USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 629 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 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 14 SER OG : rot -129:sc= 1.33 USER MOD Set 2.2: A 16 SER OG : rot 180:sc= 1.12 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.2) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 19:sc= 0.511 USER MOD Single : A 18 ASN : amide:sc= -0.728! C(o=-0.73!,f=-12!) USER MOD Single : A 20 GLN : amide:sc= -0.0564 X(o=-0.056,f=-0.11) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 1.2 (180deg=1.2) USER MOD Single : A 26 TYR OH : rot 40:sc= 0.638 USER MOD Single : A 28 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.23) USER MOD Single : A 34 HIS : no HD1:sc= 0.579 K(o=0.58,f=-7.1!) USER MOD Single : A 37 LYS NZ :NH3+ 162:sc= 0.829 (180deg=0.618) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.21) USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= 1.03 (180deg=0.966) USER MOD Single : A 49 SER OG : rot 49:sc= 1.26 USER MOD Single : A 56 ASN : amide:sc=-0.00373 X(o=-0.0037,f=-0.0021) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 60 LYS NZ :NH3+ -145:sc=0.000615 (180deg=-0.0023) USER MOD Single : A 64 TYR OH : rot -32:sc= -0.103 USER MOD Single : A 66 GLN : amide:sc= 0.306 K(o=0.31,f=-0.44) USER MOD Single : A 67 TYR OH : rot -153:sc= 0.379 USER MOD Single : A 74 SER OG : rot -40:sc= 1.22 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.555 -15.536 -4.920 1.00 0.00 N ATOM 2 CA SER A 1 -5.642 -15.301 -6.032 1.00 0.00 C ATOM 3 C SER A 1 -5.211 -13.841 -6.092 1.00 0.00 C ATOM 4 O SER A 1 -6.033 -12.935 -5.947 1.00 0.00 O ATOM 5 CB SER A 1 -6.297 -15.698 -7.339 1.00 0.00 C ATOM 6 OG SER A 1 -5.476 -15.382 -8.429 1.00 0.00 O ATOM 0 H1 SER A 1 -6.832 -16.538 -4.904 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.083 -15.293 -4.026 1.00 0.00 H new ATOM 0 H3 SER A 1 -7.403 -14.945 -5.036 1.00 0.00 H new ATOM 0 HA SER A 1 -4.754 -15.913 -5.873 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.506 -16.768 -7.335 1.00 0.00 H new ATOM 0 HB3 SER A 1 -7.254 -15.187 -7.440 1.00 0.00 H new ATOM 0 HG SER A 1 -5.920 -15.649 -9.261 1.00 0.00 H new ATOM 11 N VAL A 2 -3.919 -13.618 -6.305 1.00 0.00 N ATOM 12 CA VAL A 2 -3.378 -12.266 -6.388 1.00 0.00 C ATOM 13 C VAL A 2 -2.837 -11.974 -7.783 1.00 0.00 C ATOM 14 O VAL A 2 -1.769 -12.457 -8.158 1.00 0.00 O ATOM 15 CB VAL A 2 -2.252 -12.077 -5.354 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.693 -10.665 -5.428 1.00 0.00 C ATOM 17 CG2 VAL A 2 -2.778 -12.376 -3.958 1.00 0.00 C ATOM 0 H VAL A 2 -3.226 -14.357 -6.423 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.190 -11.570 -6.176 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.443 -12.772 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.899 -10.549 -4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.292 -10.484 -6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.487 -9.948 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.977 -12.241 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.598 -11.697 -3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.136 -13.405 -3.917 1.00 0.00 H new ATOM 27 N LYS A 3 -3.580 -11.181 -8.545 1.00 0.00 N ATOM 28 CA LYS A 3 -3.196 -10.852 -9.913 1.00 0.00 C ATOM 29 C LYS A 3 -1.955 -9.969 -9.939 1.00 0.00 C ATOM 30 O LYS A 3 -0.941 -10.324 -10.539 1.00 0.00 O ATOM 31 CB LYS A 3 -4.349 -10.162 -10.643 1.00 0.00 C ATOM 32 CG LYS A 3 -4.067 -9.841 -12.105 1.00 0.00 C ATOM 33 CD LYS A 3 -5.289 -9.247 -12.787 1.00 0.00 C ATOM 34 CE LYS A 3 -5.011 -8.938 -14.251 1.00 0.00 C ATOM 35 NZ LYS A 3 -6.223 -8.433 -14.951 1.00 0.00 N ATOM 0 H LYS A 3 -4.454 -10.753 -8.239 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.961 -11.784 -10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.231 -10.800 -10.587 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.591 -9.236 -10.121 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.235 -9.140 -12.171 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.762 -10.748 -12.626 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.124 -9.944 -12.713 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.588 -8.335 -12.271 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.216 -8.196 -14.321 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.652 -9.838 -14.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.969 -8.139 -15.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.938 -9.187 -14.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.610 -7.620 -14.432 1.00 0.00 H new ATOM 49 N GLU A 4 -2.042 -8.816 -9.285 1.00 0.00 N ATOM 50 CA GLU A 4 -0.937 -7.864 -9.257 1.00 0.00 C ATOM 51 C GLU A 4 -0.427 -7.653 -7.838 1.00 0.00 C ATOM 52 O GLU A 4 -1.192 -7.713 -6.877 1.00 0.00 O ATOM 53 CB GLU A 4 -1.372 -6.526 -9.859 1.00 0.00 C ATOM 54 CG GLU A 4 -1.723 -6.585 -11.338 1.00 0.00 C ATOM 55 CD GLU A 4 -2.127 -5.250 -11.898 1.00 0.00 C ATOM 56 OE1 GLU A 4 -2.306 -4.334 -11.130 1.00 0.00 O ATOM 57 OE2 GLU A 4 -2.256 -5.144 -13.095 1.00 0.00 O ATOM 0 H GLU A 4 -2.868 -8.517 -8.766 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.125 -8.278 -9.854 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.237 -6.158 -9.307 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.571 -5.800 -9.717 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.865 -6.962 -11.895 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.536 -7.296 -11.485 1.00 0.00 H new ATOM 64 N THR A 5 0.873 -7.405 -7.714 1.00 0.00 N ATOM 65 CA THR A 5 1.495 -7.215 -6.409 1.00 0.00 C ATOM 66 C THR A 5 2.195 -5.866 -6.323 1.00 0.00 C ATOM 67 O THR A 5 2.938 -5.598 -5.378 1.00 0.00 O ATOM 68 CB THR A 5 2.503 -8.340 -6.105 1.00 0.00 C ATOM 69 OG1 THR A 5 3.516 -8.363 -7.118 1.00 0.00 O ATOM 70 CG2 THR A 5 1.800 -9.689 -6.068 1.00 0.00 C ATOM 0 H THR A 5 1.516 -7.331 -8.502 1.00 0.00 H new ATOM 0 HA THR A 5 0.698 -7.245 -5.666 1.00 0.00 H new ATOM 0 HB THR A 5 2.955 -8.149 -5.132 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.158 -9.078 -6.923 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.527 -10.472 -5.852 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.035 -9.680 -5.291 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.334 -9.883 -7.034 1.00 0.00 H new ATOM 78 N LYS A 6 1.953 -5.016 -7.316 1.00 0.00 N ATOM 79 CA LYS A 6 2.635 -3.730 -7.406 1.00 0.00 C ATOM 80 C LYS A 6 2.423 -2.904 -6.144 1.00 0.00 C ATOM 81 O LYS A 6 3.378 -2.394 -5.556 1.00 0.00 O ATOM 82 CB LYS A 6 2.151 -2.952 -8.631 1.00 0.00 C ATOM 83 CG LYS A 6 2.811 -1.592 -8.815 1.00 0.00 C ATOM 84 CD LYS A 6 2.318 -0.903 -10.078 1.00 0.00 C ATOM 85 CE LYS A 6 2.943 0.474 -10.238 1.00 0.00 C ATOM 86 NZ LYS A 6 2.494 1.147 -11.489 1.00 0.00 N ATOM 0 H LYS A 6 1.289 -5.195 -8.070 1.00 0.00 H new ATOM 0 HA LYS A 6 3.702 -3.926 -7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.331 -3.553 -9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.073 -2.811 -8.554 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.600 -0.963 -7.950 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.893 -1.714 -8.864 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.558 -1.516 -10.946 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.233 -0.810 -10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.682 1.093 -9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.029 0.381 -10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.943 2.083 -11.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.765 0.570 -12.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.460 1.259 -11.471 1.00 0.00 H new ATOM 100 N LEU A 7 1.167 -2.774 -5.732 1.00 0.00 N ATOM 101 CA LEU A 7 0.821 -1.962 -4.571 1.00 0.00 C ATOM 102 C LEU A 7 1.370 -2.573 -3.288 1.00 0.00 C ATOM 103 O LEU A 7 1.735 -1.858 -2.354 1.00 0.00 O ATOM 104 CB LEU A 7 -0.701 -1.811 -4.464 1.00 0.00 C ATOM 105 CG LEU A 7 -1.380 -1.066 -5.621 1.00 0.00 C ATOM 106 CD1 LEU A 7 -2.880 -0.998 -5.372 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.782 0.327 -5.748 1.00 0.00 C ATOM 0 H LEU A 7 0.370 -3.221 -6.185 1.00 0.00 H new ATOM 0 HA LEU A 7 1.273 -0.979 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.142 -2.805 -4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.931 -1.289 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.212 -1.599 -6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.362 -0.469 -6.194 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.284 -2.008 -5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.070 -0.468 -4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.264 0.856 -6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.940 0.877 -4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.287 0.247 -5.945 1.00 0.00 H new ATOM 119 N TYR A 8 1.423 -3.899 -3.247 1.00 0.00 N ATOM 120 CA TYR A 8 1.975 -4.608 -2.099 1.00 0.00 C ATOM 121 C TYR A 8 3.478 -4.390 -1.985 1.00 0.00 C ATOM 122 O TYR A 8 4.019 -4.288 -0.885 1.00 0.00 O ATOM 123 CB TYR A 8 1.661 -6.105 -2.192 1.00 0.00 C ATOM 124 CG TYR A 8 0.202 -6.437 -1.979 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.628 -6.647 -3.070 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.308 -6.530 -0.692 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.962 -6.951 -2.875 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.641 -6.834 -0.498 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.466 -7.043 -1.583 1.00 0.00 C ATOM 130 OH TYR A 8 -3.795 -7.345 -1.390 1.00 0.00 O ATOM 0 H TYR A 8 1.090 -4.506 -3.996 1.00 0.00 H new ATOM 0 HA TYR A 8 1.507 -4.205 -1.201 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.968 -6.471 -3.172 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.257 -6.638 -1.452 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.232 -6.573 -4.072 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.337 -6.365 0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.610 -7.116 -3.723 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.038 -6.908 0.504 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.160 -7.750 -2.204 1.00 0.00 H new ATOM 140 N ASP A 9 4.149 -4.320 -3.131 1.00 0.00 N ATOM 141 CA ASP A 9 5.585 -4.075 -3.164 1.00 0.00 C ATOM 142 C ASP A 9 5.910 -2.646 -2.753 1.00 0.00 C ATOM 143 O ASP A 9 6.916 -2.395 -2.088 1.00 0.00 O ATOM 144 CB ASP A 9 6.144 -4.350 -4.562 1.00 0.00 C ATOM 145 CG ASP A 9 6.177 -5.832 -4.907 1.00 0.00 C ATOM 146 OD1 ASP A 9 6.076 -6.634 -4.008 1.00 0.00 O ATOM 147 OD2 ASP A 9 6.301 -6.151 -6.066 1.00 0.00 O ATOM 0 H ASP A 9 3.719 -4.430 -4.050 1.00 0.00 H new ATOM 0 HA ASP A 9 6.052 -4.754 -2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.538 -3.824 -5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.153 -3.944 -4.630 1.00 0.00 H new ATOM 152 N LEU A 10 5.055 -1.711 -3.152 1.00 0.00 N ATOM 153 CA LEU A 10 5.210 -0.314 -2.764 1.00 0.00 C ATOM 154 C LEU A 10 5.102 -0.146 -1.253 1.00 0.00 C ATOM 155 O LEU A 10 5.846 0.626 -0.652 1.00 0.00 O ATOM 156 CB LEU A 10 4.148 0.549 -3.457 1.00 0.00 C ATOM 157 CG LEU A 10 4.327 0.737 -4.970 1.00 0.00 C ATOM 158 CD1 LEU A 10 3.103 1.438 -5.543 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.592 1.542 -5.234 1.00 0.00 C ATOM 0 H LEU A 10 4.246 -1.896 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 10 6.202 0.012 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.170 0.102 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.141 1.532 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 10 4.427 -0.233 -5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.230 1.572 -6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.216 0.833 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.986 2.412 -5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.720 1.676 -6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.510 2.517 -4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.453 1.010 -4.829 1.00 0.00 H new ATOM 171 N LEU A 11 4.172 -0.876 -0.647 1.00 0.00 N ATOM 172 CA LEU A 11 3.978 -0.824 0.796 1.00 0.00 C ATOM 173 C LEU A 11 5.008 -1.681 1.522 1.00 0.00 C ATOM 174 O LEU A 11 5.373 -1.398 2.663 1.00 0.00 O ATOM 175 CB LEU A 11 2.564 -1.296 1.160 1.00 0.00 C ATOM 176 CG LEU A 11 1.420 -0.389 0.690 1.00 0.00 C ATOM 177 CD1 LEU A 11 0.091 -1.110 0.877 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.450 0.915 1.473 1.00 0.00 C ATOM 0 H LEU A 11 3.540 -1.511 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 11 4.107 0.211 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.412 -2.290 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.502 -1.397 2.244 1.00 0.00 H new ATOM 0 HG LEU A 11 1.540 -0.156 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.723 -0.466 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.090 -2.029 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.047 -1.352 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.637 1.559 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.332 0.704 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.403 1.418 1.306 1.00 0.00 H new ATOM 190 N GLY A 12 5.473 -2.729 0.853 1.00 0.00 N ATOM 191 CA GLY A 12 6.477 -3.620 1.423 1.00 0.00 C ATOM 192 C GLY A 12 5.838 -4.655 2.340 1.00 0.00 C ATOM 193 O GLY A 12 6.348 -4.937 3.426 1.00 0.00 O ATOM 0 H GLY A 12 5.170 -2.983 -0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.017 -4.124 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.209 -3.037 1.982 1.00 0.00 H new ATOM 197 N VAL A 13 4.718 -5.219 1.899 1.00 0.00 N ATOM 198 CA VAL A 13 4.022 -6.244 2.666 1.00 0.00 C ATOM 199 C VAL A 13 3.394 -7.287 1.750 1.00 0.00 C ATOM 200 O VAL A 13 2.779 -6.950 0.740 1.00 0.00 O ATOM 201 CB VAL A 13 2.924 -5.604 3.539 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.892 -4.903 2.666 1.00 0.00 C ATOM 203 CG2 VAL A 13 2.265 -6.668 4.404 1.00 0.00 C ATOM 0 H VAL A 13 4.273 -4.982 1.012 1.00 0.00 H new ATOM 0 HA VAL A 13 4.756 -6.737 3.303 1.00 0.00 H new ATOM 0 HB VAL A 13 3.379 -4.858 4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.124 -4.457 3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.380 -4.123 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.433 -5.627 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.490 -6.209 5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.818 -7.430 3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.014 -7.128 5.049 1.00 0.00 H new ATOM 213 N SER A 14 3.556 -8.556 2.110 1.00 0.00 N ATOM 214 CA SER A 14 3.056 -9.654 1.292 1.00 0.00 C ATOM 215 C SER A 14 1.532 -9.705 1.312 1.00 0.00 C ATOM 216 O SER A 14 0.907 -9.452 2.341 1.00 0.00 O ATOM 217 CB SER A 14 3.621 -10.972 1.785 1.00 0.00 C ATOM 218 OG SER A 14 3.070 -12.050 1.079 1.00 0.00 O ATOM 0 H SER A 14 4.030 -8.849 2.964 1.00 0.00 H new ATOM 0 HA SER A 14 3.380 -9.484 0.265 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.705 -10.973 1.670 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.414 -11.085 2.849 1.00 0.00 H new ATOM 0 HG SER A 14 2.730 -12.716 1.712 1.00 0.00 H new ATOM 224 N PRO A 15 0.943 -10.035 0.168 1.00 0.00 N ATOM 225 CA PRO A 15 -0.504 -10.194 0.070 1.00 0.00 C ATOM 226 C PRO A 15 -0.974 -11.429 0.825 1.00 0.00 C ATOM 227 O PRO A 15 -2.167 -11.597 1.077 1.00 0.00 O ATOM 228 CB PRO A 15 -0.734 -10.332 -1.438 1.00 0.00 C ATOM 229 CG PRO A 15 0.536 -10.922 -1.949 1.00 0.00 C ATOM 230 CD PRO A 15 1.612 -10.270 -1.122 1.00 0.00 C ATOM 0 HA PRO A 15 -1.060 -9.366 0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.587 -10.975 -1.654 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.939 -9.366 -1.900 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.546 -12.006 -1.831 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.671 -10.715 -3.011 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.484 -10.915 -1.013 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.959 -9.340 -1.572 1.00 0.00 H new ATOM 238 N SER A 16 -0.031 -12.292 1.185 1.00 0.00 N ATOM 239 CA SER A 16 -0.338 -13.477 1.978 1.00 0.00 C ATOM 240 C SER A 16 -0.522 -13.125 3.449 1.00 0.00 C ATOM 241 O SER A 16 -0.990 -13.943 4.239 1.00 0.00 O ATOM 242 CB SER A 16 0.767 -14.505 1.830 1.00 0.00 C ATOM 243 OG SER A 16 1.949 -14.062 2.437 1.00 0.00 O ATOM 0 H SER A 16 0.954 -12.193 0.940 1.00 0.00 H new ATOM 0 HA SER A 16 -1.274 -13.895 1.607 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.454 -15.448 2.279 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.948 -14.700 0.773 1.00 0.00 H new ATOM 0 HG SER A 16 2.647 -14.742 2.330 1.00 0.00 H new ATOM 249 N ALA A 17 -0.153 -11.900 3.809 1.00 0.00 N ATOM 250 CA ALA A 17 -0.298 -11.428 5.180 1.00 0.00 C ATOM 251 C ALA A 17 -1.765 -11.219 5.537 1.00 0.00 C ATOM 252 O ALA A 17 -2.582 -10.896 4.677 1.00 0.00 O ATOM 253 CB ALA A 17 0.484 -10.138 5.383 1.00 0.00 C ATOM 0 H ALA A 17 0.249 -11.216 3.169 1.00 0.00 H new ATOM 0 HA ALA A 17 0.106 -12.193 5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.365 -9.799 6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.540 -10.317 5.179 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.108 -9.374 4.703 1.00 0.00 H new ATOM 259 N ASN A 18 -2.089 -11.407 6.811 1.00 0.00 N ATOM 260 CA ASN A 18 -3.453 -11.211 7.291 1.00 0.00 C ATOM 261 C ASN A 18 -3.752 -9.733 7.510 1.00 0.00 C ATOM 262 O ASN A 18 -2.901 -8.876 7.276 1.00 0.00 O ATOM 263 CB ASN A 18 -3.688 -11.998 8.567 1.00 0.00 C ATOM 264 CG ASN A 18 -2.898 -11.463 9.731 1.00 0.00 C ATOM 265 OD1 ASN A 18 -2.699 -10.249 9.856 1.00 0.00 O ATOM 266 ND2 ASN A 18 -2.444 -12.346 10.582 1.00 0.00 N ATOM 0 H ASN A 18 -1.426 -11.695 7.531 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.135 -11.581 6.525 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.750 -11.976 8.813 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.421 -13.042 8.400 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.900 -12.043 11.390 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.633 -13.338 10.438 1.00 0.00 H new ATOM 273 N GLU A 19 -4.969 -9.441 7.958 1.00 0.00 N ATOM 274 CA GLU A 19 -5.463 -8.069 7.998 1.00 0.00 C ATOM 275 C GLU A 19 -4.604 -7.201 8.907 1.00 0.00 C ATOM 276 O GLU A 19 -4.255 -6.073 8.557 1.00 0.00 O ATOM 277 CB GLU A 19 -6.917 -8.040 8.471 1.00 0.00 C ATOM 278 CG GLU A 19 -7.604 -6.691 8.306 1.00 0.00 C ATOM 279 CD GLU A 19 -7.850 -6.333 6.867 1.00 0.00 C ATOM 280 OE1 GLU A 19 -7.993 -7.227 6.067 1.00 0.00 O ATOM 281 OE2 GLU A 19 -7.895 -5.163 6.567 1.00 0.00 O ATOM 0 H GLU A 19 -5.632 -10.137 8.299 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.408 -7.665 6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.481 -8.792 7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.950 -8.325 9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.554 -6.705 8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.991 -5.917 8.768 1.00 0.00 H new ATOM 288 N GLN A 20 -4.266 -7.731 10.078 1.00 0.00 N ATOM 289 CA GLN A 20 -3.486 -6.987 11.060 1.00 0.00 C ATOM 290 C GLN A 20 -2.062 -6.755 10.570 1.00 0.00 C ATOM 291 O GLN A 20 -1.489 -5.688 10.783 1.00 0.00 O ATOM 292 CB GLN A 20 -3.465 -7.728 12.400 1.00 0.00 C ATOM 293 CG GLN A 20 -2.770 -6.971 13.519 1.00 0.00 C ATOM 294 CD GLN A 20 -3.466 -5.664 13.852 1.00 0.00 C ATOM 295 OE1 GLN A 20 -4.685 -5.626 14.048 1.00 0.00 O ATOM 296 NE2 GLN A 20 -2.696 -4.585 13.917 1.00 0.00 N ATOM 0 H GLN A 20 -4.521 -8.675 10.370 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.963 -6.016 11.198 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.491 -7.939 12.702 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.969 -8.689 12.263 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.734 -7.598 14.410 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.739 -6.767 13.230 