USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 696 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 72 CYS SG : rot -2:sc= -3.23 USER MOD Set 1.2: A 75 CYS SG : rot 180:sc= -1.22 USER MOD Set 1.3: A 88 HIS : no HD1:sc= -0.642 K(o=-15,f=-17!) USER MOD Set 1.4: A 89 GLN : amide:sc= -2.32 K(o=-15,f=-14!) USER MOD Set 1.5: A 93 HIS : no HD1:sc= -7.59! C(o=-15!,f=-13!) USER MOD Set 2.1: A 71 THR OG1 : rot 82:sc= 1.11 USER MOD Set 2.2: A 78 THR OG1 : rot -156:sc= 1.09 USER MOD Set 3.1: A 45 CYS SG : rot 180:sc= -1.58 USER MOD Set 3.2: A 48 CYS SG : rot 180:sc= -1.72 USER MOD Set 3.3: A 61 HIS : no HD1:sc= -1.15 K(o=-5.2,f=-9.8!) USER MOD Set 3.4: A 65 CYS SG : rot 50:sc= -0.743 USER MOD Set 4.1: A 19 CYS SG : rot 81:sc= -1.17 USER MOD Set 4.2: A 22 CYS SG : rot -40:sc= 0.263 USER MOD Set 4.3: A 35 HIS : no HD1:sc= -1.13 X(o=-2.7,f=-3.1) USER MOD Set 4.4: A 39 CYS SG : rot -27:sc= -0.662 USER MOD Single : A 2 SER OG : rot 180:sc=-0.00403 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0236 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 20:sc= 0.158 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.88 K(o=-0.88,f=-1.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -14:sc= 0.326 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.312 K(o=-0.31,f=-1.7) USER MOD Single : A 34 SER OG : rot 180:sc= -0.549 USER MOD Single : A 41 ASN : amide:sc= -0.886 X(o=-0.89,f=-0.5!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -59:sc= 0.188 USER MOD Single : A 54 SER OG : rot 86:sc= 0.132 USER MOD Single : A 58 LYS NZ :NH3+ -178:sc= -2.23 (180deg=-2.31) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0504) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 167:sc= -2.15! (180deg=-2.59!) USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= -0.0308 (180deg=-0.227) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.694 K(o=-0.69,f=-2.4!) USER MOD Single : A 95 GLN : amide:sc= -0.0358 X(o=-0.036,f=-0.25) USER MOD Single : A 96 ASN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -71.351 -8.527 -1.991 1.00 0.00 N ATOM 9 CA SER A 2 -70.154 -7.751 -1.689 1.00 0.00 C ATOM 10 C SER A 2 -69.305 -7.554 -2.941 1.00 0.00 C ATOM 11 O SER A 2 -69.375 -8.344 -3.883 1.00 0.00 O ATOM 12 CB SER A 2 -69.329 -8.447 -0.605 1.00 0.00 C ATOM 13 OG SER A 2 -68.144 -7.724 -0.323 1.00 0.00 O ATOM 0 HA SER A 2 -70.468 -6.773 -1.325 1.00 0.00 H new ATOM 0 HB2 SER A 2 -69.924 -8.544 0.303 1.00 0.00 H new ATOM 0 HB3 SER A 2 -69.075 -9.456 -0.929 1.00 0.00 H new ATOM 0 HG SER A 2 -67.635 -8.189 0.374 1.00 0.00 H new ATOM 19 N SER A 3 -68.503 -6.494 -2.944 1.00 0.00 N ATOM 20 CA SER A 3 -67.642 -6.190 -4.082 1.00 0.00 C ATOM 21 C SER A 3 -66.225 -5.867 -3.619 1.00 0.00 C ATOM 22 O SER A 3 -66.025 -5.277 -2.558 1.00 0.00 O ATOM 23 CB SER A 3 -68.211 -5.014 -4.878 1.00 0.00 C ATOM 24 OG SER A 3 -69.410 -5.379 -5.539 1.00 0.00 O ATOM 0 H SER A 3 -68.431 -5.831 -2.172 1.00 0.00 H new ATOM 0 HA SER A 3 -67.604 -7.070 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 3 -68.402 -4.176 -4.208 1.00 0.00 H new ATOM 0 HB3 SER A 3 -67.477 -4.677 -5.610 1.00 0.00 H new ATOM 0 HG SER A 3 -69.755 -4.610 -6.039 1.00 0.00 H new ATOM 30 N GLY A 4 -65.242 -6.259 -4.424 1.00 0.00 N ATOM 31 CA GLY A 4 -63.855 -6.004 -4.082 1.00 0.00 C ATOM 32 C GLY A 4 -62.940 -6.058 -5.289 1.00 0.00 C ATOM 33 O GLY A 4 -63.386 -6.337 -6.402 1.00 0.00 O ATOM 0 H GLY A 4 -65.382 -6.749 -5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -63.774 -5.024 -3.613 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -63.525 -6.738 -3.347 1.00 0.00 H new ATOM 37 N SER A 5 -61.657 -5.789 -5.070 1.00 0.00 N ATOM 38 CA SER A 5 -60.678 -5.803 -6.150 1.00 0.00 C ATOM 39 C SER A 5 -59.282 -6.104 -5.614 1.00 0.00 C ATOM 40 O SER A 5 -58.999 -5.894 -4.434 1.00 0.00 O ATOM 41 CB SER A 5 -60.677 -4.460 -6.883 1.00 0.00 C ATOM 42 OG SER A 5 -61.926 -4.219 -7.507 1.00 0.00 O ATOM 0 H SER A 5 -61.271 -5.559 -4.154 1.00 0.00 H new ATOM 0 HA SER A 5 -60.957 -6.591 -6.850 1.00 0.00 H new ATOM 0 HB2 SER A 5 -60.458 -3.658 -6.178 1.00 0.00 H new ATOM 0 HB3 SER A 5 -59.885 -4.451 -7.632 1.00 0.00 H new ATOM 0 HG SER A 5 -61.900 -3.354 -7.967 1.00 0.00 H new ATOM 48 N SER A 6 -58.412 -6.596 -6.489 1.00 0.00 N ATOM 49 CA SER A 6 -57.045 -6.930 -6.104 1.00 0.00 C ATOM 50 C SER A 6 -56.042 -6.320 -7.079 1.00 0.00 C ATOM 51 O SER A 6 -56.337 -6.141 -8.259 1.00 0.00 O ATOM 52 CB SER A 6 -56.864 -8.448 -6.052 1.00 0.00 C ATOM 53 OG SER A 6 -57.825 -9.048 -5.200 1.00 0.00 O ATOM 0 H SER A 6 -58.629 -6.773 -7.470 1.00 0.00 H new ATOM 0 HA SER A 6 -56.861 -6.515 -5.113 1.00 0.00 H new ATOM 0 HB2 SER A 6 -56.954 -8.863 -7.056 1.00 0.00 H new ATOM 0 HB3 SER A 6 -55.861 -8.686 -5.698 1.00 0.00 H new ATOM 0 HG SER A 6 -57.689 -10.018 -5.186 1.00 0.00 H new ATOM 59 N GLY A 7 -54.854 -6.003 -6.573 1.00 0.00 N ATOM 60 CA GLY A 7 -53.824 -5.416 -7.411 1.00 0.00 C ATOM 61 C GLY A 7 -52.716 -6.397 -7.740 1.00 0.00 C ATOM 62 O GLY A 7 -52.823 -7.587 -7.446 1.00 0.00 O ATOM 0 H GLY A 7 -54.586 -6.142 -5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -54.274 -5.057 -8.337 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -53.399 -4.549 -6.906 1.00 0.00 H new ATOM 66 N ALA A 8 -51.649 -5.897 -8.354 1.00 0.00 N ATOM 67 CA ALA A 8 -50.516 -6.737 -8.723 1.00 0.00 C ATOM 68 C ALA A 8 -49.196 -6.078 -8.340 1.00 0.00 C ATOM 69 O ALA A 8 -49.173 -4.946 -7.858 1.00 0.00 O ATOM 70 CB ALA A 8 -50.545 -7.036 -10.215 1.00 0.00 C ATOM 0 H ALA A 8 -51.545 -4.914 -8.607 1.00 0.00 H new ATOM 0 HA ALA A 8 -50.597 -7.675 -8.173 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -49.693 -7.664 -10.477 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -51.470 -7.556 -10.464 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -50.493 -6.102 -10.774 1.00 0.00 H new ATOM 76 N SER A 9 -48.097 -6.795 -8.556 1.00 0.00 N ATOM 77 CA SER A 9 -46.772 -6.281 -8.228 1.00 0.00 C ATOM 78 C SER A 9 -45.756 -6.679 -9.294 1.00 0.00 C ATOM 79 O SER A 9 -45.647 -7.843 -9.680 1.00 0.00 O ATOM 80 CB SER A 9 -46.324 -6.801 -6.861 1.00 0.00 C ATOM 81 OG SER A 9 -46.066 -8.194 -6.905 1.00 0.00 O ATOM 0 H SER A 9 -48.098 -7.733 -8.957 1.00 0.00 H new ATOM 0 HA SER A 9 -46.830 -5.193 -8.194 1.00 0.00 H new ATOM 0 HB2 SER A 9 -45.426 -6.271 -6.543 1.00 0.00 H new ATOM 0 HB3 SER A 9 -47.095 -6.594 -6.119 1.00 0.00 H new ATOM 0 HG SER A 9 -45.923 -8.471 -7.834 1.00 0.00 H new ATOM 87 N PRO A 10 -44.995 -5.689 -9.784 1.00 0.00 N ATOM 88 CA PRO A 10 -43.973 -5.911 -10.812 1.00 0.00 C ATOM 89 C PRO A 10 -42.780 -6.700 -10.283 1.00 0.00 C ATOM 90 O PRO A 10 -42.678 -6.962 -9.085 1.00 0.00 O ATOM 91 CB PRO A 10 -43.547 -4.493 -11.199 1.00 0.00 C ATOM 92 CG PRO A 10 -43.851 -3.664 -9.999 1.00 0.00 C ATOM 93 CD PRO A 10 -45.071 -4.278 -9.370 1.00 0.00 C ATOM 0 HA PRO A 10 -44.355 -6.499 -11.646 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -42.487 -4.453 -11.449 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -44.095 -4.140 -12.073 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -43.012 -3.662 -9.303 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -44.036 -2.627 -10.278 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -45.058 -4.176 -8.285 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -45.987 -3.804 -9.723 1.00 0.00 H new ATOM 101 N VAL A 11 -41.880 -7.077 -11.185 1.00 0.00 N ATOM 102 CA VAL A 11 -40.693 -7.836 -10.809 1.00 0.00 C ATOM 103 C VAL A 11 -39.482 -7.402 -11.628 1.00 0.00 C ATOM 104 O VAL A 11 -39.589 -7.148 -12.827 1.00 0.00 O ATOM 105 CB VAL A 11 -40.910 -9.349 -10.997 1.00 0.00 C ATOM 106 CG1 VAL A 11 -42.044 -9.840 -10.110 1.00 0.00 C ATOM 107 CG2 VAL A 11 -41.189 -9.669 -12.458 1.00 0.00 C ATOM 0 H VAL A 11 -41.950 -6.869 -12.181 1.00 0.00 H new ATOM 0 HA VAL A 11 -40.508 -7.632 -9.754 1.00 0.00 H new ATOM 0 HB VAL A 11 -39.998 -9.869 -10.702 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -42.183 -10.911 -10.256 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -41.800 -9.645 -9.066 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -42.963 -9.316 -10.371 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -41.340 -10.742 -12.573 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -42.085 -9.140 -12.782 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -40.342 -9.354 -13.068 1.00 0.00 H new ATOM 117 N GLU A 12 -38.329 -7.319 -10.970 1.00 0.00 N ATOM 118 CA GLU A 12 -37.097 -6.916 -11.638 1.00 0.00 C ATOM 119 C GLU A 12 -36.203 -8.123 -11.906 1.00 0.00 C ATOM 120 O GLU A 12 -36.501 -9.236 -11.477 1.00 0.00 O ATOM 121 CB GLU A 12 -36.345 -5.888 -10.790 1.00 0.00 C ATOM 122 CG GLU A 12 -37.024 -4.530 -10.735 1.00 0.00 C ATOM 123 CD GLU A 12 -37.439 -4.029 -12.105 1.00 0.00 C ATOM 124 OE1 GLU A 12 -36.591 -3.430 -12.799 1.00 0.00 O ATOM 125 OE2 GLU A 12 -38.611 -4.235 -12.482 1.00 0.00 O ATOM 0 H GLU A 12 -38.223 -7.525 -9.977 1.00 0.00 H new ATOM 0 HA GLU A 12 -37.363 -6.464 -12.594 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -36.240 -6.273 -9.776 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -35.339 -5.766 -11.191 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -37.903 -4.593 -10.094 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -36.347 -3.808 -10.278 1.00 0.00 H new ATOM 199 N TYR A 17 -23.361 -5.475 -9.882 1.00 0.00 N ATOM 200 CA TYR A 17 -22.158 -4.907 -10.478 1.00 0.00 C ATOM 201 C TYR A 17 -20.953 -5.099 -9.563 1.00 0.00 C ATOM 202 O TYR A 17 -20.753 -4.339 -8.615 1.00 0.00 O ATOM 203 CB TYR A 17 -22.361 -3.418 -10.767 1.00 0.00 C ATOM 204 CG TYR A 17 -23.625 -3.118 -11.541 1.00 0.00 C ATOM 205 CD1 TYR A 17 -24.051 -3.955 -12.565 1.00 0.00 C ATOM 206 CD2 TYR A 17 -24.394 -1.999 -11.247 1.00 0.00 C ATOM 207 CE1 TYR A 17 -25.204 -3.684 -13.275 1.00 0.00 C ATOM 208 CE2 TYR A 17 -25.550 -1.721 -11.951 1.00 0.00 C ATOM 209 CZ TYR A 17 -25.950 -2.567 -12.964 1.00 0.00 C ATOM 210 OH TYR A 17 -27.101 -2.294 -13.669 1.00 0.00 O ATOM 0 HA TYR A 17 -21.966 -5.430 -11.415 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -22.385 -2.873 -9.823 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -21.504 -3.045 -11.328 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -23.471 -4.832 -12.810 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -24.083 -1.335 -10.454 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -25.520 -4.344 -14.070 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -26.136 -0.847 -11.710 1.00 0.00 H new ATOM 0 HH TYR A 17 -27.508 -1.472 -13.324 1.00 0.00 H new ATOM 220 N GLN A 18 -20.153 -6.120 -9.854 1.00 0.00 N ATOM 221 CA GLN A 18 -18.968 -6.413 -9.057 1.00 0.00 C ATOM 222 C GLN A 18 -17.740 -5.714 -9.632 1.00 0.00 C ATOM 223 O GLN A 18 -17.673 -5.439 -10.831 1.00 0.00 O ATOM 224 CB GLN A 18 -18.729 -7.922 -8.996 1.00 0.00 C ATOM 225 CG GLN A 18 -19.381 -8.593 -7.798 1.00 0.00 C ATOM 226 CD GLN A 18 -19.791 -10.025 -8.083 