USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 883 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 63 ASN : amide:sc= -0.64 X(o=0.52,f=0.75) USER MOD Set 1.2: A 74 TYR OH : rot -109:sc= 1.16 USER MOD Set 2.1: A 48 TYR OH : rot 117:sc= 1.74 USER MOD Set 2.2: A 104 HEC O2A : rot -140:sc= 1.06 USER MOD Set 3.1: A 39 HIS : no HE2:sc=-0.00396 X(o=-0.011,f=-0.49) USER MOD Set 3.2: A 42 GLN : amide:sc=-0.00746 K(o=-0.011,f=-5.1!) USER MOD Set 4.1: A 19 THR OG1 : rot 67:sc= 1.16 USER MOD Set 4.2: A 31 ASN : amide:sc= 1.54 K(o=2.7,f=-2.5) USER MOD Set 5.1: A 5 LYS NZ :NH3+ -148:sc= 1.22 (180deg=0) USER MOD Set 5.2: A 8 THR OG1 : rot -18:sc= 2.24 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -135:sc= 0.118 (180deg=-0.289!) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0526) USER MOD Single : A 12 THR OG1 : rot -33:sc= 0.871 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.114) USER MOD Single : A 26 HIS :FLIP no HE2:sc= -1.73 F(o=-2.9!,f=-1.7) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= -0.0132 (180deg=-0.186) USER MOD Single : A 33 HIS : no HE2:sc= -0.247 K(o=-0.25,f=-1) USER MOD Single : A 40 SER OG : rot 87:sc= 1.92 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 150:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.01) USER MOD Single : A 54 LYS NZ :NH3+ -118:sc= 0.0309 (180deg=-0.771!) USER MOD Single : A 55 LYS NZ :NH3+ 175:sc= 1.48 (180deg=1.44) USER MOD Single : A 56 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.29) USER MOD Single : A 62 ASN : amide:sc= -0.455 K(o=-0.46,f=-3.3!) USER MOD Single : A 64 MET CE :methyl 178:sc= -1.81! (180deg=-1.82!) USER MOD Single : A 65 SER OG : rot -74:sc= 1.24 USER MOD Single : A 67 TYR OH : rot -127:sc= 0.714 USER MOD Single : A 69 THR OG1 : rot 176:sc= 1.18 USER MOD Single : A 70 ASN : amide:sc= 0.0639 K(o=0.064,f=-3.4!) USER MOD Single : A 72 LYS NZ :NH3+ -145:sc= 1.32 (180deg=0.65) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 170:sc= 0.243 USER MOD Single : A 79 LYS NZ :NH3+ 170:sc= 2.42 (180deg=2.18) USER MOD Single : A 80 MET CE :methyl -173:sc= -0.0725 (180deg=-0.17) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -154:sc= 1.33 (180deg=0.53) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.235 K(o=-0.23,f=-4.3!) USER MOD Single : A 96 THR OG1 : rot -130:sc= 0.326 USER MOD Single : A 97 TYR OH : rot 153:sc= 0.0953 USER MOD Single : A 99 LYS NZ :NH3+ -161:sc= 0.741 (180deg=0.0915) USER MOD Single : A 100 LYS NZ :NH3+ -175:sc= 1.23 (180deg=0.865) USER MOD Single : A 102 THR OG1 : rot -23:sc= 0.35 USER MOD Single : A 104 HEC O2D : rot -125:sc= 0.401 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -7.573 -9.096 14.867 1.00 0.00 N ATOM 2 CA THR A -5 -8.656 -9.242 13.877 1.00 0.00 C ATOM 3 C THR A -5 -8.014 -9.257 12.508 1.00 0.00 C ATOM 4 O THR A -5 -7.382 -8.293 12.100 1.00 0.00 O ATOM 5 CB THR A -5 -9.766 -8.197 14.020 1.00 0.00 C ATOM 6 OG1 THR A -5 -10.643 -8.316 12.932 1.00 0.00 O ATOM 7 CG2 THR A -5 -9.314 -6.740 14.121 1.00 0.00 C ATOM 0 H1 THR A -5 -7.724 -9.765 15.648 1.00 0.00 H new ATOM 0 H2 THR A -5 -6.659 -9.295 14.413 1.00 0.00 H new ATOM 0 H3 THR A -5 -7.571 -8.125 15.239 1.00 0.00 H new ATOM 0 HA THR A -5 -9.184 -10.180 14.048 1.00 0.00 H new ATOM 0 HB THR A -5 -10.237 -8.418 14.978 1.00 0.00 H new ATOM 0 HG1 THR A -5 -11.359 -7.652 13.015 1.00 0.00 H new ATOM 0 HG21 THR A -5 -10.187 -6.094 14.219 1.00 0.00 H new ATOM 0 HG22 THR A -5 -8.673 -6.618 14.994 1.00 0.00 H new ATOM 0 HG23 THR A -5 -8.760 -6.468 13.223 1.00 0.00 H new ATOM 17 N GLU A -4 -8.048 -10.401 11.836 1.00 0.00 N ATOM 18 CA GLU A -4 -6.965 -10.865 10.953 1.00 0.00 C ATOM 19 C GLU A -4 -7.288 -10.568 9.484 1.00 0.00 C ATOM 20 O GLU A -4 -7.039 -11.370 8.587 1.00 0.00 O ATOM 21 CB GLU A -4 -6.673 -12.348 11.273 1.00 0.00 C ATOM 22 CG GLU A -4 -5.773 -12.535 12.512 1.00 0.00 C ATOM 23 CD GLU A -4 -6.171 -11.642 13.695 1.00 0.00 C ATOM 24 OE1 GLU A -4 -7.258 -11.834 14.289 1.00 0.00 O ATOM 25 OE2 GLU A -4 -5.503 -10.611 13.930 1.00 0.00 O ATOM 0 H GLU A -4 -8.836 -11.047 11.884 1.00 0.00 H new ATOM 0 HA GLU A -4 -6.042 -10.315 11.137 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -7.616 -12.871 11.434 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -6.194 -12.812 10.411 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -5.811 -13.578 12.825 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -4.740 -12.322 12.237 1.00 0.00 H new ATOM 32 N PHE A -3 -7.863 -9.379 9.262 1.00 0.00 N ATOM 33 CA PHE A -3 -8.485 -8.962 8.001 1.00 0.00 C ATOM 34 C PHE A -3 -9.623 -9.940 7.610 1.00 0.00 C ATOM 35 O PHE A -3 -10.081 -10.754 8.419 1.00 0.00 O ATOM 36 CB PHE A -3 -7.352 -8.689 6.972 1.00 0.00 C ATOM 37 CG PHE A -3 -7.623 -8.901 5.495 1.00 0.00 C ATOM 38 CD1 PHE A -3 -7.466 -10.190 4.951 1.00 0.00 C ATOM 39 CD2 PHE A -3 -7.992 -7.828 4.661 1.00 0.00 C ATOM 40 CE1 PHE A -3 -7.649 -10.403 3.574 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.174 -8.049 3.282 1.00 0.00 C ATOM 42 CZ PHE A -3 -7.994 -9.330 2.736 1.00 0.00 C ATOM 0 H PHE A -3 -7.909 -8.657 9.981 1.00 0.00 H new ATOM 0 HA PHE A -3 -9.021 -8.016 8.070 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -7.034 -7.654 7.101 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -6.505 -9.319 7.243 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -7.204 -11.017 5.594 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -8.135 -6.841 5.076 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -7.524 -11.393 3.160 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -8.454 -7.227 2.640 1.00 0.00 H new ATOM 0 HZ PHE A -3 -8.120 -9.490 1.675 1.00 0.00 H new ATOM 52 N LYS A -2 -10.179 -9.811 6.404 1.00 0.00 N ATOM 53 CA LYS A -2 -10.997 -10.846 5.768 1.00 0.00 C ATOM 54 C LYS A -2 -10.898 -10.755 4.247 1.00 0.00 C ATOM 55 O LYS A -2 -11.139 -9.684 3.694 1.00 0.00 O ATOM 56 CB LYS A -2 -12.459 -10.723 6.248 1.00 0.00 C ATOM 57 CG LYS A -2 -13.127 -12.094 6.431 1.00 0.00 C ATOM 58 CD LYS A -2 -12.600 -12.817 7.685 1.00 0.00 C ATOM 59 CE LYS A -2 -13.202 -14.215 7.871 1.00 0.00 C ATOM 60 NZ LYS A -2 -14.650 -14.169 8.198 1.00 0.00 N ATOM 0 H LYS A -2 -10.072 -8.972 5.833 1.00 0.00 H new ATOM 0 HA LYS A -2 -10.622 -11.827 6.059 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -12.485 -10.179 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -13.028 -10.137 5.527 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -14.207 -11.966 6.510 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -12.943 -12.710 5.551 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -11.515 -12.901 7.620 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -12.821 -12.213 8.565 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -13.056 -14.795 6.959 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -12.669 -14.734 8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -15.011 -15.138 8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -14.790 -13.639 9.082 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -15.165 -13.698 7.427 1.00 0.00 H new ATOM 74 N ALA A -1 -10.569 -11.868 3.593 1.00 0.00 N ATOM 75 CA ALA A -1 -10.554 -11.953 2.133 1.00 0.00 C ATOM 76 C ALA A -1 -11.951 -11.706 1.528 1.00 0.00 C ATOM 77 O ALA A -1 -12.970 -12.063 2.131 1.00 0.00 O ATOM 78 CB ALA A -1 -9.998 -13.327 1.737 1.00 0.00 C ATOM 0 H ALA A -1 -10.305 -12.736 4.060 1.00 0.00 H new ATOM 0 HA ALA A -1 -9.913 -11.169 1.730 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -9.978 -13.412 0.651 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -8.987 -13.437 2.128 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -10.634 -14.110 2.151 1.00 0.00 H new ATOM 84 N GLY A 1 -11.979 -11.120 0.329 1.00 0.00 N ATOM 85 CA GLY A 1 -13.174 -10.792 -0.450 1.00 0.00 C ATOM 86 C GLY A 1 -13.013 -11.145 -1.934 1.00 0.00 C ATOM 87 O GLY A 1 -12.369 -12.133 -2.292 1.00 0.00 O ATOM 0 H GLY A 1 -11.121 -10.847 -0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.030 -11.328 -0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.388 -9.728 -0.353 1.00 0.00 H new ATOM 91 N SER A 2 -13.645 -10.353 -2.806 1.00 0.00 N ATOM 92 CA SER A 2 -13.444 -10.474 -4.264 1.00 0.00 C ATOM 93 C SER A 2 -13.892 -9.254 -5.082 1.00 0.00 C ATOM 94 O SER A 2 -13.721 -9.223 -6.303 1.00 0.00 O ATOM 95 CB SER A 2 -14.181 -11.722 -4.792 1.00 0.00 C ATOM 96 OG SER A 2 -13.310 -12.504 -5.584 1.00 0.00 O ATOM 0 H SER A 2 -14.300 -9.620 -2.534 1.00 0.00 H new ATOM 0 HA SER A 2 -12.365 -10.554 -4.398 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.554 -12.314 -3.956 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.047 -11.420 -5.381 1.00 0.00 H new ATOM 0 HG SER A 2 -13.787 -13.294 -5.913 1.00 0.00 H new ATOM 102 N ALA A 3 -14.534 -8.255 -4.469 1.00 0.00 N ATOM 103 CA ALA A 3 -15.241 -7.230 -5.222 1.00 0.00 C ATOM 104 C ALA A 3 -14.277 -6.326 -6.010 1.00 0.00 C ATOM 105 O ALA A 3 -13.661 -5.422 -5.456 1.00 0.00 O ATOM 106 CB ALA A 3 -16.163 -6.434 -4.287 1.00 0.00 C ATOM 0 H ALA A 3 -14.575 -8.140 -3.456 1.00 0.00 H new ATOM 0 HA ALA A 3 -15.865 -7.719 -5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -16.688 -5.669 -4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -16.888 -7.108 -3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -15.568 -5.959 -3.507 1.00 0.00 H new ATOM 112 N LYS A 4 -14.251 -6.471 -7.345 1.00 0.00 N ATOM 113 CA LYS A 4 -13.599 -5.574 -8.335 1.00 0.00 C ATOM 114 C LYS A 4 -13.913 -4.067 -8.203 1.00 0.00 C ATOM 115 O LYS A 4 -13.306 -3.234 -8.876 1.00 0.00 O ATOM 116 CB LYS A 4 -13.859 -6.100 -9.761 1.00 0.00 C ATOM 117 CG LYS A 4 -15.337 -6.041 -10.195 1.00 0.00 C ATOM 118 CD LYS A 4 -15.534 -6.685 -11.577 1.00 0.00 C ATOM 119 CE LYS A 4 -17.013 -6.649 -11.987 1.00 0.00 C ATOM 120 NZ LYS A 4 -17.247 -7.355 -13.273 1.00 0.00 N ATOM 0 H LYS A 4 -14.710 -7.262 -7.797 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.534 -5.615 -8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.262 -5.520 -10.465 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.514 -7.132 -9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.956 -6.555 -9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.670 -5.003 -10.223 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.933 -6.158 -12.318 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.182 -7.716 -11.556 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -17.618 -7.108 -11.205 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.340 -5.613 -12.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.257 -7.309 -13.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.689 -6.901 -14.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.959 -8.350 -13.180 1.00 0.00 H new ATOM 134 N LYS A 5 -14.806 -3.694 -7.280 1.00 0.00 N ATOM 135 CA LYS A 5 -14.872 -2.364 -6.656 1.00 0.00 C ATOM 136 C LYS A 5 -13.498 -1.904 -6.129 1.00 0.00 C ATOM 137 O LYS A 5 -13.170 -0.739 -6.321 1.00 0.00 O ATOM 138 CB LYS A 5 -15.929 -2.388 -5.535 1.00 0.00 C ATOM 139 CG LYS A 5 -16.388 -0.992 -5.067 1.00 0.00 C ATOM 140 CD LYS A 5 -17.778 -0.580 -5.591 1.00 0.00 C ATOM 141 CE LYS A 5 -17.851 -0.257 -7.092 1.00 0.00 C ATOM 142 NZ LYS A 5 -17.208 1.038 -7.427 1.00 0.00 N ATOM 0 H LYS A 5 -15.526 -4.328 -6.934 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.165 -1.635 -7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -16.798 -2.946 -5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.524 -2.930 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.401 -0.972 -3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.655 -0.253 -5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.481 -1.385 -5.376 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.113 0.294 -5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.368 -1.055 -7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.895 -0.232 -7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.702 1.473 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.258 1.673 -6.