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.693 -4.663 13.748 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.107 -3.678 14.136 1.00 0.00 H new ATOM 305 N GLU A 21 -1.495 -7.763 9.915 1.00 0.00 N ATOM 306 CA GLU A 21 -0.143 -7.666 9.381 1.00 0.00 C ATOM 307 C GLU A 21 -0.083 -6.702 8.203 1.00 0.00 C ATOM 308 O GLU A 21 0.922 -6.023 7.994 1.00 0.00 O ATOM 309 CB GLU A 21 0.362 -9.044 8.952 1.00 0.00 C ATOM 310 CG GLU A 21 0.630 -10.004 10.104 1.00 0.00 C ATOM 311 CD GLU A 21 1.695 -9.509 11.041 1.00 0.00 C ATOM 312 OE1 GLU A 21 2.725 -9.088 10.570 1.00 0.00 O ATOM 313 OE2 GLU A 21 1.479 -9.553 12.230 1.00 0.00 O ATOM 0 H GLU A 21 -1.953 -8.658 9.741 1.00 0.00 H new ATOM 0 HA GLU A 21 0.500 -7.280 10.172 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.372 -9.494 8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.281 -8.918 8.379 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.293 -10.161 10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.928 -10.972 9.702 1.00 0.00 H new ATOM 320 N LEU A 22 -1.167 -6.647 7.435 1.00 0.00 N ATOM 321 CA LEU A 22 -1.299 -5.663 6.369 1.00 0.00 C ATOM 322 C LEU A 22 -1.335 -4.247 6.926 1.00 0.00 C ATOM 323 O LEU A 22 -0.723 -3.334 6.371 1.00 0.00 O ATOM 324 CB LEU A 22 -2.573 -5.931 5.556 1.00 0.00 C ATOM 325 CG LEU A 22 -2.538 -7.170 4.653 1.00 0.00 C ATOM 326 CD1 LEU A 22 -3.928 -7.429 4.089 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.527 -6.957 3.536 1.00 0.00 C ATOM 0 H LEU A 22 -1.966 -7.273 7.532 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.428 -5.755 5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.409 -6.032 6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.776 -5.058 4.936 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.234 -8.042 5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.902 -8.310 3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.627 -7.597 4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.251 -6.566 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.503 -7.838 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.814 -6.087 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.539 -6.794 3.966 1.00 0.00 H new ATOM 339 N LYS A 23 -2.056 -4.068 8.030 1.00 0.00 N ATOM 340 CA LYS A 23 -2.109 -2.780 8.709 1.00 0.00 C ATOM 341 C LYS A 23 -0.723 -2.340 9.165 1.00 0.00 C ATOM 342 O LYS A 23 -0.383 -1.159 9.094 1.00 0.00 O ATOM 343 CB LYS A 23 -3.061 -2.845 9.905 1.00 0.00 C ATOM 344 CG LYS A 23 -4.535 -2.913 9.532 1.00 0.00 C ATOM 345 CD LYS A 23 -5.416 -2.975 10.772 1.00 0.00 C ATOM 346 CE LYS A 23 -6.891 -3.016 10.403 1.00 0.00 C ATOM 347 NZ LYS A 23 -7.765 -3.087 11.604 1.00 0.00 N ATOM 0 H LYS A 23 -2.611 -4.800 8.472 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.483 -2.043 7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.810 -3.719 10.506 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.897 -1.969 10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.802 -2.040 8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.715 -3.790 8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.161 -3.858 11.358 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.221 -2.108 11.403 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.144 -2.129 9.823 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.081 -3.879 9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.761 -3.113 11.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.542 -3.947 12.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.603 -2.251 12.201 1.00 0.00 H new ATOM 361 N LYS A 24 0.071 -3.296 9.633 1.00 0.00 N ATOM 362 CA LYS A 24 1.462 -3.033 9.986 1.00 0.00 C ATOM 363 C LYS A 24 2.251 -2.536 8.782 1.00 0.00 C ATOM 364 O LYS A 24 3.062 -1.618 8.895 1.00 0.00 O ATOM 365 CB LYS A 24 2.115 -4.289 10.563 1.00 0.00 C ATOM 366 CG LYS A 24 1.597 -4.693 11.937 1.00 0.00 C ATOM 367 CD LYS A 24 2.256 -5.977 12.420 1.00 0.00 C ATOM 368 CE LYS A 24 1.686 -6.423 13.758 1.00 0.00 C ATOM 369 NZ LYS A 24 2.275 -7.712 14.213 1.00 0.00 N ATOM 0 H LYS A 24 -0.225 -4.262 9.777 1.00 0.00 H new ATOM 0 HA LYS A 24 1.471 -2.251 10.745 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.957 -5.116 9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.191 -4.128 10.627 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.790 -3.892 12.651 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.516 -4.830 11.895 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.110 -6.764 11.680 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.331 -5.823 12.514 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.875 -5.654 14.507 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.604 -6.528 13.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.885 -7.963 15.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.045 -8.460 13.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.308 -7.615 14.285 1.00 0.00 H new ATOM 383 N GLY A 25 2.009 -3.151 7.629 1.00 0.00 N ATOM 384 CA GLY A 25 2.639 -2.722 6.385 1.00 0.00 C ATOM 385 C GLY A 25 2.165 -1.333 5.979 1.00 0.00 C ATOM 386 O GLY A 25 2.945 -0.522 5.480 1.00 0.00 O ATOM 0 H GLY A 25 1.381 -3.949 7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.722 -2.719 6.505 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.408 -3.434 5.593 1.00 0.00 H new ATOM 390 N TYR A 26 0.881 -1.062 6.196 1.00 0.00 N ATOM 391 CA TYR A 26 0.308 0.240 5.878 1.00 0.00 C ATOM 392 C TYR A 26 0.982 1.348 6.677 1.00 0.00 C ATOM 393 O TYR A 26 1.316 2.402 6.136 1.00 0.00 O ATOM 394 CB TYR A 26 -1.199 0.238 6.140 1.00 0.00 C ATOM 395 CG TYR A 26 -1.966 -0.747 5.287 1.00 0.00 C ATOM 396 CD1 TYR A 26 -3.295 -1.024 5.572 1.00 0.00 C ATOM 397 CD2 TYR A 26 -1.341 -1.373 4.219 1.00 0.00 C ATOM 398 CE1 TYR A 26 -3.996 -1.924 4.791 1.00 0.00 C ATOM 399 CE2 TYR A 26 -2.041 -2.273 3.439 1.00 0.00 C ATOM 400 CZ TYR A 26 -3.363 -2.548 3.724 1.00 0.00 C ATOM 401 OH TYR A 26 -4.060 -3.445 2.945 1.00 0.00 O ATOM 0 H TYR A 26 0.218 -1.728 6.591 1.00 0.00 H new ATOM 0 HA TYR A 26 0.481 0.434 4.819 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.375 0.008 7.191 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.590 1.240 5.963 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.782 -0.537 6.404 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.306 -1.157 3.997 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.031 -2.141 5.010 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.554 -2.761 2.607 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.971 -3.114 2.800 1.00 0.00 H new ATOM 411 N ARG A 27 1.180 1.103 7.968 1.00 0.00 N ATOM 412 CA ARG A 27 1.766 2.101 8.855 1.00 0.00 C ATOM 413 C ARG A 27 3.272 2.205 8.650 1.00 0.00 C ATOM 414 O ARG A 27 3.843 3.294 8.711 1.00 0.00 O ATOM 415 CB ARG A 27 1.478 1.759 10.309 1.00 0.00 C ATOM 416 CG ARG A 27 0.019 1.881 10.718 1.00 0.00 C ATOM 417 CD ARG A 27 -0.206 1.394 12.103 1.00 0.00 C ATOM 418 NE ARG A 27 -1.601 1.505 12.498 1.00 0.00 N ATOM 419 CZ ARG A 27 -2.095 1.106 13.686 1.00 0.00 C ATOM 420 NH1 ARG A 27 -1.295 0.572 14.584 1.00 0.00 N ATOM 421 NH2 ARG A 27 -3.382 1.250 13.950 1.00 0.00 N ATOM 0 H ARG A 27 0.943 0.222 8.423 1.00 0.00 H new ATOM 0 HA ARG A 27 1.312 3.062 8.612 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.810 0.738 10.500 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.075 2.412 10.946 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.294 2.922 10.643 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.602 1.311 10.027 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.111 0.354 12.178 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.413 1.966 12.794 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.252 1.914 11.828 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.302 0.461 14.380 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.668 0.270 15.484 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.002 1.664 13.254 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.755 0.948 14.850 1.00 0.00 H new ATOM 435 N LYS A 28 3.910 1.066 8.406 1.00 0.00 N ATOM 436 CA LYS A 28 5.343 1.034 8.136 1.00 0.00 C ATOM 437 C LYS A 28 5.704 1.941 6.968 1.00 0.00 C ATOM 438 O LYS A 28 6.547 2.829 7.097 1.00 0.00 O ATOM 439 CB LYS A 28 5.802 -0.398 7.850 1.00 0.00 C ATOM 440 CG LYS A 28 7.287 -0.533 7.542 1.00 0.00 C ATOM 441 CD LYS A 28 7.675 -1.987 7.320 1.00 0.00 C ATOM 442 CE LYS A 28 7.120 -2.512 6.004 1.00 0.00 C ATOM 443 NZ LYS A 28 7.635 -3.872 5.686 1.00 0.00 N ATOM 0 H LYS A 28 3.458 0.152 8.390 1.00 0.00 H new ATOM 0 HA LYS A 28 5.857 1.401 9.024 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.564 -1.022 8.712 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.232 -0.788 7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.531 0.050 6.654 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.870 -0.120 8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.761 -2.080 7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.301 -2.595 8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.031 -2.539 6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.385 -1.826 5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.133 -4.248 4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.653 -3.818 5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.480 -4.501 6.500 1.00 0.00 H new ATOM 457 N ALA A 29 5.062 1.715 5.827 1.00 0.00 N ATOM 458 CA ALA A 29 5.349 2.481 4.621 1.00 0.00 C ATOM 459 C ALA A 29 5.039 3.959 4.819 1.00 0.00 C ATOM 460 O ALA A 29 5.807 4.825 4.401 1.00 0.00 O ATOM 461 CB ALA A 29 4.560 1.928 3.442 1.00 0.00 C ATOM 0 H ALA A 29 4.338 1.006 5.713 1.00 0.00 H new ATOM 0 HA ALA A 29 6.414 2.386 4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.785 2.510 2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.836 0.887 3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.493 