1.00 0.00 C ATOM 227 OE1 GLN A 18 -20.980 -10.340 -8.151 1.00 0.00 O ATOM 228 NE2 GLN A 18 -18.807 -10.900 -8.252 1.00 0.00 N ATOM 0 H GLN A 18 -20.304 -6.758 -10.636 1.00 0.00 H new ATOM 0 HA GLN A 18 -19.138 -6.039 -8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.109 -8.379 -9.910 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -17.656 -8.111 -8.968 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -18.688 -8.578 -6.956 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.259 -8.020 -7.499 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -17.836 -10.594 -8.187 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -19.022 -11.878 -8.447 1.00 0.00 H new ATOM 237 N CYS A 19 -16.769 -5.430 -8.770 1.00 0.00 N ATOM 238 CA CYS A 19 -15.543 -4.763 -9.191 1.00 0.00 C ATOM 239 C CYS A 19 -14.602 -5.742 -9.887 1.00 0.00 C ATOM 240 O CYS A 19 -14.379 -6.853 -9.405 1.00 0.00 O ATOM 241 CB CYS A 19 -14.841 -4.132 -7.987 1.00 0.00 C ATOM 242 SG CYS A 19 -13.269 -3.306 -8.391 1.00 0.00 S ATOM 0 H CYS A 19 -16.808 -5.652 -7.775 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.811 -3.979 -9.899 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.513 -3.407 -7.528 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -14.652 -4.906 -7.244 1.00 0.00 H new ATOM 0 HG CYS A 19 -13.511 -2.122 -8.870 1.00 0.00 H new ATOM 247 N ARG A 20 -14.053 -5.322 -11.022 1.00 0.00 N ATOM 248 CA ARG A 20 -13.137 -6.162 -11.784 1.00 0.00 C ATOM 249 C ARG A 20 -11.727 -6.095 -11.204 1.00 0.00 C ATOM 250 O ARG A 20 -10.751 -6.432 -11.875 1.00 0.00 O ATOM 251 CB ARG A 20 -13.117 -5.730 -13.251 1.00 0.00 C ATOM 252 CG ARG A 20 -14.477 -5.803 -13.927 1.00 0.00 C ATOM 253 CD ARG A 20 -15.039 -7.216 -13.894 1.00 0.00 C ATOM 254 NE ARG A 20 -15.532 -7.579 -12.568 1.00 0.00 N ATOM 255 CZ ARG A 20 -15.631 -8.831 -12.138 1.00 0.00 C ATOM 256 NH1 ARG A 20 -15.274 -9.836 -12.926 1.00 0.00 N ATOM 257 NH2 ARG A 20 -16.088 -9.081 -10.918 1.00 0.00 N ATOM 0 H ARG A 20 -14.227 -4.405 -11.434 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.489 -7.192 -11.720 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.744 -4.708 -13.315 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.415 -6.360 -13.797 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.169 -5.123 -13.430 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.389 -5.469 -14.961 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.850 -7.300 -14.618 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.265 -7.921 -14.198 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.816 -6.829 -11.938 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.922 -9.648 -13.865 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.351 -10.797 -12.593 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.364 -8.311 -10.309 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.164 -10.044 -10.589 1.00 0.00 H new ATOM 271 N LEU A 21 -11.628 -5.658 -9.953 1.00 0.00 N ATOM 272 CA LEU A 21 -10.338 -5.546 -9.282 1.00 0.00 C ATOM 273 C LEU A 21 -10.304 -6.404 -8.021 1.00 0.00 C ATOM 274 O LEU A 21 -9.343 -7.136 -7.781 1.00 0.00 O ATOM 275 CB LEU A 21 -10.050 -4.086 -8.927 1.00 0.00 C ATOM 276 CG LEU A 21 -10.307 -3.063 -10.034 1.00 0.00 C ATOM 277 CD1 LEU A 21 -10.140 -1.648 -9.503 1.00 0.00 C ATOM 278 CD2 LEU A 21 -9.374 -3.306 -11.212 1.00 0.00 C ATOM 0 H LEU A 21 -12.426 -5.376 -9.383 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.569 -5.906 -9.965 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.657 -3.817 -8.063 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.007 -4.006 -8.621 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.334 -3.181 -10.379 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.327 -0.934 -10.305 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.849 -1.477 -8.693 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.124 -1.517 -9.130 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.571 -2.569 -11.990 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.339 -3.217 -10.881 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.543 -4.307 -11.609 1.00 0.00 H new ATOM 290 N CYS A 22 -11.359 -6.310 -7.219 1.00 0.00 N ATOM 291 CA CYS A 22 -11.452 -7.078 -5.983 1.00 0.00 C ATOM 292 C CYS A 22 -12.704 -7.951 -5.979 1.00 0.00 C ATOM 293 O CYS A 22 -12.836 -8.859 -5.160 1.00 0.00 O ATOM 294 CB CYS A 22 -11.467 -6.139 -4.775 1.00 0.00 C ATOM 295 SG CYS A 22 -12.766 -4.863 -4.841 1.00 0.00 S ATOM 0 H CYS A 22 -12.162 -5.709 -7.403 1.00 0.00 H new ATOM 0 HA CYS A 22 -10.578 -7.726 -5.920 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -11.600 -6.731 -3.870 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -10.496 -5.650 -4.696 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.861 -4.403 -6.053 1.00 0.00 H new ATOM 300 N ASN A 23 -13.619 -7.668 -6.899 1.00 0.00 N ATOM 301 CA ASN A 23 -14.860 -8.427 -7.001 1.00 0.00 C ATOM 302 C ASN A 23 -15.792 -8.106 -5.836 1.00 0.00 C ATOM 303 O ASN A 23 -16.363 -9.005 -5.219 1.00 0.00 O ATOM 304 CB ASN A 23 -14.564 -9.928 -7.033 1.00 0.00 C ATOM 305 CG ASN A 23 -13.441 -10.275 -7.992 1.00 0.00 C ATOM 306 OD1 ASN A 23 -12.268 -10.273 -7.617 1.00 0.00 O ATOM 307 ND2 ASN A 23 -13.796 -10.574 -9.236 1.00 0.00 N ATOM 0 H ASN A 23 -13.525 -6.919 -7.585 1.00 0.00 H new ATOM 0 HA ASN A 23 -15.355 -8.141 -7.929 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -14.299 -10.265 -6.031 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -15.466 -10.467 -7.323 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.084 -10.815 -9.926 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.781 -10.563 -9.502 1.00 0.00 H new ATOM 314 N ALA A 24 -15.940 -6.819 -5.541 1.00 0.00 N ATOM 315 CA ALA A 24 -16.804 -6.379 -4.453 1.00 0.00 C ATOM 316 C ALA A 24 -18.103 -5.786 -4.988 1.00 0.00 C ATOM 317 O ALA A 24 -18.096 -4.756 -5.662 1.00 0.00 O ATOM 318 CB ALA A 24 -16.078 -5.365 -3.581 1.00 0.00 C ATOM 0 H ALA A 24 -15.472 -6.063 -6.041 1.00 0.00 H new ATOM 0 HA ALA A 24 -17.056 -7.249 -3.847 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.735 -5.044 -2.772 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.182 -5.822 -3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.797 -4.502 -4.184 1.00 0.00 H new ATOM 324 N LYS A 25 -19.217 -6.444 -4.684 1.00 0.00 N ATOM 325 CA LYS A 25 -20.525 -5.982 -5.134 1.00 0.00 C ATOM 326 C LYS A 25 -20.697 -4.490 -4.865 1.00 0.00 C ATOM 327 O LYS A 25 -20.459 -4.018 -3.753 1.00 0.00 O ATOM 328 CB LYS A 25 -21.634 -6.769 -4.432 1.00 0.00 C ATOM 329 CG LYS A 25 -21.698 -8.229 -4.844 1.00 0.00 C ATOM 330 CD LYS A 25 -22.501 -9.054 -3.851 1.00 0.00 C ATOM 331 CE LYS A 25 -23.986 -8.741 -3.940 1.00 0.00 C ATOM 332 NZ LYS A 25 -24.818 -9.829 -3.356 1.00 0.00 N ATOM 0 H LYS A 25 -19.240 -7.299 -4.128 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.593 -6.149 -6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.483 -6.711 -3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -22.593 -6.298 -4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.148 -8.309 -5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.688 -8.631 -4.920 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -22.339 -10.115 -4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.146 -8.855 -2.840 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -24.192 -7.806 -3.418 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -24.264 -8.592 -4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -25.824 -9.578 -3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -24.641 -10.716 -3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -24.571 -9.955 -2.354 1.00 0.00 H new ATOM 346 N LEU A 26 -21.113 -3.754 -5.890 1.00 0.00 N ATOM 347 CA LEU A 26 -21.319 -2.315 -5.764 1.00 0.00 C ATOM 348 C LEU A 26 -22.775 -2.000 -5.435 1.00 0.00 C ATOM 349 O LEU A 26 -23.588 -2.904 -5.246 1.00 0.00 O ATOM 350 CB LEU A 26 -20.912 -1.607 -7.058 1.00 0.00 C ATOM 351 CG LEU A 26 -19.436 -1.226 -7.178 1.00 0.00 C ATOM 352 CD1 LEU A 26 -18.947 -0.573 -5.895 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.595 -2.450 -7.511 1.00 0.00 C ATOM 0 H LEU A 26 -21.314 -4.129 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.695 -1.953 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -21.170 -2.252 -7.898 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -21.510 -0.701 -7.157 1.00 0.00 H new ATOM 0 HG LEU A 26 -19.331 -0.506 -7.990 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.895 -0.309 -5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.530 0.327 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.066 -1.269 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.547 -2.160 -7.593 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -18.706 -3.193 -6.721 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.929 -2.874 -8.458 1.00 0.00 H new ATOM 365 N SER A 27 -23.096 -0.712 -5.369 1.00 0.00 N ATOM 366 CA SER A 27 -24.453 -0.278 -5.061 1.00 0.00 C ATOM 367 C SER A 27 -25.171 0.196 -6.321 1.00 0.00 C ATOM 368 O SER A 27 -26.389 0.378 -6.324 1.00 0.00 O ATOM 369 CB SER A 27 -24.428 0.845 -4.022 1.00 0.00 C ATOM 370 OG SER A 27 -25.711 1.428 -3.871 1.00 0.00 O ATOM 0 H SER A 27 -22.435 0.049 -5.525 1.00 0.00 H new ATOM 0 HA SER A 27 -24.997 -1.130 -4.653 1.00 0.00 H new ATOM 0 HB2 SER A 27 -24.089 0.451 -3.064 1.00 0.00 H new ATOM 0 HB3 SER A 27 -23.711 1.609 -4.324 1.00 0.00 H new ATOM 0 HG SER A 27 -26.289 1.144 -4.610 1.00 0.00 H new ATOM 376 N SER A 28 -24.407 0.393 -7.391 1.00 0.00 N ATOM 377 CA SER A 28 -24.969 0.849 -8.658 1.00 0.00 C ATOM 378 C SER A 28 -23.900 0.880 -9.746 1.00 0.00 C ATOM 379 O SER A 28 -22.710 0.723 -9.468 1.00 0.00 O ATOM 380 CB SER A 28 -25.588 2.238 -8.495 1.00 0.00 C ATOM 381 OG SER A 28 -26.722 2.392 -9.330 1.00 0.00 O ATOM 0 H SER A 28 -23.398 0.244 -7.406 1.00 0.00 H new ATOM 0 HA SER A 28 -25.746 0.146 -8.957 1.00 0.00 H new ATOM 0 HB2 SER A 28 -25.875 2.392 -7.455 1.00 0.00 H new ATOM 0 HB3 SER A 28 -24.848 3.000 -8.738 1.00 0.00 H new ATOM 0 HG SER A 28 -27.100 3.287 -9.206 1.00 0.00 H new ATOM 387 N LEU A 29 -24.332 1.084 -10.985 1.00 0.00 N ATOM 388 CA LEU A 29 -23.413 1.137 -12.117 1.00 0.00 C ATOM 389 C LEU A 29 -22.384 2.247 -11.932 1.00 0.00 C ATOM 390 O LEU A 29 -21.283 2.186 -12.482 1.00 0.00 O ATOM 391 CB LEU A 29 -24.188 1.356 -13.418 1.00 0.00 C ATOM 392 CG LEU A 29 -23.601 0.697 -14.667 1.00 0.00 C ATOM 393 CD1 LEU A 29 -23.776 -0.812 -14.607 1.00 0.00 C ATOM 394 CD2 LEU A 29 -24.251 1.261 -15.922 1.00 0.00 C ATOM 0 H LEU A 29 -25.313 1.215 -11.232 1.00 0.00 H new ATOM 0 HA LEU A 29 -22.886 0.184 -12.171 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -25.204 0.986 -13.279 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -24.262 2.429 -13.598 1.00 0.00 H new ATOM 0 HG LEU A 29 -22.534 0.917 -14.703 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -23.352 -1.263 -15.504 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -23.264 -1.203 -13.728 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -24.837 -1.053 -14.546 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -23.821 0.781 -16.801 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -25.324 1.071 -15.893 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -24.074 2.335 -15.972 1.00 0.00 H new ATOM 406 N LEU A 30 -22.747 3.259 -11.152 1.00 0.00 N ATOM 407 CA LEU A 30 -21.853 4.383 -10.891 1.00 0.00 C ATOM 408 C LEU A 30 -20.723 3.973 -9.953 1.00 0.00 C ATOM 409 O LEU A 30 -19.548 4.049 -10.312 1.00 0.00 O ATOM 410 CB LEU A 30 -22.634 5.551 -10.287 1.00 0.00 C ATOM 411 CG LEU A 30 -22.095 6.949 -10.594 1.00 0.00 C ATOM 412 CD1 LEU A 30 -22.496 7.379 -11.997 1.00 0.00 C ATOM 413 CD2 LEU A 30 -22.595 7.951 -9.564 1.00 0.00 C ATOM 0 H LEU A 30 -23.654 3.325 -10.689 1.00 0.00 H new ATOM 0 HA LEU A 30 -21.417 4.697 -11.839 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -23.664 5.495 -10.640 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -22.661 5.423 -9.205 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.007 6.918 -10.543 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -22.104 8.376 -12.198 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -22.089 6.676 -12.723 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -23.583 7.394 -12.076 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -22.202 8.940 -9.798 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.684 7.980 -9.583 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -22.258 7.652 -8.572 1.00 0.00 H new ATOM 425 N GLU A 31 -21.086 3.537 -8.751 1.00 0.00 N ATOM 426 CA GLU A 31 -20.101 3.114 -7.762 1.00 0.00 C ATOM 427 C GLU A 31 -19.057 2.197 -8.392 1.00 0.00 C ATOM 428 O GLU A 31 -17.934 2.089 -7.900 1.00 0.00 O ATOM 429 CB GLU A 31 -20.789 2.397 -6.599 1.00 0.00 C ATOM 430 CG GLU A 31 -20.123 2.640 -5.255 1.00 0.00 C ATOM 431 CD GLU A 31 -19.684 4.080 -5.073 1.00 0.00 C ATOM 432 OE1 GLU A 31 -20.556 4.973 -5.087 1.00 0.00 O ATOM 433 OE2 GLU A 31 -18.467 4.313 -4.917 1.00 0.00 O ATOM 0 H GLU A 31 -22.054 3.467 -8.438 1.00 0.00 H new ATOM 0 HA GLU A 31 -19.598 4.004 -7.384 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.827 2.724 -6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -20.802 1.326 -6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -20.815 2.372 -4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -19.257 1.985 -5.159 1.00 0.00 H new ATOM 440 N GLN A 32 -19.436 1.540 -9.483 1.00 0.00 N ATOM 441 CA GLN A 32 -18.533 0.631 -10.180 1.00 0.00 C ATOM 442 C GLN A 32 -17.471 1.406 -10.953 1.00 0.00 C ATOM 443 O GLN A 32 -16.286 1.081 -10.895 1.00 0.00 O ATOM 444 CB GLN A 32 -19.319 -0.270 -11.134 1.00 0.00 C ATOM 445 CG GLN A 32 -18.563 -1.523 -11.547 1.00 0.00 C ATOM 446 CD GLN A 32 -19.280 -2.307 -12.629 1.00 0.00 C ATOM 447 OE1 GLN A 32 -20.275 -1.846 -13.190 1.00 0.00 O ATOM 448 NE2 GLN A 32 -18.778 -3.499 -12.928 1.00 0.00 N ATOM 0 H GLN A 32 -20.362 1.620 -9.904 1.00 0.00 H new ATOM 0 HA GLN A 32 -18.034 0.012 -9.435 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -20.255 -0.561 -10.658 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -19.579 0.299 -12.027 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -17.571 -1.244 -11.903 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -18.421 -2.161 -10.675 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -17.952 -3.842 -12.438 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -19.219 -4.072 -13.648 1.00 0.00 H new ATOM 457 N GLY A 33 -17.905 2.434 -11.677 1.00 0.00 N ATOM 458 CA GLY A 33 -16.979 3.239 -12.452 1.00 0.00 C ATOM 459 C GLY A 33 -16.101 4.114 -11.580 1.00 0.00 C ATOM 460 O GLY A 33 -15.025 4.540 -11.999 1.00 0.00 O ATOM 0 H GLY A 33 -18.881 2.723 -11.740 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.350 2.584 -13.055 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.540 3.867 -13.144 1.00 0.00 H new ATOM 464 N SER A 34 -16.561 4.384 -10.362 1.00 0.00 N ATOM 465 CA SER A 34 -15.813 5.219 -9.430 1.00 0.00 C ATOM 466 C SER A 34 -14.916 4.367 -8.537 1.00 0.00 C ATOM 467 O SER A 34 -13.708 4.593 -8.453 1.00 0.00 O ATOM 468 CB SER A 34 -16.771 6.045 -8.570 1.00 0.00 C ATOM 469 OG SER A 34 -17.536 5.212 -7.715 1.00 0.00 O ATOM 0 H SER A 34 -17.448 4.036 -9.998 1.00 0.00 H new ATOM 0 HA SER A 34 -15.184 5.894 -10.010 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.205 6.761 -7.974 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.437 6.621 -9.213 1.00 0.00 H new ATOM 0 HG SER A 34 -18.139 5.764 -7.175 1.00 0.00 H new ATOM 475 N HIS A 35 -15.516 3.385 -7.871 1.00 0.00 N ATOM 476 CA HIS A 35 -14.772 2.497 -6.984 1.00 0.00 C ATOM 477 C HIS A 35 -13.530 1.949 -7.680 1.00 0.00 C ATOM 478 O HIS A 35 -12.541 1.613 -7.030 1.00 0.00 O ATOM 479 CB HIS A 35 -15.662 1.344 -6.519 1.00 0.00 C ATOM 480 CG HIS A 35 -14.915 0.266 -5.796 1.00 0.00 C ATOM 481 ND1 HIS A 35 -14.851 0.187 -4.421 1.00 0.00 N ATOM 482 CD2 HIS A 35 -14.200 -0.783 -6.265 1.00 0.00 C ATOM 483 CE1 HIS A 35 -14.127 -0.863 -4.076 1.00 0.00 C ATOM 484 NE2 HIS A 35 -13.720 -1.469 -5.176 1.00 0.00 N ATOM 0 H HIS A 35 -16.514 3.184 -7.929 1.00 0.00 H new ATOM 0 HA HIS A 35 -14.454 3.074 -6.115 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -16.440 1.737 -5.865 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -16.163 0.910 -7.385 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -14.037 -1.034 -7.303 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -13.906 -1.173 -3.065 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.143 -2.310 -5.211 1.00 0.00 H new ATOM 492 N GLU A 36 -13.590 1.862 -9.005 1.00 0.00 N ATOM 493 CA GLU A 36 -12.470 1.353 -9.788 1.00 0.00 C ATOM 494 C GLU A 36 -11.320 2.355 -9.808 1.00 0.00 C ATOM 495 O GLU A 36 -10.153 1.974 -9.898 1.00 0.00 O ATOM 496 CB GLU A 36 -12.918 1.045 -11.219 1.00 0.00 C ATOM 497 CG GLU A 36 -13.426 -0.374 -11.406 1.00 0.00 C ATOM 498 CD GLU A 36 -13.182 -0.902 -12.806 1.00 0.00 C ATOM 499 OE1 GLU A 36 -12.002 -1.047 -13.187 1.00 0.00 O ATOM 500 OE2 GLU A 36 -14.171 -1.168 -13.521 1.00 0.00 O ATOM 0 H GLU A 36 -14.401 2.137 -9.558 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.120 0.434 -9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.705 1.744 -11.503 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.082 1.215 -11.897 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.937 -1.029 -10.685 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.494 -0.405 -11.191 1.00 0.00 H new ATOM 507 N ARG A 37 -11.659 3.638 -9.723 1.00 0.00 N ATOM 508 CA ARG A 37 -10.655 4.695 -9.733 1.00 0.00 C ATOM 509 C ARG A 37 -9.866 4.708 -8.426 1.00 0.00 C ATOM 510 O ARG A 37 -8.643 4.852 -8.429 1.00 0.00 O ATOM 511 CB ARG A 37 -11.319 6.056 -9.953 1.00 0.00 C ATOM 512 CG ARG A 37 -11.416 6.455 -11.416 1.00 0.00 C ATOM 513 CD ARG A 37 -12.314 7.668 -11.604 1.00 0.00 C ATOM 514 NE ARG A 37 -13.698 7.289 -11.876 1.00 0.00 N ATOM 515 CZ ARG A 37 -14.658 8.163 -12.155 1.00 0.00 C ATOM 516 NH1 ARG A 37 -14.387 9.460 -12.199 1.00 0.00 N ATOM 517 NH2 ARG A 37 -15.893 7.739 -12.392 1.00 0.00 N ATOM 0 H ARG A 37 -12.620 3.970 -9.647 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.964 4.498 -10.553 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.320 6.036 -9.523 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.756 6.817 -9.414 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.420 6.675 -11.801 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.805 5.619 -11.997 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.278 8.288 -10.708 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.936 8.274 -12.427 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.940 6.299 -11.850 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.439 9.789 -12.018 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.127 10.129 -12.414 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.105 6.742 -12.360 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.630 8.410 -12.606 1.00 0.00 H new ATOM 531 N LEU A 38 -10.574 4.557 -7.313 1.00 0.00 N ATOM 532 CA LEU A 38 -9.941 4.552 -5.998 1.00 0.00 C ATOM 533 C LEU A 38 -9.372 3.174 -5.674 1.00 0.00 C ATOM 534 O LEU A 38 -8.282 3.056 -5.114 1.00 0.00 O ATOM 535 CB LEU A 38 -10.947 4.967 -4.924 1.00 0.00 C ATOM 536 CG LEU A 38 -12.397 4.544 -5.162 1.00 0.00 C ATOM 537 CD1 LEU A 38 -13.087 4.236 -3.843 1.00 0.00 C ATOM 538 CD2 LEU A 38 -13.151 5.627 -5.920 1.00 0.00 C ATOM 0 H LEU A 38 -11.587 4.436 -7.294 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.120 5.269 -6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.621 4.553 -3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.918 6.052 -4.827 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.396 3.638 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -14.118 3.937 -4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.561 3.426 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.077 5.124 -3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.181 5.309 -6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.142 6.550 -5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.670 5.799 -6.883 1.00 0.00 H new ATOM 550 N CYS A 39 -10.118 2.133 -6.030 1.00 0.00 N ATOM 551 CA CYS A 39 -9.688 0.763 -5.779 1.00 0.00 C ATOM 552 C CYS A 39 -8.364 0.471 -6.478 1.00 0.00 C ATOM 553 O CYS A 39 -7.745 -0.569 -6.250 1.00 0.00 O ATOM 554 CB CYS A 39 -10.757 -0.224 -6.253 1.00 0.00 C ATOM 555 SG CYS A 39 -10.281 -1.974 -6.085 1.00 0.00 S ATOM 0 H CYS A 39 -11.023 2.213 -6.493 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.545 0.645 -4.705 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.672 -0.052 -5.686 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.986 -0.020 -7.299 1.00 0.00 H new ATOM 0 HG CYS A 39 -8.986 -2.078 -6.133 1.00 0.00 H new ATOM 560 N ARG A 40 -7.936 1.395 -7.332 1.00 0.00 N ATOM 561 CA ARG A 40 -6.686 1.237 -8.065 1.00 0.00 C ATOM 562 C ARG A 40 -5.533 1.911 -7.327 1.00 0.00 C ATOM 563 O ARG A 40 -4.404 1.421 -7.340 1.00 0.00 O ATOM 564 CB ARG A 40 -6.818 1.824 -9.472 1.00 0.00 C ATOM 565 CG ARG A 40 -5.832 1.239 -10.471 1.00 0.00 C ATOM 566 CD ARG A 40 -6.267 1.505 -11.903 1.00 0.00 C ATOM 567 NE ARG A 40 -5.140 1.480 -12.831 1.00 0.00 N ATOM 568 CZ ARG A 40 -5.271 1.580 -14.149 1.00 0.00 C ATOM 569 NH1 ARG A 40 -6.473 1.711 -14.692 1.00 0.00 N ATOM 570 NH2 ARG A 40 -4.197 1.550 -14.928 1.00 0.00 N ATOM 0 H ARG A 40 -8.437 2.261 -7.533 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.471 0.171 -8.142 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.832 1.655 -9.834 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.674 2.903 -9.421 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.844 1.669 -10.304 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.743 