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.212 0.876 -7.679 1.00 0.00 H new ATOM 156 N GLY A 6 -12.673 -2.798 -5.579 1.00 0.00 N ATOM 157 CA GLY A 6 -11.278 -2.557 -5.191 1.00 0.00 C ATOM 158 C GLY A 6 -10.425 -1.889 -6.274 1.00 0.00 C ATOM 159 O GLY A 6 -9.754 -0.897 -6.002 1.00 0.00 O ATOM 0 H GLY A 6 -12.971 -3.753 -5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.265 -1.931 -4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.820 -3.508 -4.920 1.00 0.00 H new ATOM 163 N ALA A 7 -10.530 -2.349 -7.524 1.00 0.00 N ATOM 164 CA ALA A 7 -9.888 -1.700 -8.674 1.00 0.00 C ATOM 165 C ALA A 7 -10.383 -0.255 -8.873 1.00 0.00 C ATOM 166 O ALA A 7 -9.594 0.682 -8.991 1.00 0.00 O ATOM 167 CB ALA A 7 -10.131 -2.544 -9.934 1.00 0.00 C ATOM 0 H ALA A 7 -11.063 -3.183 -7.769 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.817 -1.638 -8.480 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.656 -2.065 -10.790 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.707 -3.538 -9.793 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.203 -2.628 -10.114 1.00 0.00 H new ATOM 173 N THR A 8 -11.706 -0.052 -8.878 1.00 0.00 N ATOM 174 CA THR A 8 -12.304 1.293 -8.989 1.00 0.00 C ATOM 175 C THR A 8 -11.945 2.226 -7.825 1.00 0.00 C ATOM 176 O THR A 8 -11.804 3.425 -8.046 1.00 0.00 O ATOM 177 CB THR A 8 -13.830 1.249 -9.161 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.513 0.721 -8.037 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.247 0.398 -10.362 1.00 0.00 C ATOM 0 H THR A 8 -12.391 -0.805 -8.806 1.00 0.00 H new ATOM 0 HA THR A 8 -11.860 1.709 -9.894 1.00 0.00 H new ATOM 0 HB THR A 8 -14.107 2.294 -9.300 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.882 0.227 -7.473 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.334 0.395 -10.446 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.814 0.815 -11.271 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.891 -0.623 -10.226 1.00 0.00 H new ATOM 187 N LEU A 9 -11.760 1.677 -6.617 1.00 0.00 N ATOM 188 CA LEU A 9 -11.326 2.387 -5.412 1.00 0.00 C ATOM 189 C LEU A 9 -9.874 2.812 -5.581 1.00 0.00 C ATOM 190 O LEU A 9 -9.583 3.999 -5.612 1.00 0.00 O ATOM 191 CB LEU A 9 -11.474 1.502 -4.162 1.00 0.00 C ATOM 192 CG LEU A 9 -12.911 1.435 -3.643 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.072 0.249 -2.688 1.00 0.00 C ATOM 194 CD2 LEU A 9 -13.310 2.709 -2.894 1.00 0.00 C ATOM 0 H LEU A 9 -11.916 0.683 -6.448 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.957 3.265 -5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.130 0.494 -4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.826 1.885 -3.374 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.557 1.321 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.099 0.211 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.839 -0.676 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.393 0.367 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.338 2.618 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.647 2.852 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.230 3.565 -3.564 1.00 0.00 H new ATOM 206 N PHE A 10 -8.972 1.846 -5.762 1.00 0.00 N ATOM 207 CA PHE A 10 -7.542 2.055 -6.011 1.00 0.00 C ATOM 208 C PHE A 10 -7.292 3.193 -7.009 1.00 0.00 C ATOM 209 O PHE A 10 -6.474 4.079 -6.749 1.00 0.00 O ATOM 210 CB PHE A 10 -6.916 0.742 -6.509 1.00 0.00 C ATOM 211 CG PHE A 10 -5.428 0.836 -6.784 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.522 0.859 -5.709 1.00 0.00 C ATOM 213 CD2 PHE A 10 -4.941 0.897 -8.106 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.144 0.998 -5.950 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.557 0.999 -8.344 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.661 1.078 -7.265 1.00 0.00 C ATOM 0 H PHE A 10 -9.226 0.858 -5.739 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.070 2.352 -5.074 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.090 -0.036 -5.766 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.425 0.431 -7.421 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.886 0.770 -4.696 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.630 0.865 -8.937 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.455 1.043 -5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.184 1.017 -9.357 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.603 1.200 -7.447 1.00 0.00 H new ATOM 226 N LYS A 11 -8.047 3.203 -8.121 1.00 0.00 N ATOM 227 CA LYS A 11 -7.933 4.189 -9.212 1.00 0.00 C ATOM 228 C LYS A 11 -8.118 5.657 -8.775 1.00 0.00 C ATOM 229 O LYS A 11 -7.566 6.536 -9.427 1.00 0.00 O ATOM 230 CB LYS A 11 -8.895 3.793 -10.349 1.00 0.00 C ATOM 231 CG LYS A 11 -8.481 4.390 -11.705 1.00 0.00 C ATOM 232 CD LYS A 11 -9.386 3.878 -12.838 1.00 0.00 C ATOM 233 CE LYS A 11 -8.895 4.331 -14.222 1.00 0.00 C ATOM 234 NZ LYS A 11 -7.617 3.669 -14.611 1.00 0.00 N ATOM 0 H LYS A 11 -8.773 2.507 -8.291 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.904 4.156 -9.569 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.930 2.707 -10.429 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.903 4.127 -10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.533 5.478 -11.658 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.444 4.130 -11.918 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.424 2.789 -12.806 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.403 4.237 -12.679 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.659 4.109 -14.967 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.756 5.412 -14.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.394 3.898 -15.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.850 4.007 -13.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.714 2.639 -14.508 1.00 0.00 H new ATOM 248 N THR A 12 -8.818 5.900 -7.663 1.00 0.00 N ATOM 249 CA THR A 12 -9.072 7.229 -7.066 1.00 0.00 C ATOM 250 C THR A 12 -8.696 7.348 -5.582 1.00 0.00 C ATOM 251 O THR A 12 -8.965 8.380 -4.968 1.00 0.00 O ATOM 252 CB THR A 12 -10.533 7.645 -7.320 1.00 0.00 C ATOM 253 OG1 THR A 12 -10.741 8.974 -6.925 1.00 0.00 O ATOM 254 CG2 THR A 12 -11.559 6.797 -6.569 1.00 0.00 C ATOM 0 H THR A 12 -9.245 5.146 -7.125 1.00 0.00 H new ATOM 0 HA THR A 12 -8.400 7.925 -7.568 1.00 0.00 H new ATOM 0 HB THR A 12 -10.680 7.505 -8.391 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.172 9.179 -6.154 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.563 7.152 -6.800 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.463 5.755 -6.874 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.383 6.878 -5.496 1.00 0.00 H new ATOM 262 N ARG A 13 -8.090 6.314 -4.982 1.00 0.00 N ATOM 263 CA ARG A 13 -7.596 6.325 -3.592 1.00 0.00 C ATOM 264 C ARG A 13 -6.065 6.371 -3.514 1.00 0.00 C ATOM 265 O ARG A 13 -5.518 7.020 -2.629 1.00 0.00 O ATOM 266 CB ARG A 13 -8.094 5.080 -2.825 1.00 0.00 C ATOM 267 CG ARG A 13 -9.605 4.943 -2.557 1.00 0.00 C ATOM 268 CD ARG A 13 -10.174 5.994 -1.599 1.00 0.00 C ATOM 269 NE ARG A 13 -11.325 5.467 -0.822 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.271 6.173 -0.229 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.292 7.475 -0.256 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.208 5.576 0.442 1.00 0.00 N ATOM 0 H ARG A 13 -7.925 5.427 -5.457 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.991 7.232 -3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.773 4.198 -3.379 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.582 5.055 -1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.138 5.007 -3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.801 3.952 -2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.392 6.322 -0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.489 6.870 -2.166 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.392 4.453 -0.737 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.560 7.987 -0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.041 7.983 0.215 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.215 4.558 0.513 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.937 6.124 0.899 1.00 0.00 H new ATOM 286 N CYS A 14 -5.388 5.653 -4.416 1.00 0.00 N ATOM 287 CA CYS A 14 -3.965 5.312 -4.299 1.00 0.00 C ATOM 288 C CYS A 14 -3.195 5.593 -5.593 1.00 0.00 C ATOM 289 O CYS A 14 -2.072 6.093 -5.553 1.00 0.00 O ATOM 290 CB CYS A 14 -3.827 3.820 -3.969 1.00 0.00 C ATOM 291 SG CYS A 14 -4.959 3.103 -2.731 1.00 0.00 S ATOM 0 H CYS A 14 -5.821 5.286 -5.263 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.545 5.933 -3.508 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.951 3.261 -4.897 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.807 3.648 -3.627 1.00 0.00 H new ATOM 296 N LEU A 15 -3.804 5.305 -6.752 1.00 0.00 N ATOM 297 CA LEU A 15 -3.196 5.454 -8.080 1.00 0.00 C ATOM 298 C LEU A 15 -2.757 6.899 -8.406 1.00 0.00 C ATOM 299 O LEU A 15 -1.828 7.099 -9.183 1.00 0.00 O ATOM 300 CB LEU A 15 -4.173 4.858 -9.109 1.00 0.00 C ATOM 301 CG LEU A 15 -3.633 4.779 -10.552 1.00 0.00 C ATOM 302 CD1 LEU A 15 -4.144 3.520 -11.256 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.106 5.966 -11.398 1.00 0.00 C ATOM 0 H LEU A 15 -4.760 4.952 -6.792 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.255 4.905 -8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.450 3.855 -8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.085 5.456 -9.111 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.546 4.776 -10.468 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.750 3.486 -12.272 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.813 2.637 -10.709 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.233 3.539 -11.290 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.706 5.876 -12.408 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.195 5.973 -11.439 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.754 6.895 -10.950 1.00 0.00 H new ATOM 315 N GLN A 16 -3.322 7.906 -7.729 1.00 0.00 N ATOM 316 CA GLN A 16 -2.812 9.287 -7.743 1.00 0.00 C ATOM 317 C GLN A 16 -1.315 9.419 -7.370 1.00 0.00 C ATOM 318 O GLN A 16 -0.657 10.353 -7.821 1.00 0.00 O ATOM 319 CB GLN A 16 -3.701 10.179 -6.854 1.00 0.00 C ATOM 320 CG GLN A 16 -3.741 9.778 -5.367 1.00 0.00 C ATOM 321 CD GLN A 16 -4.613 10.730 -4.548 1.00 0.00 C ATOM 322 OE1 GLN A 16 -5.831 10.678 -4.570 1.00 0.00 O ATOM 323 NE2 GLN A 16 -4.039 11.635 -3.787 1.00 0.00 N ATOM 0 H GLN A 16 -4.153 7.787 -7.150 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.867 9.629 -8.776 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.348 11.208 -6.929 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.717 10.161 -7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.125 8.762 -5.274 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.728 9.774 -4.964 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.022 11.700 -3.750 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.611 12.273 -3.233 1.00 0.00 H new ATOM 332 N CYS A 17 -0.766 8.479 -6.592 1.00 0.00 N ATOM 333 CA CYS A 17 0.609 8.495 -6.071 1.00 0.00 C ATOM 334 C CYS A 17 1.448 7.255 -6.424 1.00 0.00 C ATOM 335 O CYS A 17 2.674 7.286 -6.265 1.00 0.00 O ATOM 336 CB CYS A 17 0.571 8.643 -4.548 1.00 0.00 C ATOM 337 SG CYS A 17 -0.005 10.253 -3.925 1.00 0.00 S ATOM 0 H CYS A 17 -1.286 7.653 -6.296 1.00 0.00 H new ATOM 0 HA CYS A 17 1.096 9.342 -6.554 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.075 7.865 -4.142 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.573 8.461 -4.159 1.00 0.00 H new ATOM 342 N HIS A 18 0.811 6.172 -6.891 1.00 0.00 N ATOM 343 CA HIS A 18 1.393 4.834 -7.060 1.00 0.00 C ATOM 344 C HIS A 18 1.042 4.158 -8.398 1.00 0.00 C ATOM 345 O HIS A 18 0.077 4.514 -9.070 1.00 0.00 O ATOM 346 CB HIS A 18 0.868 3.940 -5.925 1.00 0.00 C ATOM 347 CG HIS A 18 1.454 4.236 -4.574 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.785 4.157 -4.258 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.762 4.457 -3.413 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.895 4.303 -2.934 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.688 4.495 -2.370 1.00 0.00 N ATOM 0 H HIS A 18 -0.168 6.207 -7.174 1.00 0.00 H new ATOM 0 HA HIS A 18 2.476 4.957 -7.042 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.215 4.046 -5.868 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.073 2.899 -6.175 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.553 4.013 -4.914 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.307 4.580 -3.321 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.827 4.271 -2.390 1.00 0.00 H new ATOM 359 N THR A 19 1.769 3.087 -8.714 1.00 0.00 N ATOM 360 CA THR A 19 1.451 2.083 -9.747 1.00 0.00 C ATOM 361 C THR A 19 1.339 0.694 -9.112 1.00 0.00 C ATOM 362 O THR A 19 1.681 0.530 -7.941 1.00 0.00 O ATOM 363 CB THR A 19 2.512 2.080 -10.852 1.00 0.00 C ATOM 364 OG1 THR A 19 3.786 1.802 -10.320 1.00 0.00 O ATOM 365 CG2 THR A 19 2.595 3.424 -11.574 1.00 0.00 C ATOM 0 H THR A 19 2.645 2.879 -8.234 1.00 0.00 H new ATOM 0 HA THR A 19 0.494 2.345 -10.198 1.00 0.00 H new ATOM 0 HB THR A 19 2.211 1.307 -11.560 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.809 0.879 -9.992 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.360 3.374 -12.349 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.632 3.652 -12.030 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.852 4.206 -10.859 1.00 0.00 H new ATOM 373 N VAL A 20 0.861 -0.311 -9.855 1.00 0.00 N ATOM 374 CA VAL A 20 0.690 -1.697 -9.350 1.00 0.00 C ATOM 375 C VAL A 20 1.071 -2.797 -10.351 1.00 0.00 C ATOM 376 O VAL A 20 1.137 -3.976 -10.004 1.00 0.00 O ATOM 377 CB VAL A 20 -0.751 -1.879 -8.838 1.00 0.00 C ATOM 378 CG1 VAL A 20 -1.760 -2.098 -9.971 1.00 0.00 C ATOM 379 CG2 VAL A 20 -0.870 -2.995 -7.796 1.00 0.00 C ATOM 0 H VAL A 20 0.578 -0.195 -10.828 1.00 0.00 H new ATOM 0 HA VAL A 20 1.400 -1.819 -8.532 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.001 -0.937 -8.349 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.758 -2.220 -9.551 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.750 -1.236 -10.639 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.490 -2.994 -10.531 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.907 -3.079 -7.470 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.550 -3.939 -8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.238 -2.762 -6.939 1.00 0.00 H new ATOM 389 N GLU A 21 1.334 -2.418 -11.598 1.00 0.00 N ATOM 390 CA GLU A 21 1.717 -3.352 -12.662 1.00 0.00 C ATOM 391 C GLU A 21 3.242 -3.515 -12.786 1.00 0.00 C ATOM 392 O GLU A 21 4.054 -2.810 -12.176 1.00 0.00 O ATOM 393 CB GLU A 21 1.077 -2.930 -13.988 1.00 0.00 C ATOM 394 CG GLU A 21 -0.457 -3.039 -13.932 1.00 0.00 C ATOM 395 CD GLU A 21 -1.110 -1.975 -14.809 1.00 0.00 C ATOM 396 OE1 GLU A 21 -1.234 -0.835 -14.304 1.00 0.00 O ATOM 397 OE2 GLU A 21 -1.446 -2.299 -15.967 1.00 0.00 O ATOM 0 H GLU A 21 1.288 -1.446 -11.905 1.00 0.00 H new ATOM 0 HA GLU A 21 1.336 -4.337 -12.392 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.362 -1.904 -14.221 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.459 -3.557 -14.794 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.768 -4.030 -14.263 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.796 -2.926 -12.902 1.00 0.00 H new ATOM 404 N LYS A 22 3.656 -4.510 -13.572 1.00 0.00 N ATOM 405 CA LYS A 22 4.985 -5.123 -13.521 1.00 0.00 C ATOM 406 C LYS A 22 6.057 -4.378 -14.330 1.00 0.00 C ATOM 407 O LYS A 22 6.688 -4.926 -15.226 1.00 0.00 O ATOM 408 CB LYS A 22 4.800 -6.589 -13.921 1.00 0.00 C ATOM 409 CG LYS A 22 5.953 -7.448 -13.410 1.00 0.00 C ATOM 410 CD LYS A 22 5.602 -8.923 -13.609 1.00 0.00 C ATOM 411 CE LYS A 22 6.514 -9.844 -12.786 1.00 0.00 C ATOM 412 NZ LYS A 22 7.955 -9.517 -12.945 1.00 0.00 N ATOM 0 H LYS A 22 3.056 -4.925 -14.285 1.00 0.00 H new ATOM 0 HA LYS A 22 5.390 -5.057 -12.511 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.858 -6.963 -13.519 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.737 -6.668 -15.006 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.870 -7.204 -13.946 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.136 -7.244 -12.355 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.564 -9.091 -13.324 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.687 -9.177 -14.665 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.243 -9.770 -11.733 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.345 -10.878 -13.