11.732 2.344 1.00 0.00 C ATOM 603 C GLN A 41 -9.515 -10.353 2.006 1.00 0.00 C ATOM 604 O GLN A 41 -10.139 -10.237 0.951 1.00 0.00 O ATOM 605 CB GLN A 41 -9.957 -12.628 3.070 1.00 0.00 C ATOM 606 CG GLN A 41 -11.193 -12.979 2.231 1.00 0.00 C ATOM 607 CD GLN A 41 -10.844 -13.725 0.950 1.00 0.00 C ATOM 608 OE1 GLN A 41 -10.526 -14.916 0.966 1.00 0.00 O ATOM 609 NE2 GLN A 41 -10.823 -13.045 -0.180 1.00 0.00 N ATOM 0 H GLN A 41 -7.880 -11.887 4.125 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.698 -12.191 1.386 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.461 -13.551 3.371 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.280 -12.127 3.983 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.871 -13.589 2.828 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.727 -12.063 1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.087 -12.060 -0.187 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.543 -13.504 -1.046 1.00 0.00 H new ATOM 618 N VAL A 42 -9.316 -9.311 2.829 1.00 0.00 N ATOM 619 CA VAL A 42 -9.778 -7.984 2.424 1.00 0.00 C ATOM 620 C VAL A 42 -8.836 -7.402 1.370 1.00 0.00 C ATOM 621 O VAL A 42 -9.321 -6.768 0.445 1.00 0.00 O ATOM 622 CB VAL A 42 -10.088 -7.033 3.598 1.00 0.00 C ATOM 623 CG1 VAL A 42 -11.125 -7.661 4.542 1.00 0.00 C ATOM 624 CG2 VAL A 42 -8.891 -6.573 4.433 1.00 0.00 C ATOM 0 H VAL A 42 -8.858 -9.359 3.739 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.756 -8.104 1.958 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.469 -6.138 3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.331 -6.975 5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.046 -7.856 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.735 -8.598 4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.234 -5.910 5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.399 -7.441 4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.185 -6.041 3.795 1.00 0.00 H new ATOM 634 N ILE A 43 -7.526 -7.675 1.431 1.00 0.00 N ATOM 635 CA ILE A 43 -6.550 -7.192 0.448 1.00 0.00 C ATOM 636 C ILE A 43 -6.912 -7.711 -0.942 1.00 0.00 C ATOM 637 O ILE A 43 -7.031 -6.942 -1.897 1.00 0.00 O ATOM 638 CB ILE A 43 -5.119 -7.625 0.847 1.00 0.00 C ATOM 639 CG1 ILE A 43 -4.745 -7.180 2.276 1.00 0.00 C ATOM 640 CG2 ILE A 43 -4.073 -7.132 -0.173 1.00 0.00 C ATOM 641 CD1 ILE A 43 -4.947 -5.686 2.552 1.00 0.00 C ATOM 0 H ILE A 43 -7.111 -8.242 2.171 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.576 -6.102 0.428 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.114 -8.715 0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.341 -7.751 2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.701 -7.432 2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.080 -7.454 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.298 -7.549 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.101 -6.044 -0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.659 -5.464 3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.330 -5.103 1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.996 -5.427 2.405 1.00 0.00 H new ATOM 653 N ALA A 44 -7.092 -9.028 -1.048 1.00 0.00 N ATOM 654 CA ALA A 44 -7.395 -9.657 -2.318 1.00 0.00 C ATOM 655 C ALA A 44 -8.719 -9.143 -2.890 1.00 0.00 C ATOM 656 O ALA A 44 -8.887 -9.067 -4.111 1.00 0.00 O ATOM 657 CB ALA A 44 -7.419 -11.169 -2.110 1.00 0.00 C ATOM 0 H ALA A 44 -7.031 -9.675 -0.262 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.627 -9.404 -3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.646 -11.663 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.445 -11.502 -1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.183 -11.423 -1.375 1.00 0.00 H new ATOM 663 N ASP A 45 -9.659 -8.795 -2.016 1.00 0.00 N ATOM 664 CA ASP A 45 -10.964 -8.285 -2.397 1.00 0.00 C ATOM 665 C ASP A 45 -10.875 -6.814 -2.796 1.00 0.00 C ATOM 666 O ASP A 45 -11.559 -6.425 -3.740 1.00 0.00 O ATOM 667 CB ASP A 45 -11.953 -8.494 -1.248 1.00 0.00 C ATOM 668 CG ASP A 45 -12.628 -9.868 -1.283 1.00 0.00 C ATOM 669 OD1 ASP A 45 -12.052 -10.848 -1.805 1.00 0.00 O ATOM 670 OD2 ASP A 45 -13.737 -9.971 -0.711 1.00 0.00 O ATOM 0 H ASP A 45 -9.529 -8.862 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.323 -8.835 -3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.429 -8.376 -0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.718 -7.718 -1.288 1.00 0.00 H new ATOM 675 N TYR A 46 -10.030 -6.010 -2.141 1.00 0.00 N ATOM 676 CA TYR A 46 -9.722 -4.622 -2.483 1.00 0.00 C ATOM 677 C TYR A 46 -9.254 -4.529 -3.935 1.00 0.00 C ATOM 678 O TYR A 46 -9.735 -3.664 -4.671 1.00 0.00 O ATOM 679 CB TYR A 46 -8.625 -4.078 -1.546 1.00 0.00 C ATOM 680 CG TYR A 46 -9.047 -3.012 -0.557 1.00 0.00 C ATOM 681 CD1 TYR A 46 -8.980 -1.653 -0.910 1.00 0.00 C ATOM 682 CD2 TYR A 46 -9.412 -3.372 0.751 1.00 0.00 C ATOM 683 CE1 TYR A 46 -9.234 -0.655 0.048 1.00 0.00 C ATOM 684 CE2 TYR A 46 -9.679 -2.387 1.712 1.00 0.00 C ATOM 685 CZ TYR A 46 -9.574 -1.019 1.369 1.00 0.00 C ATOM 686 OH TYR A 46 -9.766 -0.055 2.309 1.00 0.00 O ATOM 0 H TYR A 46 -9.519 -6.328 -1.318 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.625 -4.023 -2.362 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.208 -4.916 -0.987 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.821 -3.673 -2.161 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.732 -1.373 -1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.487 -4.416 1.018 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.169 0.388 -0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.965 -2.673 2.714 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.399 -0.378 2.984 1.00 0.00 H new ATOM 696 N GLU A 47 -8.337 -5.417 -4.341 1.00 0.00 N ATOM 697 CA GLU A 47 -7.818 -5.490 -5.704 1.00 0.00 C ATOM 698 C GLU A 47 -8.944 -5.754 -6.701 1.00 0.00 C ATOM 699 O GLU A 47 -9.039 -5.066 -7.716 1.00 0.00 O ATOM 700 CB GLU A 47 -6.728 -6.570 -5.816 1.00 0.00 C ATOM 701 CG GLU A 47 -5.339 -6.003 -5.506 1.00 0.00 C ATOM 702 CD GLU A 47 -4.285 -7.107 -5.449 1.00 0.00 C ATOM 703 OE1 GLU A 47 -4.035 -7.795 -6.460 1.00 0.00 O ATOM 704 OE2 GLU A 47 -3.696 -7.342 -4.374 1.00 0.00 O ATOM 0 H GLU A 47 -7.931 -6.115 -3.717 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.369 -4.527 -5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.951 -7.385 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.734 -6.991 -6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.064 -5.274 -6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.365 -5.473 -4.554 1.00 0.00 H new ATOM 711 N SER A 48 -9.796 -6.744 -6.427 1.00 0.00 N ATOM 712 CA SER A 48 -10.893 -7.090 -7.324 1.00 0.00 C ATOM 713 C SER A 48 -12.021 -6.046 -7.291 1.00 0.00 C ATOM 714 O SER A 48 -12.846 -5.997 -8.204 1.00 0.00 O ATOM 715 CB SER A 48 -11.433 -8.463 -6.928 1.00 0.00 C ATOM 716 OG SER A 48 -11.713 -9.243 -8.077 1.00 0.00 O ATOM 0 H SER A 48 -9.744 -7.320 -5.587 1.00 0.00 H new ATOM 0 HA SER A 48 -10.511 -7.110 -8.345 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.705 -8.978 -6.301 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.339 -8.345 -6.333 1.00 0.00 H new ATOM 0 HG SER A 48 -12.056 -10.119 -7.802 1.00 0.00 H new ATOM 722 N GLY A 49 -12.091 -5.232 -6.236 1.00 0.00 N ATOM 723 CA GLY A 49 -13.048 -4.148 -6.078 1.00 0.00 C ATOM 724 C GLY A 49 -14.134 -4.433 -5.042 1.00 0.00 C ATOM 725 O GLY A 49 -14.959 -3.563 -4.774 1.00 0.00 O ATOM 0 H GLY A 49 -11.457 -5.317 -5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.514 -3.242 -5.791 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.520 -3.949 -7.040 1.00 0.00 H new ATOM 729 N ARG A 50 -14.156 -5.623 -4.443 1.00 0.00 N ATOM 730 CA ARG A 50 -15.240 -6.108 -3.590 1.00 0.00 C ATOM 731 C ARG A 50 -15.272 -5.389 -2.249 1.00 0.00 C ATOM 732 O ARG A 50 -16.328 -4.875 -1.868 1.00 0.00 O ATOM 733 CB ARG A 50 -15.073 -7.617 -3.372 1.00 0.00 C ATOM 734 CG ARG A 50 -15.238 -8.421 -4.663 1.00 0.00 C ATOM 735 CD ARG A 50 -16.587 -9.141 -4.695 1.00 0.00 C ATOM 736 NE ARG A 50 -16.789 -9.746 -6.010 1.00 0.00 N ATOM 737 CZ ARG A 50 -17.813 -10.503 -6.397 1.00 0.00 C ATOM 738 NH1 ARG A 50 -18.759 -10.860 -5.533 1.00 0.00 N ATOM 739 NH2 ARG A 50 -17.875 -10.877 -7.664 1.00 0.00 N ATOM 0 H ARG A 50 -13.397 -6.297 -4.541 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.186 -5.903 -4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.087 -7.812 -2.951 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -15.806 -7.958 -2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.157 -7.755 -5.522 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.431 -9.149 -4.747 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.619 -9.908 -3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -17.391 -8.437 -4.480 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.066 -9.569 -6.707 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.705 -10.553 -4.562 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.539 -11.440 -5.842 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.149 -10.585 -8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.649 -11.457 -7.987 1.00 0.00 H new ATOM 753 N ALA A 51 -14.139 -5.361 -1.541 1.00 0.00 N ATOM 754 CA ALA A 51 -14.046 -4.796 -0.200 1.00 0.00 C ATOM 755 C ALA A 51 -14.497 -3.338 -0.246 1.00 0.00 C ATOM 756 O ALA A 51 -14.032 -2.589 -1.109 1.00 0.00 O ATOM 757 CB ALA A 51 -12.609 -4.909 0.324 1.00 0.00 C ATOM 0 H ALA A 51 -13.256 -5.734 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.693 -5.349 0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.553 -4.484 1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.316 -5.958 0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.936 -4.365 -0.339 1.00 0.00 H new ATOM 763 N ILE A 52 -15.414 -2.948 0.639 1.00 0.00 N ATOM 764 CA ILE A 52 -15.832 -1.558 0.773 1.00 0.00 C ATOM 765 C ILE A 52 -14.645 -0.808 1.386 1.00 0.00 C ATOM 766 O ILE A 52 -14.191 -1.194 2.469 1.00 0.00 O ATOM 767 CB ILE A 52 -17.099 -1.427 1.629 1.00 0.00 C ATOM 768 CG1 ILE A 52 -18.290 -2.191 1.018 1.00 0.00 C ATOM 769 CG2 ILE A 52 -17.476 0.048 1.829 1.00 0.00 C ATOM 770 CD1 ILE A 52 -18.835 -1.657 -0.315 1.00 0.00 C ATOM 0 H ILE A 52 -15.885 -3.586 1.280 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.096 -1.134 -0.196 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.873 -1.873 2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.991 -3.229 0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -19.103 -2.192 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.377 0.114 2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -16.660 0.567 2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -17.659 0.511 0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.670 -2.278 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.176 -0.630 -0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.047 -1.684 -1.067 1.00 0.00 H new ATOM 782 N PRO A 53 -14.086 0.208 0.715 1.00 0.00 N ATOM 783 CA PRO A 53 -12.851 0.814 1.168 1.00 0.00 C ATOM 784 C PRO A 53 -13.143 1.881 2.234 1.00 0.00 C ATOM 785 O PRO A 53 -13.681 2.955 1.947 1.00 0.00 O ATOM 786 CB PRO A 53 -12.249 1.380 -0.117 1.00 0.00 C ATOM 787 CG PRO A 53 -13.472 1.806 -0.928 1.00 0.00 C ATOM 788 CD PRO A 53 -14.497 0.737 -0.575 1.00 0.00 C ATOM 0 HA PRO A 53 -12.161 0.126 1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.589 2.223 0.087 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.657 0.633 -0.646 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.815 2.803 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.261 1.828 -1.997 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.501 1.159 -0.523 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.520 -0.048 -1.331 1.00 0.00 H new ATOM 796 N ASN A 54 -12.705 1.630 3.468 1.00 0.00 N ATOM 797 CA ASN A 54 -12.873 2.573 4.568 1.00 0.00 C ATOM 798 C ASN A 54 -11.769 3.602 4.443 1.00 0.00 C ATOM 799 O ASN A 54 -10.630 3.233 4.161 1.00 0.00 O ATOM 800 CB ASN A 54 -12.759 1.871 5.933 1.00 0.00 C ATOM 801 CG ASN A 54 -14.086 1.356 6.473 1.00 0.00 C ATOM 802 OD1 ASN A 54 -15.125 1.396 5.828 1.00 0.00 O ATOM 803 ND2 ASN A 54 -14.088 0.848 7.692 1.00 0.00 N ATOM 0 H ASN A 54 -12.225 0.769 3.730 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.862 3.029 4.514 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.065 1.035 5.844 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.330 2.567 6.654 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.954 0.490 8.094 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.223 0.814 8.232 1.00 0.00 H new ATOM 810 N ASN A 55 -12.064 4.869 4.733 1.00 0.00 N ATOM 811 CA ASN A 55 -11.099 5.968 4.666 1.00 0.00 C ATOM 812 C ASN A 55 -9.860 5.692 5.524 1.00 0.00 C ATOM 813 O ASN A 55 -8.742 5.977 5.100 1.00 0.00 O ATOM 814 CB ASN A 55 -11.788 7.268 5.103 1.00 0.00 C ATOM 815 CG ASN A 55 -10.982 8.501 4.719 1.00 0.00 C ATOM 816 OD1 ASN A 55 -10.716 8.745 3.544 1.00 0.00 O ATOM 817 ND2 ASN A 55 -10.599 9.324 5.675 1.00 0.00 N ATOM 0 H ASN A 55 -12.995 5.166 5.026 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.753 6.065 3.637 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.776 7.325 4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.936 7.254 6.183 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.078 10.170 5.442 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.823 9.115 6.648 1.00 0.00 H new ATOM 824 N GLN A 56 -10.045 5.087 6.704 1.00 0.00 N ATOM 825 CA GLN A 56 -8.949 4.659 7.564 1.00 0.00 C ATOM 826 C GLN A 56 -8.153 3.517 6.926 1.00 0.00 C ATOM 827 O GLN A 56 -6.930 3.602 6.872 1.00 0.00 O ATOM 828 CB GLN A 56 -9.464 4.243 8.956 1.00 0.00 C ATOM 829 CG GLN A 56 -9.501 5.407 9.962 1.00 0.00 C ATOM 830 CD GLN A 56 -10.867 6.080 10.089 1.00 0.00 C ATOM 831 OE1 GLN A 56 -11.337 6.776 9.188 1.00 0.00 O ATOM 832 NE2 GLN A 56 -11.539 5.896 11.211 1.00 0.00 N ATOM 0 H GLN A 56 -10.968 4.882 7.086 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.281 5.511 7.686 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.466 3.826 8.856 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -8.827 3.451 9.350 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.198 5.036 10.941 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.766 6.155 9.663 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -11.144 5.318 11.953 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.453 6.331 11.335 1.00 0.00 H new ATOM 841 N VAL A 57 -8.799 2.443 6.460 1.00 0.00 N ATOM 842 CA VAL A 57 -8.091 1.281 5.916 1.00 0.00 C ATOM 843 C VAL A 57 -7.329 1.679 4.651 1.00 0.00 C ATOM 844 O VAL A 57 -6.154 1.339 4.532 1.00 0.00 O ATOM 845 CB VAL A 57 -9.060 0.110 5.671 1.00 0.00 C ATOM 846 CG1 VAL A 57 -8.326 -1.100 5.076 1.00 0.00 C ATOM 847 CG2 VAL A 57 -9.719 -0.339 6.984 1.00 0.00 C ATOM 0 H VAL A 57 -9.815 2.355 6.449 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.361 0.933 6.647 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.817 0.467 4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.035 -1.912 4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.872 -0.819 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.549 -1.430 5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.399 -1.167 6.785 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.950 -0.662 7.685 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.276 0.493 7.414 1.00 0.00 H new ATOM 857 N LEU A 58 -7.951 2.457 3.762 1.00 0.00 N ATOM 858 CA LEU A 58 -7.301 3.164 2.664 1.00 0.00 C ATOM 859 C LEU A 58 -6.033 3.847 3.178 1.00 0.00 C ATOM 860 O LEU A 58 -4.955 3.625 2.637 1.00 0.00 O ATOM 861 CB LEU A 58 -8.284 4.194 2.072 1.00 0.00 C ATOM 862 CG LEU A 58 -9.302 3.609 1.081 1.00 0.00 C ATOM 863 CD1 LEU A 58 -10.436 4.620 0.883 1.00 0.00 C ATOM 864 CD2 LEU A 58 -8.675 3.297 -0.281 1.00 0.00 C ATOM 0 H LEU A 58 -8.958 2.615 3.791 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.018 2.463 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.825 4.672 2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.713 4.974 1.568 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.673 2.673 1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.165 4.216 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.922 4.814 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.029 5.551 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.435 2.886 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.271 4.212 -0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.872 2.571 -0.154 1.00 0.00 H new ATOM 876 N GLY A 59 -6.134 4.629 4.253 1.00 0.00 N ATOM 877 CA GLY A 59 -5.004 5.313 4.862 1.00 0.00 C ATOM 878 C GLY A 59 -3.898 4.376 5.356 1.00 0.00 C ATOM 879 O GLY A 59 -2.720 4.734 5.298 1.00 0.00 O ATOM 0 H GLY A 59 -7.019 4.805 4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.580 6.008 4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.363 5.908 5.702 1.00 0.00 H new ATOM 883 N LYS A 60 -4.232 3.167 5.819 1.00 0.00 N ATOM 884 CA LYS A 60 -3.234 2.177 6.198 1.00 0.00 C ATOM 885 C LYS A 60 -2.556 1.631 4.945 1.00 0.00 C ATOM 886 O LYS A 60 -1.328 1.574 4.887 1.00 0.00 O ATOM 887 CB LYS A 60 -3.875 1.049 7.013 1.00 0.00 C ATOM 888 CG LYS A 60 -4.536 1.525 8.316 1.00 0.00 C ATOM 889 CD LYS A 60 -4.870 0.351 9.240 1.00 0.00 C ATOM 890 CE LYS A 60 -6.077 -0.486 8.802 1.00 0.00 C ATOM 891 NZ LYS A 60 -6.312 -1.608 9.735 1.00 0.00 N ATOM 0 H LYS A 60 -5.195 2.854 5.939 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.480 2.651 6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.623 0.549 6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.113 0.308 7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.869 2.216 8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.447 2.076 8.082 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.999 -0.300 9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.057 0.737 10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.964 0.145 8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.910 -0.873 7.