0.165 -10.310 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.001 0.757 -12.204 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.760 2.476 -11.958 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.201 1.380 -12.446 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.301 1.735 -14.097 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.570 1.788 -15.705 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.270 1.450 -14.515 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.299 1.627 -15.940 1.00 0.00 H new ATOM 584 N ASN A 41 -5.826 3.037 -6.686 1.00 0.00 N ATOM 585 CA ASN A 41 -4.813 3.779 -5.943 1.00 0.00 C ATOM 586 C ASN A 41 -5.166 3.845 -4.460 1.00 0.00 C ATOM 587 O ASN A 41 -4.609 4.651 -3.715 1.00 0.00 O ATOM 588 CB ASN A 41 -4.671 5.194 -6.509 1.00 0.00 C ATOM 589 CG ASN A 41 -5.875 6.063 -6.202 1.00 0.00 C ATOM 590 OD1 ASN A 41 -6.128 6.407 -5.048 1.00 0.00 O ATOM 591 ND2 ASN A 41 -6.624 6.422 -7.238 1.00 0.00 N ATOM 0 H ASN A 41 -6.756 3.456 -6.666 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.863 3.255 -6.049 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.776 5.659 -6.096 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.532 5.138 -7.589 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.447 7.007 -7.094 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.376 6.113 -8.178 1.00 0.00 H new ATOM 598 N ALA A 42 -6.094 2.993 -4.040 1.00 0.00 N ATOM 599 CA ALA A 42 -6.520 2.952 -2.646 1.00 0.00 C ATOM 600 C ALA A 42 -5.319 2.923 -1.707 1.00 0.00 C ATOM 601 O ALA A 42 -5.244 3.700 -0.755 1.00 0.00 O ATOM 602 CB ALA A 42 -7.413 1.745 -2.402 1.00 0.00 C ATOM 0 H ALA A 42 -6.566 2.321 -4.645 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.089 3.858 -2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.723 1.727 -1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.294 1.809 -3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.863 0.833 -2.633 1.00 0.00 H new ATOM 608 N ALA A 43 -4.382 2.021 -1.979 1.00 0.00 N ATOM 609 CA ALA A 43 -3.184 1.891 -1.159 1.00 0.00 C ATOM 610 C ALA A 43 -1.933 1.795 -2.025 1.00 0.00 C ATOM 611 O ALA A 43 -1.640 0.745 -2.596 1.00 0.00 O ATOM 612 CB ALA A 43 -3.295 0.675 -0.251 1.00 0.00 C ATOM 0 H ALA A 43 -4.430 1.369 -2.762 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.098 2.785 -0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.393 0.590 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.162 0.785 0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.410 -0.223 -0.858 1.00 0.00 H new ATOM 618 N VAL A 44 -1.198 2.899 -2.120 1.00 0.00 N ATOM 619 CA VAL A 44 0.022 2.939 -2.916 1.00 0.00 C ATOM 620 C VAL A 44 1.252 3.095 -2.030 1.00 0.00 C ATOM 621 O VAL A 44 1.523 4.178 -1.509 1.00 0.00 O ATOM 622 CB VAL A 44 -0.011 4.093 -3.936 1.00 0.00 C ATOM 623 CG1 VAL A 44 1.277 4.129 -4.745 1.00 0.00 C ATOM 624 CG2 VAL A 44 -1.220 3.960 -4.850 1.00 0.00 C ATOM 0 H VAL A 44 -1.427 3.778 -1.655 1.00 0.00 H new ATOM 0 HA VAL A 44 0.081 1.991 -3.451 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.096 5.034 -3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.235 4.951 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.124 4.275 -4.074 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.396 3.187 -5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.228 4.783 -5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.167 3.013 -5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.132 3.988 -4.254 1.00 0.00 H new ATOM 634 N CYS A 45 1.996 2.006 -1.862 1.00 0.00 N ATOM 635 CA CYS A 45 3.198 2.020 -1.038 1.00 0.00 C ATOM 636 C CYS A 45 4.237 2.983 -1.608 1.00 0.00 C ATOM 637 O CYS A 45 4.717 2.824 -2.730 1.00 0.00 O ATOM 638 CB CYS A 45 3.791 0.613 -0.939 1.00 0.00 C ATOM 639 SG CYS A 45 5.205 0.480 0.200 1.00 0.00 S ATOM 0 H CYS A 45 1.787 1.102 -2.286 1.00 0.00 H new ATOM 0 HA CYS A 45 2.920 2.361 -0.041 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.011 -0.076 -0.615 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.107 0.293 -1.932 1.00 0.00 H new ATOM 0 HG CYS A 45 5.635 -0.747 0.216 1.00 0.00 H new ATOM 644 N PRO A 46 4.593 4.005 -0.816 1.00 0.00 N ATOM 645 CA PRO A 46 5.578 5.013 -1.220 1.00 0.00 C ATOM 646 C PRO A 46 6.992 4.446 -1.289 1.00 0.00 C ATOM 647 O PRO A 46 7.956 5.181 -1.504 1.00 0.00 O ATOM 648 CB PRO A 46 5.478 6.069 -0.117 1.00 0.00 C ATOM 649 CG PRO A 46 4.969 5.328 1.071 1.00 0.00 C ATOM 650 CD PRO A 46 4.061 4.257 0.534 1.00 0.00 C ATOM 0 HA PRO A 46 5.378 5.401 -2.219 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.448 6.523 0.085 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.801 6.875 -0.401 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.790 4.894 1.641 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.430 5.994 1.745 1.00 0.00 H new ATOM 0 HD2 PRO A 46 4.089 3.359 1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 46 3.023 4.589 0.502 1.00 0.00 H new ATOM 658 N TYR A 47 7.108 3.136 -1.106 1.00 0.00 N ATOM 659 CA TYR A 47 8.405 2.471 -1.146 1.00 0.00 C ATOM 660 C TYR A 47 8.625 1.785 -2.490 1.00 0.00 C ATOM 661 O TYR A 47 9.563 2.108 -3.220 1.00 0.00 O ATOM 662 CB TYR A 47 8.511 1.447 -0.014 1.00 0.00 C ATOM 663 CG TYR A 47 8.253 2.030 1.356 1.00 0.00 C ATOM 664 CD1 TYR A 47 8.626 3.333 1.660 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.638 1.277 2.349 1.00 0.00 C ATOM 666 CE1 TYR A 47 8.392 3.870 2.911 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.399 1.806 3.602 1.00 0.00 C ATOM 668 CZ TYR A 47 7.778 3.103 3.879 1.00 0.00 C ATOM 669 OH TYR A 47 7.543 3.633 5.127 1.00 0.00 O ATOM 0 H TYR A 47 6.320 2.513 -0.928 1.00 0.00 H new ATOM 0 HA TYR A 47 9.178 3.229 -1.016 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.800 0.641 -0.197 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.506 1.003 -0.029 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.107 3.937 0.905 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.342 0.260 2.137 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.688 4.885 3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.918 1.207 4.361 1.00 0.00 H new ATOM 0 HH TYR A 47 7.102 2.962 5.690 1.00 0.00 H new ATOM 679 N CYS A 48 7.753 0.835 -2.812 1.00 0.00 N ATOM 680 CA CYS A 48 7.849 0.101 -4.068 1.00 0.00 C ATOM 681 C CYS A 48 6.781 0.567 -5.053 1.00 0.00 C ATOM 682 O CYS A 48 6.785 0.177 -6.220 1.00 0.00 O ATOM 683 CB CYS A 48 7.707 -1.401 -3.818 1.00 0.00 C ATOM 684 SG CYS A 48 6.212 -1.861 -2.883 1.00 0.00 S ATOM 0 H CYS A 48 6.971 0.555 -2.220 1.00 0.00 H new ATOM 0 HA CYS A 48 8.829 0.299 -4.501 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.696 -1.919 -4.777 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.585 -1.753 -3.276 1.00 0.00 H new ATOM 0 HG CYS A 48 6.180 -3.151 -2.723 1.00 0.00 H new ATOM 689 N SER A 49 5.867 1.405 -4.574 1.00 0.00 N ATOM 690 CA SER A 49 4.790 1.922 -5.411 1.00 0.00 C ATOM 691 C SER A 49 3.807 0.814 -5.777 1.00 0.00 C ATOM 692 O SER A 49 3.452 0.644 -6.944 1.00 0.00 O ATOM 693 CB SER A 49 5.361 2.553 -6.682 1.00 0.00 C ATOM 694 OG SER A 49 4.368 3.283 -7.380 1.00 0.00 O ATOM 0 H SER A 49 5.851 1.740 -3.611 1.00 0.00 H new ATOM 0 HA SER A 49 4.257 2.685 -4.844 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.188 3.214 -6.423 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.766 1.774 -7.328 1.00 0.00 H new ATOM 0 HG SER A 49 3.630 2.684 -7.621 1.00 0.00 H new ATOM 700 N LEU A 50 3.371 0.063 -4.771 1.00 0.00 N ATOM 701 CA LEU A 50 2.428 -1.029 -4.986 1.00 0.00 C ATOM 702 C LEU A 50 1.006 -0.500 -5.134 1.00 0.00 C ATOM 703 O LEU A 50 0.783 0.711 -5.162 1.00 0.00 O ATOM 704 CB LEU A 50 2.496 -2.022 -3.824 1.00 0.00 C ATOM 705 CG LEU A 50 3.394 -3.242 -4.035 1.00 0.00 C ATOM 706 CD1 LEU A 50 3.586 -3.996 -2.729 1.00 0.00 C ATOM 707 CD2 LEU A 50 2.809 -4.157 -5.101 1.00 0.00 C ATOM 0 H LEU A 50 3.655 0.190 -3.800 1.00 0.00 H new ATOM 0 HA LEU A 50 2.704 -1.538 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.842 -1.490 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.486 -2.372 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 50 4.369 -2.896 -4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.228 -4.861 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.050 -3.338 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.618 -4.330 -2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.461 -5.020 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.821 -4.495 -4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.725 -3.613 -6.042 1.00 0.00 H new ATOM 719 N ARG A 51 0.046 -1.414 -5.229 1.00 0.00 N ATOM 720 CA ARG A 51 -1.355 -1.039 -5.373 1.00 0.00 C ATOM 721 C ARG A 51 -2.269 -2.118 -4.799 1.00 0.00 C ATOM 722 O ARG A 51 -2.434 -3.186 -5.389 1.00 0.00 O ATOM 723 CB ARG A 51 -1.692 -0.802 -6.847 1.00 0.00 C ATOM 724 CG ARG A 51 -0.895 0.326 -7.480 1.00 0.00 C ATOM 725 CD ARG A 51 -1.041 0.330 -8.994 1.00 0.00 C ATOM 726 NE ARG A 51 0.011 -0.443 -9.647 1.00 0.00 N ATOM 727 CZ ARG A 51 -0.144 -1.053 -10.817 1.00 0.00 C ATOM 728 NH1 ARG A 51 -1.302 -0.979 -11.459 1.00 0.00 N ATOM 729 NH2 ARG A 51 0.861 -1.738 -11.348 1.00 0.00 N ATOM 0 H ARG A 51 0.213 -2.420 -5.209 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.517 -0.116 -4.816 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.511 -1.721 -7.405 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.755 -0.579 -6.937 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.233 1.281 -7.078 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.157 0.223 -7.215 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.014 -0.080 -9.265 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.015 1.357 -9.358 1.00 0.00 H new ATOM 0 HE ARG A 51 0.914 -0.519 -9.180 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.077 -0.453 -11.055 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.418 -1.448 -12.357 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.754 -1.797 -10.858 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.741 -2.206 -12.246 1.00 0.00 H new ATOM 743 N PHE A 52 -2.860 -1.832 -3.644 1.00 0.00 N ATOM 744 CA PHE A 52 -3.756 -2.777 -2.988 1.00 0.00 C ATOM 745 C PHE A 52 -5.196 -2.276 -3.022 1.00 0.00 C ATOM 746 O PHE A 52 -5.450 -1.099 -3.283 1.00 0.00 O ATOM 747 CB PHE A 52 -3.318 -3.007 -1.540 1.00 0.00 C ATOM 748 CG PHE A 52 -1.958 -3.632 -1.416 1.00 0.00 C ATOM 749 CD1 PHE A 52 -0.818 -2.845 -1.410 1.00 0.00 C ATOM 750 CD2 PHE A 52 -1.820 -5.006 -1.306 1.00 0.00 C ATOM 751 CE1 PHE A 52 0.435 -3.418 -1.298 1.00 0.00 C ATOM 752 CE2 PHE A 52 -0.570 -5.585 -1.193 1.00 0.00 C ATOM 753 CZ PHE A 52 0.559 -4.789 -1.188 1.00 0.00 C ATOM 0 H PHE A 52 -2.735 -0.953 -3.143 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.706 -3.721 -3.530 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.320 -2.053 -1.013 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.049 -3.646 -1.045 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.909 -1.772 -1.494 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.700 -5.632 -1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.316 -2.794 -1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.476 -6.658 -1.109 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.537 -5.238 -1.098 1.00 0.00 H new ATOM 763 N PHE A 53 -6.137 -3.176 -2.758 1.00 0.00 N ATOM 764 CA PHE A 53 -7.553 -2.827 -2.760 1.00 0.00 C ATOM 765 C PHE A 53 -7.873 -1.850 -1.633 1.00 0.00 C ATOM 766 O PHE A 53 -8.556 -0.847 -1.841 1.00 0.00 O ATOM 767 CB PHE A 53 -8.411 -4.086 -2.619 1.00 0.00 C ATOM 768 CG PHE A 53 -9.730 -3.839 -1.946 1.00 0.00 C ATOM 769 CD1 PHE A 53 -10.478 -2.712 -2.248 1.00 0.00 C ATOM 770 CD2 PHE A 53 -10.224 -4.734 -1.010 1.00 0.00 C ATOM 771 CE1 PHE A 53 -11.693 -2.482 -1.630 1.00 0.00 C ATOM 772 CE2 PHE A 53 -11.438 -4.510 -0.389 1.00 0.00 C ATOM 773 CZ PHE A 53 -12.173 -3.382 -0.699 1.00 0.00 C ATOM 0 H PHE A 53 -5.944 -4.154 -2.540 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.782 -2.345 -3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.590 -4.507 -3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -7.856 -4.833 -2.051 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.107 -2.005 -2.975 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.653 -5.617 -0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.266 -1.600 -1.875 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.812 -5.216 0.338 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.121 -3.204 -0.214 1.00 0.00 H new ATOM 783 N SER A 54 -7.375 -2.151 -0.438 1.00 0.00 N ATOM 784 CA SER A 54 -7.611 -1.303 0.725 1.00 0.00 C ATOM 785 C SER A 54 -6.296 -0.773 1.288 1.00 0.00 C ATOM 786 O SER A 54 -5.226 -1.348 1.080 1.00 0.00 O ATOM 787 CB SER A 54 -8.365 -2.080 1.805 1.00 0.00 C ATOM 788 OG SER A 54 -9.752 -2.138 1.518 1.00 0.00 O ATOM 0 H SER A 54 -6.805 -2.976 -0.250 1.00 0.00 H new ATOM 0 HA SER A 54 -8.218 -0.455 0.407 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.963 -3.091 1.878 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.211 -1.605 2.774 1.00 0.00 H new ATOM 0 HG SER A 54 -9.933 -2.900 0.929 1.00 0.00 H new ATOM 794 N PRO A 55 -6.374 0.349 2.018 1.00 0.00 N ATOM 795 CA PRO A 55 -5.200 0.981 2.627 1.00 0.00 C ATOM 796 C PRO A 55 -4.628 0.157 3.775 1.00 0.00 C ATOM 797 O PRO A 55 -3.423 0.174 4.023 1.00 0.00 O ATOM 798 CB PRO A 55 -5.744 2.315 3.145 1.00 0.00 C ATOM 799 CG PRO A 55 -7.198 2.072 3.362 1.00 0.00 C ATOM 800 CD PRO A 55 -7.616 1.087 2.306 1.00 0.00 C ATOM 0 HA PRO A 55 -4.380 1.086 1.917 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.250 2.612 4.070 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.580 3.116 2.425 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.382 1.675 4.360 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.765 2.999 3.277 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.404 0.424 2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.001 1.589 1.418 1.00 0.00 H new ATOM 808 N GLU A 56 -5.501 -0.564 4.473 1.00 0.00 N ATOM 809 CA GLU A 56 -5.081 -1.394 5.595 1.00 0.00 C ATOM 810 C GLU A 56 -4.164 -2.520 5.126 1.00 0.00 C ATOM 811 O GLU A 56 -3.241 -2.921 5.837 1.00 0.00 O ATOM 812 CB GLU A 56 -6.301 -1.980 6.310 1.00 0.00 C ATOM 813 CG GLU A 56 -6.860 -1.078 7.398 1.00 0.00 C ATOM 814 CD GLU A 56 -5.934 -0.964 8.594 1.00 0.00 C ATOM 815 OE1 GLU A 56 -5.244 -1.957 8.906 1.00 0.00 O ATOM 816 OE2 GLU A 56 -5.900 0.118 9.217 1.00 0.00 O ATOM 0 H GLU A 56 -6.502 -0.589 4.281 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.528 -0.764 6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.082 -2.177 5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.028 -2.939 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.039 -0.085 6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.825 -1.465 7.726 1.00 0.00 H new ATOM 823 N LEU A 57 -4.424 -3.025 3.926 1.00 0.00 N ATOM 824 CA LEU A 57 -3.623 -4.106 3.361 1.00 0.00 C ATOM 825 C LEU A 57 -2.184 -3.654 3.132 1.00 0.00 C ATOM 826 O LEU A 57 -1.237 -4.349 3.501 1.00 0.00 O ATOM 827 CB LEU A 57 -4.235 -4.586 2.044 1.00 0.00 C ATOM 828 CG LEU A 57 -5.247 -5.726 2.150 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.985 -5.910 0.833 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.555 -7.018 2.561 1.00 0.00 C ATOM 0 H LEU A 57 -5.183 -2.704 3.325 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.616 -4.931 4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.722 -3.738 1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.427 -4.905 1.386 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.976 -5.468 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.701 -6.726 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.514 -4.991 0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.270 -6.145 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.291 -7.819 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.803 -7.281 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.074 -6.881 3.530 1.00 0.00 H new ATOM 842 N LYS A 58 -2.027 -2.484 2.521 1.00 0.00 N ATOM 843 CA LYS A 58 -0.704 -1.936 2.245 1.00 0.00 C ATOM 844 C LYS A 58 0.062 -1.684 3.540 1.00 0.00 C ATOM 845 O LYS A 58 1.245 -2.004 3.643 1.00 0.00 O ATOM 846 CB LYS A 58 -0.824 -0.634 1.450 1.00 0.00 C ATOM 847 CG LYS A 58 0.515 -0.034 1.060 1.00 0.00 C ATOM 848 CD LYS A 58 1.020 0.935 2.115 1.00 0.00 C ATOM 849 CE LYS A 58 0.232 2.236 2.101 1.00 0.00 C ATOM 850 NZ LYS A 58 0.423 2.986 0.829 1.00 0.00 N ATOM 0 H LYS A 58 -2.800 -1.897 2.208 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.152 -2.667 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.405 -0.822 0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.380 0.093 2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.245 -0.831 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.419 0.484 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.945 0.474 3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.075 1.146 1.941 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.827 2.020 2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.543 2.858 2.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.103 3.882 0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.435 3.184 0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.071 2.416 0.034 1.00 0.00 H new ATOM 864 N GLN A 59 -0.623 -1.111 4.525 1.00 0.00 N ATOM 865 CA GLN A 59 -0.006 -0.817 5.813 1.00 0.00 C ATOM 866 C GLN A 59 0.865 -1.980 6.277 1.00 0.00 C ATOM 867 O GLN A 59 2.049 -1.806 6.560 1.00 0.00 O ATOM 868 CB GLN A 59 -1.080 -0.519 6.860 1.00 0.00 C ATOM 869 CG GLN A 59 -1.654 0.885 6.761 1.00 0.00 C ATOM 870 CD GLN A 59 -2.649 1.189 7.864 1.00 0.00 C ATOM 871 OE1 GLN A 59 -2.659 0.531 8.904 1.00 0.00 O ATOM 872 NE2 GLN A 59 -3.492 2.191 7.641 1.00 0.00 N ATOM 0 H GLN A 59 -1.604 -0.842 4.456 1.00 0.00 H new ATOM 0 HA GLN A 59 0.627 0.062 5.692 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.889 -1.242 6.754 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.655 -0.660 7.854 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.841 1.609 6.801 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.142 1.007 5.794 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.447 2.709 6.764 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.184 2.442 8.347 1.00 0.00 H new ATOM 881 N GLU A 60 0.268 -3.166 6.354 1.00 0.00 N ATOM 882 CA GLU A 60 0.990 -4.357 6.785 1.00 0.00 C ATOM 883 C GLU A 60 2.237 -4.577 5.932 1.00 0.00 C ATOM 884 O GLU A 60 3.349 -4.673 6.451 1.00 0.00 O ATOM 885 CB GLU A 60 0.083 -5.587 6.708 1.00 0.00 C ATOM 886 CG GLU A 60 -1.225 -5.426 7.465 1.00 0.00 C ATOM 887 CD GLU A 60 -1.034 -5.443 8.969 1.00 0.00 C ATOM 888 OE1 GLU A 60 0.059 -5.059 9.433 1.00 0.00 O ATOM 889 OE2 GLU A 60 -1.980 -5.840 9.682 1.00 0.00 O ATOM 0 H GLU A 60 -0.713 -3.327 6.124 1.00 0.00 H new ATOM 0 HA GLU A 60 1.300 -4.207 7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.136 -5.802 5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.619 -6.449 7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.696 -4.488 7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.907 -6.227 7.180 1.00 0.00 H new ATOM 896 N HIS A 61 2.042 -4.655 4.620 1.00 0.00 N ATOM 897 CA HIS A 61 3.149 -4.863 3.693 1.00 0.00 C ATOM 898 C HIS A 61 4.304 -3.917 4.006 1.00 0.00 C ATOM 899 O HIS A 61 5.429 -4.354 4.246 1.00 0.00 O ATOM 900 CB HIS A 61 2.682 -4.658 2.252 1.00 0.00 C ATOM 901 CG HIS A 61 3.798 -4.370 1.296 1.00 0.00 C ATOM 902 ND1 HIS A 61 4.587 -5.356 0.742 1.00 0.00 N ATOM 903 CD2 HIS A 61 4.255 -3.199 0.794 1.00 0.00 C ATOM 904 CE1 HIS A 61 5.482 -4.804 -0.058 1.00 0.00 C ATOM 905 NE2 HIS A 61 5.301 -3.496 -0.044 1.00 0.00 N ATOM 0 H HIS A 61 1.128 -4.577 4.174 1.00 0.00 H new ATOM 0 HA HIS A 61 3.500 -5.888 3.810 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.152 -5.551 1.920 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.969 -3.834 2.224 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.869 -2.214 1.012 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.233 -5.332 -0.626 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.850 -2.816 -0.571 1.00 0.00 H new ATOM 913 N GLU A 62 4.018 -2.619 4.001 1.00 0.00 N ATOM 914 CA GLU A 62 5.034 -1.611 4.282 1.00 0.00 C ATOM 915 C GLU A 62 5.984 -2.089 5.376 1.00 0.00 C ATOM 916 O GLU A 62 7.199 -1.917 5.277 1.00 0.00 O ATOM 917 CB GLU A 62 4.376 -0.295 4.701 1.00 0.00 C ATOM 918 CG GLU A 62 4.163 0.673 3.549 1.00 0.00 C ATOM 919 CD GLU A 62 3.203 1.793 3.899 1.00 0.00 C ATOM 920 OE1 GLU A 62 2.369 1.597 4.808 1.00 0.00 O ATOM 921 OE2 GLU A 62 3.284 2.865 3.263 1.00 0.00 O ATOM 0 H GLU A 62 3.091 -2.241 3.805 1.00 0.00 H new ATOM 0 HA GLU A 62 5.609 -1.446 3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.414 -0.511 5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.995 0.186 5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.122 1.100 3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.780 0.127 2.687 1.00 0.00 H new ATOM 928 N SER A 63 5.422 -2.689 6.421 1.00 0.00 N ATOM 929 CA SER A 63 6.218 -3.187 7.536 1.00 0.00 C ATOM 930 C SER A 63 7.252 -4.200 7.055 1.00 0.00 C ATOM 931 O SER A 63 8.414 -4.159 7.460 1.00 0.00 O ATOM 932 CB SER A 63 5.313 -3.827 8.590 1.00 0.00 C ATOM 933 OG SER A 63 6.010 -4.027 9.808 1.00 0.00 O ATOM 0 H SER A 63 4.418 -2.842 6.518 1.00 0.00 H new ATOM 0 HA SER A 63 6.742 -2.342 7.982 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.446 -3.190 8.764 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.938 -4.782 8.221 1.00 0.00 H new ATOM 0 HG SER A 63 5.409 -4.436 10.465 1.00 0.00 H new ATOM 939 N LYS A 64 6.821 -5.110 6.188 1.00 0.00 N ATOM 940 CA LYS A 64 7.708 -6.135 5.649 1.00 0.00 C ATOM 941 C LYS A 64 8.081 -5.825 4.203 1.00 0.00 