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.531 -10.274 -12.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.182 -9.431 -13.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.162 -8.617 -12.466 1.00 0.00 H new ATOM 426 N GLY A 23 6.250 -3.117 -13.974 1.00 0.00 N ATOM 427 CA GLY A 23 7.062 -2.119 -14.679 1.00 0.00 C ATOM 428 C GLY A 23 6.600 -0.669 -14.474 1.00 0.00 C ATOM 429 O GLY A 23 7.067 0.220 -15.179 1.00 0.00 O ATOM 0 H GLY A 23 5.819 -2.733 -13.133 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.096 -2.209 -14.347 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.049 -2.345 -15.745 1.00 0.00 H new ATOM 433 N GLY A 24 5.665 -0.420 -13.549 1.00 0.00 N ATOM 434 CA GLY A 24 5.133 0.913 -13.290 1.00 0.00 C ATOM 435 C GLY A 24 6.203 1.898 -12.777 1.00 0.00 C ATOM 436 O GLY A 24 6.921 1.570 -11.825 1.00 0.00 O ATOM 0 H GLY A 24 5.257 -1.145 -12.959 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.693 1.307 -14.206 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.330 0.842 -12.556 1.00 0.00 H new ATOM 440 N PRO A 25 6.324 3.103 -13.368 1.00 0.00 N ATOM 441 CA PRO A 25 7.276 4.108 -12.908 1.00 0.00 C ATOM 442 C PRO A 25 6.898 4.637 -11.518 1.00 0.00 C ATOM 443 O PRO A 25 5.758 5.030 -11.275 1.00 0.00 O ATOM 444 CB PRO A 25 7.267 5.206 -13.976 1.00 0.00 C ATOM 445 CG PRO A 25 5.872 5.098 -14.590 1.00 0.00 C ATOM 446 CD PRO A 25 5.575 3.602 -14.515 1.00 0.00 C ATOM 0 HA PRO A 25 8.278 3.695 -12.790 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.438 6.190 -13.540 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.047 5.047 -14.721 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.140 5.683 -14.033 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.855 5.461 -15.618 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.507 3.421 -14.393 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.881 3.097 -15.431 1.00 0.00 H new ATOM 454 N HIS A 26 7.884 4.666 -10.621 1.00 0.00 N ATOM 455 CA HIS A 26 7.792 5.271 -9.291 1.00 0.00 C ATOM 456 C HIS A 26 7.446 6.764 -9.436 1.00 0.00 C ATOM 457 O HIS A 26 8.148 7.490 -10.142 1.00 0.00 O ATOM 458 CB HIS A 26 9.133 5.089 -8.565 1.00 0.00 C ATOM 459 CG HIS A 26 9.472 3.674 -8.148 1.00 0.00 C ATOM 460 ND1 HIS A 26 9.841 3.307 -6.884 1.00 0.00 N flip ATOM 461 CD2 HIS A 26 9.537 2.541 -8.938 1.00 0.00 C flip ATOM 462 CE1 HIS A 26 10.101 1.941 -6.891 1.00 0.00 C flip ATOM 463 NE2 HIS A 26 9.948 1.526 -8.152 1.00 0.00 N flip ATOM 0 H HIS A 26 8.799 4.255 -10.806 1.00 0.00 H new ATOM 0 HA HIS A 26 7.008 4.788 -8.707 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.928 5.456 -9.214 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.131 5.719 -7.675 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.913 3.927 -6.077 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.302 2.480 -9.990 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.374 1.333 -6.041 1.00 0.00 H new ATOM 471 N LYS A 27 6.342 7.206 -8.821 1.00 0.00 N ATOM 472 CA LYS A 27 5.654 8.468 -9.158 1.00 0.00 C ATOM 473 C LYS A 27 5.677 9.496 -8.025 1.00 0.00 C ATOM 474 O LYS A 27 6.276 10.556 -8.174 1.00 0.00 O ATOM 475 CB LYS A 27 4.236 8.150 -9.664 1.00 0.00 C ATOM 476 CG LYS A 27 3.611 9.378 -10.339 1.00 0.00 C ATOM 477 CD LYS A 27 2.190 9.083 -10.839 1.00 0.00 C ATOM 478 CE LYS A 27 1.598 10.301 -11.562 1.00 0.00 C ATOM 479 NZ LYS A 27 2.341 10.615 -12.811 1.00 0.00 N ATOM 0 H LYS A 27 5.891 6.693 -8.063 1.00 0.00 H new ATOM 0 HA LYS A 27 6.206 8.957 -9.961 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.274 7.321 -10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.611 7.830 -8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.584 10.208 -9.633 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.235 9.691 -11.176 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.208 8.228 -11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.554 8.810 -9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.552 10.110 -11.800 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.621 11.165 -10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.793 11.291 -13.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.263 11.032 -12.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.488 9.742 -13.357 1.00 0.00 H new ATOM 493 N VAL A 28 5.016 9.180 -6.912 1.00 0.00 N ATOM 494 CA VAL A 28 5.031 9.974 -5.665 1.00 0.00 C ATOM 495 C VAL A 28 5.446 9.084 -4.492 1.00 0.00 C ATOM 496 O VAL A 28 6.224 9.517 -3.644 1.00 0.00 O ATOM 497 CB VAL A 28 3.673 10.655 -5.400 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.723 11.594 -4.189 1.00 0.00 C ATOM 499 CG2 VAL A 28 3.187 11.473 -6.603 1.00 0.00 C ATOM 0 H VAL A 28 4.437 8.343 -6.842 1.00 0.00 H new ATOM 0 HA VAL A 28 5.763 10.774 -5.777 1.00 0.00 H new ATOM 0 HB VAL A 28 2.980 9.836 -5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.744 12.050 -4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.996 11.026 -3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.464 12.374 -4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.227 11.933 -6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.915 12.251 -6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.073 10.818 -7.466 1.00 0.00 H new ATOM 509 N GLY A 29 5.018 7.819 -4.519 1.00 0.00 N ATOM 510 CA GLY A 29 5.654 6.677 -3.871 1.00 0.00 C ATOM 511 C GLY A 29 6.040 5.591 -4.896 1.00 0.00 C ATOM 512 O GLY A 29 5.960 5.828 -6.111 1.00 0.00 O ATOM 0 H GLY A 29 4.172 7.553 -5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.545 7.009 -3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.977 6.254 -3.129 1.00 0.00 H new ATOM 516 N PRO A 30 6.478 4.415 -4.420 1.00 0.00 N ATOM 517 CA PRO A 30 6.960 3.326 -5.270 1.00 0.00 C ATOM 518 C PRO A 30 5.881 2.575 -6.060 1.00 0.00 C ATOM 519 O PRO A 30 4.680 2.780 -5.882 1.00 0.00 O ATOM 520 CB PRO A 30 7.698 2.379 -4.311 1.00 0.00 C ATOM 521 CG PRO A 30 6.933 2.573 -3.005 1.00 0.00 C ATOM 522 CD PRO A 30 6.665 4.071 -3.017 1.00 0.00 C ATOM 0 HA PRO A 30 7.591 3.739 -6.057 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.661 1.345 -4.653 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.750 2.644 -4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.010 1.993 -2.982 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.521 2.270 -2.139 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.780 4.317 -2.430 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.499 4.624 -2.584 1.00 0.00 H new ATOM 530 N ASN A 31 6.313 1.655 -6.925 1.00 0.00 N ATOM 531 CA ASN A 31 5.417 0.627 -7.455 1.00 0.00 C ATOM 532 C ASN A 31 4.884 -0.279 -6.319 1.00 0.00 C ATOM 533 O ASN A 31 5.533 -0.416 -5.282 1.00 0.00 O ATOM 534 CB ASN A 31 6.185 -0.154 -8.541 1.00 0.00 C ATOM 535 CG ASN A 31 5.286 -1.037 -9.382 1.00 0.00 C ATOM 536 OD1 ASN A 31 4.109 -0.774 -9.562 1.00 0.00 O ATOM 537 ND2 ASN A 31 5.788 -2.109 -9.935 1.00 0.00 N ATOM 0 H ASN A 31 7.271 1.601 -7.271 1.00 0.00 H new ATOM 0 HA ASN A 31 4.533 1.076 -7.908 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.703 0.552 -9.191 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.949 -0.770 -8.066 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.197 -2.712 -10.508 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.771 -2.343 -9.794 1.00 0.00 H new ATOM 544 N LEU A 32 3.726 -0.922 -6.517 1.00 0.00 N ATOM 545 CA LEU A 32 3.070 -1.778 -5.515 1.00 0.00 C ATOM 546 C LEU A 32 2.957 -3.259 -5.943 1.00 0.00 C ATOM 547 O LEU A 32 2.516 -4.114 -5.174 1.00 0.00 O ATOM 548 CB LEU A 32 1.703 -1.178 -5.145 1.00 0.00 C ATOM 549 CG LEU A 32 1.736 0.236 -4.535 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.300 0.731 -4.367 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.393 0.276 -3.157 1.00 0.00 C ATOM 0 H LEU A 32 3.208 -0.862 -7.394 1.00 0.00 H new ATOM 0 HA LEU A 32 3.707 -1.795 -4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.084 -1.152 -6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.213 -1.847 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 32 2.319 0.860 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.308 1.732 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.191 0.759 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.243 0.055 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.386 1.299 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.841 -0.367 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.422 -0.075 -3.234 1.00 0.00 H new ATOM 563 N HIS A 33 3.398 -3.592 -7.160 1.00 0.00 N ATOM 564 CA HIS A 33 3.669 -4.939 -7.642 1.00 0.00 C ATOM 565 C HIS A 33 4.751 -5.571 -6.764 1.00 0.00 C ATOM 566 O HIS A 33 5.883 -5.098 -6.679 1.00 0.00 O ATOM 567 CB HIS A 33 4.132 -4.881 -9.104 1.00 0.00 C ATOM 568 CG HIS A 33 3.847 -6.172 -9.816 1.00 0.00 C ATOM 569 ND1 HIS A 33 2.610 -6.590 -10.239 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.742 -7.173 -10.070 1.00 0.00 C ATOM 571 CE1 HIS A 33 2.754 -7.820 -10.761 1.00 0.00 C ATOM 572 NE2 HIS A 33 4.045 -8.205 -10.708 1.00 0.00 N ATOM 0 H HIS A 33 3.584 -2.885 -7.871 1.00 0.00 H new ATOM 0 HA HIS A 33 2.764 -5.544 -7.589 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.627 -4.061 -9.616 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.201 -4.670 -9.142 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.740 -6.063 -10.170 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.794 -7.168 -9.824 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.949 -8.416 -11.166 1.00 0.00 H new ATOM 580 N GLY A 34 4.374 -6.633 -6.075 1.00 0.00 N ATOM 581 CA GLY A 34 5.278 -7.421 -5.241 1.00 0.00 C ATOM 582 C GLY A 34 5.680 -6.712 -3.948 1.00 0.00 C ATOM 583 O GLY A 34 6.823 -6.851 -3.506 1.00 0.00 O ATOM 0 H GLY A 34 3.416 -6.982 -6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.800 -8.369 -4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.176 -7.656 -5.812 1.00 0.00 H new ATOM 587 N ILE A 35 4.777 -5.939 -3.332 1.00 0.00 N ATOM 588 CA ILE A 35 4.947 -5.530 -1.929 1.00 0.00 C ATOM 589 C ILE A 35 4.775 -6.712 -0.968 1.00 0.00 C ATOM 590 O ILE A 35 5.552 -6.831 -0.029 1.00 0.00 O ATOM 591 CB ILE A 35 4.044 -4.341 -1.533 1.00 0.00 C ATOM 592 CG1 ILE A 35 2.529 -4.552 -1.783 1.00 0.00 C ATOM 593 CG2 ILE A 35 4.547 -3.086 -2.259 1.00 0.00 C ATOM 594 CD1 ILE A 35 1.766 -4.849 -0.488 1.00 0.00 C ATOM 0 H ILE A 35 3.929 -5.586 -3.776 1.00 0.00 H new ATOM 0 HA ILE A 35 5.974 -5.177 -1.840 1.00 0.00 H new ATOM 0 HB ILE A 35 4.123 -4.234 -0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.112 -3.661 -2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.389 -5.376 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.921 -2.235 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.577 -2.885 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.501 -3.246 -3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.709 -4.989 -0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.163 -5.755 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.882 -4.014 0.203 1.00 0.00 H new ATOM 606 N PHE A 36 3.803 -7.599 -1.204 1.00 0.00 N ATOM 607 CA PHE A 36 3.486 -8.714 -0.314 1.00 0.00 C ATOM 608 C PHE A 36 4.661 -9.695 -0.185 1.00 0.00 C ATOM 609 O PHE A 36 5.184 -10.202 -1.176 1.00 0.00 O ATOM 610 CB PHE A 36 2.186 -9.409 -0.744 1.00 0.00 C ATOM 611 CG PHE A 36 0.940 -8.580 -0.478 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.518 -8.354 0.849 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.198 -8.032 -1.542 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.624 -7.576 1.108 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.942 -7.251 -1.283 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.354 -7.025 0.040 1.00 0.00 C ATOM 0 H PHE A 36 3.207 -7.560 -2.031 1.00 0.00 H new ATOM 0 HA PHE A 36 3.318 -8.307 0.683 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.240 -9.638 -1.808 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.100 -10.360 -0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.075 -8.781 1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.506 -8.212 -2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.940 -7.402 2.126 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.501 -6.824 -2.103 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.232 -6.428 0.237 1.00 0.00 H new ATOM 626 N GLY A 37 5.088 -9.926 1.055 1.00 0.00 N ATOM 627 CA GLY A 37 6.225 -10.777 1.430 1.00 0.00 C ATOM 628 C GLY A 37 7.570 -10.042 1.501 1.00 0.00 C ATOM 629 O GLY A 37 8.594 -10.654 1.806 1.00 0.00 O ATOM 0 H GLY A 37 4.632 -9.508 1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.020 -11.229 2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.307 -11.591 0.710 1.00 0.00 H new ATOM 633 N ARG A 38 7.588 -8.730 1.233 1.00 0.00 N ATOM 634 CA ARG A 38 8.756 -7.830 1.259 1.00 0.00 C ATOM 635 C ARG A 38 8.605 -6.792 2.383 1.00 0.00 C ATOM 636 O ARG A 38 7.548 -6.718 3.004 1.00 0.00 O ATOM 637 CB ARG A 38 8.914 -7.293 -0.171 1.00 0.00 C ATOM 638 CG ARG A 38 10.079 -6.356 -0.394 1.00 0.00 C ATOM 639 CD ARG A 38 10.552 -6.416 -1.843 1.00 0.00 C ATOM 640 NE ARG A 38 9.519 -6.068 -2.845 1.00 0.00 N ATOM 641 CZ ARG A 38 9.734 -5.423 -3.976 1.00 0.00 C ATOM 642 NH1 ARG A 38 10.873 -4.872 -4.262 1.00 0.00 N ATOM 643 NH2 ARG A 38 8.802 -5.300 -4.868 1.00 0.00 N ATOM 0 H ARG A 38 6.735 -8.234 0.976 1.00 0.00 H new ATOM 0 HA ARG A 38 9.693 -8.323 1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.018 -8.141 -0.848 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.996 -6.775 -0.448 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.785 -5.337 -0.145 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.899 -6.623 0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.398 -5.739 -1.963 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.916 -7.422 -2.051 1.00 0.00 H new ATOM 0 HE ARG A 38 8.560 -6.351 -2.644 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.647 -4.928 -3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.995 -4.383 -5.149 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.881 -5.706 -4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.989 -4.797 -5.736 1.00 0.00 H new ATOM 657 N HIS A 39 9.660 -6.044 2.714 1.00 0.00 N ATOM 658 CA HIS A 39 9.675 -5.212 3.934 1.00 0.00 C ATOM 659 C HIS A 39 9.537 -3.709 3.658 1.00 0.00 C ATOM 660 O HIS A 39 9.922 -3.245 2.586 1.00 0.00 O ATOM 661 CB HIS A 39 10.908 -5.515 4.792 1.00 0.00 C ATOM 662 CG HIS A 39 10.925 -6.943 5.255 1.00 0.00 C ATOM 663 ND1 HIS A 39 11.384 -8.027 4.542 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.342 -7.405 6.398 1.00 0.00 C ATOM 665 CE1 HIS A 39 11.048 -9.132 5.231 1.00 0.00 C ATOM 666 NE2 HIS A 39 10.408 -8.802 6.363 1.00 0.00 N ATOM 0 H HIS A 39 10.515 -5.993 2.161 1.00 0.00 H new ATOM 0 HA HIS A 39 8.784 -5.488 4.498 1.00 0.00 H new ATOM 0 HB2 HIS A 39 11.811 -5.308 4.218 1.00 0.00 H new ATOM 0 HB3 HIS A 39 10.921 -4.852 5.657 1.00 0.00 H new ATOM 0 HD1 HIS A 39 11.886 -7.998 3.655 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.910 -6.804 7.184 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.263 -10.143 4.917 1.00 0.00 H new ATOM 674 N SER A 40 8.999 -2.941 4.618 1.00 0.00 N ATOM 675 CA SER A 40 8.767 -1.501 4.435 1.00 0.00 C ATOM 676 C SER A 40 10.045 -0.725 4.097 1.00 0.00 C ATOM 677 O SER A 40 10.951 -0.585 4.923 1.00 0.00 O ATOM 678 CB SER A 40 7.977 -0.849 5.575 1.00 0.00 C ATOM 679 OG SER A 40 8.693 -0.779 6.790 1.00 0.00 O ATOM 0 H SER A 40 8.716 -3.295 5.532 1.00 0.00 H new ATOM 0 HA SER A 40 8.123 -1.436 3.558 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.687 0.158 5.275 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.057 -1.411 5.737 1.00 0.00 H new ATOM 0 HG SER A 40 9.223 0.045 6.810 1.00 0.00 H new ATOM 685 N GLY A 41 10.118 -0.246 2.857 1.00 0.00 N ATOM 686 CA GLY A 41 11.284 0.419 2.286 1.00 0.00 C ATOM 687 C GLY A 41 12.170 -0.475 1.415 1.00 0.00 C ATOM 688 O GLY A 41 13.379 -0.495 1.638 1.00 0.00 O ATOM 0 H GLY A 41 9.340 -0.313 2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.946 1.265 1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.888 0.824 3.098 1.00 0.00 H new ATOM 692 N GLN A 42 11.610 -1.241 0.466 1.00 0.00 N ATOM 693 CA GLN A 42 12.368 -2.206 -0.351 1.00 0.00 C ATOM 694 C GLN A 42 11.987 -2.292 -1.850 1.00 0.00 C ATOM 695 O GLN A 42 12.367 -3.274 -2.498 1.00 0.00 O ATOM 696 CB GLN A 42 12.326 -3.603 0.307 1.00 0.00 C ATOM 697 CG GLN A 42 13.091 -3.683 1.632 1.00 0.00 C ATOM 698 CD GLN A 42 13.435 -5.125 2.014 1.00 0.00 C ATOM 699 OE1 GLN A 42 12.625 -6.043 1.972 1.00 0.00 O ATOM 700 NE2 GLN A 42 14.658 -5.404 2.406 1.00 0.00 N ATOM 0 H GLN A 42 10.615 -1.210 0.242 1.00 0.00 H new ATOM 0 HA GLN A 42 13.384 -1.812 -0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.287 -3.882 0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.741 -4.334 -0.387 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.009 -3.100 1.556 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.492 -3.232 2.423 1.00 0.00 H new ATOM 0 HE21 GLN A 42 15.359 -4.665 2.453 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.906 -6.360 2.663 1.00 0.00 H new ATOM 709 N ALA A 43 11.245 -1.347 -2.445 1.00 0.00 N ATOM 710 CA ALA A 43 10.980 -1.363 -3.895 1.00 0.00 C ATOM 711 C ALA A 43 12.257 -1.216 -4.757 1.00 0.00 C ATOM 712 O ALA A 43 13.307 -0.769 -4.288 1.00 0.00 O ATOM 713 CB ALA A 43 9.934 -0.310 -4.261 1.00 0.00 C ATOM 0 H ALA A 43 10.818 -0.564 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 43 10.582 -2.351 -4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.751 -0.337 -5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.006 -0.519 -3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.298 0.678 -3.979 1.00 0.00 H new ATOM 719 N GLU A 44 12.162 -1.646 -6.019 1.00 0.00 N ATOM 720 CA GLU A 44 13.259 -1.870 -6.968 1.00 0.00 C ATOM 721 C GLU A 44 14.142 -0.626 -7.228 1.00 0.00 C ATOM 722 O GLU A 44 13.967 0.087 -8.216 1.00 0.00 O ATOM 723 CB GLU A 44 12.710 -2.464 -8.288 1.00 0.00 C ATOM 724 CG GLU A 44 12.264 -3.940 -8.215 1.00 0.00 C ATOM 725 CD GLU A 44 10.803 -4.140 -7.777 1.00 0.00 C ATOM 726 OE1 GLU A 44 10.463 -3.711 -6.648 1.00 0.00 O ATOM 727 OE2 GLU A 44 10.028 -4.776 -8.522 1.00 0.00 O ATOM 0 H GLU A 44 11.255 -1.862 -6.433 1.00 0.00 H new ATOM 0 HA GLU A 44 13.928 -2.591 -6.497 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.862 -1.861 -8.613 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.479 -2.372 -9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.403 -4.398 -9.194 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.915 -4.470 -7.520 1.00 0.00 H new ATOM 734 N GLY A 45 15.136 -0.393 -6.361 1.00 0.00 N ATOM 735 CA GLY A 45 16.166 0.643 -6.535 1.00 0.00 C ATOM 736 C GLY A 45 15.822 2.019 -5.951 1.00 0.00 C ATOM 737 O GLY A 45 16.446 3.006 -6.333 1.00 0.00 O ATOM 0 H GLY A 45 15.250 -0.930 -5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 45 17.090 0.293 -6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.364 0.759 -7.601 1.00 0.00 H new ATOM 741 N TYR A 46 14.834 2.105 -5.053 1.00 0.00 N ATOM 742 CA TYR A 46 14.247 3.366 -4.590 1.00 0.00 C ATOM 743 C TYR A 46 14.418 3.593 -3.078 1.00 0.00 C ATOM 744 O TYR A 46 14.137 2.710 -2.272 1.00 0.00 O ATOM 745 CB TYR A 46 12.784 3.390 -5.040 1.00 0.00 C ATOM 746 CG TYR A 46 12.153 4.768 -5.017 1.00 0.00 C ATOM 747 CD1 TYR A 46 11.625 5.285 -3.821 1.00 0.00 C ATOM 748 CD2 TYR A 46 12.062 5.516 -6.209 1.00 0.00 C ATOM 749 CE1 TYR A 46 10.961 6.526 -3.824 1.00 0.00 C ATOM 750 CE2 TYR A 46 11.393 6.754 -6.218 1.00 0.00 C ATOM 751 CZ TYR A 46 10.827 7.253 -5.023 1.00 0.00 C ATOM 752 OH TYR A 46 10.157 8.434 -5.042 1.00 0.00 O ATOM 0 H TYR A 46 14.412 1.283 -4.620 1.00 0.00 H new ATOM 0 HA TYR A 46 14.781 4.204 -5.038 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.719 2.989 -6.052 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.206 2.726 -4.397 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.729 4.730 -2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 46 12.507 5.138 -7.117 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.554 6.922 -2.905 1.00 0.00 H new ATOM 0 HE2 TYR A 46 11.312 7.320 -7.134 1.00 0.00 H new ATOM 0 HH TYR A 46 10.163 8.799 -5.951 1.00 0.00 H new ATOM 762 N SER A 47 14.852 4.798 -2.695 1.00 0.00 N ATOM 763 CA SER A 47 14.993 5.230 -1.295 1.00 0.00 C ATOM 764 C SER A 47 13.708 5.856 -0.748 1.00 0.00 C ATOM 765 O SER A 47 13.010 6.595 -1.439 1.00 0.00 O ATOM 766 CB SER A 47 16.121 6.257 -1.156 1.00 0.00 C ATOM 767 OG SER A 47 17.371 5.628 -1.356 1.00 0.00 O ATOM 0 H SER A 47 15.122 5.519 -3.363 1.00 0.00 H new ATOM 0 HA SER A 47 15.220 4.332 -0.720 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.987 7.058 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 47 16.088 6.715 -0.167 1.00 0.00 H new ATOM 0 HG SER A 47 18.088 6.290 -1.268 1.00 0.00 H new ATOM 773 N TYR A 48 13.454 5.609 0.535 1.00 0.00 N ATOM 774 CA TYR A 48 12.269 6.017 1.287 1.00 0.00 C ATOM 775 C TYR A 48 12.666 6.964 2.435 1.00 0.00 C ATOM 776 O TYR A 48 13.857 7.196 2.655 1.00 0.00 O ATOM 777 CB TYR A 48 11.627 4.752 1.871 1.00 0.00 C ATOM 778 CG TYR A 48 11.036 3.759 0.891 1.00 0.00 C ATOM 779 CD1 TYR A 48 11.843 3.036 -0.011 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.661 3.476 0.973 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.276 2.047 -0.835 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.098 2.472 0.175 1.00 0.00 C ATOM 783 CZ TYR A 48 9.912 1.740 -0.717 1.00 0.00 C ATOM 784 OH TYR A 48 9.420 0.702 -1.428 1.00 0.00 O ATOM 0 H TYR A 48 14.111 5.086 1.114 1.00 0.00 H new ATOM 0 HA TYR A 48 11.573 6.541 0.632 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.381 4.234 2.464 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.838 5.060 2.557 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.901 3.242 -0.070 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.037 4.035 1.654 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.888 1.526 -1.556 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.042 2.258 0.242 1.00 0.00 H new ATOM 0 HH TYR A 48 9.091 0.012 -0.815 1.00 0.00 H new ATOM 794 N THR A 49 11.719 7.469 3.231 1.00 0.00 N ATOM 795 CA THR A 49 12.085 8.095 4.518 1.00 0.00 C ATOM 796 C THR A 49 12.677 7.092 5.507 1.00 0.00 C ATOM 797 O THR A 49 12.265 5.933 5.589 1.00 0.00 O ATOM 798 CB THR A 49 10.927 8.825 5.213 1.00 0.00 C ATOM 799 OG1 THR A 49 9.846 7.984 5.532 1.00 0.00 O ATOM 800 CG2 THR A 49 10.400 9.961 4.356 1.00 0.00 C ATOM 0 H THR A 49 10.721 7.462 3.022 1.00 0.00 H new ATOM 0 HA THR A 49 12.836 8.834 4.238 1.00 0.00 H new ATOM 0 HB THR A 49 11.352 9.207 6.141 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.395 8.321 6.334 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.581 10.459 4.875 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.200 10.678 4.170 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.040 9.564 3.407 1.00 0.00 H new ATOM 808 N ASP A 50 13.598 7.581 6.344 1.00 0.00 N ATOM 809 CA ASP A 50 14.214 6.817 7.433 1.00 0.00 C ATOM 810 C ASP A 50 13.157 6.140 8.320 1.00 0.00 C ATOM 811 O ASP A 50 13.228 4.934 8.528 1.00 0.00 O ATOM 812 CB ASP A 50 15.137 7.742 8.239 1.00 0.00 C ATOM 813 CG ASP A 50 15.877 6.992 9.349 1.00 0.00 C ATOM 814 OD1 ASP A 50 16.808 6.208 9.059 1.00 0.00 O ATOM 815 OD2 ASP A 50 15.542 7.161 10.538 1.00 0.00 O ATOM 0 H ASP A 50 13.943 8.539 6.282 1.00 0.00 H new ATOM 0 HA ASP A 50 14.812 6.011 7.009 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.862 8.204 7.569 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.549 8.548 8.677 1.00 0.00 H new ATOM 820 N ALA A 51 12.124 6.876 8.748 1.00 0.00 N ATOM 821 CA ALA A 51 10.997 6.349 9.521 1.00 0.00 C ATOM 822 C ALA A 51 10.307 5.121 8.888 1.00 0.00 C ATOM 823 O ALA A 51 9.956 4.184 9.607 1.00 0.00 O ATOM 824 CB ALA A 51 9.993 7.486 9.748 1.00 0.00 C ATOM 0 H ALA A 51 12.049 7.876 8.562 1.00 0.00 H new ATOM 0 HA ALA A 51 11.395 5.982 10.467 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.145 7.113 10.323 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.476 8.294 10.297 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.643 7.860 8.786 1.00 0.00 H new ATOM 830 N ASN A 52 10.123 5.097 7.561 1.00 0.00 N ATOM 831 CA ASN A 52 9.540 3.954 6.849 1.00 0.00 C ATOM 832 C ASN A 52 10.480 2.742 6.821 1.00 0.00 C ATOM 833 O ASN A 52 10.044 1.613 7.045 1.00 0.00 O ATOM 834 CB ASN A 52 9.129 4.395 5.437 1.00 0.00 C ATOM 835 CG ASN A 52 8.384 3.292 4.707 1.00 0.00 C ATOM 836 OD1 ASN A 52 7.186 3.136 4.849 1.00 0.00 O ATOM 837 ND2 ASN A 52 9.060 2.486 3.924 1.00 0.00 N ATOM 0 H ASN A 52 10.376 5.873 6.950 1.00 0.00 H new ATOM 0 HA ASN A 52 8.653 3.624 7.390 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.498 5.282 5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.016 4.675 4.869 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.581 1.730 3.435 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.065 2.616 3.804 1.00 0.00 H new ATOM 844 N ILE A 53 11.775 2.969 6.582 1.00 0.00 N ATOM 845 CA ILE A 53 12.820 1.929 6.542 1.00 0.00 C ATOM 846 C ILE A 53 13.053 1.314 7.921 1.00 0.00 C ATOM 847 O ILE A 53 12.975 0.100 8.072 1.00 0.00 O ATOM 848 CB ILE A 53 14.138 2.503 5.992 1.00 0.00 C ATOM 849 CG1 ILE A 53 13.955 3.062 4.562 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.260 1.442 5.983 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.071 4.016 4.120 1.00 0.00 C ATOM 0 H ILE A 53 12.140 3.905 6.406 1.00 0.00 H new ATOM 0 HA ILE A 53 12.470 1.141 5.875 1.00 0.00 H new ATOM 0 HB ILE A 53 14.427 3.315 6.659 1.00 0.00 H new ATOM 0 HG12 ILE A 53 13.904 2.229 3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.000 3.585 4.506 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.175 1.884 5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.436 1.090 6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.962 0.603 5.355 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.871 4.365 3.107 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.110 4.869 4.797 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.027 3.493 4.141 1.00 0.00 H new ATOM 863 N LYS A 54 13.270 2.151 8.943 1.00 0.00 N ATOM 864 CA LYS A 54 13.405 1.793 10.364 1.00 0.00 C ATOM 865 C LYS A 54 12.226 0.973 10.895 1.00 0.00 C ATOM 866 O LYS A 54 12.343 0.368 11.957 1.00 0.00 O ATOM 867 CB LYS A 54 13.564 3.069 11.204 1.00 0.00 C ATOM 868 CG LYS A 54 14.889 3.806 10.954 1.00 0.00 C ATOM 869 CD LYS A 54 16.079 3.236 11.741 1.00 0.00 C ATOM 870 CE LYS A 54 17.395 3.942 11.376 1.00 0.00 C ATOM 871 NZ LYS A 54 17.352 5.406 11.615 1.00 0.00 N ATOM 0 H LYS A 54 13.362 3.156 8.793 1.00 0.00 H new ATOM 0 HA LYS A 54 14.291 1.164 10.448 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.736 3.743 10.986 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.495 2.810 12.261 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.119 3.768 9.889 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.763 4.857 11.215 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.893 3.343 12.810 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.171 2.169 11.539 1.00 0.00 H new ATOM 0 HE2 LYS A 54 18.208 3.508 11.958 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.621 3.757 10.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.486 5.909 10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.431 5.664 12.