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.174 -2.118 9.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.501 -2.258 9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.427 -1.238 10.700 1.00 0.00 H new ATOM 905 N ILE A 61 -3.340 1.245 3.933 1.00 0.00 N ATOM 906 CA ILE A 61 -2.841 0.740 2.656 1.00 0.00 C ATOM 907 C ILE A 61 -1.873 1.747 2.041 1.00 0.00 C ATOM 908 O ILE A 61 -0.878 1.351 1.436 1.00 0.00 O ATOM 909 CB ILE A 61 -4.020 0.403 1.715 1.00 0.00 C ATOM 910 CG1 ILE A 61 -4.747 -0.850 2.235 1.00 0.00 C ATOM 911 CG2 ILE A 61 -3.544 0.166 0.269 1.00 0.00 C ATOM 912 CD1 ILE A 61 -5.899 -1.254 1.319 1.00 0.00 C ATOM 0 H ILE A 61 -4.358 1.277 3.983 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.288 -0.186 2.818 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.701 1.254 1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.039 -1.675 2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.129 -0.659 3.238 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.401 -0.068 -0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.053 1.065 -0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.841 -0.666 0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.388 -2.142 1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.620 -0.439 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.513 -1.470 0.323 1.00 0.00 H new ATOM 924 N GLU A 62 -2.127 3.041 2.203 1.00 0.00 N ATOM 925 CA GLU A 62 -1.211 4.056 1.705 1.00 0.00 C ATOM 926 C GLU A 62 0.189 3.857 2.273 1.00 0.00 C ATOM 927 O GLU A 62 1.145 3.771 1.508 1.00 0.00 O ATOM 928 CB GLU A 62 -1.719 5.475 2.009 1.00 0.00 C ATOM 929 CG GLU A 62 -2.951 5.846 1.192 1.00 0.00 C ATOM 930 CD GLU A 62 -3.717 7.079 1.662 1.00 0.00 C ATOM 931 OE1 GLU A 62 -3.406 7.631 2.745 1.00 0.00 O ATOM 932 OE2 GLU A 62 -4.661 7.487 0.945 1.00 0.00 O ATOM 0 H GLU A 62 -2.955 3.408 2.672 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.162 3.944 0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.955 5.552 3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.924 6.192 1.806 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.643 6.006 0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.633 4.996 1.193 1.00 0.00 H new ATOM 939 N ARG A 63 0.331 3.717 3.594 1.00 0.00 N ATOM 940 CA ARG A 63 1.633 3.460 4.221 1.00 0.00 C ATOM 941 C ARG A 63 2.198 2.100 3.825 1.00 0.00 C ATOM 942 O ARG A 63 3.415 1.920 3.820 1.00 0.00 O ATOM 943 CB ARG A 63 1.525 3.592 5.749 1.00 0.00 C ATOM 944 CG ARG A 63 1.095 5.018 6.109 1.00 0.00 C ATOM 945 CD ARG A 63 1.242 5.339 7.600 1.00 0.00 C ATOM 946 NE ARG A 63 0.825 6.726 7.870 1.00 0.00 N ATOM 947 CZ ARG A 63 -0.426 7.204 7.866 1.00 0.00 C ATOM 948 NH1 ARG A 63 -1.481 6.397 7.795 1.00 0.00 N ATOM 949 NH2 ARG A 63 -0.596 8.514 7.910 1.00 0.00 N ATOM 0 H ARG A 63 -0.444 3.778 4.254 1.00 0.00 H new ATOM 0 HA ARG A 63 2.332 4.212 3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.802 2.874 6.137 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.484 3.362 6.213 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.690 5.726 5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.055 5.161 5.815 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.637 4.649 8.188 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.278 5.197 7.909 1.00 0.00 H new ATOM 0 HE ARG A 63 1.567 7.392 8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.348 5.387 7.742 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.423 6.788 7.794 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.214 9.133 7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.537 8.906 7.908 1.00 0.00 H new ATOM 963 N ALA A 64 1.337 1.159 3.449 1.00 0.00 N ATOM 964 CA ALA A 64 1.725 -0.179 3.040 1.00 0.00 C ATOM 965 C ALA A 64 2.546 -0.194 1.743 1.00 0.00 C ATOM 966 O ALA A 64 3.420 -1.047 1.596 1.00 0.00 O ATOM 967 CB ALA A 64 0.473 -1.036 2.886 1.00 0.00 C ATOM 0 H ALA A 64 0.329 1.313 3.421 1.00 0.00 H new ATOM 0 HA ALA A 64 2.372 -0.588 3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.757 -2.043 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.055 -1.083 3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.178 -0.596 2.131 1.00 0.00 H new ATOM 973 N ILE A 65 2.274 0.718 0.800 1.00 0.00 N ATOM 974 CA ILE A 65 2.998 0.816 -0.478 1.00 0.00 C ATOM 975 C ILE A 65 3.735 2.157 -0.626 1.00 0.00 C ATOM 976 O ILE A 65 4.557 2.310 -1.527 1.00 0.00 O ATOM 977 CB ILE A 65 2.044 0.574 -1.658 1.00 0.00 C ATOM 978 CG1 ILE A 65 0.886 1.593 -1.713 1.00 0.00 C ATOM 979 CG2 ILE A 65 1.533 -0.873 -1.585 1.00 0.00 C ATOM 980 CD1 ILE A 65 0.098 1.519 -3.019 1.00 0.00 C ATOM 0 H ILE A 65 1.538 1.416 0.902 1.00 0.00 H new ATOM 0 HA ILE A 65 3.760 0.036 -0.483 1.00 0.00 H new ATOM 0 HB ILE A 65 2.594 0.722 -2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.211 1.416 -0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.287 2.599 -1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.854 -1.061 -2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.377 -1.560 -1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.005 -1.025 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.704 2.257 -3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.763 1.724 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.329 0.522 -3.130 1.00 0.00 H new ATOM 992 N GLY A 66 3.451 3.121 0.246 1.00 0.00 N ATOM 993 CA GLY A 66 3.975 