C ATOM 942 O LYS A 64 8.444 -6.720 3.439 1.00 0.00 O ATOM 943 CB LYS A 64 7.042 -7.510 5.732 1.00 0.00 C ATOM 944 CG LYS A 64 5.569 -7.496 5.359 1.00 0.00 C ATOM 945 CD LYS A 64 4.687 -7.291 6.579 1.00 0.00 C ATOM 946 CE LYS A 64 3.224 -7.558 6.259 1.00 0.00 C ATOM 947 NZ LYS A 64 2.944 -9.014 6.118 1.00 0.00 N ATOM 0 H LYS A 64 5.862 -5.159 5.843 1.00 0.00 H new ATOM 0 HA LYS A 64 8.619 -6.143 6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.569 -8.200 5.073 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.148 -7.895 6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.383 -6.701 4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.307 -8.436 4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.012 -7.954 7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.800 -6.270 6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.598 -7.143 7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.955 -7.045 5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.916 -9.167 6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.389 -9.370 5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.331 -9.523 6.938 1.00 0.00 H new ATOM 961 N CYS A 65 7.992 -4.552 3.833 1.00 0.00 N ATOM 962 CA CYS A 65 8.322 -4.123 2.479 1.00 0.00 C ATOM 963 C CYS A 65 9.831 -4.134 2.257 1.00 0.00 C ATOM 964 O CYS A 65 10.545 -3.256 2.741 1.00 0.00 O ATOM 965 CB CYS A 65 7.766 -2.722 2.216 1.00 0.00 C ATOM 966 SG CYS A 65 8.206 -2.043 0.584 1.00 0.00 S ATOM 0 H CYS A 65 7.694 -3.799 4.453 1.00 0.00 H new ATOM 0 HA CYS A 65 7.865 -4.825 1.781 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.680 -2.751 2.305 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.131 -2.046 2.989 1.00 0.00 H new ATOM 0 HG CYS A 65 7.933 -2.918 -0.338 1.00 0.00 H new ATOM 971 N GLU A 66 10.309 -5.133 1.523 1.00 0.00 N ATOM 972 CA GLU A 66 11.734 -5.258 1.238 1.00 0.00 C ATOM 973 C GLU A 66 12.271 -3.988 0.584 1.00 0.00 C ATOM 974 O GLU A 66 13.442 -3.643 0.742 1.00 0.00 O ATOM 975 CB GLU A 66 11.992 -6.461 0.329 1.00 0.00 C ATOM 976 CG GLU A 66 10.990 -6.592 -0.806 1.00 0.00 C ATOM 977 CD GLU A 66 11.468 -7.526 -1.901 1.00 0.00 C ATOM 978 OE1 GLU A 66 11.473 -8.754 -1.675 1.00 0.00 O ATOM 979 OE2 GLU A 66 11.837 -7.028 -2.985 1.00 0.00 O ATOM 0 H GLU A 66 9.731 -5.868 1.115 1.00 0.00 H new ATOM 0 HA GLU A 66 12.255 -5.408 2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.995 -6.380 -0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.970 -7.371 0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.043 -6.958 -0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.798 -5.607 -1.232 1.00 0.00 H new ATOM 986 N TYR A 67 11.406 -3.298 -0.151 1.00 0.00 N ATOM 987 CA TYR A 67 11.793 -2.068 -0.833 1.00 0.00 C ATOM 988 C TYR A 67 11.909 -0.911 0.155 1.00 0.00 C ATOM 989 O TYR A 67 12.615 0.066 -0.094 1.00 0.00 O ATOM 990 CB TYR A 67 10.777 -1.723 -1.922 1.00 0.00 C ATOM 991 CG TYR A 67 11.136 -2.276 -3.283 1.00 0.00 C ATOM 992 CD1 TYR A 67 11.436 -3.623 -3.450 1.00 0.00 C ATOM 993 CD2 TYR A 67 11.174 -1.453 -4.402 1.00 0.00 C ATOM 994 CE1 TYR A 67 11.765 -4.132 -4.691 1.00 0.00 C ATOM 995 CE2 TYR A 67 11.501 -1.955 -5.647 1.00 0.00 C ATOM 996 CZ TYR A 67 11.796 -3.295 -5.786 1.00 0.00 C ATOM 997 OH TYR A 67 12.123 -3.799 -7.024 1.00 0.00 O ATOM 0 H TYR A 67 10.433 -3.569 -0.290 1.00 0.00 H new ATOM 0 HA TYR A 67 12.768 -2.229 -1.293 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.799 -2.107 -1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.686 -0.639 -1.992 1.00 0.00 H new ATOM 0 HD1 TYR A 67 11.411 -4.282 -2.595 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.944 -0.403 -4.297 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.997 -5.181 -4.803 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.525 -1.302 -6.507 1.00 0.00 H new ATOM 0 HH TYR A 67 12.098 -3.078 -7.688 1.00 0.00 H new ATOM 1007 N LYS A 68 11.212 -1.030 1.280 1.00 0.00 N ATOM 1008 CA LYS A 68 11.236 0.002 2.309 1.00 0.00 C ATOM 1009 C LYS A 68 12.663 0.471 2.576 1.00 0.00 C ATOM 1010 O LYS A 68 12.976 1.653 2.434 1.00 0.00 O ATOM 1011 CB LYS A 68 10.610 -0.523 3.603 1.00 0.00 C ATOM 1012 CG LYS A 68 10.743 0.434 4.775 1.00 0.00 C ATOM 1013 CD LYS A 68 9.638 0.222 5.796 1.00 0.00 C ATOM 1014 CE LYS A 68 9.837 1.099 7.023 1.00 0.00 C ATOM 1015 NZ LYS A 68 10.654 0.418 8.065 1.00 0.00 N ATOM 0 H LYS A 68 10.623 -1.832 1.502 1.00 0.00 H new ATOM 0 HA LYS A 68 10.654 0.851 1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.553 -0.726 3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.079 -1.472 3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.713 0.293 5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.712 1.461 4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.673 0.445 5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.615 -0.826 6.096 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.324 2.029 6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.866 1.366 7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.767 1.048 8.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.177 -0.456 8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.590 0.186 7.676 1.00 0.00 H new ATOM 1029 N LYS A 69 13.525 -0.463 2.962 1.00 0.00 N ATOM 1030 CA LYS A 69 14.920 -0.147 3.246 1.00 0.00 C ATOM 1031 C LYS A 69 15.633 0.347 1.991 1.00 0.00 C ATOM 1032 O LYS A 69 16.546 1.170 2.067 1.00 0.00 O ATOM 1033 CB LYS A 69 15.640 -1.378 3.802 1.00 0.00 C ATOM 1034 CG LYS A 69 15.942 -2.433 2.752 1.00 0.00 C ATOM 1035 CD LYS A 69 16.659 -3.630 3.354 1.00 0.00 C ATOM 1036 CE LYS A 69 17.259 -4.520 2.276 1.00 0.00 C ATOM 1037 NZ LYS A 69 18.233 -5.494 2.841 1.00 0.00 N ATOM 0 H LYS A 69 13.282 -1.446 3.086 1.00 0.00 H new ATOM 0 HA LYS A 69 14.942 0.648 3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.574 -1.063 4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 69 15.028 -1.823 4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.012 -2.761 2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.557 -1.998 1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 69 17.447 -3.285 4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.960 -4.209 3.958 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.462 -5.059 1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 69 17.756 -3.901 1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.620 -6.082 2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 19.007 -4.980 3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.753 -6.102 3.535 1.00 0.00 H new ATOM 1051 N LEU A 70 15.209 -0.158 0.838 1.00 0.00 N ATOM 1052 CA LEU A 70 15.805 0.234 -0.435 1.00 0.00 C ATOM 1053 C LEU A 70 15.107 1.464 -1.008 1.00 0.00 C ATOM 1054 O LEU A 70 15.122 1.692 -2.218 1.00 0.00 O ATOM 1055 CB LEU A 70 15.729 -0.921 -1.434 1.00 0.00 C ATOM 1056 CG LEU A 70 16.479 -2.196 -1.044 1.00 0.00 C ATOM 1057 CD1 LEU A 70 16.204 -3.305 -2.048 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.973 -1.925 -0.942 1.00 0.00 C ATOM 0 H LEU A 70 14.455 -0.840 0.758 1.00 0.00 H new ATOM 0 HA LEU A 70 16.851 0.483 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.680 -1.173 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.117 -0.573 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 70 16.121 -2.521 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.746 -4.204 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.135 -3.517 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.534 -2.990 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.491 -2.843 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 70 18.346 -1.575 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 70 18.154 -1.162 -0.184 1.00 0.00 H new ATOM 1070 N THR A 71 14.498 2.255 -0.130 1.00 0.00 N ATOM 1071 CA THR A 71 13.795 3.461 -0.548 1.00 0.00 C ATOM 1072 C THR A 71 14.347 4.692 0.163 1.00 0.00 C ATOM 1073 O THR A 71 14.191 4.844 1.375 1.00 0.00 O ATOM 1074 CB THR A 71 12.284 3.356 -0.270 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.731 2.244 -0.982 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.568 4.634 -0.680 1.00 0.00 C ATOM 0 H THR A 71 14.478 2.082 0.875 1.00 0.00 H new ATOM 0 HA THR A 71 13.952 3.563 -1.622 1.00 0.00 H new ATOM 0 HB THR A 71 12.144 3.207 0.801 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.895 1.419 -0.479 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.502 4.536 -0.474 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.971 5.474 -0.115 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.717 4.809 -1.746 1.00 0.00 H new ATOM 1084 N CYS A 72 14.991 5.570 -0.599 1.00 0.00 N ATOM 1085 CA CYS A 72 15.566 6.789 -0.042 1.00 0.00 C ATOM 1086 C CYS A 72 14.471 7.732 0.448 1.00 0.00 C ATOM 1087 O CYS A 72 14.041 8.632 -0.276 1.00 0.00 O ATOM 1088 CB CYS A 72 16.430 7.494 -1.089 1.00 0.00 C ATOM 1089 SG CYS A 72 17.511 8.793 -0.409 1.00 0.00 S ATOM 0 H CYS A 72 15.128 5.460 -1.604 1.00 0.00 H new ATOM 0 HA CYS A 72 16.190 6.512 0.808 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.047 6.751 -1.595 1.00 0.00 H new ATOM 0 HB3 CYS A 72 15.779 7.936 -1.844 1.00 0.00 H new ATOM 0 HG CYS A 72 17.303 8.905 0.869 1.00 0.00 H new ATOM 1094 N LEU A 73 14.024 7.521 1.681 1.00 0.00 N ATOM 1095 CA LEU A 73 12.980 8.352 2.269 1.00 0.00 C ATOM 1096 C LEU A 73 13.296 9.833 2.090 1.00 0.00 C ATOM 1097 O LEU A 73 12.394 10.667 2.029 1.00 0.00 O ATOM 1098 CB LEU A 73 12.821 8.029 3.756 1.00 0.00 C ATOM 1099 CG LEU A 73 12.710 6.547 4.113 1.00 0.00 C ATOM 1100 CD1 LEU A 73 12.682 6.362 5.622 1.00 0.00 C ATOM 1101 CD2 LEU A 73 11.470 5.936 3.476 1.00 0.00 C ATOM 0 H LEU A 73 14.369 6.781 2.293 1.00 0.00 H new ATOM 0 HA LEU A 73 12.044 8.135 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.673 8.448 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.931 8.539 4.125 1.00 0.00 H new ATOM 0 HG LEU A 73 13.587 6.032 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.603 5.301 5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.599 6.762 6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.824 6.891 6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.407 4.881 3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.582 6.454 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.531 6.035 2.392 1.00 0.00 H new ATOM 1113 N GLU A 74 14.584 10.151 2.003 1.00 0.00 N ATOM 1114 CA GLU A 74 15.019 11.532 1.828 1.00 0.00 C ATOM 1115 C GLU A 74 14.353 12.162 0.608 1.00 0.00 C ATOM 1116 O GLU A 74 13.671 13.182 0.716 1.00 0.00 O ATOM 1117 CB GLU A 74 16.541 11.597 1.682 1.00 0.00 C ATOM 1118 CG GLU A 74 17.290 11.224 2.951 1.00 0.00 C ATOM 1119 CD GLU A 74 18.793 11.196 2.753 1.00 0.00 C ATOM 1120 OE1 GLU A 74 19.258 10.503 1.824 1.00 0.00 O ATOM 1121 OE2 GLU A 74 19.505 11.868 3.529 1.00 0.00 O ATOM 0 H GLU A 74 15.344 9.472 2.051 1.00 0.00 H new ATOM 0 HA GLU A 74 14.722 12.094 2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 