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 18.110 5.672 12.276 1.00 0.00 H new ATOM 885 N LYS A 55 11.094 0.956 10.178 1.00 0.00 N ATOM 886 CA LYS A 55 9.942 0.098 10.523 1.00 0.00 C ATOM 887 C LYS A 55 10.074 -1.352 10.026 1.00 0.00 C ATOM 888 O LYS A 55 9.488 -2.231 10.650 1.00 0.00 O ATOM 889 CB LYS A 55 8.625 0.747 10.043 1.00 0.00 C ATOM 890 CG LYS A 55 7.481 0.513 11.046 1.00 0.00 C ATOM 891 CD LYS A 55 7.583 1.472 12.246 1.00 0.00 C ATOM 892 CE LYS A 55 6.830 0.973 13.485 1.00 0.00 C ATOM 893 NZ LYS A 55 5.371 0.856 13.251 1.00 0.00 N ATOM 0 H LYS A 55 10.947 1.530 9.348 1.00 0.00 H new ATOM 0 HA LYS A 55 9.926 0.025 11.610 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.775 1.818 9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.349 0.336 9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.522 0.653 10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.509 -0.518 11.399 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.633 1.615 12.500 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.190 2.447 11.958 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.227 0.002 13.781 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.008 1.657 14.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.918 0.436 14.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.970 1.800 13.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.200 0.250 12.423 1.00 0.00 H new ATOM 907 N ASN A 56 10.793 -1.549 8.912 1.00 0.00 N ATOM 908 CA ASN A 56 10.912 -2.738 8.052 1.00 0.00 C ATOM 909 C ASN A 56 9.801 -3.779 8.281 1.00 0.00 C ATOM 910 O ASN A 56 10.040 -4.928 8.643 1.00 0.00 O ATOM 911 CB ASN A 56 12.373 -3.252 8.081 1.00 0.00 C ATOM 912 CG ASN A 56 12.991 -3.455 6.701 1.00 0.00 C ATOM 913 OD1 ASN A 56 13.622 -4.455 6.412 1.00 0.00 O ATOM 914 ND2 ASN A 56 12.884 -2.517 5.788 1.00 0.00 N ATOM 0 H ASN A 56 11.372 -0.792 8.549 1.00 0.00 H new ATOM 0 HA ASN A 56 10.718 -2.462 7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.985 -2.544 8.640 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.403 -4.197 8.623 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.322 -2.642 4.875 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.363 -1.664 5.992 1.00 0.00 H new ATOM 921 N VAL A 57 8.555 -3.344 8.075 1.00 0.00 N ATOM 922 CA VAL A 57 7.359 -4.159 8.281 1.00 0.00 C ATOM 923 C VAL A 57 7.234 -5.166 7.154 1.00 0.00 C ATOM 924 O VAL A 57 7.237 -4.773 5.991 1.00 0.00 O ATOM 925 CB VAL A 57 6.089 -3.289 8.448 1.00 0.00 C ATOM 926 CG1 VAL A 57 5.120 -3.203 7.267 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.307 -3.838 9.641 1.00 0.00 C ATOM 0 H VAL A 57 8.348 -2.398 7.755 1.00 0.00 H new ATOM 0 HA VAL A 57 7.461 -4.708 9.217 1.00 0.00 H new ATOM 0 HB VAL A 57 6.470 -2.274 8.564 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.280 -2.560 7.531 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.637 -2.788 6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.751 -4.200 7.025 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.403 -3.246 9.787 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.034 -4.876 9.451 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.925 -3.784 10.537 1.00 0.00 H new ATOM 937 N LEU A 58 7.144 -6.452 7.482 1.00 0.00 N ATOM 938 CA LEU A 58 6.812 -7.486 6.506 1.00 0.00 C ATOM 939 C LEU A 58 5.382 -7.242 5.996 1.00 0.00 C ATOM 940 O LEU A 58 4.404 -7.416 6.730 1.00 0.00 O ATOM 941 CB LEU A 58 7.028 -8.870 7.141 1.00 0.00 C ATOM 942 CG LEU A 58 7.164 -10.011 6.112 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.803 -11.234 6.776 1.00 0.00 C ATOM 944 CD2 LEU A 58 5.817 -10.446 5.533 1.00 0.00 C ATOM 0 H LEU A 58 7.298 -6.805 8.426 1.00 0.00 H new ATOM 0 HA LEU A 58 7.466 -7.448 5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.926 -8.840 7.758 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.192 -9.090 7.805 1.00 0.00 H new ATOM 0 HG LEU A 58 7.783 -9.626 5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.897 -12.037 6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.791 -10.969 7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.177 -11.568 7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.973 -11.251 4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.171 -10.797 6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.346 -9.600 5.033 1.00 0.00 H new ATOM 956 N TRP A 59 5.271 -6.739 4.768 1.00 0.00 N ATOM 957 CA TRP A 59 4.002 -6.508 4.087 1.00 0.00 C ATOM 958 C TRP A 59 3.240 -7.823 3.889 1.00 0.00 C ATOM 959 O TRP A 59 3.523 -8.594 2.979 1.00 0.00 O ATOM 960 CB TRP A 59 4.253 -5.769 2.767 1.00 0.00 C ATOM 961 CG TRP A 59 4.733 -4.353 2.897 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.839 -3.826 2.313 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.151 -3.276 3.687 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.972 -2.502 2.684 1.00 0.00 N ATOM 965 CE2 TRP A 59 5.002 -2.138 3.593 1.00 0.00 C ATOM 966 CE3 TRP A 59 3.007 -3.153 4.508 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.769 -0.961 4.314 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.756 -1.981 5.239 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.635 -0.882 5.147 1.00 0.00 C ATOM 0 H TRP A 59 6.081 -6.475 4.207 1.00 0.00 H new ATOM 0 HA TRP A 59 3.367 -5.875 4.706 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.988 -6.331 2.191 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.328 -5.769 2.190 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.512 -4.360 1.659 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.695 -1.875 2.331 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.312 -3.977 4.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.448 -0.125 4.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.885 -1.921 5.875 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.440 0.017 5.713 1.00 0.00 H new ATOM 980 N ASP A 60 2.273 -8.073 4.767 1.00 0.00 N ATOM 981 CA ASP A 60 1.376 -9.228 4.765 1.00 0.00 C ATOM 982 C ASP A 60 -0.089 -8.773 4.848 1.00 0.00 C ATOM 983 O ASP A 60 -0.373 -7.622 5.201 1.00 0.00 O ATOM 984 CB ASP A 60 1.752 -10.165 5.929 1.00 0.00 C ATOM 985 CG ASP A 60 0.939 -11.467 5.928 1.00 0.00 C ATOM 986 OD1 ASP A 60 0.638 -11.952 4.815 1.00 0.00 O ATOM 987 OD2 ASP A 60 0.567 -11.922 7.030 1.00 0.00 O ATOM 0 H ASP A 60 2.082 -7.440 5.544 1.00 0.00 H new ATOM 0 HA ASP A 60 1.487 -9.779 3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.814 -10.404 5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.596 -9.645 6.874 1.00 0.00 H new ATOM 992 N GLU A 61 -0.999 -9.695 4.540 1.00 0.00 N ATOM 993 CA GLU A 61 -2.451 -9.556 4.379 1.00 0.00 C ATOM 994 C GLU A 61 -3.112 -8.733 5.504 1.00 0.00 C ATOM 995 O GLU A 61 -3.699 -7.678 5.244 1.00 0.00 O ATOM 996 CB GLU A 61 -3.043 -10.977 4.262 1.00 0.00 C ATOM 997 CG GLU A 61 -4.490 -11.002 3.754 1.00 0.00 C ATOM 998 CD GLU A 61 -4.596 -11.269 2.246 1.00 0.00 C ATOM 999 OE1 GLU A 61 -4.045 -10.454 1.472 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -5.223 -12.289 1.863 1.00 0.00 O ATOM 0 H GLU A 61 -0.710 -10.660 4.380 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.661 -8.985 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.421 -11.566 3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.002 -11.460 5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.044 -11.771 4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.965 -10.048 3.982 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.003 -9.171 6.769 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.578 -8.468 7.913 1.00 0.00 C ATOM 1009 C ASN A 62 -2.886 -7.120 8.202 1.00 0.00 C ATOM 1010 O ASN A 62 -3.554 -6.112 8.446 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.650 -9.430 9.126 1.00 0.00 C ATOM 1012 CG ASN A 62 -2.366 -9.679 9.918 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -1.254 -9.474 9.470 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -2.465 -10.115 11.155 1.00 0.00 N ATOM 0 H ASN A 62 -2.510 -10.028 7.021 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.600 -8.175 7.673 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.399 -9.042 9.816 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.014 -10.393 8.768 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.623 -10.272 11.709 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.383 -10.296 11.560 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.558 -7.089 8.149 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.691 -6.005 8.594 1.00 0.00 C ATOM 1023 C ASN A 63 -0.763 -4.755 7.697 1.00 0.00 C ATOM 1024 O ASN A 63 -0.873 -3.634 8.202 1.00 0.00 O ATOM 1025 CB ASN A 63 0.713 -6.615 8.690 1.00 0.00 C ATOM 1026 CG ASN A 63 1.764 -5.577 9.003 1.00 0.00 C ATOM 1027 OD1 ASN A 63 1.639 -4.745 9.888 1.00 0.00 O ATOM 1028 ND2 ASN A 63 2.843 -5.564 8.267 1.00 0.00 N ATOM 0 H ASN A 63 -1.025 -7.871 7.769 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.012 -5.618 9.561 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.722 -7.383 9.463 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.959 -7.107 7.749 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.567 -4.865 8.435 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.962 -6.253 7.524 1.00 0.00 H new ATOM 1035 N MET A 64 -0.771 -4.924 6.366 1.00 0.00 N ATOM 1036 CA MET A 64 -1.096 -3.821 5.444 1.00 0.00 C ATOM 1037 C MET A 64 -2.444 -3.178 5.803 1.00 0.00 C ATOM 1038 O MET A 64 -2.576 -1.958 5.740 1.00 0.00 O ATOM 1039 CB MET A 64 -1.052 -4.305 3.978 1.00 0.00 C ATOM 1040 CG MET A 64 -1.985 -3.524 3.031 1.00 0.00 C ATOM 1041 SD MET A 64 -1.821 -3.854 1.258 1.00 0.00 S ATOM 1042 CE MET A 64 -0.560 -2.632 0.849 1.00 0.00 C ATOM 0 H MET A 64 -0.558 -5.808 5.904 1.00 0.00 H new ATOM 0 HA MET A 64 -0.338 -3.045 5.552 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.029 -4.225 3.611 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.321 -5.361 3.947 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.015 -3.734 3.321 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.819 -2.459 3.194 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.304 -2.713 -0.207 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.942 -1.632 1.054 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.329 -2.811 1.453 1.00 0.00 H new ATOM 1052 N SER A 65 -3.449 -3.981 6.173 1.00 0.00 N ATOM 1053 CA SER A 65 -4.798 -3.461 6.437 1.00 0.00 C ATOM 1054 C SER A 65 -4.866 -2.531 7.650 1.00 0.00 C ATOM 1055 O SER A 65 -5.623 -1.564 7.608 1.00 0.00 O ATOM 1056 CB SER A 65 -5.847 -4.585 6.518 1.00 0.00 C ATOM 1057 OG SER A 65 -5.957 -5.164 7.799 1.00 0.00 O ATOM 0 H SER A 65 -3.355 -4.989 6.296 1.00 0.00 H new ATOM 0 HA SER A 65 -5.047 -2.844 5.574 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.818 -4.186 6.224 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.591 -5.362 5.798 1.00 0.00 H new ATOM 0 HG SER A 65 -5.182 -5.741 7.965 1.00 0.00 H new ATOM 1063 N GLU A 66 -4.026 -2.746 8.667 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.892 -1.828 9.807 1.00 0.00 C ATOM 1065 C GLU A 66 -3.065 -0.576 9.461 1.00 0.00 C ATOM 1066 O GLU A 66 -3.460 0.550 9.775 1.00 0.00 O ATOM 1067 CB GLU A 66 -3.322 -2.578 11.025 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.591 -1.853 12.353 1.00 0.00 C ATOM 1069 CD GLU A 66 -5.096 -1.769 12.651 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -5.725 -0.799 12.151 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -5.622 -2.682 13.323 1.00 0.00 O ATOM 0 H GLU A 66 -3.418 -3.563 8.725 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.887 -1.464 10.062 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.758 -3.576 11.067 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.247 -2.704 10.897 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.087 -2.378 13.164 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.170 -0.848 12.313 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.967 -0.739 8.708 1.00 0.00 N ATOM 1079 CA TYR A 67 -1.243 0.382 8.097 1.00 0.00 C ATOM 1080 C TYR A 67 -2.184 1.271 7.270 1.00 0.00 C ATOM 1081 O TYR A 67 -2.094 2.487 7.339 1.00 0.00 O ATOM 1082 CB TYR A 67 -0.076 -0.151 7.250 1.00 0.00 C ATOM 1083 CG TYR A 67 0.688 0.901 6.465 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.395 1.895 7.157 1.00 0.00 C ATOM 1085 CD2 TYR A 67 0.717 0.876 5.054 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.116 2.880 6.457 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.467 1.837 4.345 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.167 2.844 5.048 1.00 0.00 C ATOM 1089 OH TYR A 67 2.907 3.764 4.372 1.00 0.00 O ATOM 0 H TYR A 67 -1.558 -1.651 8.507 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.834 1.008 8.890 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.622 -0.669 7.908 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.464 -0.892 6.551 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.386 1.905 8.237 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.164 0.120 4.517 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.629 3.662 6.997 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.507 1.804 3.266 1.00 0.00 H new ATOM 0 HH TYR A 67 2.349 4.199 3.694 1.00 0.00 H new ATOM 1099 N LEU A 68 -3.136 0.702 6.531 1.00 0.00 N ATOM 1100 CA LEU A 68 -4.138 1.453 5.771 1.00 0.00 C ATOM 1101 C LEU A 68 -5.325 1.980 6.612 1.00 0.00 C ATOM 1102 O LEU A 68 -6.062 2.829 6.103 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.578 0.614 4.557 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.459 0.371 3.524 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -3.978 -0.544 2.418 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -2.942 1.659 2.869 1.00 0.00 C ATOM 0 H LEU A 68 -3.235 -0.309 6.441 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.666 2.371 5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.949 -0.349 4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.411 