1.990 3.657 1.00 0.00 H new ATOM 467 N ALA A 30 3.908 4.240 5.457 1.00 0.00 N ATOM 468 CA ALA A 30 3.478 5.615 5.685 1.00 0.00 C ATOM 469 C ALA A 30 4.526 6.398 6.465 1.00 0.00 C ATOM 470 O ALA A 30 4.813 7.552 6.150 1.00 0.00 O ATOM 471 CB ALA A 30 2.145 5.638 6.419 1.00 0.00 C ATOM 0 H ALA A 30 3.272 3.533 5.826 1.00 0.00 H new ATOM 0 HA ALA A 30 3.354 6.094 4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.837 6.671 6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.392 5.125 5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.250 5.135 7.380 1.00 0.00 H new ATOM 477 N LEU A 31 5.094 5.763 7.485 1.00 0.00 N ATOM 478 CA LEU A 31 6.148 6.380 8.280 1.00 0.00 C ATOM 479 C LEU A 31 7.477 6.370 7.535 1.00 0.00 C ATOM 480 O LEU A 31 8.271 7.304 7.650 1.00 0.00 O ATOM 481 CB LEU A 31 6.302 5.647 9.619 1.00 0.00 C ATOM 482 CG LEU A 31 5.114 5.766 10.582 1.00 0.00 C ATOM 483 CD1 LEU A 31 5.349 4.872 11.792 1.00 0.00 C ATOM 484 CD2 LEU A 31 4.944 7.219 10.999 1.00 0.00 C ATOM 0 H LEU A 31 4.841 4.820 7.780 1.00 0.00 H new ATOM 0 HA LEU A 31 5.863 7.416 8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.477 4.591 9.416 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.192 6.027 10.120 1.00 0.00 H new ATOM 0 HG LEU A 31 4.199 5.441 10.088 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.505 4.957 12.476 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.449 3.837 11.466 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.261 5.182 12.301 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.100 7.305 11.683 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.851 7.563 11.496 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.759 7.832 10.117 1.00 0.00 H new ATOM 496 N LYS A 32 7.715 5.310 6.770 1.00 0.00 N ATOM 497 CA LYS A 32 8.978 5.141 6.065 1.00 0.00 C ATOM 498 C LYS A 32 9.249 6.315 5.130 1.00 0.00 C ATOM 499 O LYS A 32 10.382 6.782 5.019 1.00 0.00 O ATOM 500 CB LYS A 32 8.982 3.830 5.275 1.00 0.00 C ATOM 501 CG LYS A 32 10.293 3.525 4.566 1.00 0.00 C ATOM 502 CD LYS A 32 10.262 2.153 3.911 1.00 0.00 C ATOM 503 CE LYS A 32 11.578 1.840 3.214 1.00 0.00 C ATOM 504 NZ LYS A 32 11.560 0.502 2.565 1.00 0.00 N ATOM 0 H LYS A 32 7.047 4.553 6.623 1.00 0.00 H new ATOM 0 HA LYS A 32 9.772 5.107 6.811 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.752 3.010 5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.183 3.864 4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.486 4.287 3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.114 3.570 5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.058 1.393 4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.447 2.112 3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.782 2.604 2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.391 1.880 3.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.475 0.328 2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.391 -0.230 3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.801 0.471 1.855 1.00 0.00 H new ATOM 518 N TYR A 33 8.203 6.785 4.462 1.00 0.00 N ATOM 519 CA TYR A 33 8.331 7.885 3.513 1.00 0.00 C ATOM 520 C TYR A 33 7.531 9.100 3.966 1.00 0.00 C ATOM 521 O TYR A 33 7.108 9.917 3.148 1.00 0.00 O ATOM 522 CB TYR A 33 7.881 7.444 2.119 1.00 0.00 C ATOM 523 CG TYR A 33 8.659 6.268 1.570 1.00 0.00 C ATOM 524 CD1 TYR A 33 8.074 5.011 1.523 1.00 0.00 C ATOM 525 CD2 TYR A 33 9.958 6.447 1.115 1.00 0.00 C ATOM 526 CE1 TYR A 33 8.785 3.937 1.022 1.00 0.00 C ATOM 527 CE2 TYR A 33 10.668 5.373 0.615 1.00 0.00 C ATOM 528 CZ TYR A 33 10.086 4.122 0.568 1.00 0.00 C ATOM 529 OH TYR A 33 10.794 3.053 0.068 1.00 0.00 O ATOM 0 H TYR A 33 7.255 6.421 4.560 1.00 0.00 H new ATOM 0 HA TYR A 33 9.382 8.169 3.470 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.823 7.183 2.154 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.979 8.285 1.433 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.063 4.872 1.878 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.413 7.426 1.152 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.332 2.958 0.983 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.679 5.512 0.261 1.00 0.00 H new ATOM 0 HH TYR A 33 11.686 3.351 -0.207 1.00 0.00 H new ATOM 539 N HIS A 34 7.325 9.213 5.274 1.00 0.00 N ATOM 540 CA HIS A 34 6.496 10.275 5.830 1.00 0.00 C ATOM 541 C HIS A 34 6.939 11.641 5.324 1.00 0.00 C ATOM 542 O HIS A 34 8.132 11.938 5.274 1.00 0.00 O ATOM 543 CB HIS A 34 6.542 10.252 7.362 1.00 0.00 C ATOM 544 CG HIS A 34 5.436 11.028 8.009 1.00 0.00 C ATOM 545 ND1 HIS A 34 5.443 12.404 8.092 1.00 0.00 N ATOM 546 CD2 HIS A 34 4.291 10.620 8.604 1.00 0.00 C ATOM 547 CE1 HIS A 34 4.348 12.809 8.709 1.00 0.00 C ATOM 548 NE2 HIS A 34 3.633 11.747 9.030 1.00 0.00 N ATOM 0 H HIS A 34 7.722 8.581 5.969 1.00 0.00 H new ATOM 0 HA HIS A 34 5.472 10.098 5.501 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.496 9.218 7.703 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.499 10.655 7.694 1.00 0.00 H new ATOM 0 HD2 HIS A 34 3.958 9.600 8.722 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.083 13.835 8.916 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.736 11.761 9.516 1.00 0.00 H new ATOM 556 N PRO A 35 5.970 12.471 4.950 1.00 0.00 N ATOM 557 CA PRO A 35 6.260 13.785 4.391 1.00 0.00 C ATOM 558 C PRO A 35 7.171 14.588 5.312 1.00 0.00 C ATOM 559 O PRO A 35 8.025 15.345 4.851 1.00 0.00 O ATOM 560 CB PRO A 35 4.873 14.423 4.270 1.00 0.00 C ATOM 561 CG PRO A 35 3.960 13.269 4.031 1.00 0.00 C ATOM 562 CD PRO A 35 4.506 12.173 4.905 1.00 0.00 C ATOM 0 HA PRO A 35 6.791 13.741 3.440 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.603 14.964 5.177 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.834 15.139 3.449 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.932 13.514 4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.957 12.976 2.981 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.060 12.191 5.900 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.308 11.187 4.485 1.00 0.00 H new ATOM 570 N ASP A 36 6.981 14.418 6.616 1.00 0.00 N ATOM 571 CA ASP A 36 7.706 15.206 7.605 1.00 0.00 C ATOM 572 C ASP A 36 8.980 14.499 8.049 1.00 0.00 C ATOM 573 O ASP A 36 9.668 14.954 8.963 1.00 0.00 O ATOM 574 CB ASP A 36 6.821 15.488 8.821 1.00 0.00 C ATOM 575 CG ASP A 36 5.635 16.385 8.496 1.00 0.00 C ATOM 576 OD1 ASP A 36 5.730 17.148 7.563 1.00 0.00 O ATOM 577 OD2 ASP A 36 4.645 16.302 9.184 1.00 0.00 O ATOM 0 H ASP A 36 6.330 13.740 7.013 1.00 0.00 H new ATOM 0 HA ASP A 36 7.982 16.150 7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.456 14.544 9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.422 15.957 9.600 1.00 0.00 H new ATOM 582 N LYS A 37 9.289 13.384 7.396 1.00 0.00 N ATOM 583 CA LYS A 37 10.511 12.642 7.682 1.00 0.00 C ATOM 584 C LYS A 37 11.700 13.234 6.933 1.00 0.00 C ATOM 585 O LYS A 37 11.644 13.439 5.722 1.00 0.00 O ATOM 586 CB LYS A 37 10.341 11.167 7.316 1.00 0.00 C ATOM 587 CG LYS A 37 11.548 10.296 7.638 1.00 0.00 C ATOM 588 CD LYS A 37 11.254 8.826 7.379 1.00 0.00 C ATOM 589 CE LYS A 37 12.518 7.984 7.466 1.00 0.00 C ATOM 590 NZ LYS A 37 12.240 6.539 7.243 1.00 0.00 N ATOM 0 H LYS A 37 8.709 12.974 6.664 1.00 0.00 H new ATOM 0 HA LYS A 37 10.707 12.720 8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.472 10.772 7.843 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.128 11.092 6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.398 10.611 7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.831 10.434 8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.524 8.466 8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.806 8.711 6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.238 8.333 6.726 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.977 8.118 8.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.126 6.047 7.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.834 6.126 8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.566 6.432 6.458 1.00 0.00 H new ATOM 604 N PRO A 38 12.777 13.503 7.665 1.00 0.00 N ATOM 605 CA PRO A 38 13.967 14.110 7.079 1.00 0.00 C ATOM 606 C PRO A 38 14.442 13.327 5.861 1.00 0.00 C ATOM 607 O PRO A 38 14.893 13.911 4.874 1.00 0.00 O ATOM 608 CB PRO A 38 14.984 14.046 8.223 1.00 0.00 C ATOM 609 CG PRO A 38 14.154 14.151 9.457 1.00 0.00 C ATOM 610 CD PRO A 38 12.917 13.349 9.146 1.00 0.00 C ATOM 0 HA PRO A 38 13.800 15.124 6.715 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.549 13.114 8.201 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.707 14.859 8.159 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.679 13.751 10.324 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.908 15.189 9.684 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.031 12.304 9.434 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.045 13.732 9.675 1.00 0.00 H new ATOM 618 N THR A 39 14.339 12.006 5.935 1.00 0.00 N ATOM 619 CA THR A 39 14.747 11.142 4.835 1.00 0.00 C ATOM 620 C THR A 39 13.557 10.391 4.253 1.00 0.00 C ATOM 621 O THR A 39 13.671 9.224 3.875 1.00 0.00 O ATOM 622 CB THR A 39 15.823 10.137 5.287 1.00 0.00 C ATOM 623 OG1 THR A 39 15.327 9.367 6.391 1.00 0.00 O ATOM 624 CG2 THR A 39 17.090 10.866 5.709 1.00 0.00 C ATOM 0 H THR A 39 13.975 11.509 6.748 1.00 0.00 H new ATOM 0 HA THR A 39 15.168 11.784 4.061 1.00 0.00 H new ATOM 0 HB THR A 39 16.058 9.477 4.452 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.011 8.727 6.677 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.839 10.140 6.025 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.475 11.442 4.868 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.864 11.538 6.537 1.00 0.00 H new ATOM 632 N GLY A 40 12.414 11.063 4.187 1.00 0.00 N ATOM 633 CA GLY A 40 11.219 10.487 3.580 1.00 0.00 C ATOM 634 C GLY A 40 11.149 10.807 2.093 1.00 0.00 C ATOM 635 