74 16.849 10.929 0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.826 12.606 1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.044 11.938 3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.954 10.245 3.293 1.00 0.00 H new ATOM 1128 N CYS A 75 14.557 11.548 -0.553 1.00 0.00 N ATOM 1129 CA CYS A 75 13.978 12.048 -1.794 1.00 0.00 C ATOM 1130 C CYS A 75 13.199 10.950 -2.511 1.00 0.00 C ATOM 1131 O CYS A 75 13.304 10.792 -3.727 1.00 0.00 O ATOM 1132 CB CYS A 75 15.077 12.591 -2.711 1.00 0.00 C ATOM 1133 SG CYS A 75 16.275 11.334 -3.260 1.00 0.00 S ATOM 0 H CYS A 75 15.119 10.703 -0.660 1.00 0.00 H new ATOM 0 HA CYS A 75 13.289 12.855 -1.546 1.00 0.00 H new ATOM 0 HB2 CYS A 75 14.613 13.043 -3.588 1.00 0.00 H new ATOM 0 HB3 CYS A 75 15.612 13.384 -2.189 1.00 0.00 H new ATOM 0 HG CYS A 75 17.163 11.888 -4.031 1.00 0.00 H new ATOM 1138 N MET A 76 12.416 10.193 -1.749 1.00 0.00 N ATOM 1139 CA MET A 76 11.617 9.110 -2.312 1.00 0.00 C ATOM 1140 C MET A 76 12.304 8.506 -3.532 1.00 0.00 C ATOM 1141 O MET A 76 11.715 8.422 -4.610 1.00 0.00 O ATOM 1142 CB MET A 76 10.227 9.620 -2.695 1.00 0.00 C ATOM 1143 CG MET A 76 9.190 9.440 -1.599 1.00 0.00 C ATOM 1144 SD MET A 76 9.672 10.228 -0.050 1.00 0.00 S ATOM 1145 CE MET A 76 9.820 8.802 1.024 1.00 0.00 C ATOM 0 H MET A 76 12.318 10.309 -0.740 1.00 0.00 H new ATOM 0 HA MET A 76 11.515 8.334 -1.553 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.295 10.678 -2.950 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.891 9.097 -3.591 1.00 0.00 H new ATOM 0 HG2 MET A 76 8.239 9.855 -1.933 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.031 8.376 -1.426 1.00 0.00 H new ATOM 0 HE1 MET A 76 10.329 9.090 1.944 1.00 0.00 H new ATOM 0 HE2 MET A 76 8.827 8.422 1.263 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.394 8.025 0.520 1.00 0.00 H new ATOM 1155 N ARG A 77 13.553 8.087 -3.356 1.00 0.00 N ATOM 1156 CA ARG A 77 14.320 7.491 -4.443 1.00 0.00 C ATOM 1157 C ARG A 77 14.667 6.038 -4.132 1.00 0.00 C ATOM 1158 O ARG A 77 15.565 5.759 -3.336 1.00 0.00 O ATOM 1159 CB ARG A 77 15.601 8.291 -4.690 1.00 0.00 C ATOM 1160 CG ARG A 77 16.237 8.019 -6.044 1.00 0.00 C ATOM 1161 CD ARG A 77 17.030 9.219 -6.537 1.00 0.00 C ATOM 1162 NE ARG A 77 16.162 10.271 -7.061 1.00 0.00 N ATOM 1163 CZ ARG A 77 15.717 10.300 -8.312 1.00 0.00 C ATOM 1164 NH1 ARG A 77 16.056 9.341 -9.163 1.00 0.00 N ATOM 1165 NH2 ARG A 77 14.931 11.290 -8.715 1.00 0.00 N ATOM 0 H ARG A 77 14.055 8.149 -2.470 1.00 0.00 H new ATOM 0 HA ARG A 77 13.705 7.515 -5.343 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.376 9.355 -4.611 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.322 8.058 -3.906 1.00 0.00 H new ATOM 0 HG2 ARG A 77 16.894 7.152 -5.971 1.00 0.00 H new ATOM 0 HG3 ARG A 77 15.461 7.771 -6.769 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.630 9.618 -5.719 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.724 8.900 -7.315 1.00 0.00 H new ATOM 0 HE ARG A 77 15.883 11.024 -6.432 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.660 8.578 -8.857 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.712 9.366 -10.123 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.668 12.030 -8.064 1.00 0.00 H new ATOM 0 HH22 ARG A 77 14.590 11.311 -9.676 1.00 0.00 H new ATOM 1179 N THR A 78 13.949 5.115 -4.764 1.00 0.00 N ATOM 1180 CA THR A 78 14.180 3.691 -4.554 1.00 0.00 C ATOM 1181 C THR A 78 15.288 3.174 -5.463 1.00 0.00 C ATOM 1182 O THR A 78 15.423 3.611 -6.606 1.00 0.00 O ATOM 1183 CB THR A 78 12.900 2.872 -4.806 1.00 0.00 C ATOM 1184 OG1 THR A 78 11.814 3.414 -4.047 1.00 0.00 O ATOM 1185 CG2 THR A 78 13.109 1.413 -4.431 1.00 0.00 C ATOM 0 H THR A 78 13.203 5.328 -5.426 1.00 0.00 H new ATOM 0 HA THR A 78 14.482 3.569 -3.514 1.00 0.00 H new ATOM 0 HB THR A 78 12.663 2.927 -5.868 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.141 2.718 -3.895 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.192 0.854 -4.617 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.917 0.995 -5.032 1.00 0.00 H new ATOM 0 HG23 THR A 78 13.368 1.342 -3.375 1.00 0.00 H new ATOM 1193 N PHE A 79 16.081 2.239 -4.948 1.00 0.00 N ATOM 1194 CA PHE A 79 17.179 1.661 -5.715 1.00 0.00 C ATOM 1195 C PHE A 79 17.030 0.147 -5.821 1.00 0.00 C ATOM 1196 O PHE A 79 16.054 -0.429 -5.340 1.00 0.00 O ATOM 1197 CB PHE A 79 18.520 2.009 -5.065 1.00 0.00 C ATOM 1198 CG PHE A 79 18.852 3.473 -5.122 1.00 0.00 C ATOM 1199 CD1 PHE A 79 17.988 4.414 -4.585 1.00 0.00 C ATOM 1200 CD2 PHE A 79 20.028 3.908 -5.711 1.00 0.00 C ATOM 1201 CE1 PHE A 79 18.290 5.762 -4.637 1.00 0.00 C ATOM 1202 CE2 PHE A 79 20.336 5.255 -5.765 1.00 0.00 C ATOM 1203 CZ PHE A 79 19.466 6.182 -5.226 1.00 0.00 C ATOM 0 H PHE A 79 15.984 1.866 -4.004 1.00 0.00 H new ATOM 0 HA PHE A 79 17.149 2.082 -6.720 1.00 0.00 H new ATOM 0 HB2 PHE A 79 18.504 1.689 -4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 79 19.311 1.446 -5.559 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.068 4.091 -4.121 1.00 0.00 H new ATOM 0 HD2 PHE A 79 20.712 3.187 -6.133 1.00 0.00 H new ATOM 0 HE1 PHE A 79 17.607 6.486 -4.217 1.00 0.00 H new ATOM 0 HE2 PHE A 79 21.255 5.581 -6.228 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.705 7.234 -5.265 1.00 0.00 H new ATOM 1213 N LYS A 80 18.006 -0.495 -6.455 1.00 0.00 N ATOM 1214 CA LYS A 80 17.987 -1.942 -6.625 1.00 0.00 C ATOM 1215 C LYS A 80 18.628 -2.640 -5.429 1.00 0.00 C ATOM 1216 O LYS A 80 18.102 -3.630 -4.921 1.00 0.00 O ATOM 1217 CB LYS A 80 18.718 -2.335 -7.911 1.00 0.00 C ATOM 1218 CG LYS A 80 17.837 -2.299 -9.147 1.00 0.00 C ATOM 1219 CD LYS A 80 18.661 -2.137 -10.414 1.00 0.00 C ATOM 1220 CE LYS A 80 17.882 -2.574 -11.645 1.00 0.00 C ATOM 1221 NZ LYS A 80 17.694 -4.050 -11.689 1.00 0.00 N ATOM 0 H LYS A 80 18.821 -0.034 -6.860 1.00 0.00 H new ATOM 0 HA LYS A 80 16.947 -2.261 -6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 80 19.563 -1.663 -8.058 1.00 0.00 H new ATOM 0 HB3 LYS A 80 19.126 -3.339 -7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 80 17.254 -3.218 -9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.127 -1.476 -9.065 1.00 0.00 H new ATOM 0 HD2 LYS A 80 18.961 -1.095 -10.523 1.00 0.00 H new ATOM 0 HD3 LYS A 80 19.575 -2.725 -10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.908 -2.084 -11.651 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.409 -2.248 -12.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.426 -4.337 -12.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 18.582 -4.521 -11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.943 -4.324 -11.024 1.00 0.00 H new ATOM 1235 N SER A 81 19.765 -2.116 -4.985 1.00 0.00 N ATOM 1236 CA SER A 81 20.479 -2.689 -3.850 1.00 0.00 C ATOM 1237 C SER A 81 20.546 -1.697 -2.693 1.00 0.00 C ATOM 1238 O SER A 81 20.057 -0.572 -2.795 1.00 0.00 O ATOM 1239 CB SER A 81 21.892 -3.103 -4.265 1.00 0.00 C ATOM 1240 OG SER A 81 21.860 -3.996 -5.365 1.00 0.00 O ATOM 0 H SER A 81 20.212 -1.295 -5.394 1.00 0.00 H new ATOM 0 HA SER A 81 19.933 -3.572 -3.517 1.00 0.00 H new ATOM 0 HB2 SER A 81 22.471 -2.218 -4.528 1.00 0.00 H new ATOM 0 HB3 SER A 81 22.398 -3.576 -3.423 1.00 0.00 H new ATOM 0 HG SER A 81 22.775 -4.244 -5.612 1.00 0.00 H new ATOM 1246 N SER A 82 21.156 -2.123 -1.591 1.00 0.00 N ATOM 1247 CA SER A 82 21.285 -1.275 -0.412 1.00 0.00 C ATOM 1248 C SER A 82 22.600 -0.501 -0.441 1.00 0.00 C ATOM 1249 O SER A 82 22.688 0.614 0.073 1.00 0.00 O ATOM 1250 CB SER A 82 21.206 -2.120 0.861 1.00 0.00 C ATOM 1251 OG SER A 82 22.151 -3.175 0.833 1.00 0.00 O ATOM 0 H SER A 82 21.569 -3.050 -1.490 1.00 0.00 H new ATOM 0 HA SER A 82 20.462 -0.560 -0.417 1.00 0.00 H new ATOM 0 HB2 SER A 82 21.386 -1.489 1.731 1.00 0.00 H new ATOM 0 HB3 SER A 82 20.202 -2.530 0.967 1.00 0.00 H new ATOM 0 HG SER A 82 22.081 -3.699 1.658 1.00 0.00 H new ATOM 1257 N PHE A 83 23.619 -1.101 -1.047 1.00 0.00 N ATOM 1258 CA PHE A 83 24.930 -0.469 -1.143 1.00 0.00 C ATOM 1259 C PHE A 83 24.926 0.636 -2.195 1.00 0.00 C ATOM 1260 O PHE A 83 25.637 1.632 -2.068 1.00 0.00 O ATOM 1261 CB PHE A 83 25.998 -1.511 -1.485 1.00 0.00 C ATOM 1262 CG PHE A 83 27.284 -0.912 -1.976 1.00 0.00 C ATOM 1263 CD1 PHE A 83 28.096 -0.184 -1.121 1.00 0.00 C ATOM 1264 CD2 PHE A 83 27.682 -1.076 -3.293 1.00 0.00 C ATOM 1265 CE1 PHE A 83 29.280 0.369 -1.571 1.00 0.00 C ATOM 1266 CE2 PHE A 83 28.865 -0.525 -3.749 1.00 0.00 C ATOM 1267 CZ PHE A 83 29.666 0.197 -2.886 1.00 0.00 C ATOM 0 H PHE A 83 23.563 -2.023 -1.479 1.00 0.00 H new ATOM 0 HA PHE A 83 25.163 -0.024 -0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 83 26.202 -2.114 -0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 83 25.606 -2.185 -2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 83 27.800 -0.047 -0.091 1.00 0.00 H new ATOM 0 HD2 PHE A 83 27.060 -1.641 -3.972 1.00 0.00 H new ATOM 0 HE1 PHE A 83 29.903 0.935 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 83 29.162 -0.659 -4.779 1.00 0.00 H new ATOM 0 HZ PHE A 83 30.592 0.626 -3.239 1.00 0.00 H new ATOM 1277 N SER A 84 24.120 0.450 -3.236 1.00 0.00 N ATOM 1278 CA SER A 84 24.026 1.428 -4.314 1.00 0.00 C ATOM 1279 C SER A 84 23.399 2.726 -3.816 1.00 0.00 C ATOM 1280 O SER A 84 23.911 3.815 -4.077 1.00 0.00 O ATOM 1281 CB SER A 84 23.203 0.863 -5.473 1.00 0.00 C ATOM 1282 OG SER A 84 23.853 -0.248 -6.066 1.00 0.00 O ATOM 0 H SER A 84 23.523 -0.368 -3.356 1.00 0.00 H new ATOM 0 HA SER A 84 25.035 1.643 -4.665 1.00 0.00 H new ATOM 0 HB2 SER A 84 22.219 0.563 -5.112 1.00 0.00 H new ATOM 0 HB3 SER A 84 23.045 1.638 -6.223 1.00 0.00 H new ATOM 0 HG SER A 84 23.306 -0.592 -6.803 1.00 0.00 H new ATOM 1288 N ILE A 85 22.288 2.602 -3.097 1.00 0.00 N ATOM 1289 CA ILE A 85 21.592 3.765 -2.561 1.00 0.00 C ATOM 1290 C ILE A 85 22.368 4.387 -1.406 1.00 0.00 C ATOM 1291 O ILE A 85 22.295 5.594 -1.173 1.00 0.00 O ATOM 1292 CB ILE A 85 20.177 3.399 -2.075 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.440 4.650 -1.592 1.00 0.00 C ATOM 1294 CG2 ILE A 85 20.249 2.360 -0.967 1.00 0.00 C ATOM 1295 CD1 ILE A 85 18.053 4.367 -1.060 1.00 0.00 C ATOM 0 H ILE A 85 21.851 1.708 -2.872 1.00 0.00 H new ATOM 0 HA ILE A 85 21.514 4.487 -3.373 1.00 0.00 H new ATOM 0 HB ILE A 85 19.622 2.973 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.029 5.130 -0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.366 5.359 -2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.241 2.112 -0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.739 1.461 -1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 85 20.819 2.761 -0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.590 5.299 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.447 3.915 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.120 3.682 -0.215 1.00 0.00 H new ATOM 1307 N TRP A 86 23.114 3.556 -0.686 1.00 0.00 N ATOM 1308 CA TRP A 86 23.906 4.025 0.445 1.00 0.00 C ATOM 1309 C TRP A 86 24.791 5.199 0.040 1.00 0.00 C ATOM 1310 O TRP A 86 24.862 6.206 0.745 1.00 0.00 O ATOM 1311 CB TRP A 86 24.768 2.888 0.996 1.00 0.00 C ATOM 1312 CG TRP A 86 25.552 3.273 2.214 1.00 0.00 C ATOM 1313 CD1 TRP A 86 25.068 3.444 3.480 1.00 0.00 C ATOM 1314 CD2 TRP A 86 26.957 3.538 2.281 1.00 0.00 C ATOM 1315 NE1 TRP A 86 26.088 3.799 4.329 1.00 0.00 N ATOM 1316 CE2 TRP A 86 27.257 3.863 3.618 1.00 0.00 C ATOM 1317 CE3 TRP A 86 27.991 3.532 1.341 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 28.547 4.178 4.036 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.271 3.845 1.757 1.00 0.00 C ATOM 1320 CH2 TRP A 86 29.541 4.163 3.095 1.00 0.00 C ATOM 0 H TRP A 86 23.187 2.555 -0.866 1.00 0.00 H new ATOM 0 HA TRP A 86 23.220 4.362 1.222 1.00 0.00 H new ATOM 0 HB2 TRP A 86 24.127 2.040 1.238 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.457 2.555 0.220 1.00 0.00 H new ATOM 0 HD1 TRP A 86 24.035 3.319 3.771 1.00 0.00 H new ATOM 0 HE1 TRP A 86 25.991 3.985 5.327 1.00 0.00 H new ATOM 0 HE3 TRP A 86 27.793 3.287 0.