1.116 4.064 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.631 -0.080 4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.188 -0.716 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.288 -1.496 2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.830 -0.074 1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.157 1.414 2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.761 2.158 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.540 2.321 3.636 1.00 0.00 H new ATOM 1118 N THR A 69 -5.487 1.574 7.881 1.00 0.00 N ATOM 1119 CA THR A 69 -6.343 2.273 8.863 1.00 0.00 C ATOM 1120 C THR A 69 -5.768 3.650 9.183 1.00 0.00 C ATOM 1121 O THR A 69 -6.447 4.664 9.025 1.00 0.00 O ATOM 1122 CB THR A 69 -6.498 1.520 10.192 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.796 0.163 10.016 1.00 0.00 O ATOM 1124 CG2 THR A 69 -7.605 2.095 11.079 1.00 0.00 C ATOM 0 H THR A 69 -5.027 0.747 8.261 1.00 0.00 H new ATOM 0 HA THR A 69 -7.323 2.343 8.392 1.00 0.00 H new ATOM 0 HB THR A 69 -5.526 1.640 10.671 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.817 -0.283 10.888 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.666 1.521 12.003 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.380 3.136 11.313 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.558 2.039 10.554 1.00 0.00 H new ATOM 1132 N ASN A 70 -4.523 3.682 9.669 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.841 4.892 10.128 1.00 0.00 C ATOM 1134 C ASN A 70 -2.335 4.852 9.770 1.00 0.00 C ATOM 1135 O ASN A 70 -1.487 4.613 10.639 1.00 0.00 O ATOM 1136 CB ASN A 70 -4.112 5.067 11.636 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.760 6.461 12.122 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.834 7.113 11.664 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.490 6.986 13.082 1.00 0.00 N ATOM 0 H ASN A 70 -3.948 2.844 9.755 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.233 5.770 9.614 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.164 4.867 11.840 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.534 4.332 12.195 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.278 7.921 13.430 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.268 6.458 13.478 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.965 5.128 8.503 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.581 4.985 8.042 1.00 0.00 C ATOM 1148 C PRO A 71 0.324 6.016 8.709 1.00 0.00 C ATOM 1149 O PRO A 71 1.456 5.724 9.086 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.623 5.149 6.514 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.931 5.897 6.248 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.845 5.490 7.401 1.00 0.00 C ATOM 0 HA PRO A 71 -0.164 4.014 8.309 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.237 5.711 6.151 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.608 4.183 6.010 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.774 6.975 6.227 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.359 5.618 5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.506 6.310 7.683 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.481 4.651 7.118 1.00 0.00 H new ATOM 1160 N LYS A 72 -0.208 7.230 8.900 1.00 0.00 N ATOM 1161 CA LYS A 72 0.492 8.409 9.425 1.00 0.00 C ATOM 1162 C LYS A 72 0.844 8.307 10.915 1.00 0.00 C ATOM 1163 O LYS A 72 1.767 8.992 11.349 1.00 0.00 O ATOM 1164 CB LYS A 72 -0.355 9.648 9.087 1.00 0.00 C ATOM 1165 CG LYS A 72 0.444 10.961 9.174 1.00 0.00 C ATOM 1166 CD LYS A 72 -0.304 12.153 8.555 1.00 0.00 C ATOM 1167 CE LYS A 72 -0.322 12.075 7.019 1.00 0.00 C ATOM 1168 NZ LYS A 72 -1.066 13.206 6.414 1.00 0.00 N ATOM 0 H LYS A 72 -1.185 7.426 8.682 1.00 0.00 H new ATOM 0 HA LYS A 72 1.467 8.487 8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.761 9.541 8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.204 9.699 9.769 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.664 11.179 10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.400 10.834 8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.327 12.176 8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.171 13.083 8.867 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.702 12.072 6.644 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.777 11.134 6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.562 12.878 5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.759 13.572 7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.400 13.962 6.158 1.00 0.00 H new ATOM 1182 N LYS A 73 0.175 7.434 11.686 1.00 0.00 N ATOM 1183 CA LYS A 73 0.599 7.057 13.047 1.00 0.00 C ATOM 1184 C LYS A 73 1.326 5.710 13.107 1.00 0.00 C ATOM 1185 O LYS A 73 2.179 5.555 13.974 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.592 7.136 14.018 1.00 0.00 C ATOM 1187 CG LYS A 73 -0.117 7.231 15.479 1.00 0.00 C ATOM 1188 CD LYS A 73 -1.285 7.405 16.460 1.00 0.00 C ATOM 1189 CE LYS A 73 -0.791 7.455 17.915 1.00 0.00 C ATOM 1190 NZ LYS A 73 -0.076 8.718 18.235 1.00 0.00 N ATOM 0 H LYS A 73 -0.679 6.967 11.382 1.00 0.00 H new ATOM 0 HA LYS A 73 1.345 7.784 13.368 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.205 8.004 13.775 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.223 6.256 13.895 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.440 6.331 15.737 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.570 8.071 15.582 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.826 8.322 16.226 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.988 6.581 16.341 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.642 7.344 18.587 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.127 6.610 18.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.235 8.699 19.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.753 8.815 17.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.715 9.525 18.088 1.00 0.00 H new ATOM 1204 N TYR A 74 1.072 4.759 12.199 1.00 0.00 N ATOM 1205 CA TYR A 74 1.888 3.539 12.091 1.00 0.00 C ATOM 1206 C TYR A 74 3.364 3.864 11.794 1.00 0.00 C ATOM 1207 O TYR A 74 4.263 3.242 12.368 1.00 0.00 O ATOM 1208 CB TYR A 74 1.303 2.621 11.004 1.00 0.00 C ATOM 1209 CG TYR A 74 1.692 1.149 11.109 1.00 0.00 C ATOM 1210 CD1 TYR A 74 3.012 0.713 10.854 1.00 0.00 C ATOM 1211 CD2 TYR A 74 0.709 0.201 11.454 1.00 0.00 C ATOM 1212 CE1 TYR A 74 3.355 -0.648 10.994 1.00 0.00 C ATOM 1213 CE2 TYR A 74 1.040 -1.163 11.573 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.366 -1.589 11.362 1.00 0.00 C ATOM 1215 OH TYR A 74 2.706 -2.891 11.543 1.00 0.00 O ATOM 0 H TYR A 74 0.307 4.810 11.527 1.00 0.00 H new ATOM 0 HA TYR A 74 1.861 3.024 13.051 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.216 2.695 11.037 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.619 2.994 10.030 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.763 1.427 10.550 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.307 0.523 11.629 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.371 -0.971 10.820 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.276 -1.883 11.826 1.00 0.00 H new ATOM 0 HH TYR A 74 2.338 -3.430 10.812 1.00 0.00 H new ATOM 1225 N ILE A 75 3.607 4.838 10.911 1.00 0.00 N ATOM 1226 CA ILE A 75 4.930 5.320 10.506 1.00 0.00 C ATOM 1227 C ILE A 75 4.952 6.859 10.633 1.00 0.00 C ATOM 1228 O ILE A 75 4.712 7.563 9.650 1.00 0.00 O ATOM 1229 CB ILE A 75 5.297 4.814 9.088 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.105 3.286 8.956 1.00 0.00 C ATOM 1231 CG2 ILE A 75 6.758 5.192 8.790 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.553 2.670 7.625 1.00 0.00 C ATOM 0 H ILE A 75 2.852 5.334 10.438 1.00 0.00 H new ATOM 0 HA ILE A 75 5.700 4.917 11.163 1.00 0.00 H new ATOM 0 HB ILE A 75 4.630 5.286 8.367 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.653 2.799 9.763 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.050 3.057 9.104 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.029 4.841 7.794 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.870 6.275 8.836 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.412 4.728 9.528 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.373 1.595 7.643 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.989 3.119 6.808 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.617 2.857 7.477 1.00 0.00 H new ATOM 1244 N PRO A 76 5.206 7.410 11.834 1.00 0.00 N ATOM 1245 CA PRO A 76 5.234 8.855 12.045 1.00 0.00 C ATOM 1246 C PRO A 76 6.395 9.467 11.251 1.00 0.00 C ATOM 1247 O PRO A 76 7.546 9.091 11.441 1.00 0.00 O ATOM 1248 CB PRO A 76 5.358 9.051 13.559 1.00 0.00 C ATOM 1249 CG PRO A 76 6.056 7.776 14.031 1.00 0.00 C ATOM 1250 CD PRO A 76 5.539 6.708 13.068 1.00 0.00 C ATOM 0 HA PRO A 76 4.337 9.361 11.688 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.940 9.940 13.802 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.382 9.171 14.029 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.141 7.870 13.981 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.804 7.540 15.065 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.295 5.943 12.890 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.665 6.203 13.478 1.00 0.00 H new ATOM 1258 N GLY A 77 6.089 10.372 10.318 1.00 0.00 N ATOM 1259 CA GLY A 77 7.079 10.927 9.386 1.00 0.00 C ATOM 1260 C GLY A 77 7.228 10.149 8.072 1.00 0.00 C ATOM 1261 O GLY A 77 8.120 10.455 7.282 1.00 0.00 O ATOM 0 H GLY A 77 5.148 10.742 10.186 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.803 11.956 9.154 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.048 10.961 9.884 1.00 0.00 H new ATOM 1265 N THR A 78 6.370 9.160 7.789 1.00 0.00 N ATOM 1266 CA THR A 78 6.255 8.611 6.427 1.00 0.00 C ATOM 1267 C THR A 78 5.956 9.717 5.414 1.00 0.00 C ATOM 1268 O THR A 78 5.078 10.551 5.646 1.00 0.00 O ATOM 1269 CB THR A 78 5.196 7.503 6.324 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.236 6.991 5.012 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.747 7.917 6.601 1.00 0.00 C ATOM 0 H THR A 78 5.751 8.726 8.474 1.00 0.00 H new ATOM 0 HA THR A 78 7.221 8.163 6.193 1.00 0.00 H new ATOM 0 HB THR A 78 5.456 6.787 7.103 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.689 6.180 4.961 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.095 7.050 6.498 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.669 8.311 7.614 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.445 8.685 5.889 1.00 0.00 H new ATOM 1279 N LYS A 79 6.627 9.701 4.254 1.00 0.00 N ATOM 1280 CA LYS A 79 6.279 10.580 3.125 1.00 0.00 C ATOM 1281 C LYS A 79 4.991 10.130 2.413 1.00 0.00 C ATOM 1282 O LYS A 79 4.525 10.825 1.510 1.00 0.00 O ATOM 1283 CB LYS A 79 7.479 10.718 2.173 1.00 0.00 C ATOM 1284 CG LYS A 79 7.506 12.027 1.361 1.00 0.00 C ATOM 1285 CD LYS A 79 8.350 11.875 0.086 1.00 0.00 C ATOM 1286 CE LYS A 79 7.485 11.267 -1.026 1.00 0.00 C ATOM 1287 NZ LYS A 79 8.275 10.427 -1.954 1.00 0.00 N ATOM 0 H LYS A 79 7.419 9.085 4.071 1.00 0.00 H new ATOM 0 HA LYS A 79 6.056 11.573 3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.398 10.648 2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.475 9.876 1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.489 12.313 1.094 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.913 12.830 1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.735 12.846 -0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.213 11.238 0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.693 10.666 -0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.001 12.067 -1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.632 9.905 -2.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.900 11.032 -2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.849 9.753 -1.409 1.00 0.00 H new ATOM 1301 N MET A 80 4.348 9.032 2.843 1.00 0.00 N ATOM 1302 CA MET A 80 2.943 8.727 2.566 1.00 0.00 C ATOM 1303 C MET A 80 2.016 9.750 3.254 1.00 0.00 C ATOM 1304 O MET A 80 1.317 9.475 4.232 1.00 0.00 O ATOM 1305 CB MET A 80 2.642 7.264 2.931 1.00 0.00 C ATOM 1306 CG MET A 80 1.204 6.891 2.567 1.00 0.00 C ATOM 1307 SD MET A 80 0.962 5.167 2.050 1.00 0.00 S ATOM 1308 CE MET A 80 -0.794 4.969 2.414 1.00 0.00 C ATOM 0 H MET A 80 4.807 8.316 3.407 1.00 0.00 H new ATOM 0 HA MET A 80 2.744 8.825 1.499 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.335 6.605 2.408 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.801 7.112 3.998 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.565 7.089 3.428 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.868 7.546 1.763 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.080 3.927 2.271 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.987 5.260 3.447 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.378 5.600 1.744 1.00 0.00 H new ATOM 1318 N ALA A 81 2.000 10.963 2.698 1.00 0.00 N ATOM 1319 CA ALA A 81 1.346 12.175 3.194 1.00 0.00 C ATOM 1320 C ALA A 81 -0.196 12.146 3.229 1.00 0.00 C ATOM 1321 O ALA A 81 -0.811 13.143 3.597 1.00 0.00 O ATOM 1322 CB ALA A 81 1.864 13.347 2.351 1.00 0.00 C ATOM 0 H ALA A 81 2.484 11.137 1.817 1.00 0.00 H new ATOM 0 HA ALA A 81 1.608 12.276 4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.399 14.273 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.946 13.423 2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.616 13.179 1.303 1.00 0.00 H new ATOM 1328 N PHE A 82 -0.783 10.992 2.918 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.191 10.568 2.864 1.00 0.00 C ATOM 1330 C PHE A 82 -2.949 10.721 4.218 1.00 0.00 C ATOM 1331 O PHE A 82 -2.784 11.713 4.926 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.133 9.136 2.276 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.437 8.377 2.100 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.504 8.930 1.369 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -3.594 7.121 2.715 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -5.721 8.231 1.268 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -4.801 