USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 hydrogens (96 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 17 HIS HE2 : A 17 HIS NE2 : A 130 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 153 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 130 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 166 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 153 HECFE :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 166 HECFE :(H bumps) USER MOD NoAdj-H: A 130 HEC HAC : A 130 HEC CAC : A 29 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 HEC HAB : A 130 HEC CAB : A 26 CYS SG :(H bumps) USER MOD NoAdj-H: A 153 HEC HAC : A 153 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 153 HEC HAB : A 153 HEC CAB : A 49 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC HAC : A 166 HEC CAC : A 65 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC HAB : A 166 HEC CAB : A 62 CYS SG :(H bumps) USER MOD Set 1.1: A 50 LYS NZ :NH3+ 134:sc= 2.27 (180deg=-0.762) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 0.942 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 138:sc= 0.698 (180deg=0.395!) USER MOD Set 2.2: A 153 HEC O2D : rot -140:sc= -0.277 USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= 1.04 USER MOD Set 3.2: A 14 THR OG1 : rot -61:sc= 1.22 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 164:sc= 1.12 USER MOD Single : A 8 ASN : amide:sc= 1.17 K(o=1.2,f=-5.1!) USER MOD Single : A 12 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.9) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -110:sc= 0.681 USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= 1.17 (180deg=1.04) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0317 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 67:sc= 1.13 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.14) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HEC O2A : rot 168:sc=-0.00506 USER MOD Single : A 130 HEC O2D : rot -124:sc= 1.32 USER MOD Single : A 153 HEC O2A : rot 178:sc= 0 USER MOD Single : A 166 HEC O2A : rot 177:sc= 0 USER MOD Single : A 166 HEC O2D : rot 139:sc= -0.102 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.854 -7.583 -1.226 1.00 10.00 N ATOM 2 CA ALA A 1 -11.224 -7.755 0.105 1.00 10.00 C ATOM 3 C ALA A 1 -10.339 -9.014 0.179 1.00 10.00 C ATOM 4 O ALA A 1 -10.458 -9.804 1.108 1.00 10.00 O ATOM 5 CB ALA A 1 -12.301 -7.752 1.198 1.00 10.00 C ATOM 0 H1 ALA A 1 -12.439 -6.723 -1.225 1.00 10.00 H new ATOM 0 H2 ALA A 1 -11.114 -7.498 -1.952 1.00 10.00 H new ATOM 0 H3 ALA A 1 -12.452 -8.408 -1.436 1.00 10.00 H new ATOM 0 HA ALA A 1 -10.556 -6.910 0.271 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -11.830 -7.879 2.173 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -12.840 -6.805 1.176 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -12.999 -8.570 1.023 1.00 10.00 H new ATOM 13 N ASP A 2 -9.459 -9.187 -0.812 1.00 10.00 N ATOM 14 CA ASP A 2 -8.472 -10.254 -0.876 1.00 10.00 C ATOM 15 C ASP A 2 -7.334 -9.770 -1.802 1.00 10.00 C ATOM 16 O ASP A 2 -7.416 -8.648 -2.307 1.00 10.00 O ATOM 17 CB ASP A 2 -9.151 -11.575 -1.293 1.00 10.00 C ATOM 18 CG ASP A 2 -8.430 -12.784 -0.716 1.00 10.00 C ATOM 19 OD1 ASP A 2 -7.194 -12.819 -0.866 1.00 10.00 O ATOM 20 OD2 ASP A 2 -9.098 -13.624 -0.067 1.00 10.00 O ATOM 0 H ASP A 2 -9.418 -8.562 -1.617 1.00 10.00 H new ATOM 0 HA ASP A 2 -8.024 -10.477 0.092 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -10.187 -11.574 -0.956 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -9.170 -11.647 -2.380 1.00 10.00 H new ATOM 25 N VAL A 3 -6.270 -10.550 -1.977 1.00 10.00 N ATOM 26 CA VAL A 3 -5.002 -10.102 -2.560 1.00 10.00 C ATOM 27 C VAL A 3 -5.151 -9.484 -3.965 