O GLY A 40 12.153 11.165 1.477 1.00 0.00 O ATOM 0 H GLY A 40 12.289 12.009 4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.220 9.406 3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.331 10.874 4.080 1.00 0.00 H new ATOM 639 N ASP A 41 9.957 10.673 1.520 1.00 0.00 N ATOM 640 CA ASP A 41 9.760 10.919 0.097 1.00 0.00 C ATOM 641 C ASP A 41 8.292 11.182 -0.218 1.00 0.00 C ATOM 642 O ASP A 41 7.465 10.271 -0.173 1.00 0.00 O ATOM 643 CB ASP A 41 10.260 9.732 -0.729 1.00 0.00 C ATOM 644 CG ASP A 41 10.173 9.975 -2.230 1.00 0.00 C ATOM 645 OD1 ASP A 41 9.361 10.772 -2.637 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.919 9.361 -2.954 1.00 0.00 O ATOM 0 H ASP A 41 9.113 10.395 2.020 1.00 0.00 H new ATOM 0 HA ASP A 41 10.336 11.806 -0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.295 9.519 -0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.676 8.847 -0.475 1.00 0.00 H new ATOM 651 N THR A 42 7.975 12.431 -0.538 1.00 0.00 N ATOM 652 CA THR A 42 6.592 12.842 -0.750 1.00 0.00 C ATOM 653 C THR A 42 5.985 12.130 -1.953 1.00 0.00 C ATOM 654 O THR A 42 4.835 11.689 -1.909 1.00 0.00 O ATOM 655 CB THR A 42 6.489 14.365 -0.944 1.00 0.00 C ATOM 656 OG1 THR A 42 6.965 15.033 0.231 1.00 0.00 O ATOM 657 CG2 THR A 42 5.046 14.773 -1.204 1.00 0.00 C ATOM 0 H THR A 42 8.659 13.179 -0.657 1.00 0.00 H new ATOM 0 HA THR A 42 6.032 12.563 0.143 1.00 0.00 H new ATOM 0 HB THR A 42 7.097 14.648 -1.803 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.900 16.003 0.105 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.992 15.853 -1.339 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.684 14.276 -2.104 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.427 14.482 -0.355 1.00 0.00 H new ATOM 665 N GLU A 43 6.763 12.022 -3.024 1.00 0.00 N ATOM 666 CA GLU A 43 6.290 11.393 -4.253 1.00 0.00 C ATOM 667 C GLU A 43 6.006 9.912 -4.039 1.00 0.00 C ATOM 668 O GLU A 43 5.020 9.380 -4.548 1.00 0.00 O ATOM 669 CB GLU A 43 7.320 11.569 -5.371 1.00 0.00 C ATOM 670 CG GLU A 43 7.432 12.990 -5.904 1.00 0.00 C ATOM 671 CD GLU A 43 6.187 13.450 -6.610 1.00 0.00 C ATOM 672 OE1 GLU A 43 5.701 12.730 -7.448 1.00 0.00 O ATOM 673 OE2 GLU A 43 5.720 14.524 -6.311 1.00 0.00 O ATOM 0 H GLU A 43 7.724 12.362 -3.067 1.00 0.00 H new ATOM 0 HA GLU A 43 5.360 11.882 -4.542 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.296 11.254 -5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.061 10.904 -6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.646 13.667 -5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.276 13.049 -6.591 1.00 0.00 H new ATOM 680 N LYS A 44 6.876 9.250 -3.285 1.00 0.00 N ATOM 681 CA LYS A 44 6.674 7.850 -2.928 1.00 0.00 C ATOM 682 C LYS A 44 5.525 7.694 -1.942 1.00 0.00 C ATOM 683 O LYS A 44 4.771 6.723 -1.999 1.00 0.00 O ATOM 684 CB LYS A 44 7.955 7.256 -2.343 1.00 0.00 C ATOM 685 CG LYS A 44 7.875 5.766 -2.037 1.00 0.00 C ATOM 686 CD LYS A 44 7.574 4.960 -3.290 1.00 0.00 C ATOM 687 CE LYS A 44 8.701 5.072 -4.306 1.00 0.00 C ATOM 688 NZ LYS A 44 8.457 4.228 -5.506 1.00 0.00 N ATOM 0 H LYS A 44 7.730 9.661 -2.908 1.00 0.00 H new ATOM 0 HA LYS A 44 6.417 7.308 -3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.773 7.427 -3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.203 7.790 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.817 5.430 -1.604 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.100 5.587 -1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.424 3.914 -3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.644 5.312 -3.736 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.811 6.113 -4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.640 4.775 -3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.272 4.295 -6.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.327 3.238 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.602 4.560 -5.996 1.00 0.00 H new ATOM 702 N PHE A 45 5.396 8.657 -1.034 1.00 0.00 N ATOM 703 CA PHE A 45 4.295 8.665 -0.077 1.00 0.00 C ATOM 704 C PHE A 45 2.948 8.683 -0.787 1.00 0.00 C ATOM 705 O PHE A 45 2.014 7.989 -0.384 1.00 0.00 O ATOM 706 CB PHE A 45 4.404 9.875 0.852 1.00 0.00 C ATOM 707 CG PHE A 45 3.385 9.885 1.955 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.288 10.733 1.897 1.00 0.00 C ATOM 709 CD2 PHE A 45 3.520 9.050 3.054 1.00 0.00 C ATOM 710 CE1 PHE A 45 1.350 10.744 2.913 1.00 0.00 C ATOM 711 CE2 PHE A 45 2.584 9.058 4.068 1.00 0.00 C ATOM 712 CZ PHE A 45 1.498 9.905 3.998 1.00 0.00 C ATOM 0 H PHE A 45 6.041 9.442 -0.941 1.00 0.00 H new ATOM 0 HA PHE A 45 4.362 7.751 0.513 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.401 9.896 1.291 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.296 10.785 0.262 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.166 11.391 1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.369 8.385 3.117 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.501 11.410 2.857 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.702 8.401 4.917 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.765 9.911 4.791 1.00 0.00 H new ATOM 722 N LYS A 46 2.853 9.480 -1.846 1.00 0.00 N ATOM 723 CA LYS A 46 1.635 9.553 -2.644 1.00 0.00 C ATOM 724 C LYS A 46 1.338 8.219 -3.317 1.00 0.00 C ATOM 725 O LYS A 46 0.182 7.805 -3.413 1.00 0.00 O ATOM 726 CB LYS A 46 1.747 10.657 -3.695 1.00 0.00 C ATOM 727 CG LYS A 46 1.669 12.071 -3.132 1.00 0.00 C ATOM 728 CD LYS A 46 1.590 13.105 -4.245 1.00 0.00 C ATOM 729 CE LYS A 46 2.949 13.326 -4.894 1.00 0.00 C ATOM 730 NZ LYS A 46 2.919 14.438 -5.883 1.00 0.00 N ATOM 0 H LYS A 46 3.606 10.085 -2.172 1.00 0.00 H new ATOM 0 HA LYS A 46 0.810 9.788 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.692 10.542 -4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.951 10.526 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.795 12.160 -2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.544 12.267 -2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.874 12.777 -4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.220 14.048 -3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.688 13.546 -4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.268 12.409 -5.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.889 14.657 -6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.352 14.154 -6.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.496 15.281 -5.445 1.00 0.00 H new ATOM 744 N GLU A 47 2.387 7.549 -3.781 1.00 0.00 N ATOM 745 CA GLU A 47 2.241 6.248 -4.423 1.00 0.00 C ATOM 746 C GLU A 47 1.693 5.212 -3.451 1.00 0.00 C ATOM 747 O GLU A 47 0.790 4.448 -3.788 1.00 0.00 O ATOM 748 CB GLU A 47 3.587 5.777 -4.982 1.00 0.00 C ATOM 749 CG GLU A 47 4.072 6.556 -6.195 1.00 0.00 C ATOM 750 CD GLU A 47 5.401 6.073 -6.708 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.917 5.126 -6.164 1.00 0.00 O ATOM 752 OE2 GLU A 47 5.899 6.651 -7.644 1.00 0.00 O ATOM 0 H GLU A 47 3.348 7.886 -3.724 1.00 0.00 H new ATOM 0 HA GLU A 47 1.530 6.358 -5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.338 5.849 -4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.506 4.724 -5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.331 6.478 -6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.151 7.612 -5.935 1.00 0.00 H new ATOM 759 N ILE A 48 2.245 5.190 -2.243 1.00 0.00 N ATOM 760 CA ILE A 48 1.834 4.227 -1.229 1.00 0.00 C ATOM 761 C ILE A 48 0.524 4.643 -0.573 1.00 0.00 C ATOM 762 O ILE A 48 -0.158 3.828 0.046 1.00 0.00 O ATOM 763 CB ILE A 48 2.921 4.068 -0.149 1.00 0.00 C ATOM 764 CG1 ILE A 48 3.108 5.379 0.617 1.00 0.00 C ATOM 765 CG2 ILE A 48 4.233 3.623 -0.777 1.00 0.00 C ATOM 766 CD1 ILE A 48 4.010 5.257 1.824 1.00 0.00 C ATOM 0 H ILE A 48 2.980 5.830 -1.942 1.00 0.00 H new ATOM 0 HA ILE A 48 1.687 3.271 -1.731 1.00 0.00 H new ATOM 0 HB ILE A 48 2.600 3.301 0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.520 6.128 -0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.132 5.743 0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.990 3.515 -0.000 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.090 2.666 -1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.560 4.368 -1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.094 6.227 2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.589 4.533 2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.998 4.924 1.507 1.00 0.00 H new ATOM 778 N SER A 49 0.176 5.918 -0.714 1.00 0.00 N ATOM 779 CA SER A 49 -1.125 6.410 -0.278 1.00 0.00 C ATOM 780 C SER A 49 -2.248 5.822 -1.124 1.00 0.00 C ATOM 781 O SER A 49 -3.300 5.452 -0.605 1.00 0.00 O ATOM 782 CB SER A 49 -1.163 7.924 -0.355 1.00 0.00 C ATOM 783 OG SER A 49 -0.296 8.496 0.585 1.00 0.00 O ATOM 0 H SER A 49 0.778 6.630 -1.128 1.00 0.00 H new ATOM 0 HA SER A 49 -1.274 6.096 0.755 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.883 8.248 -1.357 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.180 8.275 -0.179 1.00 0.00 H new ATOM 0 HG SER A 49 0.582 8.064 0.526 1.00 0.00 H new ATOM 789 N GLU A 50 -2.016 5.736 -2.430 1.00 0.00 N ATOM 790 CA GLU A 50 -2.927 5.034 -3.325 1.00 0.00 C ATOM 791 C GLU A 50 -2.964 3.542 -3.013 1.00 0.00 C ATOM 792 O GLU A 50 -4.032 2.929 -2.995 1.00 0.00 O ATOM 793 CB GLU A 50 -2.514 5.249 -4.783 1.00 0.00 C ATOM 794 CG GLU A 50 -2.786 6.649 -5.314 1.00 0.00 C ATOM 795 CD GLU A 50 -2.392 6.816 -6.754 1.00 0.00 C ATOM 796 OE1 GLU A 50 -2.170 5.825 -7.408 1.00 0.00 O ATOM 797 OE2 GLU A 50 -2.313 7.936 -7.202 1.00 0.00 O ATOM 0 H GLU A 50 -1.204 6.145 -2.892 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.926 5.443 -3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.449 5.037 -4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.042 4.528 -5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.847 6.874 -5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.243 