6.417 2.599 1.00 0.00 C ATOM 1338 CZ PHE A 82 -5.871 6.979 1.889 1.00 0.00 C ATOM 0 H PHE A 82 -0.189 10.206 2.656 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.801 11.214 2.233 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.649 9.196 1.301 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.485 8.539 2.917 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.389 9.889 0.886 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.778 6.696 3.281 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.542 8.658 0.712 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.906 5.444 3.056 1.00 0.00 H new ATOM 0 HZ PHE A 82 -6.810 6.450 1.819 1.00 0.00 H new ATOM 1348 N GLY A 83 -3.834 9.786 4.585 1.00 0.00 N ATOM 1349 CA GLY A 83 -4.693 9.869 5.777 1.00 0.00 C ATOM 1350 C GLY A 83 -5.187 8.525 6.325 1.00 0.00 C ATOM 1351 O GLY A 83 -5.142 8.328 7.535 1.00 0.00 O ATOM 0 H GLY A 83 -3.978 8.930 4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.144 10.384 6.565 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.560 10.485 5.538 1.00 0.00 H new ATOM 1355 N GLY A 84 -5.609 7.602 5.457 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.105 6.271 5.831 1.00 0.00 C ATOM 1357 C GLY A 84 -7.576 6.067 5.463 1.00 0.00 C ATOM 1358 O GLY A 84 -8.352 7.017 5.346 1.00 0.00 O ATOM 0 H GLY A 84 -5.616 7.761 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.502 5.510 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.980 6.129 6.904 1.00 0.00 H new ATOM 1362 N LEU A 85 -7.982 4.811 5.291 1.00 0.00 N ATOM 1363 CA LEU A 85 -9.319 4.395 4.875 1.00 0.00 C ATOM 1364 C LEU A 85 -10.083 3.771 6.052 1.00 0.00 C ATOM 1365 O LEU A 85 -10.121 2.555 6.197 1.00 0.00 O ATOM 1366 CB LEU A 85 -9.186 3.408 3.704 1.00 0.00 C ATOM 1367 CG LEU A 85 -8.581 3.937 2.394 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -8.725 2.848 1.331 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -9.268 5.202 1.882 1.00 0.00 C ATOM 0 H LEU A 85 -7.358 4.019 5.445 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.892 5.262 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.578 2.568 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.178 3.015 3.481 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.540 4.191 2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.302 3.200 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.195 1.952 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.780 2.615 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.794 5.524 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.322 4.994 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.179 5.992 2.628 1.00 0.00 H new ATOM 1381 N LYS A 86 -10.732 4.600 6.885 1.00 0.00 N ATOM 1382 CA LYS A 86 -11.444 4.198 8.124 1.00 0.00 C ATOM 1383 C LYS A 86 -12.312 2.930 8.015 1.00 0.00 C ATOM 1384 O LYS A 86 -12.210 2.057 8.870 1.00 0.00 O ATOM 1385 CB LYS A 86 -12.303 5.359 8.658 1.00 0.00 C ATOM 1386 CG LYS A 86 -11.495 6.601 9.070 1.00 0.00 C ATOM 1387 CD LYS A 86 -12.420 7.652 9.707 1.00 0.00 C ATOM 1388 CE LYS A 86 -11.632 8.910 10.094 1.00 0.00 C ATOM 1389 NZ LYS A 86 -12.515 9.940 10.696 1.00 0.00 N ATOM 0 H LYS A 86 -10.781 5.605 6.715 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.644 3.947 8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.024 5.645 7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.874 5.009 9.518 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.714 6.318 9.776 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.997 7.025 8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.214 7.916 9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.900 7.232 10.591 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.846 8.645 10.801 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.142 9.320 9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.951 10.777 10.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.250 10.210 10.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.963 9.556 11.552 1.00 0.00 H new ATOM 1403 N LYS A 87 -13.157 2.814 6.986 1.00 0.00 N ATOM 1404 CA LYS A 87 -14.016 1.641 6.724 1.00 0.00 C ATOM 1405 C LYS A 87 -13.182 0.368 6.480 1.00 0.00 C ATOM 1406 O LYS A 87 -12.477 0.289 5.475 1.00 0.00 O ATOM 1407 CB LYS A 87 -14.813 1.873 5.439 1.00 0.00 C ATOM 1408 CG LYS A 87 -15.941 2.915 5.316 1.00 0.00 C ATOM 1409 CD LYS A 87 -16.288 2.867 3.814 1.00 0.00 C ATOM 1410 CE LYS A 87 -17.362 3.765 3.216 1.00 0.00 C ATOM 1411 NZ LYS A 87 -17.464 3.446 1.764 1.00 0.00 N ATOM 0 H LYS A 87 -13.270 3.551 6.289 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.656 1.514 7.597 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.085 2.116 4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.252 0.912 5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.799 2.658 5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.610 3.907 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.366 3.070 3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.572 1.839 3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.318 3.599 3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.106 4.815 3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.824 4.276 1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.524 3.193 1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.115 2.646 1.629 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.337 -0.654 7.323 1.00 0.00 N ATOM 1426 CA GLU A 88 -12.694 -1.968 7.121 1.00 0.00 C ATOM 1427 C GLU A 88 -12.955 -2.553 5.723 1.00 0.00 C ATOM 1428 O GLU A 88 -12.013 -2.738 4.968 1.00 0.00 O ATOM 1429 CB GLU A 88 -13.050 -2.931 8.265 1.00 0.00 C ATOM 1430 CG GLU A 88 -14.534 -3.307 8.369 1.00 0.00 C ATOM 1431 CD GLU A 88 -14.842 -3.966 9.717 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -14.643 -5.201 9.801 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -15.299 -3.223 10.609 1.00 0.00 O ATOM 0 H GLU A 88 -13.909 -0.602 8.166 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.615 -1.817 7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.469 -3.845 8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.740 -2.480 9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.148 -2.414 8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.798 -3.987 7.559 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.220 -2.695 5.311 1.00 0.00 N ATOM 1441 CA LYS A 89 -14.681 -3.174 3.993 1.00 0.00 C ATOM 1442 C LYS A 89 -14.002 -2.509 2.791 1.00 0.00 C ATOM 1443 O LYS A 89 -13.580 -3.165 1.844 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.184 -2.925 3.917 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.019 -3.725 4.921 1.00 0.00 C ATOM 1446 CD LYS A 89 -17.164 -5.217 4.569 1.00 0.00 C ATOM 1447 CE LYS A 89 -18.041 -5.429 3.325 1.00 0.00 C ATOM 1448 NZ LYS A 89 -18.067 -6.851 2.895 1.00 0.00 N ATOM 0 H LYS A 89 -15.002 -2.465 5.924 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.418 -4.230 3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.371 -1.863 4.075 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.527 -3.162 2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.563 -3.638 5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.012 -3.280 4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.177 -5.647 4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.599 -5.749 5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.057 -5.096 3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.667 -4.811 2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.670 -6.948 2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.101 -7.162 2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.448 -7.439 3.663 1.00 0.00 H new ATOM 1462 N ASP A 90 -13.944 -1.185 2.850 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.284 -0.296 1.869 1.00 0.00 C ATOM 1464 C ASP A 90 -11.763 -0.529 1.787 1.00 0.00 C ATOM 1465 O ASP A 90 -11.166 -0.264 0.748 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.579 1.159 2.256 1.00 0.00 C ATOM 1467 CG ASP A 90 -13.868 2.155 1.119 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -12.948 2.871 0.658 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -15.080 2.387 0.874 1.00 0.00 O ATOM 0 H ASP A 90 -14.373 -0.665 3.615 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.684 -0.521 0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.436 1.160 2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.728 1.535 2.823 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.147 -1.060 2.854 1.00 0.00 N ATOM 1475 CA ARG A 91 -9.827 -1.713 2.816 1.00 0.00 C ATOM 1476 C ARG A 91 -9.899 -3.165 2.324 1.00 0.00 C ATOM 1477 O ARG A 91 -9.073 -3.522 1.496 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.095 -1.614 4.174 1.00 0.00 C ATOM 1479 CG ARG A 91 -9.027 -0.160 4.658 1.00 0.00 C ATOM 1480 CD ARG A 91 -8.017 0.121 5.781 1.00 0.00 C ATOM 1481 NE ARG A 91 -8.223 -0.634 7.032 1.00 0.00 N ATOM 1482 CZ ARG A 91 -9.180 -0.507 7.934 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -10.180 0.303 7.775 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -9.146 -1.190 9.039 1.00 0.00 N ATOM 0 H ARG A 91 -11.560 -1.048 3.787 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.238 -1.162 2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.612 -2.224 4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.087 -2.016 4.078 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.783 0.476 3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.018 0.136 5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.017 -0.097 5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.046 1.186 6.012 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.529 -1.355 7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.247 0.870 6.930 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.899 0.373 8.495 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.375 -1.833 9.218 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.891 -1.083 9.728 1.00 0.00 H new ATOM 1498 N ASN A 92 -10.841 -3.998 2.788 1.00 0.00 N ATOM 1499 CA ASN A 92 -10.930 -5.429 2.454 1.00 0.00 C ATOM 1500 C ASN A 92 -10.863 -5.688 0.947 1.00 0.00 C ATOM 1501 O ASN A 92 -9.903 -6.288 0.478 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.199 -6.097 3.019 1.00 0.00 C ATOM 1503 CG ASN A 92 -12.198 -6.278 4.516 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -12.946 -5.650 5.238 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -11.434 -7.202 5.036 1.00 0.00 N ATOM 0 H ASN A 92 -11.580 -3.690 3.420 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.057 -5.877 2.929 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.065 -5.497 2.739 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.321 -7.072 2.548 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -11.470 -7.389 6.038 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.802 -7.736 4.440 1.00 0.00 H new ATOM 1512 N ASP A 93 -11.861 -5.243 0.184 1.00 0.00 N ATOM 1513 CA ASP A 93 -11.940 -5.525 -1.251 1.00 0.00 C ATOM 1514 C ASP A 93 -10.880 -4.769 -2.086 1.00 0.00 C ATOM 1515 O ASP A 93 -10.499 -5.201 -3.175 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.371 -5.242 -1.715 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.340 -6.356 -1.278 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.180 -7.502 -1.772 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.263 -6.072 -0.478 1.00 0.00 O ATOM 0 H ASP A 93 -12.634 -4.680 0.539 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.703 -6.576 -1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.705 -4.288 -1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.390 -5.148 -2.801 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.351 -3.656 -1.570 1.00 0.00 N ATOM 1525 CA LEU A 94 -9.246 -2.892 -2.169 1.00 0.00 C ATOM 1526 C LEU A 94 -7.904 -3.629 -2.016 1.00 0.00 C ATOM 1527 O LEU A 94 -7.170 -3.774 -2.991 1.00 0.00 O ATOM 1528 CB LEU A 94 -9.223 -1.479 -1.562 1.00 0.00 C ATOM 1529 CG LEU A 94 -8.650 -0.369 -2.466 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -8.694 0.955 -1.704 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -7.210 -0.578 -2.930 1.00 0.00 C ATOM 0 H LEU A 94 -10.688 -3.247 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.408 -2.797 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.241 -1.206 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.640 -1.509 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.272 -0.380 -3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.291 1.750 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.725 1.189 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.097 0.872 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.905 0.258 -3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.553 -0.637 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.142 -1.504 -3.500 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.617 -4.161 -0.824 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.518 -5.097 -0.536 1.00 0.00 C ATOM 1545 C ILE A 95 -6.692 -6.402 -1.325 1.00 0.00 C ATOM 1546 O ILE A 95 -5.744 -6.847 -1.964 1.00 0.00 O ATOM 1547 CB ILE A 95 -6.418 -5.350 0.987 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -5.943 -4.058 1.689 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -5.460 -6.504 1.342 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -6.107 -4.104 3.208 1.00 0.00 C ATOM 0 H ILE A 95 -8.168 -3.943 0.006 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.578 -4.650 -0.861 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.411 -5.638 1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.894 -3.886 1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.504 -3.211 1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.432 -6.634 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.811 -7.425 0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.459 -6.271 