4.477 0.224 1.00 0.00 C ATOM 994 C GLY A 66 3.434 5.311 -0.923 1.00 0.00 C ATOM 995 O GLY A 66 4.158 6.174 -1.418 1.00 0.00 O ATOM 0 H GLY A 66 2.814 2.965 1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.733 4.968 1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.062 4.438 0.155 1.00 0.00 H new ATOM 999 N LEU A 67 2.163 5.134 -1.299 1.00 0.00 N ATOM 1000 CA LEU A 67 1.480 6.000 -2.257 1.00 0.00 C ATOM 1001 C LEU A 67 0.087 6.351 -1.739 1.00 0.00 C ATOM 1002 O LEU A 67 -0.407 5.701 -0.826 1.00 0.00 O ATOM 1003 CB LEU A 67 1.325 5.317 -3.630 1.00 0.00 C ATOM 1004 CG LEU A 67 2.596 4.770 -4.305 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.166 3.963 -5.539 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.586 5.875 -4.709 1.00 0.00 C ATOM 0 H LEU A 67 1.578 4.379 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 67 2.087 6.898 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.624 4.490 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.865 6.033 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 67 3.124 4.143 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.049 3.563 -6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.520 3.141 -5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.623 4.611 -6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.461 5.426 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.105 6.555 -5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.895 6.429 -3.822 1.00 0.00 H new ATOM 1018 N LYS A 68 -0.537 7.371 -2.328 1.00 0.00 N ATOM 1019 CA LYS A 68 -1.912 7.804 -2.123 1.00 0.00 C ATOM 1020 C LYS A 68 -2.853 6.769 -2.718 1.00 0.00 C ATOM 1021 O LYS A 68 -2.620 6.286 -3.829 1.00 0.00 O ATOM 1022 CB LYS A 68 -2.167 9.135 -2.851 1.00 0.00 C ATOM 1023 CG LYS A 68 -1.468 10.352 -2.230 1.00 0.00 C ATOM 1024 CD LYS A 68 -1.811 11.589 -3.071 1.00 0.00 C ATOM 1025 CE LYS A 68 -1.165 12.879 -2.563 1.00 0.00 C ATOM 1026 NZ LYS A 68 -1.833 13.372 -1.344 1.00 0.00 N ATOM 0 H LYS A 68 -0.056 7.957 -3.010 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.082 7.924 -1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.841 9.035 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.241 9.322 -2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.794 10.492 -1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.389 10.198 -2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.495 11.416 -4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.893 11.717 -3.087 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.110 12.702 -2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.213 13.642 -3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.371 14.248 -1.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.834 13.564 -1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.765 12.653 -0.596 1.00 0.00 H new ATOM 1040 N LEU A 69 -3.963 6.524 -2.026 1.00 0.00 N ATOM 1041 CA LEU A 69 -5.041 5.625 -2.428 1.00 0.00 C ATOM 1042 C LEU A 69 -6.349 6.410 -2.581 1.00 0.00 C ATOM 1043 O LEU A 69 -7.404 5.809 -2.770 1.00 0.00 O ATOM 1044 CB LEU A 69 -5.182 4.511 -1.377 1.00 0.00 C ATOM 1045 CG LEU A 69 -4.258 3.293 -1.536 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.735 2.371 -2.650 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.785 3.566 -1.817 1.00 0.00 C ATOM 0 H LEU A 69 -4.144 6.969 -1.126 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.809 5.172 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.005 4.946 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.214 4.160 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.321 2.846 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.058 1.521 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.739 2.014 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.750 2.917 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.250 2.620 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.690 4.126 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.360 4.147 -0.999 1.00 0.00 H new ATOM 1059 N ARG A 70 -6.310 7.741 -2.465 1.00 0.00 N ATOM 1060 CA ARG A 70 -7.474 8.616 -2.486 1.00 0.00 C ATOM 1061 C ARG A 70 -7.139 9.852 -3.309 1.00 0.00 C ATOM 1062 O ARG A 70 -5.964 10.163 -3.514 1.00 0.00 O ATOM 1063 CB ARG A 70 -7.859 8.993 -1.047 1.00 0.00 C ATOM 1064 CG ARG A 70 -8.412 7.797 -0.250 1.00 0.00 C ATOM 1065 CD ARG A 70 -8.535 8.124 1.238 1.00 0.00 C ATOM 1066 NE ARG A 70 -7.211 8.284 1.852 1.00 0.00 N ATOM 1067 CZ ARG A 70 -6.952 8.883 3.013 1.00 0.00 C ATOM 1068 NH1 ARG A 70 -7.928 9.326 3.796 1.00 0.00 N ATOM 1069 NH2 ARG A 70 -5.695 9.046 3.376 1.00 0.00 N ATOM 0 H ARG A 70 -5.434 8.251 -2.350 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.326 8.110 -2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.985 9.394 -0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.606 9.786 -1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.389 7.516 -0.644 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.756 6.936 -0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.113 9.039 1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.081 7.329 1.745 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.415 7.901 1.342 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.901 9.211 3.513 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.705 9.782 4.681 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.943 8.716 2.772 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.475 9.502 4.261 1.00 0.00 H new ATOM 1083 N GLY A 71 -8.178 10.567 -3.734 1.00 0.00 N ATOM 1084 CA GLY A 71 -8.104 11.583 -4.767 1.00 0.00 C ATOM 1085 C GLY A 71 -7.789 10.952 -6.121 1.00 0.00 C ATOM 1086 O GLY A 71 -7.430 9.776 -6.218 1.00 0.00 O ATOM 0 H GLY A 71 -9.118 10.448 -3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.050 12.122 -4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.335 