7.374 -4.708 1.00 0.00 H new ATOM 804 N ALA A 51 -1.793 2.965 -2.768 1.00 0.00 N ATOM 805 CA ALA A 51 -1.697 1.569 -2.362 1.00 0.00 C ATOM 806 C ALA A 51 -2.485 1.313 -1.084 1.00 0.00 C ATOM 807 O ALA A 51 -3.193 0.311 -0.968 1.00 0.00 O ATOM 808 CB ALA A 51 -0.242 1.170 -2.175 1.00 0.00 C ATOM 0 H ALA A 51 -0.896 3.444 -2.844 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.130 0.958 -3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.188 0.124 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.296 1.304 -3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.211 1.795 -1.405 1.00 0.00 H new ATOM 814 N PHE A 52 -2.359 2.223 -0.124 1.00 0.00 N ATOM 815 CA PHE A 52 -3.099 2.125 1.128 1.00 0.00 C ATOM 816 C PHE A 52 -4.601 2.116 0.881 1.00 0.00 C ATOM 817 O PHE A 52 -5.294 1.162 1.232 1.00 0.00 O ATOM 818 CB PHE A 52 -2.735 3.285 2.056 1.00 0.00 C ATOM 819 CG PHE A 52 -3.611 3.384 3.273 1.00 0.00 C ATOM 820 CD1 PHE A 52 -3.507 2.454 4.298 1.00 0.00 C ATOM 821 CD2 PHE A 52 -4.539 4.406 3.397 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.310 2.545 5.417 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.344 4.500 4.516 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.228 3.568 5.527 1.00 0.00 C ATOM 0 H PHE A 52 -1.750 3.038 -0.190 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.822 1.184 1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.698 3.173 2.374 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.798 4.219 1.497 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.790 1.650 4.219 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.634 5.138 2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.219 1.814 6.207 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.063 5.302 4.599 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.855 3.640 6.403 1.00 0.00 H new ATOM 834 N GLU A 53 -5.100 3.189 0.273 1.00 0.00 N ATOM 835 CA GLU A 53 -6.535 3.352 0.063 1.00 0.00 C ATOM 836 C GLU A 53 -7.121 2.161 -0.686 1.00 0.00 C ATOM 837 O GLU A 53 -8.138 1.599 -0.280 1.00 0.00 O ATOM 838 CB GLU A 53 -6.818 4.642 -0.708 1.00 0.00 C ATOM 839 CG GLU A 53 -8.289 4.882 -1.013 1.00 0.00 C ATOM 840 CD GLU A 53 -8.523 6.129 -1.817 1.00 0.00 C ATOM 841 OE1 GLU A 53 -7.612 6.909 -1.949 1.00 0.00 O ATOM 842 OE2 GLU A 53 -9.618 6.304 -2.302 1.00 0.00 O ATOM 0 H GLU A 53 -4.532 3.958 -0.083 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.011 3.409 1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.436 5.486 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.264 4.619 -1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.687 4.025 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.843 4.950 -0.077 1.00 0.00 H new ATOM 849 N ILE A 54 -6.473 1.782 -1.782 1.00 0.00 N ATOM 850 CA ILE A 54 -6.966 0.702 -2.627 1.00 0.00 C ATOM 851 C ILE A 54 -7.000 -0.620 -1.868 1.00 0.00 C ATOM 852 O ILE A 54 -7.960 -1.384 -1.978 1.00 0.00 O ATOM 853 CB ILE A 54 -6.092 0.547 -3.887 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.280 1.750 -4.816 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.428 -0.747 -4.612 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.239 1.844 -5.909 1.00 0.00 C ATOM 0 H ILE A 54 -5.604 2.207 -2.106 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.981 0.962 -2.926 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.046 0.507 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.268 1.694 -5.272 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.254 2.664 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.802 -0.840 -5.499 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.247 -1.593 -3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.477 -0.736 -4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.438 2.720 -6.526 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.249 1.932 -5.462 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.279 0.948 -6.528 1.00 0.00 H new ATOM 868 N LEU A 55 -5.950 -0.883 -1.101 1.00 0.00 N ATOM 869 CA LEU A 55 -5.819 -2.148 -0.388 1.00 0.00 C ATOM 870 C LEU A 55 -6.446 -2.069 0.998 1.00 0.00 C ATOM 871 O LEU A 55 -6.567 -3.076 1.694 1.00 0.00 O ATOM 872 CB LEU A 55 -4.340 -2.537 -0.265 1.00 0.00 C ATOM 873 CG LEU A 55 -3.602 -2.778 -1.588 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.143 -3.108 -1.305 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.281 -3.906 -2.349 1.00 0.00 C ATOM 0 H LEU A 55 -5.175 -0.236 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.348 -2.910 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.821 -1.749 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.271 -3.442 0.338 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.637 -1.879 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.620 -3.279 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.678 -2.276 -0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.086 -4.006 -0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.757 -4.078 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.257 -4.816 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.316 -3.634 -2.555 1.00 0.00 H new ATOM 887 N ASN A 56 -6.844 -0.863 1.393 1.00 0.00 N ATOM 888 CA ASN A 56 -7.601 -0.672 2.623 1.00 0.00 C ATOM 889 C ASN A 56 -9.071 -1.023 2.425 1.00 0.00 C ATOM 890 O ASN A 56 -9.634 -1.825 3.170 1.00 0.00 O ATOM 891 CB ASN A 56 -7.456 0.752 3.125 1.00 0.00 C ATOM 892 CG ASN A 56 -8.127 0.969 4.452 1.00 0.00 C ATOM 893 OD1 ASN A 56 -7.832 0.276 5.433 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.025 1.919 4.504 1.00 0.00 N ATOM 0 H ASN A 56 -6.654 -0.004 0.878 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.193 -1.347 3.375 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.397 0.996 3.213 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.881 1.437 2.391 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.513 2.112 5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.237 2.466 3.670 1.00 0.00 H new ATOM 901 N ASP A 57 -9.687 -0.416 1.417 1.00 0.00 N ATOM 902 CA ASP A 57 -11.057 -0.751 1.043 1.00 0.00 C ATOM 903 C ASP A 57 -11.153 -2.183 0.533 1.00 0.00 C ATOM 904 O ASP A 57 -10.560 -2.529 -0.490 1.00 0.00 O ATOM 905 CB ASP A 57 -11.572 0.214 -0.029 1.00 0.00 C ATOM 906 CG ASP A 57 -13.035 -0.014 -0.376 1.00 0.00 C ATOM 907 OD1 ASP A 57 -13.552 -1.054 -0.039 1.00 0.00 O ATOM 908 OD2 ASP A 57 -13.626 0.851 -0.977 1.00 0.00 O ATOM 0 H ASP A 57 -9.260 0.311 0.843 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.676 -0.659 1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.442 1.239 0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -10.969 0.104 -0.930 1.00 0.00 H new ATOM 913 N PRO A 58 -11.903 -3.012 1.250 1.00 0.00 N ATOM 914 CA PRO A 58 -12.040 -4.421 0.899 1.00 0.00 C ATOM 915 C PRO A 58 -12.451 -4.588 -0.558 1.00 0.00 C ATOM 916 O PRO A 58 -12.010 -5.516 -1.235 1.00 0.00 O ATOM 917 CB PRO A 58 -13.134 -4.909 1.854 1.00 0.00 C ATOM 918 CG PRO A 58 -12.963 -4.064 3.069 1.00 0.00 C ATOM 919 CD PRO A 58 -12.614 -2.701 2.532 1.00 0.00 C ATOM 0 HA PRO A 58 -11.111 -4.983 0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -14.126 -4.785 1.419 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.017 -5.968 2.086 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.876 -4.035 3.664 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.174 -4.451 3.714 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.504 -2.095 2.363 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.977 -2.147 3.222 1.00 0.00 H new ATOM 927 N GLN A 59 -13.298 -3.682 -1.036 1.00 0.00 N ATOM 928 CA GLN A 59 -13.801 -3.750 -2.403 1.00 0.00 C ATOM 929 C GLN A 59 -12.691 -3.487 -3.413 1.00 0.00 C ATOM 930 O GLN A 59 -12.493 -4.260 -4.350 1.00 0.00 O ATOM 931 CB GLN A 59 -14.940 -2.748 -2.605 1.00 0.00 C ATOM 932 CG GLN A 59 -16.216 -3.095 -1.859 1.00 0.00 C ATOM 933 CD GLN A 59 -17.299 -2.050 -2.045 1.00 0.00 C ATOM 934 OE1 GLN A 59 -17.029 -0.927 -2.477 1.00 0.00 O ATOM 935 NE2 GLN A 59 -18.535 -2.414 -1.719 1.00 0.00 N ATOM 0 H GLN A 59 -13.651 -2.892 -0.496 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.181 -4.758 -2.567 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -14.602 -1.762 -2.285 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -15.163 -2.678 -3.670 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.584 -4.061 -2.205 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -15.995 -3.200 -0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -18.713 -3.354 -1.365 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -19.305 -1.753 -1.823 1.00 0.00 H new ATOM 944 N LYS A 60 -11.967 -2.390 -3.215 1.00 0.00 N ATOM 945 CA LYS A 60 -10.879 -2.019 -4.112 1.00 0.00 C ATOM 946 C LYS A 60 -9.733 -3.019 -4.030 1.00 0.00 C ATOM 947 O LYS A 60 -9.055 -3.283 -5.023 1.00 0.00 O ATOM 948 CB LYS A 60 -10.373 -0.611 -3.786 1.00 0.00 C ATOM 949 CG LYS A 60 -11.344 0.504 -4.146 1.00 0.00 C ATOM 950 CD LYS A 60 -10.774 1.869 -3.788 1.00 0.00 C ATOM 951 CE LYS A 60 -11.750 2.985 -4.132 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.219 4.324 -3.759 1.00 0.00 N ATOM 0 H LYS A 60 -12.114 -1.742 -2.441 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.268 -2.029 -5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.153 -0.555 -2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.434 -0.444 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.564 0.468 -5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.287 0.352 -3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.543 1.901 -2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.837 2.025 -4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.963 2.964 -5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.694 2.813 -3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.001 4.931 -3.