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 28.756 4.425 5.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 30.077 3.845 1.039 1.00 0.00 H new ATOM 0 HH2 TRP A 86 30.553 4.401 3.389 1.00 0.00 H new ATOM 1331 N ARG A 87 25.462 5.064 -1.099 1.00 0.00 N ATOM 1332 CA ARG A 87 26.342 6.114 -1.596 1.00 0.00 C ATOM 1333 C ARG A 87 25.539 7.339 -2.025 1.00 0.00 C ATOM 1334 O ARG A 87 26.028 8.467 -1.963 1.00 0.00 O ATOM 1335 CB ARG A 87 27.173 5.598 -2.773 1.00 0.00 C ATOM 1336 CG ARG A 87 28.091 4.443 -2.410 1.00 0.00 C ATOM 1337 CD ARG A 87 29.273 4.911 -1.575 1.00 0.00 C ATOM 1338 NE ARG A 87 30.142 5.819 -2.318 1.00 0.00 N ATOM 1339 CZ ARG A 87 31.077 5.409 -3.169 1.00 0.00 C ATOM 1340 NH1 ARG A 87 31.261 4.114 -3.384 1.00 0.00 N ATOM 1341 NH2 ARG A 87 31.828 6.297 -3.808 1.00 0.00 N ATOM 0 H ARG A 87 25.413 4.238 -1.695 1.00 0.00 H new ATOM 0 HA ARG A 87 27.012 6.405 -0.787 1.00 0.00 H new ATOM 0 HB2 ARG A 87 26.501 5.280 -3.570 1.00 0.00 H new ATOM 0 HB3 ARG A 87 27.773 6.417 -3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 87 27.529 3.690 -1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 87 28.454 3.965 -3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 87 28.908 5.411 -0.678 1.00 0.00 H new ATOM 0 HD3 ARG A 87 29.849 4.046 -1.245 1.00 0.00 H new ATOM 0 HE ARG A 87 30.025 6.822 -2.176 1.00 0.00 H new ATOM 0 HH11 ARG A 87 30.684 3.429 -2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 87 31.979 3.803 -4.038 1.00 0.00 H new ATOM 0 HH21 ARG A 87 31.688 7.294 -3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 87 32.546 5.982 -4.461 1.00 0.00 H new ATOM 1355 N HIS A 88 24.305 7.108 -2.460 1.00 0.00 N ATOM 1356 CA HIS A 88 23.434 8.193 -2.899 1.00 0.00 C ATOM 1357 C HIS A 88 22.991 9.047 -1.715 1.00 0.00 C ATOM 1358 O HIS A 88 22.678 10.227 -1.873 1.00 0.00 O ATOM 1359 CB HIS A 88 22.210 7.631 -3.623 1.00 0.00 C ATOM 1360 CG HIS A 88 21.057 8.586 -3.681 1.00 0.00 C ATOM 1361 ND1 HIS A 88 20.963 9.595 -4.616 1.00 0.00 N ATOM 1362 CD2 HIS A 88 19.946 8.680 -2.914 1.00 0.00 C ATOM 1363 CE1 HIS A 88 19.845 10.270 -4.420 1.00 0.00 C ATOM 1364 NE2 HIS A 88 19.209 9.734 -3.394 1.00 0.00 N ATOM 0 H HIS A 88 23.885 6.180 -2.518 1.00 0.00 H new ATOM 0 HA HIS A 88 23.998 8.822 -3.588 1.00 0.00 H new ATOM 0 HB2 HIS A 88 22.494 7.355 -4.639 1.00 0.00 H new ATOM 0 HB3 HIS A 88 21.890 6.717 -3.122 1.00 0.00 H new ATOM 0 HD2 HIS A 88 19.687 8.044 -2.080 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.508 11.116 -5.000 1.00 0.00 H new ATOM 0 HE2 HIS A 88 18.315 10.052 -3.019 1.00 0.00 H new ATOM 1372 N GLN A 89 22.968 8.443 -0.531 1.00 0.00 N ATOM 1373 CA GLN A 89 22.562 9.149 0.678 1.00 0.00 C ATOM 1374 C GLN A 89 23.779 9.657 1.446 1.00 0.00 C ATOM 1375 O GLN A 89 23.663 10.533 2.303 1.00 0.00 O ATOM 1376 CB GLN A 89 21.726 8.233 1.573 1.00 0.00 C ATOM 1377 CG GLN A 89 20.404 7.814 0.949 1.00 0.00 C ATOM 1378 CD GLN A 89 19.342 7.505 1.986 1.00 0.00 C ATOM 1379 OE1 GLN A 89 19.055 8.322 2.861 1.00 0.00 O ATOM 1380 NE2 GLN A 89 18.752 6.319 1.892 1.00 0.00 N ATOM 0 H GLN A 89 23.226 7.467 -0.384 1.00 0.00 H new ATOM 0 HA GLN A 89 21.957 10.006 0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 89 22.306 7.341 1.808 1.00 0.00 H new ATOM 0 HB3 GLN A 89 21.528 8.742 2.516 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.047 8.609 0.295 1.00 0.00 H new ATOM 0 HG3 GLN A 89 20.564 6.935 0.325 1.00 0.00 H new ATOM 0 HE21 GLN A 89 19.021 5.673 1.150 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.029 6.054 2.561 1.00 0.00 H new ATOM 1389 N VAL A 90 24.945 9.101 1.133 1.00 0.00 N ATOM 1390 CA VAL A 90 26.183 9.498 1.792 1.00 0.00 C ATOM 1391 C VAL A 90 26.959 10.501 0.946 1.00 0.00 C ATOM 1392 O VAL A 90 27.722 11.311 1.471 1.00 0.00 O ATOM 1393 CB VAL A 90 27.081 8.281 2.079 1.00 0.00 C ATOM 1394 CG1 VAL A 90 28.428 8.728 2.628 1.00 0.00 C ATOM 1395 CG2 VAL A 90 26.393 7.327 3.045 1.00 0.00 C ATOM 0 H VAL A 90 25.058 8.374 0.427 1.00 0.00 H new ATOM 0 HA VAL A 90 25.903 9.964 2.737 1.00 0.00 H new ATOM 0 HB VAL A 90 27.255 7.751 1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 90 29.049 7.854 2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 90 28.924 9.369 1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 90 28.278 9.282 3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 90 27.042 6.473 3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 90 26.187 7.844 3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 90 25.456 6.980 2.609 1.00 0.00 H new ATOM 1405 N GLU A 91 26.758 10.440 -0.367 1.00 0.00 N ATOM 1406 CA GLU A 91 27.441 11.343 -1.286 1.00 0.00 C ATOM 1407 C GLU A 91 26.600 12.589 -1.549 1.00 0.00 C ATOM 1408 O GLU A 91 27.119 13.705 -1.589 1.00 0.00 O ATOM 1409 CB GLU A 91 27.743 10.631 -2.606 1.00 0.00 C ATOM 1410 CG GLU A 91 28.745 9.497 -2.470 1.00 0.00 C ATOM 1411 CD GLU A 91 29.536 9.262 -3.742 1.00 0.00 C ATOM 1412 OE1 GLU A 91 28.923 8.879 -4.761 1.00 0.00 O ATOM 1413 OE2 GLU A 91 30.769 9.460 -3.719 1.00 0.00 O ATOM 0 H GLU A 91 26.129 9.776 -0.817 1.00 0.00 H new ATOM 0 HA GLU A 91 28.379 11.649 -0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 91 26.814 10.236 -3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.125 11.358 -3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 91 29.433 9.721 -1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.218 8.582 -2.200 1.00 0.00 H new ATOM 1420 N VAL A 92 25.298 12.390 -1.729 1.00 0.00 N ATOM 1421 CA VAL A 92 24.384 13.497 -1.988 1.00 0.00 C ATOM 1422 C VAL A 92 23.884 14.112 -0.686 1.00 0.00 C ATOM 1423 O VAL A 92 24.196 15.261 -0.370 1.00 0.00 O ATOM 1424 CB VAL A 92 23.174 13.041 -2.825 1.00 0.00 C ATOM 1425 CG1 VAL A 92 22.342 14.239 -3.257 1.00 0.00 C ATOM 1426 CG2 VAL A 92 23.634 12.238 -4.032 1.00 0.00 C ATOM 0 H VAL A 92 24.852 11.473 -1.700 1.00 0.00 H new ATOM 0 HA VAL A 92 24.944 14.245 -2.549 1.00 0.00 H new ATOM 0 HB VAL A 92 22.548 12.398 -2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 92 21.492 13.898 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 92 21.982 14.769 -2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 92 22.955 14.910 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 92 22.766 11.924 -4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 92 24.282 12.855 -4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 92 24.184 11.359 -3.696 1.00 0.00 H new ATOM 1436 N HIS A 93 23.107 13.341 0.067 1.00 0.00 N ATOM 1437 CA HIS A 93 22.564 13.810 1.337 1.00 0.00 C ATOM 1438 C HIS A 93 23.647 13.845 2.411 1.00 0.00 C ATOM 1439 O HIS A 93 23.603 14.669 3.324 1.00 0.00 O ATOM 1440 CB HIS A 93 21.412 12.911 1.787 1.00 0.00 C ATOM 1441 CG HIS A 93 20.235 12.938 0.861 1.00 0.00 C ATOM 1442 ND1 HIS A 93 19.266 13.918 0.903 1.00 0.00 N ATOM 1443 CD2 HIS A 93 19.875 12.098 -0.137 1.00 0.00 C ATOM 1444 CE1 HIS A 93 18.360 13.679 -0.028 1.00 0.00 C ATOM 1445 NE2 HIS A 93 18.706 12.580 -0.674 1.00 0.00 N ATOM 0 H HIS A 93 22.839 12.388 -0.180 1.00 0.00 H new ATOM 0 HA HIS A 93 22.188 14.823 1.191 1.00 0.00 H new ATOM 0 HB2 HIS A 93 21.774 11.886 1.872 1.00 0.00 H new ATOM 0 HB3 HIS A 93 21.089 13.219 2.781 1.00 0.00 H new ATOM 0 HD2 HIS A 93 20.408 11.213 -0.453 1.00 0.00 H new ATOM 0 HE1 HIS A 93 17.485 14.280 -0.227 1.00 0.00 H new ATOM 0 HE2 HIS A 93 18.189 12.158 -1.446 1.00 0.00 H new ATOM 1453 N ASN A 94 24.618 12.944 2.296 1.00 0.00 N ATOM 1454 CA ASN A 94 25.711 12.871 3.258 1.00 0.00 C ATOM 1455 C ASN A 94 25.180 12.633 4.668 1.00 0.00 C ATOM 1456 O ASN A 94 25.511 13.367 5.598 1.00 0.00 O ATOM 1457 CB ASN A 94 26.536 14.160 3.223 1.00 0.00 C ATOM 1458 CG ASN A 94 26.661 14.728 1.822 1.00 0.00 C ATOM 1459 OD1 ASN A 94 25.896 15.607 1.427 1.00 0.00 O ATOM 1460 ND2 ASN A 94 27.630 14.227 1.065 1.00 0.00 N ATOM 0 H ASN A 94 24.670 12.255 1.546 1.00 0.00 H new ATOM 0 HA ASN A 94 26.349 12.031 2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 94 26.073 14.902 3.873 1.00 0.00 H new ATOM 0 HB3 ASN A 94 27.531 13.963 3.622 1.00 0.00 H new ATOM 0 HD21 ASN A 94 27.763 14.571 0.114 1.00 0.00 H new ATOM 0 HD22 ASN A 94 28.241 13.499 1.435 1.00 0.00 H new ATOM 1467 N GLN A 95 24.356 11.600 4.817 1.00 0.00 N ATOM 1468 CA GLN A 95 23.780 11.265 6.114 1.00 0.00 C ATOM 1469 C GLN A 95 24.489 10.064 6.731 1.00 0.00 C ATOM 1470 O GLN A 95 25.287 10.211 7.655 1.00 0.00 O ATOM 1471 CB GLN A 95 22.285 10.971 5.970 1.00 0.00 C ATOM 1472 CG GLN A 95 21.400 12.180 6.226 1.00 0.00 C ATOM 1473 CD GLN A 95 20.043 11.802 6.785 1.00 0.00 C ATOM 1474 OE1 GLN A 95 19.677 12.210 7.888 1.00 0.00 O ATOM 1475 NE2 GLN A 95 19.287 11.019 6.025 1.00 0.00 N ATOM 0 H GLN A 95 24.073 10.982 4.057 1.00 0.00 H new ATOM 0 HA GLN A 95 23.914 12.121 6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 95 22.092 10.596 4.965 1.00 0.00 H new ATOM 0 HB3 GLN A 95 22.011 10.177 6.664 1.00 0.00 H new ATOM 0 HG2 GLN A 95 21.902 12.851 6.923 1.00 0.00 H new ATOM 0 HG3 GLN A 95 21.265 12.730 5.295 1.00 0.00 H new ATOM 0 HE21 GLN A 95 19.630 10.704 5.117 1.00 0.00 H new ATOM 0 HE22 GLN A 95 18.363 10.732 6.349 1.00 0.00 H new ATOM 1484 N ASN A 96 24.192 8.877 6.213 1.00 0.00 N ATOM 1485 CA ASN A 96 24.801 7.650 6.714 1.00 0.00 C ATOM 1486 C ASN A 96 26.297 7.840 6.944 1.00 0.00 C ATOM 1487 O ASN A 96 27.107 7.617 6.046 1.00 0.00 O ATOM 1488 CB ASN A 96 24.567 6.501 5.731 1.00 0.00 C ATOM 1489 CG ASN A 96 23.278 5.753 6.012 1.00 0.00 C ATOM 1490 OD1 ASN A 96 22.390 5.682 5.162 1.00 0.00 O ATOM 1491 ND2 ASN A 96 23.169 5.191 7.210 1.00 0.00 N ATOM 0 H ASN A 96 23.533 8.738 5.447 1.00 0.00 H new ATOM 0 HA ASN A 96 24.333 7.405 7.667 1.00 0.00 H new ATOM 0 HB2 ASN A 96 24.541 6.895 4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 96 25.405 5.806 5.782 1.00 0.00 H new ATOM 0 HD21 ASN A 96 22.324 4.675 7.456 1.00 0.00 H new ATOM 0 HD22 ASN A 96 23.930 5.275 7.884 1.00 0.00 H new