12.313 -4.512 1.00 0.00 H new ATOM 1090 N LYS A 72 -7.886 11.757 -7.178 1.00 0.00 N ATOM 1091 CA LYS A 72 -7.386 11.407 -8.507 1.00 0.00 C ATOM 1092 C LYS A 72 -5.857 11.374 -8.520 1.00 0.00 C ATOM 1093 O LYS A 72 -5.265 10.768 -9.409 1.00 0.00 O ATOM 1094 CB LYS A 72 -7.938 12.415 -9.521 1.00 0.00 C ATOM 1095 CG LYS A 72 -7.742 11.956 -10.973 1.00 0.00 C ATOM 1096 CD LYS A 72 -8.338 12.939 -11.980 1.00 0.00 C ATOM 1097 CE LYS A 72 -9.858 13.076 -11.844 1.00 0.00 C ATOM 1098 NZ LYS A 72 -10.388 14.070 -12.793 1.00 0.00 N ATOM 0 H LYS A 72 -8.318 12.680 -7.136 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.726 10.408 -8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.000 12.570 -9.333 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.445 13.377 -9.378 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.677 11.836 -11.173 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.204 10.978 -11.107 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.876 13.917 -11.844 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.096 12.609 -12.990 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.331 12.110 -12.022 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.110 13.371 -10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.419 14.143 -12.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.953 14.996 -12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.167 13.774 -13.765 1.00 0.00 H new ATOM 1112 N ASP A 73 -5.208 11.950 -7.507 1.00 0.00 N ATOM 1113 CA ASP A 73 -3.767 11.882 -7.270 1.00 0.00 C ATOM 1114 C ASP A 73 -3.327 10.472 -6.839 1.00 0.00 C ATOM 1115 O ASP A 73 -2.254 10.307 -6.261 1.00 0.00 O ATOM 1116 CB ASP A 73 -3.337 12.908 -6.205 1.00 0.00 C ATOM 1117 CG ASP A 73 -3.892 14.315 -6.430 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -3.484 14.961 -7.422 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -4.703 14.768 -5.587 1.00 0.00 O ATOM 0 H ASP A 73 -5.694 12.500 -6.799 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.277 12.120 -8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.659 12.555 -5.225 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.248 12.958 -6.184 1.00 0.00 H new ATOM 1124 N ILE A 74 -4.151 9.446 -7.050 1.00 0.00 N ATOM 1125 CA ILE A 74 -3.859 8.079 -6.684 1.00 0.00 C ATOM 1126 C ILE A 74 -2.537 7.634 -7.320 1.00 0.00 C ATOM 1127 O ILE A 74 -2.179 8.067 -8.425 1.00 0.00 O ATOM 1128 CB ILE A 74 -5.073 7.211 -7.073 1.00 0.00 C ATOM 1129 CG1 ILE A 74 -5.217 6.097 -6.031 1.00 0.00 C ATOM 1130 CG2 ILE A 74 -5.126 6.836 -8.567 1.00 0.00 C ATOM 1131 CD1 ILE A 74 -6.348 5.119 -6.320 1.00 0.00 C ATOM 0 H ILE A 74 -5.063 9.556 -7.493 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.711 7.970 -5.610 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.999 7.784 -7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.279 5.545 -5.973 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.382 6.548 -5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.009 6.226 -8.758 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.175 7.744 -9.168 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.231 6.273 -8.833 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.383 4.362 -5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.296 5.657 -6.348 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.176 4.638 -7.283 1.00 0.00 H new ATOM 1143 N GLY A 75 -1.801 6.773 -6.618 1.00 0.00 N ATOM 1144 CA GLY A 75 -0.520 6.268 -7.086 1.00 0.00 C ATOM 1145 C GLY A 75 0.617 7.290 -6.985 1.00 0.00 C ATOM 1146 O GLY A 75 1.762 6.961 -7.298 1.00 0.00 O ATOM 0 H GLY A 75 -2.081 6.408 -5.708 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.254 5.383 -6.507 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.621 5.951 -8.124 1.00 0.00 H new ATOM 1150 N LYS A 76 0.358 8.517 -6.526 1.00 0.00 N ATOM 1151 CA LYS A 76 1.391 9.487 -6.219 1.00 0.00 C ATOM 1152 C LYS A 76 1.875 9.243 -4.790 1.00 0.00 C ATOM 1153 O LYS A 76 1.104 8.779 -3.960 1.00 0.00 O ATOM 1154 CB LYS A 76 0.836 10.904 -6.333 1.00 0.00 C ATOM 1155 CG LYS A 76 0.356 11.229 -7.753 1.00 0.00 C ATOM 1156 CD LYS A 76 1.433 11.998 -8.505 1.00 0.00 C ATOM 1157 CE LYS A 76 1.102 12.284 -9.969 1.00 0.00 C ATOM 1158 NZ LYS A 76 1.013 11.085 -10.821 1.00 0.00 N ATOM 0 H LYS A 76 -0.588 8.860 -6.358 1.00 0.00 H new ATOM 0 HA LYS A 76 2.216 9.379 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.007 11.024 -5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.606 11.618 -6.040 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.117 10.308 -8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.560 11.818 -7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.610 12.944 -7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.364 11.433 -8.460 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.153 12.819 -10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.863 12.949 -10.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.786 11.368 -11.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.924 10.583 -10.