0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.755 -3.167 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.159 -4.246 3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.524 -4.932 3.612 1.00 0.00 H new ATOM 1562 N THR A 96 -7.888 -6.998 -1.341 1.00 0.00 N ATOM 1563 CA THR A 96 -8.202 -8.203 -2.135 1.00 0.00 C ATOM 1564 C THR A 96 -7.867 -8.004 -3.620 1.00 0.00 C ATOM 1565 O THR A 96 -7.274 -8.881 -4.245 1.00 0.00 O ATOM 1566 CB THR A 96 -9.664 -8.653 -1.898 1.00 0.00 C ATOM 1567 OG1 THR A 96 -9.700 -9.968 -1.387 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.609 -8.632 -3.099 1.00 0.00 C ATOM 0 H THR A 96 -8.681 -6.657 -0.797 1.00 0.00 H new ATOM 0 HA THR A 96 -7.564 -9.017 -1.791 1.00 0.00 H new ATOM 0 HB THR A 96 -10.027 -7.896 -1.202 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.331 -10.505 -1.910 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.598 -8.971 -2.790 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.679 -7.617 -3.489 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.225 -9.294 -3.876 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.175 -6.831 -4.187 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.735 -6.411 -5.520 1.00 0.00 C ATOM 1578 C TYR A 97 -6.206 -6.321 -5.621 1.00 0.00 C ATOM 1579 O TYR A 97 -5.616 -6.892 -6.534 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.395 -5.069 -5.879 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.647 -4.267 -6.929 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.738 -4.614 -8.291 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.778 -3.236 -6.523 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.972 -3.918 -9.247 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.992 -2.559 -7.471 1.00 0.00 C ATOM 1586 CZ TYR A 97 -6.098 -2.887 -8.839 1.00 0.00 C ATOM 1587 OH TYR A 97 -5.354 -2.222 -9.756 1.00 0.00 O ATOM 0 H TYR A 97 -8.751 -6.132 -3.719 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.049 -7.169 -6.238 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.407 -5.259 -6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.484 -4.468 -4.974 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.394 -5.413 -8.602 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.715 -2.965 -5.480 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.054 -4.173 -10.293 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.307 -1.788 -7.152 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.159 -1.320 -9.427 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.571 -5.591 -4.700 1.00 0.00 N ATOM 1598 CA LEU A 98 -4.127 -5.320 -4.702 1.00 0.00 C ATOM 1599 C LEU A 98 -3.282 -6.593 -4.638 1.00 0.00 C ATOM 1600 O LEU A 98 -2.276 -6.706 -5.334 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.776 -4.366 -3.541 1.00 0.00 C ATOM 1602 CG LEU A 98 -3.013 -3.113 -4.000 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -3.052 -2.058 -2.896 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.545 -3.423 -4.300 1.00 0.00 C ATOM 0 H LEU A 98 -6.056 -5.161 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.885 -4.844 -5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.694 -4.061 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.174 -4.902 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.495 -2.753 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.511 -1.170 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.088 -1.794 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.586 -2.457 -1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.039 -2.513 -4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.063 -3.808 -3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.485 -4.170 -5.092 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.747 -7.580 -3.874 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.241 -8.952 -3.887 1.00 0.00 C ATOM 1618 C LYS A 99 -3.328 -9.539 -5.303 1.00 0.00 C ATOM 1619 O LYS A 99 -2.307 -9.898 -5.880 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.019 -9.770 -2.842 1.00 0.00 C ATOM 1621 CG LYS A 99 -3.221 -10.988 -2.361 1.00 0.00 C ATOM 1622 CD LYS A 99 -4.091 -11.898 -1.480 1.00 0.00 C ATOM 1623 CE LYS A 99 -3.276 -12.676 -0.441 1.00 0.00 C ATOM 1624 NZ LYS A 99 -2.287 -13.603 -1.040 1.00 0.00 N ATOM 0 H LYS A 99 -4.509 -7.443 -3.209 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.186 -8.980 -3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.261 -9.135 -1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.965 -10.102 -3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.853 -11.550 -3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.348 -10.657 -1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.839 -11.293 -0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.630 -12.602 -2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.755 -11.969 0.204 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.957 -13.244 0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.006 -14.314 -0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.711 -14.080 -1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.449 -13.067 -1.345 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.509 -9.491 -5.929 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.770 -9.997 -7.296 1.00 0.00 C ATOM 1640 C LYS A 100 -4.044 -9.221 -8.411 1.00 0.00 C ATOM 1641 O LYS A 100 -4.007 -9.660 -9.560 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.290 -10.087 -7.530 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.744 -11.386 -8.230 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.683 -11.375 -9.772 1.00 0.00 C ATOM 1645 CE LYS A 100 -5.822 -12.497 -10.377 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.385 -12.297 -10.093 1.00 0.00 N ATOM 0 H LYS A 100 -5.339 -9.089 -5.492 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.339 -10.997 -7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.800 -10.007 -6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.605 -9.234 -8.131 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.126 -12.207 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.769 -11.600 -7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.696 -11.458 -10.165 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.291 -10.413 -10.102 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.142 -13.458 -9.975 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.978 -12.534 -11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.829 -13.024 -10.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.094 -11.355 -10.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.220 -12.371 -9.069 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.462 -8.072 -8.083 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.564 -7.292 -8.935 1.00 0.00 C ATOM 1662 C ALA A 101 -1.072 -7.692 -8.824 1.00 0.00 C ATOM 1663 O ALA A 101 -0.272 -7.268 -9.665 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.802 -5.806 -8.651 1.00 0.00 C ATOM 0 H ALA A 101 -3.609 -7.636 -7.173 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.805 -7.514 -9.975 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.142 -5.206 -9.277 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.839 -5.555 -8.873 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.595 -5.598 -7.601 1.00 0.00 H new ATOM 1670 N THR A 102 -0.682 -8.525 -7.844 1.00 0.00 N ATOM 1671 CA THR A 102 0.663 -9.139 -7.759 1.00 0.00 C ATOM 1672 C THR A 102 0.674 -10.679 -7.856 1.00 0.00 C ATOM 1673 O THR A 102 1.728 -11.233 -8.169 1.00 0.00 O ATOM 1674 CB THR A 102 1.445 -8.679 -6.522 1.00 0.00 C ATOM 1675 OG1 THR A 102 2.787 -9.080 -6.678 1.00 0.00 O ATOM 1676 CG2 THR A 102 0.960 -9.225 -5.184 1.00 0.00 C ATOM 0 H THR A 102 -1.297 -8.797 -7.077 1.00 0.00 H new ATOM 0 HA THR A 102 1.171 -8.771 -8.650 1.00 0.00 H new ATOM 0 HB THR A 102 1.303 -7.599 -6.477 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.832 -9.835 -7.301 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.586 -8.833 -4.383 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.073 -8.920 -5.019 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.020 -10.313 -5.192 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.455 -11.353 -7.605 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.688 -12.809 -7.725 1.00 0.00 C ATOM 1686 C GLU A 103 -2.025 -13.093 -8.423 1.00 0.00 C ATOM 1687 O GLU A 103 -2.014 -13.428 -9.631 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.551 -13.523 -6.353 1.00 0.00 C ATOM 1689 CG GLU A 103 -1.347 -12.902 -5.186 1.00 0.00 C ATOM 1690 CD GLU A 103 -1.301 -13.710 -3.875 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -0.458 -13.412 -2.994 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -2.226 -14.517 -3.606 1.00 0.00 O ATOM 1693 OXT GLU A 103 -3.101 -12.846 -7.839 1.00 0.00 O ATOM 0 H GLU A 103 -1.294 -10.866 -7.290 1.00 0.00 H new ATOM 0 HA GLU A 103 0.091 -13.231 -8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.867 -14.559 -6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.504 -13.541 -6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.962 -11.901 -4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.387 -12.790 -5.492 1.00 0.00 H new TER 1700 GLU A 103 HETATM 1701 FE HEC A 104 1.213 4.767 -0.279 1.00 0.00 FE HETATM 1702 CHA HEC A 104 4.441 3.719 0.575 1.00 0.00 C HETATM 1703 CHB HEC A 104 0.062 1.513 -0.136 1.00 0.00 C HETATM 1704 CHC HEC A 104 -1.972 5.919 -1.047 1.00 0.00 C HETATM 1705 CHD HEC A 104 2.505 7.972 -0.969 1.00 0.00 C HETATM 1706 NA HEC A 104 2.092 2.941 0.156 1.00 0.00 N HETATM 1707 C1A HEC A 104 3.406 2.768 0.495 1.00 0.00 C HETATM 1708 C2A HEC A 104 3.576 1.366 0.776 1.00 0.00 C HETATM 1709 C3A HEC A 104 2.385 0.733 0.500 1.00 0.00 C HETATM 1710 C4A HEC A 104 1.420 1.752 0.153 1.00 0.00 C HETATM 1711 CMA HEC A 104 2.148 -0.756 0.557 1.00 0.00 C HETATM 1712 CAA HEC A 104 4.839 0.713 1.273 1.00 0.00 C HETATM 1713 CBA HEC A 104 5.853 0.466 0.157 1.00 0.00 C HETATM 1714 CGA HEC A 104 7.146 -0.180 0.649 1.00 0.00 C HETATM 1715 O1A HEC A 104 7.498 -0.023 1.839 1.00 0.00 O HETATM 1716 O2A HEC A 104 7.818 -0.832 -0.177 1.00 0.00 O HETATM 1717 NB HEC A 104 -0.654 3.866 -0.535 1.00 0.00 N HETATM 1718 C1B HEC A 104 -0.876 2.521 -0.442 1.00 0.00 C HETATM 1719 C2B HEC A 104 -2.279 2.308 -0.737 1.00 0.00 C HETATM 1720 C3B HEC A 104 -2.861 3.550 -0.922 1.00 0.00 C HETATM 1721 C4B HEC A 104 -1.806 4.538 -0.833 1.00 0.00 C HETATM 1722 CMB HEC A 104 -2.974 0.970 -0.870 1.00 0.00 C HETATM 1723 CAB HEC A 104 -4.329 3.841 -1.197 1.00 0.00 C HETATM 1724 CBB HEC A 104 -5.214 3.539 0.014 1.00 0.00 C HETATM 1725 NC HEC A 104 0.397 6.645 -0.842 1.00 0.00 N HETATM 1726 C1C HEC A 104 -0.924 6.847 -1.094 1.00 0.00 C HETATM 1727 C2C HEC A 104 -1.082 8.224 -1.497 1.00 0.00 C HETATM 1728 C3C HEC A 104 0.180 8.785 -1.558 1.00 0.00 C HETATM 1729 C4C HEC A 104 1.117 7.782 -1.086 1.00 0.00 C HETATM 1730 CMC HEC A 104 -2.390 8.852 -1.927 1.00 0.00 C HETATM 1731 CAC HEC A 104 0.549 10.113 -2.197 1.00 0.00 C HETATM 1732 CBC HEC A 104 0.183 11.313 -1.317 1.00 0.00 C HETATM 1733 ND HEC A 104 3.165 5.709 -0.185 1.00 0.00 N HETATM 1734 C1D HEC A 104 3.412 7.001 -0.512 1.00 0.00 C HETATM 1735 C2D HEC A 104 4.823 7.220 -0.295 1.00 0.00 C HETATM 1736 C3D HEC A 104 5.368 6.055 0.203 1.00 0.00 C HETATM 1737 C4D HEC A 104 4.305 5.069 0.213 1.00 0.00 C HETATM 1738 CMD HEC A 104 5.577 8.496 -0.546 1.00 0.00 C HETATM 1739 CAD HEC A 104 6.768 5.905 0.781 1.00 0.00 C HETATM 1740 CBD HEC A 104 7.939 6.289 -0.147 1.00 0.00 C HETATM 1741 CGD HEC A 104 8.810 7.410 0.433 1.00 0.00 C HETATM 1742 O1D HEC A 104 8.909 8.460 -0.242 1.00 0.00 O HETATM 1743 O2D HEC A 104 9.336 7.251 1.555 1.00 0.00 O HETATM 0 HMD3 HEC A 104 5.495 8.766 -1.599 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 5.157 9.293 0.067 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.627 8.355 -0.288 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.776 8.327 -2.801 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -3.112 8.782 -1.113 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.226 9.900 -2.177 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.513 0.399 -1.676 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -2.882 0.418 0.065 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -4.029 1.129 -1.095 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 2.815 -1.258 -0.144 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 2.344 -1.117 1.567 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 1.113 -0.970 0.290 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 8.558 5.410 -0.327 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 7.544 6.604 -1.113 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.892 11.317 -1.136 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.711 11.242 -0.366 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 0.469 12.235 -1.822 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -5.121 2.486 0.279 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 -4.899 4.154 0.857 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -6.253 3.762 -0.230 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 5.401 -0.174 -0.601 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 6.089 1.414 -0.326 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 6.832 6.515 1.682 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 6.901 4.868 1.088 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 5.293 1.344 2.038 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 4.590 -0.236 1.749 1.00 0.00 H new HETATM 0 HHD HEC A 104 2.907 8.944 -1.254 1.00 0.00 H new HETATM 0 HHC HEC A 104 -2.987 6.292 -1.186 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.287 0.480 -0.122 1.00 0.00 H new HETATM 0 HHA HEC A 104 5.412 3.386 0.942 1.00 0.00 H new HETATM 0 H2D HEC A 104 9.085 7.994 2.142 1.00 0.00 H new HETATM 0 H2A HEC A 104 8.172 -1.638 0.253 1.00 0.00 H new