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.526 4.221 -2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.759 4.757 -4.585 1.00 0.00 H new ATOM 966 N ARG A 61 -9.522 -3.574 -2.841 1.00 0.00 N ATOM 967 CA ARG A 61 -8.510 -4.604 -2.647 1.00 0.00 C ATOM 968 C ARG A 61 -8.762 -5.803 -3.554 1.00 0.00 C ATOM 969 O ARG A 61 -7.855 -6.278 -4.238 1.00 0.00 O ATOM 970 CB ARG A 61 -8.488 -5.066 -1.197 1.00 0.00 C ATOM 971 CG ARG A 61 -7.419 -6.097 -0.870 1.00 0.00 C ATOM 972 CD ARG A 61 -7.584 -6.644 0.501 1.00 0.00 C ATOM 973 NE ARG A 61 -7.458 -5.610 1.516 1.00 0.00 N ATOM 974 CZ ARG A 61 -7.703 -5.794 2.829 1.00 0.00 C ATOM 975 NH1 ARG A 61 -8.085 -6.972 3.268 1.00 0.00 N ATOM 976 NH2 ARG A 61 -7.559 -4.788 3.674 1.00 0.00 N ATOM 0 H ARG A 61 -10.039 -3.327 -1.997 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.545 -4.167 -2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.342 -4.197 -0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.464 -5.484 -0.949 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.464 -6.910 -1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.433 -5.641 -0.964 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.561 -7.120 0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.836 -7.417 0.676 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.164 -4.681 1.214 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.196 -7.748 2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.270 -7.111 4.261 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.263 -3.874 3.333 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.744 -4.926 4.668 1.00 0.00 H new ATOM 990 N GLU A 62 -9.999 -6.287 -3.556 1.00 0.00 N ATOM 991 CA GLU A 62 -10.374 -7.429 -4.381 1.00 0.00 C ATOM 992 C GLU A 62 -10.358 -7.068 -5.861 1.00 0.00 C ATOM 993 O GLU A 62 -9.955 -7.873 -6.700 1.00 0.00 O ATOM 994 CB GLU A 62 -11.762 -7.940 -3.985 1.00 0.00 C ATOM 995 CG GLU A 62 -11.810 -8.653 -2.641 1.00 0.00 C ATOM 996 CD GLU A 62 -10.936 -9.876 -2.597 1.00 0.00 C ATOM 997 OE1 GLU A 62 -10.852 -10.560 -3.589 1.00 0.00 O ATOM 998 OE2 GLU A 62 -10.352 -10.128 -1.569 1.00 0.00 O ATOM 0 H GLU A 62 -10.760 -5.905 -2.994 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.640 -8.217 -4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.453 -7.097 -3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.119 -8.622 -4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.499 -7.962 -1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.839 -8.940 -2.424 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.799 -5.855 -6.174 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.763 -5.356 -7.543 1.00 0.00 C ATOM 1007 C ILE A 63 -9.333 -5.291 -8.068 1.00 0.00 C ATOM 1008 O ILE A 63 -9.072 -5.617 -9.226 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.409 -3.962 -7.638 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.917 -4.054 -7.392 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -11.126 -3.334 -8.994 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.583 -2.716 -7.170 1.00 0.00 C ATOM 0 H ILE A 63 -11.186 -5.198 -5.497 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.332 -6.054 -8.157 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.972 -3.326 -6.868 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.385 -4.545 -8.245 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.096 -4.687 -6.523 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.590 -2.349 -9.043 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.049 -3.235 -9.131 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.535 -3.968 -9.781 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.650 -2.864 -7.003 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.143 -2.231 -6.299 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.437 -2.087 -8.048 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.413 -4.868 -7.209 1.00 0.00 N ATOM 1025 CA TYR A 64 -7.000 -4.817 -7.564 1.00 0.00 C ATOM 1026 C TYR A 64 -6.464 -6.205 -7.893 1.00 0.00 C ATOM 1027 O TYR A 64 -5.799 -6.399 -8.910 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.185 -4.190 -6.432 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.690 -4.232 -6.658 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -4.127 -3.528 -7.713 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -3.881 -4.978 -5.812 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.762 -3.567 -7.920 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.516 -5.016 -6.020 1.00 0.00 C ATOM 1034 CZ TYR A 64 -1.957 -4.315 -7.069 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.597 -4.354 -7.274 1.00 0.00 O ATOM 0 H TYR A 64 -8.621 -4.555 -6.261 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.902 -4.196 -8.454 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.495 -3.153 -6.306 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.417 -4.707 -5.501 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.757 -2.949 -8.373 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.318 -5.528 -4.992 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.322 -3.019 -8.740 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.886 -5.595 -5.361 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.409 -4.281 -8.233 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.759 -7.168 -7.025 1.00 0.00 N ATOM 1046 CA ASP A 65 -6.152 -8.492 -7.115 1.00 0.00 C ATOM 1047 C ASP A 65 -6.900 -9.375 -8.105 1.00 0.00 C ATOM 1048 O ASP A 65 -6.536 -10.531 -8.319 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.127 -9.164 -5.740 1.00 0.00 C ATOM 1050 CG ASP A 65 -5.113 -8.539 -4.792 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -4.114 -8.048 -5.262 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -5.346 -8.558 -3.607 1.00 0.00 O ATOM 0 H ASP A 65 -7.414 -7.056 -6.251 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.130 -8.364 -7.471 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.120 -9.103 -5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.897 -10.222 -5.863 1.00 0.00 H new ATOM 1057 N GLN A 66 -7.946 -8.822 -8.711 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.737 -9.553 -9.692 1.00 0.00 C ATOM 1059 C GLN A 66 -8.707 -8.859 -11.049 1.00 0.00 C ATOM 1060 O GLN A 66 -8.549 -9.506 -12.084 1.00 0.00 O ATOM 1061 CB GLN A 66 -10.183 -9.703 -9.213 1.00 0.00 C ATOM 1062 CG GLN A 66 -10.347 -10.612 -8.007 1.00 0.00 C ATOM 1063 CD GLN A 66 -11.798 -10.769 -7.593 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -12.692 -10.868 -8.439 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -12.041 -10.791 -6.288 1.00 0.00 N ATOM 0 H GLN A 66 -8.265 -7.869 -8.539 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.296 -10.544 -9.803 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.577 -8.717 -8.967 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.787 -10.092 -10.032 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.929 -11.593 -8.235 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.775 -10.209 -7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.271 -10.706 -5.624 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.998 -10.893 -5.949 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.863 -7.540 -11.036 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.931 -6.765 -12.268 1.00 0.00 C ATOM 1076 C TYR A 67 -7.609 -6.064 -12.554 1.00 0.00 C ATOM 1077 O TYR A 67 -7.113 -6.089 -13.680 1.00 0.00 O ATOM 1078 CB TYR A 67 -10.068 -5.743 -12.196 1.00 0.00 C ATOM 1079 CG TYR A 67 -11.441 -6.364 -12.065 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -12.267 -6.460 -13.175 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -11.873 -6.838 -10.835 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -13.520 -7.028 -13.055 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -13.127 -7.406 -10.715 1.00 0.00 C ATOM 1084 CZ TYR A 67 -13.949 -7.501 -11.820 1.00 0.00 C ATOM 1085 OH TYR A 67 -15.198 -8.067 -11.702 1.00 0.00 O ATOM 0 H TYR A 67 -8.945 -6.985 -10.184 1.00 0.00 H new ATOM 0 HA TYR A 67 -9.130 -7.457 -13.086 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.896 -5.082 -11.347 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -10.044 -5.123 -13.092 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.931 -6.091 -14.133 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.229 -6.763 -9.971 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -14.165 -7.105 -13.918 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.464 -7.775 -9.758 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.523 -7.955 -10.784 1.00 0.00 H new ATOM 1095 N GLY A 68 -7.042 -5.439 -11.528 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.740 -4.797 -11.645 1.00 0.00 C ATOM 1097 C GLY A 68 -5.775 -3.375 -11.099 1.00 0.00 C ATOM 1098 O GLY A 68 -6.824 -2.887 -10.680 1.00 0.00 O ATOM 0 H GLY A 68 -7.466 -5.364 -10.603 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.995 -5.379 -11.103 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.433 -4.780 -12.691 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.621 -2.715 -11.108 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.507 -1.367 -10.564 1.00 0.00 C ATOM 1104 C LEU A 69 -5.430 -0.399 -11.293 1.00 0.00 C ATOM 1105 O LEU A 69 -6.188 0.341 -10.666 1.00 0.00 O ATOM 1106 CB LEU A 69 -3.058 -0.875 -10.668 1.00 0.00 C ATOM 1107 CG LEU A 69 -2.812 0.574 -10.228 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -3.224 0.739 -8.772 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.346 0.924 -10.426 1.00 0.00 C ATOM 0 H LEU A 69 -3.752 -3.092 -11.486 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.804 -1.403 -9.516 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.428 -1.530 -10.066 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.731 -0.981 -11.702 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.411 1.254 -10.834 