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.267 10.457 -10.460 1.00 0.00 H new ATOM 1172 N PRO A 77 3.128 9.556 -4.470 1.00 0.00 N ATOM 1173 CA PRO A 77 3.746 9.254 -3.188 1.00 0.00 C ATOM 1174 C PRO A 77 3.185 10.096 -2.033 1.00 0.00 C ATOM 1175 O PRO A 77 2.551 11.142 -2.236 1.00 0.00 O ATOM 1176 CB PRO A 77 5.251 9.416 -3.418 1.00 0.00 C ATOM 1177 CG PRO A 77 5.372 10.257 -4.688 1.00 0.00 C ATOM 1178 CD PRO A 77 4.071 10.033 -5.439 1.00 0.00 C ATOM 0 HA PRO A 77 3.519 8.240 -2.859 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.728 9.910 -2.571 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.738 8.448 -3.538 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.513 11.311 -4.450 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.230 9.947 -5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.723 10.958 -5.899 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.205 9.308 -6.242 1.00 0.00 H new ATOM 1186 N ILE A 78 3.419 9.619 -0.807 1.00 0.00 N ATOM 1187 CA ILE A 78 2.910 10.190 0.439 1.00 0.00 C ATOM 1188 C ILE A 78 4.050 10.757 1.287 1.00 0.00 C ATOM 1189 O ILE A 78 5.208 10.357 1.142 1.00 0.00 O ATOM 1190 CB ILE A 78 2.039 9.165 1.206 1.00 0.00 C ATOM 1191 CG1 ILE A 78 2.760 7.839 1.506 1.00 0.00 C ATOM 1192 CG2 ILE A 78 0.787 8.852 0.385 1.00 0.00 C ATOM 1193 CD1 ILE A 78 2.023 6.966 2.533 1.00 0.00 C ATOM 0 H ILE A 78 3.992 8.790 -0.651 1.00 0.00 H new ATOM 0 HA ILE A 78 2.257 11.028 0.196 1.00 0.00 H new ATOM 0 HB ILE A 78 1.796 9.627 2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.875 7.278 0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.763 8.054 1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.171 8.131 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.218 9.768 0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.079 8.434 -0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.585 6.047 2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.931 7.510 3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.030 6.722 2.157 1.00 0.00 H new ATOM 1205 N GLU A 79 3.686 11.664 2.195 1.00 0.00 N ATOM 1206 CA GLU A 79 4.553 12.503 3.023 1.00 0.00 C ATOM 1207 C GLU A 79 5.464 13.393 2.152 1.00 0.00 C ATOM 1208 O GLU A 79 5.338 13.403 0.926 1.00 0.00 O ATOM 1209 CB GLU A 79 5.327 11.658 4.058 1.00 0.00 C ATOM 1210 CG GLU A 79 4.555 10.510 4.737 1.00 0.00 C ATOM 1211 CD GLU A 79 3.144 10.872 5.212 1.00 0.00 C ATOM 1212 OE1 GLU A 79 2.979 11.649 6.183 1.00 0.00 O ATOM 1213 OE2 GLU A 79 2.170 10.363 4.617 1.00 0.00 O ATOM 0 H GLU A 79 2.700 11.845 2.385 1.00 0.00 H new ATOM 0 HA GLU A 79 3.927 13.184 3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.201 11.234 3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.694 12.327 4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.484 9.676 4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.132 10.160 5.593 1.00 0.00 H new ATOM 1220 N LYS A 80 6.346 14.200 2.754 1.00 0.00 N ATOM 1221 CA LYS A 80 7.303 15.012 1.998 1.00 0.00 C ATOM 1222 C LYS A 80 8.317 14.105 1.308 1.00 0.00 C ATOM 1223 O LYS A 80 8.976 13.298 1.972 1.00 0.00 O ATOM 1224 CB LYS A 80 8.029 16.029 2.900 1.00 0.00 C ATOM 1225 CG LYS A 80 7.202 17.309 3.073 1.00 0.00 C ATOM 1226 CD LYS A 80 7.932 18.453 3.784 1.00 0.00 C ATOM 1227 CE LYS A 80 6.990 19.657 3.907 1.00 0.00 C ATOM 1228 NZ LYS A 80 7.660 20.831 4.502 1.00 0.00 N ATOM 0 H LYS A 80 6.415 14.307 3.766 1.00 0.00 H new ATOM 0 HA LYS A 80 6.746 15.576 1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.220 15.582 3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.999 16.275 2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.884 17.655 2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.299 17.069 3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.261 18.131 4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.826 18.732 3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.608 19.920 2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.130 19.383 4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.986 21.620 4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.002 20.590 5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.465 21.111 3.906 1.00 0.00 H new ATOM 1242 N GLY A 81 8.493 14.297 0.006 1.00 0.00 N ATOM 1243 CA GLY A 81 9.543 13.703 -0.801 1.00 0.00 C ATOM 1244 C GLY A 81 9.684 14.528 -2.082 1.00 0.00 C ATOM 1245 O GLY A 81 8.813 15.360 -2.370 1.00 0.00 O ATOM 0 H GLY A 81 7.876 14.900 -0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.484 13.690 -0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 81 9.299 12.668 -1.040 1.00 0.00 H new ATOM 1249 N PRO A 82 10.768 14.351 -2.854 1.00 0.00 N ATOM 1250 CA PRO A 82 11.011 15.119 -4.068 1.00 0.00 C ATOM 1251 C PRO A 82 10.020 14.717 -5.162 1.00 0.00 C ATOM 1252 O PRO A 82 9.932 13.535 -5.510 1.00 0.00 O ATOM 1253 CB PRO A 82 12.465 14.841 -4.443 1.00 0.00 C ATOM 1254 CG PRO A 82 12.754 13.472 -3.835 1.00 0.00 C ATOM 1255 CD PRO A 82 11.868 13.434 -2.590 1.00 0.00 C ATOM 0 HA PRO A 82 10.860 16.189 -3.928 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.603 14.834 -5.524 1.00 0.00 H new ATOM 0 HB3 PRO A 82 13.132 15.604 -4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.507 12.667 -4.527 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.808 13.362 -3.580 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.499 12.425 -2.404 1.00 0.00 H new ATOM 0 HD3 PRO A 82 12.426 13.738 -1.704 1.00 0.00 H new ATOM 1263 N ARG A 83 9.262 15.685 -5.697 1.00 0.00 N ATOM 1264 CA ARG A 83 8.310 15.434 -6.784 1.00 0.00 C ATOM 1265 C ARG A 83 8.047 16.642 -7.682 1.00 0.00 C ATOM 1266 O ARG A 83 8.136 16.481 -8.901 1.00 0.00 O ATOM 1267 CB ARG A 83 6.998 14.838 -6.245 1.00 0.00 C ATOM 1268 CG ARG A 83 6.378 15.560 -5.037 1.00 0.00 C ATOM 1269 CD ARG A 83 5.110 14.832 -4.597 1.00 0.00 C ATOM 1270 NE ARG A 83 4.662 15.263 -3.267 1.00 0.00 N ATOM 1271 CZ ARG A 83 4.918 14.650 -2.106 1.00 0.00 C ATOM 1272 NH1 ARG A 83 5.767 13.629 -2.021 1.00 0.00 N ATOM 1273 NH2 ARG A 83 4.301 15.080 -1.017 1.00 0.00 N ATOM 0 H ARG A 83 9.292 16.657 -5.390 1.00 0.00 H new ATOM 0 HA ARG A 83 8.791 14.699 -7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.267 14.829 -7.053 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.180 13.799 -5.969 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.093 15.594 -4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.144 16.592 -5.299 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.317 15.013 -5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.294 13.758 -4.587 1.00 0.00 H new ATOM 0 HE ARG A 83 4.100 16.113 -3.224 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.245 13.292 -2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.940 13.183 -1.120 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.648 15.861 -1.076 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.478 14.630 -0.119 1.00 0.00 H new ATOM 1287 N ALA A 84 7.757 17.829 -7.127 1.00 0.00 N ATOM 1288 CA ALA A 84 7.176 18.977 -7.848 1.00 0.00 C ATOM 1289 C ALA A 84 5.883 18.591 -8.598 1.00 0.00 C ATOM 1290 O ALA A 84 5.405 17.469 -8.435 1.00 0.00 O ATOM 1291 CB ALA A 84 8.237 19.672 -8.718 1.00 0.00 C ATOM 0 H ALA A 84 7.923 18.024 -6.140 1.00 0.00 H new ATOM 0 HA ALA A 84 6.857 19.723 -7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.784 20.515 -9.240 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.049 20.030 -8.085 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.631 18.964 -9.447 1.00 0.00 H new ATOM 1297 N LYS A 85 5.290 19.530 -9.357 1.00 0.00 N ATOM 1298 CA LYS A 85 4.041 19.417 -10.134 1.00 0.00 C ATOM 1299 C LYS A 85 3.028 18.423 -9.552 1.00 0.00 C ATOM 1300 O LYS A 85 2.948 17.277 -9.997 1.00 0.00 O ATOM 1301 CB LYS A 85 4.358 19.084 -11.606 1.00 0.00 C ATOM 1302 CG LYS A 85 4.634 20.308 -12.488 1.00 0.00 C ATOM 1303 CD LYS A 85 3.345 21.075 -12.834 1.00 0.00 C ATOM 1304 CE LYS A 85 3.619 22.014 -14.012 1.00 0.00 C ATOM 1305 NZ LYS A 85 2.385 22.559 -14.611 1.00 0.00 N ATOM 0 H LYS A 85 5.702 20.458 -9.451 1.00 0.00 H new ATOM 0 HA LYS A 85 3.556 20.391 -10.074 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.226 18.425 -11.638 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.521 18.528 -12.028 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.326 20.976 -11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.123 19.988 -13.408 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.549 20.376 -13.088 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.004 21.646 -11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.248 22.838 -13.675 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.181 21.476 -14.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.631 23.187 -15.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.794 21.778 -14.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.859 23.097 -13.893 1.00 0.00 H new ATOM 1319 N SER A 86 2.238 18.873 -8.581 1.00 0.00 N ATOM 1320 CA SER A 86 1.093 18.150 -8.033 1.00 0.00 C ATOM 1321 C SER A 86 0.000 19.142 -7.638 1.00 0.00 C ATOM 1322 O SER A 86 0.117 20.329 -7.953 1.00 0.00 O ATOM 1323 CB SER A 86 1.557 17.272 -6.865 1.00 0.00 C ATOM 1324 OG SER A 86 2.139 16.080 -7.353 1.00 0.00 O ATOM 0 H SER A 86 2.382 19.781 -8.139 1.00 0.00 H new ATOM 0 HA SER A 86 0.662 17.486 -8.782 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.279 17.816 -6.256 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.711 17.035 -6.220 1.00 0.00 H new ATOM 0 HG SER A 86 2.405 16.205 -8.288 1.00 0.00 H new ATOM 1330 N GLY A 87 -1.096 18.686 -7.022 1.00 0.00 N ATOM 1331 CA GLY A 87 -2.102 19.597 -6.491 1.00 0.00 C ATOM 1332 C GLY A 87 -1.495 20.421 -5.350 1.00 0.00 C ATOM 1333 O GLY A 87 -0.566 19.937 -4.692 1.00 0.00 O ATOM 0 H GLY A 87 -1.304 17.697 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.462 20.258 -7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.963 19.034 -6.129 1.00 0.00 H new ATOM 1337 N PRO A 88 -2.025 21.623 -5.065 1.00 0.00 N ATOM 1338 CA PRO A 88 -1.520 22.455 -3.984 1.00 0.00 C ATOM 1339 C PRO A 88 -1.758 21.773 -2.646 1.00 0.00 C ATOM 1340 O PRO A 88 -2.663 20.938 -2.510 1.00 0.00 O ATOM 1341 CB PRO A 88 -2.283 23.774 -4.076 1.00 0.00 C ATOM 1342 CG PRO A 88 -3.584 23.399 -4.781 1.00 0.00 C ATOM 1343 CD PRO A 88 -3.143 22.281 -5.723 1.00 0.00 C ATOM 0 HA PRO A 88 -0.446 22.622 -4.066 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -2.471 24.196 -3.089 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.724 24.520 -4.640 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.343 23.059 -4.077 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -4.008 24.243 -5.325 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.957 21.579 -5.905 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.845 22.681 -6.692 1.00 0.00 H new ATOM 1351 N SER A 89 -0.944 22.105 -1.652 1.00 0.00 N ATOM 1352 CA SER A 89 -1.083 21.620 -0.293 1.00 0.00 C ATOM 1353 C SER A 89 -0.342 22.556 0.655 1.00 0.00 C ATOM 1354 O SER A 89 0.787 22.974 0.377 1.00 0.00 O ATOM 1355 CB SER A 89 -0.509 20.203 -0.197 1.00 0.00 C ATOM 1356 OG SER A 89 -1.337 19.307 -0.921 1.00 0.00 O ATOM 0 H SER A 89 -0.151 22.734 -1.776 1.00 0.00 H new ATOM 0 HA SER A 89 -2.136 21.594 -0.014 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.505 20.182 -0.597 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.446 19.894 0.847 1.00 0.00 H new ATOM 0 HG SER A 89 -2.125 19.786 -1.253 1.00 0.00 H new ATOM 1362 N SER A 90 -0.966 22.822 1.796 1.00 0.00 N ATOM 1363 CA SER A 90 -0.354 23.409 2.976 1.00 0.00 C ATOM 1364 C SER A 90 0.759 22.473 3.482 1.00 0.00 C ATOM 1365 O SER A 90 0.907 21.343 2.991 1.00 0.00 O ATOM 1366 CB SER A 90 -1.457 23.605 4.030 1.00 0.00 C ATOM 1367 OG SER A 90 -2.668 24.065 3.445 1.00 0.00 O ATOM 0 H SER A 90 -1.958 22.624 1.927 1.00 0.00 H new ATOM 0 HA SER A 90 0.100 24.375 2.756 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.638 22.663 4.547 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.120 24.321 4.780 1.00 0.00 H new ATOM 0 HG SER A 90 -3.347 24.177 4.143 1.00 0.00 H new ATOM 1373 N GLY A 91 1.551 22.909 4.455 1.00 0.00 N ATOM 1374 CA GLY A 91 2.609 22.109 5.046 1.00 0.00 C ATOM 1375 C GLY A 91 3.493 23.009 5.867 1.00 0.00 C ATOM 1376 O GLY A 91 4.724 22.922 5.700 1.00 0.00 O ATOM 0 H GLY A 91 1.472 23.842 4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.184 21.324 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.191 21.617 4.267 1.00 0.00 H new TER 1380 GLY A 91