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.049 1.768 -8.459 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.282 0.501 -8.664 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.636 0.065 -8.149 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.172 1.954 -10.113 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.728 0.254 -9.828 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.085 0.816 -11.479 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.362 -0.409 -12.619 1.00 0.00 N ATOM 1122 CA GLU A 70 -6.149 0.509 -13.434 1.00 0.00 C ATOM 1123 C GLU A 70 -7.604 0.537 -12.983 1.00 0.00 C ATOM 1124 O GLU A 70 -8.190 1.607 -12.812 1.00 0.00 O ATOM 1125 CB GLU A 70 -6.071 0.115 -14.910 1.00 0.00 C ATOM 1126 CG GLU A 70 -6.831 1.040 -15.849 1.00 0.00 C ATOM 1127 CD GLU A 70 -6.711 0.636 -17.293 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -6.043 -0.333 -17.564 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -7.285 1.299 -18.124 1.00 0.00 O ATOM 0 H GLU A 70 -4.769 -1.044 -13.154 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.730 1.507 -13.308 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.024 0.091 -15.212 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.459 -0.897 -15.024 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.884 1.051 -15.566 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.458 2.057 -15.729 1.00 0.00 H new ATOM 1136 N ALA A 71 -8.182 -0.644 -12.792 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.572 -0.757 -12.363 1.00 0.00 C ATOM 1138 C ALA A 71 -9.756 -0.221 -10.950 1.00 0.00 C ATOM 1139 O ALA A 71 -10.573 0.672 -10.716 1.00 0.00 O ATOM 1140 CB ALA A 71 -10.035 -2.203 -12.445 1.00 0.00 C ATOM 0 H ALA A 71 -7.709 -1.538 -12.928 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.182 -0.153 -13.035 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.074 -2.271 -12.122 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.951 -2.554 -13.473 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.412 -2.822 -11.799 1.00 0.00 H new ATOM 1146 N ALA A 72 -8.995 -0.769 -10.008 1.00 0.00 N ATOM 1147 CA ALA A 72 -9.156 -0.433 -8.600 1.00 0.00 C ATOM 1148 C ALA A 72 -8.888 1.047 -8.352 1.00 0.00 C ATOM 1149 O ALA A 72 -9.533 1.670 -7.508 1.00 0.00 O ATOM 1150 CB ALA A 72 -8.234 -1.287 -7.742 1.00 0.00 C ATOM 0 H ALA A 72 -8.259 -1.450 -10.196 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.189 -0.640 -8.322 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.366 -1.024 -6.693 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.476 -2.340 -7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.199 -1.110 -8.033 1.00 0.00 H new ATOM 1156 N ARG A 73 -7.936 1.603 -9.093 1.00 0.00 N ATOM 1157 CA ARG A 73 -7.587 3.012 -8.960 1.00 0.00 C ATOM 1158 C ARG A 73 -8.740 3.908 -9.395 1.00 0.00 C ATOM 1159 O ARG A 73 -9.023 4.923 -8.759 1.00 0.00 O ATOM 1160 CB ARG A 73 -6.355 3.338 -9.791 1.00 0.00 C ATOM 1161 CG ARG A 73 -5.745 4.704 -9.520 1.00 0.00 C ATOM 1162 CD ARG A 73 -4.481 4.902 -10.275 1.00 0.00 C ATOM 1163 NE ARG A 73 -3.772 6.096 -9.844 1.00 0.00 N ATOM 1164 CZ ARG A 73 -3.944 7.321 -10.377 1.00 0.00 C ATOM 1165 NH1 ARG A 73 -4.803 7.498 -11.357 1.00 0.00 N ATOM 1166 NH2 ARG A 73 -3.249 8.346 -9.915 1.00 0.00 N ATOM 0 H ARG A 73 -7.392 1.099 -9.793 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.374 3.199 -7.907 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.598 2.575 -9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.620 3.277 -10.847 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.458 5.482 -9.794 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.552 4.811 -8.453 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.839 4.031 -10.142 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.702 4.976 -11.340 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.097 5.999 -9.085 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.340 6.707 -11.714 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.933 8.426 -11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.583 8.209 -9.155 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.379 9.274 -10.318 1.00 0.00 H new ATOM 1180 N SER A 74 -9.402 3.526 -10.481 1.00 0.00 N ATOM 1181 CA SER A 74 -10.573 4.251 -10.960 1.00 0.00 C ATOM 1182 C SER A 74 -11.790 3.971 -10.088 1.00 0.00 C ATOM 1183 O SER A 74 -12.726 4.767 -10.035 1.00 0.00 O ATOM 1184 CB SER A 74 -10.872 3.871 -12.397 1.00 0.00 C ATOM 1185 OG SER A 74 -11.335 2.552 -12.482 1.00 0.00 O ATOM 0 H SER A 74 -9.147 2.717 -11.047 1.00 0.00 H new ATOM 0 HA SER A 74 -10.352 5.317 -10.906 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.619 4.550 -12.808 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.972 3.984 -13.001 1.00 0.00 H new ATOM 0 HG SER A 74 -10.830 1.987 -11.861 1.00 0.00 H new ATOM 1191 N GLY A 75 -11.771 2.832 -9.403 1.00 0.00 N ATOM 1192 CA GLY A 75 -12.902 2.411 -8.584 1.00 0.00 C ATOM 1193 C GLY A 75 -13.437 1.059 -9.038 1.00 0.00 C ATOM 1194 O GLY A 75 -14.151 0.383 -8.297 1.00 0.00 O ATOM 0 H GLY A 75 -10.984 2.183 -9.399 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.596 2.352 -7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.695 3.157 -8.642 1.00 0.00 H new ATOM 1198 N GLY A 76 -13.091 0.671 -10.260 1.00 0.00 N ATOM 1199 CA GLY A 76 -13.450 -0.644 -10.777 1.00 0.00 C ATOM 1200 C GLY A 76 -14.893 -0.671 -11.260 1.00 0.00 C ATOM 1201 O GLY A 76 -15.499 0.376 -11.495 1.00 0.00 O ATOM 0 H GLY A 76 -12.561 1.249 -10.912 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.784 -0.909 -11.598 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.310 -1.394 -9.999 1.00 0.00 H new ATOM 1205 N PRO A 77 -15.442 -1.872 -11.406 1.00 0.00 N ATOM 1206 CA PRO A 77 -16.824 -2.035 -11.841 1.00 0.00 C ATOM 1207 C PRO A 77 -17.789 -1.366 -10.871 1.00 0.00 C ATOM 1208 O PRO A 77 -17.506 -1.253 -9.678 1.00 0.00 O ATOM 1209 CB PRO A 77 -17.003 -3.556 -11.856 1.00 0.00 C ATOM 1210 CG PRO A 77 -15.620 -4.086 -12.023 1.00 0.00 C ATOM 1211 CD PRO A 77 -14.759 -3.145 -11.222 1.00 0.00 C ATOM 0 HA PRO A 77 -17.030 -1.574 -12.807 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.457 -3.913 -10.931 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.652 -3.872 -12.673 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -15.539 -5.109 -11.655 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -15.324 -4.100 -13.072 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -14.709 -3.433 -10.172 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -13.734 -3.115 -11.593 1.00 0.00 H new ATOM 1219 N SER A 78 -18.930 -0.924 -11.388 1.00 0.00 N ATOM 1220 CA SER A 78 -19.923 -0.232 -10.576 1.00 0.00 C ATOM 1221 C SER A 78 -20.547 -1.171 -9.552 1.00 0.00 C ATOM 1222 O SER A 78 -21.163 -0.727 -8.582 1.00 0.00 O ATOM 1223 CB SER A 78 -21.004 0.355 -11.461 1.00 0.00 C ATOM 1224 OG SER A 78 -21.759 -0.655 -12.070 1.00 0.00 O ATOM 0 H SER A 78 -19.190 -1.033 -12.368 1.00 0.00 H new ATOM 0 HA SER A 78 -19.418 0.572 -10.040 1.00 0.00 H new ATOM 0 HB2 SER A 78 -21.657 0.994 -10.867 1.00 0.00 H new ATOM 0 HB3 SER A 78 -20.550 0.986 -12.226 1.00 0.00 H new ATOM 0 HG SER A 78 -22.451 -0.251 -12.634 1.00 0.00 H new ATOM 1230 N PHE A 79 -20.385 -2.471 -9.771 1.00 0.00 N ATOM 1231 CA PHE A 79 -20.922 -3.475 -8.862 1.00 0.00 C ATOM 1232 C PHE A 79 -19.820 -4.100 -8.017 1.00 0.00 C ATOM 1233 O PHE A 79 -20.016 -5.147 -7.400 1.00 0.00 O ATOM 1234 CB PHE A 79 -21.654 -4.568 -9.644 1.00 0.00 C ATOM 1235 CG PHE A 79 -22.840 -4.066 -10.419 1.00 0.00 C ATOM 1236 CD1 PHE A 79 -22.765 -3.896 -11.794 1.00 0.00 C ATOM 1237 CD2 PHE A 79 -24.031 -3.764 -9.776 1.00 0.00 C ATOM 1238 CE1 PHE A 79 -23.856 -3.435 -12.508 1.00 0.00 C ATOM 1239 CE2 PHE A 79 -25.121 -3.306 -10.488 1.00 0.00 C ATOM 1240 CZ PHE A 79 -25.033 -3.140 -11.856 1.00 0.00 C ATOM 0 H PHE A 79 -19.884 -2.854 -10.573 1.00 0.00 H new ATOM 0 HA PHE A 79 -21.626 -2.975 -8.197 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -20.954 -5.040 -10.334 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -21.986 -5.339 -8.949 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -21.846 -4.126 -12.312 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -24.106 -3.889 -8.706 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -23.785 -3.306 -13.578 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -26.043 -3.077 -9.975 1.00 0.00 H new ATOM 0 HZ PHE A 79 -25.885 -2.780 -12.413 1.00 0.00 H new ATOM 1250 N GLY A 80 -18.660 -3.453 -7.994 1.00 0.00 N ATOM 1251 CA GLY A 80 -17.537 -3.921 -7.191 1.00 0.00 C ATOM 1252 C GLY A 80 -16.791 -5.050 -7.892 1.00 0.00 C ATOM 1253 O GLY A 80 -16.872 -5.197 -9.111 1.00 0.00 O ATOM 0 H GLY A 80 -18.473 -2.601 -8.523 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.854 -3.094 -7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.898 -4.267 -6.222 1.00 0.00 H new ATOM 1257 N PRO A 81 -16.065 -5.845 -7.114 1.00 0.00 N ATOM 1258 CA PRO A 81 -15.270 -6.936 -7.663 1.00 0.00 C ATOM 1259 C PRO A 81 -16.151 -8.106 -8.079 1.00 0.00 C ATOM 1260 O PRO A 81 -16.739 -8.073 -9.125 1.00 0.00 O ATOM 1261 CB PRO A 81 -14.346 -7.309 -6.499 1.00 0.00 C ATOM 1262 CG PRO A 81 -15.128 -6.947 -5.282 1.00 0.00 C ATOM 1263 CD PRO A 81 -15.854 -5.686 -5.667 1.00 0.00 C ATOM 1264 OXT PRO A 81 -16.259 -9.061 -7.360 1.00 0.00 O ATOM 0 HA PRO A 81 -14.725 -6.661 -8.566 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -14.098 -8.370 -6.512 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -13.405 -6.761 -6.546 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.825 -7.739 -5.007 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.476 -6.784 -4.424 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -16.798 -5.586 -5.131 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -15.264 -4.798 -5.442 1.00 0.00 H new TER 1272 PRO A 81