1.00 10.00 C ATOM 28 O VAL A 3 -5.576 -10.157 -4.901 1.00 10.00 O ATOM 29 CB VAL A 3 -3.984 -11.259 -2.560 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.600 -10.732 -2.949 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.856 -11.922 -1.182 1.00 10.00 C ATOM 0 H VAL A 3 -6.263 -11.535 -1.712 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.631 -9.295 -1.928 1.00 10.00 H new ATOM 0 HB VAL A 3 -4.347 -11.996 -3.276 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.884 -11.554 -2.947 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.645 -10.292 -3.945 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -2.284 -9.974 -2.232 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.127 -12.731 -1.234 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.527 -11.183 -0.452 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.823 -12.324 -0.880 1.00 10.00 H new ATOM 41 N VAL A 4 -4.760 -8.209 -4.119 1.00 10.00 N ATOM 42 CA VAL A 4 -4.771 -7.490 -5.402 1.00 10.00 C ATOM 43 C VAL A 4 -3.340 -7.233 -5.918 1.00 10.00 C ATOM 44 O VAL A 4 -2.596 -6.444 -5.339 1.00 10.00 O ATOM 45 CB VAL A 4 -5.541 -6.157 -5.297 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.850 -5.631 -6.706 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.853 -6.230 -4.508 1.00 10.00 C ATOM 0 H VAL A 4 -4.422 -7.640 -3.343 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.286 -8.130 -6.118 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.884 -5.487 -4.743 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.394 -4.689 -6.632 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.917 -5.470 -7.247 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.458 -6.360 -7.241 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.321 -5.246 -4.489 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.525 -6.943 -4.985 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.646 -6.553 -3.488 1.00 10.00 H new ATOM 57 N THR A 5 -2.950 -7.864 -7.030 1.00 10.00 N ATOM 58 CA THR A 5 -1.623 -7.719 -7.642 1.00 10.00 C ATOM 59 C THR A 5 -1.622 -6.686 -8.783 1.00 10.00 C ATOM 60 O THR A 5 -2.297 -6.862 -9.792 1.00 10.00 O ATOM 61 CB THR A 5 -1.102 -9.117 -8.035 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.419 -9.674 -6.930 1.00 10.00 O ATOM 63 CG2 THR A 5 -0.131 -9.140 -9.211 1.00 10.00 C ATOM 0 H THR A 5 -3.559 -8.503 -7.541 1.00 10.00 H new ATOM 0 HA THR A 5 -0.919 -7.304 -6.921 1.00 10.00 H new ATOM 0 HB THR A 5 -1.986 -9.679 -8.335 1.00 10.00 H new ATOM 0 HG1 THR A 5 -0.084 -10.564 -7.167 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.177 -10.167 -9.409 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.620 -8.731 -10.095 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.746 -8.538 -8.971 1.00 10.00 H new ATOM 71 N TYR A 6 -0.867 -5.591 -8.606 1.00 10.00 N ATOM 72 CA TYR A 6 -0.779 -4.474 -9.550 1.00 10.00 C ATOM 73 C TYR A 6 0.350 -4.684 -10.572 1.00 10.00 C ATOM 74 O TYR A 6 1.495 -4.287 -10.345 1.00 10.00 O ATOM 75 CB TYR A 6 -0.607 -3.151 -8.787 1.00 10.00 C ATOM 76 CG TYR A 6 -1.914 -2.509 -8.329 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.807 -3.230 -7.513 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.240 -1.191 -8.709 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.967 -2.607 -7.017 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.407 -0.573 -8.216 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.265 -1.275 -7.356 1.00 10.00 C ATOM 82 OH TYR A 6 -5.354 -0.676 -6.790 1.00 10.00 O ATOM 0 H TYR A 6 -0.286 -5.458 -7.778 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.711 -4.429 -10.114 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.021 -3.329 -7.914 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.074 -2.445 -9.424 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.601 -4.262 -7.268 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.591 -0.651 -9.383 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.635 -3.157 -6.370 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.641 0.442 -8.501 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.292 0.295 -6.909 1.00 10.00 H new ATOM 92 N GLU A 7 0.021 -5.306 -11.703 1.00 10.00 N ATOM 93 CA GLU A 7 0.969 -5.748 -12.721 1.00 10.00 C ATOM 94 C GLU A 7 1.486 -4.598 -13.600 1.00 10.00 C ATOM 95 O GLU A 7 1.126 -4.472 -14.767 1.00 10.00 O ATOM 96 CB GLU A 7 0.327 -6.894 -13.511 1.00 10.00 C ATOM 97 CG GLU A 7 -0.145 -7.983 -12.543 1.00 10.00 C ATOM 98 CD GLU A 7 -0.555 -9.273 -13.236 1.00 10.00 C ATOM 99 OE1 GLU A 7 -1.583 -9.235 -13.945 1.00 10.00 O ATOM 100 OE2 GLU A 7 0.166 -10.271 -13.023 1.00 10.00 O ATOM 0 H GLU A 7 -0.946 -5.523 -11.943 1.00 10.00 H new ATOM 0 HA GLU A 7 1.873 -6.122 -12.240 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -0.515 -6.521 -14.093 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.045 -7.308 -14.219 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.654 -8.199 -11.834 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.989 -7.605 -11.967 1.00 10.00 H new ATOM 107 N ASN A 8 2.353 -3.766 -13.016 1.00 10.00 N ATOM 108 CA ASN A 8 2.949 -2.595 -13.655 1.00 10.00 C ATOM 109 C ASN A 8 4.359 -2.876 -14.192 1.00 10.00 C ATOM 110 O ASN A 8 5.034 -3.823 -13.783 1.00 10.00 O ATOM 111 CB ASN A 8 2.981 -1.444 -12.649 1.00 10.00 C ATOM 112 CG ASN A 8 3.972 -1.722 -11.527 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.139 -1.357 -11.614 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.561 -2.425 -10.481 1.00 10.00 N ATOM 0 H ASN A 8 2.668 -3.895 -12.054 1.00 10.00 H new ATOM 0 HA ASN A 8 2.335 -2.328 -14.515 1.00 10.00 H new ATOM 0 HB2 ASN A 8 3.254 -0.520 -13.158 1.00 10.00 H new ATOM 0 HB3 ASN A 8 1.986 -1.295 -12.230 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.218 -2.667 -9.739 1.00 10.00 H new ATOM 0 HD22 ASN A 8 2.588 -2.724 -10.418 1.00 10.00 H new ATOM 121 N ALA A 9 4.831 -2.000 -15.076 1.00 10.00 N ATOM 122 CA ALA A 9 6.098 -2.166 -15.782 1.00 10.00 C ATOM 123 C ALA A 9 7.330 -2.119 -14.869 1.00 10.00 C ATOM 124 O ALA A 9 8.393 -2.599 -15.257 1.00 10.00 O ATOM 125 CB ALA A 9 6.209 -1.103 -16.876 1.00 10.00 C ATOM 0 H ALA A 9 4.337 -1.143 -15.325 1.00 10.00 H new ATOM 0 HA ALA A 9 6.089 -3.166 -16.215 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.154 -1.223 -17.406 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.383 -1.216 -17.578 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.170 -0.111 -16.425 1.00 10.00 H new ATOM 131 N ALA A 10 7.211 -1.553 -13.662 1.00 10.00 N ATOM 132 CA ALA A 10 8.339 -1.422 -12.741 1.00 10.00 C ATOM 133 C ALA A 10 8.460 -2.610 -11.775 1.00 10.00 C ATOM 134 O ALA A 10 9.260 -2.547 -10.845 1.00 10.00 O ATOM 135 CB ALA A 10 8.219 -0.088 -11.999 1.00 10.00 C ATOM 0 H ALA A 10 6.335 -1.176 -13.301 1.00 10.00 H new ATOM 0 HA ALA A 10 9.262 -1.432 -13.320 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.055 0.021 -11.309 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.233 0.731 -12.718 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.283 -0.065 -11.441 1.00 10.00 H new ATOM 141 N GLY A 11 7.676 -3.679 -11.974 1.00 10.00 N ATOM 142 CA GLY A 11 7.607 -4.824 -11.061 1.00 10.00 C ATOM 143 C GLY A 11 6.275 -4.822 -10.313 1.00 10.00 C ATOM 144 O GLY A 11 5.855 -3.781 -9.815 1.00 10.00 O ATOM 0 H GLY A 11 7.065 -3.772 -12.785 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.716 -5.752 -11.621 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.432 -4.782 -10.350 1.00 10.00 H new ATOM 148 N ASN A 12 5.580 -5.956 -10.210 1.00 10.00 N ATOM 149 CA ASN A 12 4.329 -5.980 -9.458 1.00 10.00 C ATOM 150 C ASN A 12 4.577 -5.906 -7.944 1.00 10.00 C ATOM 151 O ASN A 12 5.710 -6.062 -7.490 1.00 10.00 O ATOM 152 CB ASN A 12 3.441 -7.150 -9.889 1.00 10.00 C ATOM 153 CG ASN A 12 4.035 -8.520 -9.579 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.204 -8.647 -9.240 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.249 -9.577 -9.717 1.00 10.00 N ATOM 0 H ASN A 12 5.854 -6.846 -10.626 1.00 10.00 H new ATOM 0 HA ASN A 12 3.765 -5.080 -9.701 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.475 -7.063 -9.393 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.256 -7.078 -10.961 1.00 10.00 H new ATOM 0 HD21 ASN A 12 3.616 -10.512 -9.540 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.277 -9.456 -10.000 1.00 10.00 H new ATOM 162 N VAL A 13 3.519 -5.590 -7.185 1.00 10.00 N ATOM 163 CA VAL A 13 3.637 -5.144 -5.793 1.00 10.00 C ATOM 164 C VAL A 13 2.782 -5.909 -4.770 1.00 10.00 C ATOM 165 O VAL A 13 3.185 -6.022 -3.617 1.00 10.00 O ATOM 166 CB VAL A 13 3.458 -3.620 -5.718 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.191 -3.168 -6.437 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.422 -3.117 -4.271 1.00 10.00 C ATOM 0 H VAL A 13 2.557 -5.637 -7.521 1.00 10.00 H new ATOM 0 HA VAL A 13 4.649 -5.399 -5.478 1.00 10.00 H new ATOM 0 HB VAL A 13 4.326 -3.188 -6.217 1.00 10.00 H new ATOM 0 HG11 VAL A 13 2.098 -2.085 -6.363 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.246 -3.457 -7.487 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.323 -3.639 -5.976 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.294 -2.035 -4.265 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.590 -3.584 -3.744 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.357 -3.375 -3.773 1.00 10.00 H new ATOM 178 N THR A 14 1.610 -6.426 -5.155 1.00 10.00 N ATOM 179 CA THR A 14 0.759 -7.241 -4.280 1.00 10.00 C ATOM 180 C THR A 14 0.231 -6.478 -3.050 1.00 10.00 C ATOM 181 O THR A 14 0.812 -6.486 -1.967 1.00 10.00 O ATOM 182 CB THR A 14 1.455 -8.576 -3.964 1.00 10.00 C ATOM 183 OG1 THR A 14 1.539 -9.314 -5.167 1.00 10.00 O ATOM 184 CG2 THR A 14 0.672 -9.442 -2.979 1.00 10.00 C ATOM 0 H THR A 14 1.222 -6.290 -6.089 1.00 10.00 H new ATOM 0 HA THR A 14 -0.156 -7.483 -4.821 1.00 10.00 H new ATOM 0 HB THR A 14 2.424 -8.339 -3.524 1.00 10.00 H new ATOM 0 HG1 THR A 14 0.637 -9.492 -5.505 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.216 -10.369 -2.798 1.00 10.00 H new ATOM 0 HG22 THR A 14 0.549 -8.904 -2.039 1.00 10.00 H new ATOM 0 HG23 THR A 14 -0.308 -9.672 -3.396 1.00 10.00 H new ATOM 192 N PHE A 15 -0.925 -5.833 -3.221 1.00 10.00 N ATOM 193 CA PHE A 15 -1.705 -5.228 -2.146 1.00 10.00 C ATOM 194 C PHE A 15 -2.438 -6.352 -1.412 1.00 10.00 C ATOM 195 O PHE A 15 -3.431 -6.878 -1.928 1.00 10.00 O ATOM 196 CB PHE A 15 -2.772 -4.280 -2.713 1.00 10.00 C ATOM 197 CG PHE A 15 -2.356 -2.977 -3.363 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.206 -2.898 -4.168 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.310 -1.941 -3.416 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.040 -1.827 -5.055 1.00 10.00 C ATOM 201 CE2 PHE A 15 -3.131 -0.857 -4.288 1.00 10.00 C ATOM 202 CZ PHE A 15 -1.998 -0.805 -5.115 1.00 10.00 C ATOM 0 H PHE A 15 -1.354 -5.715 -4.139 1.00 10.00 H new ATOM 0 HA PHE A 15 -1.035 -4.671 -1.491 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.346 -4.841 -3.450 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.453 -4.033 -1.898 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.449 -3.665 -4.102 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -4.183 -1.982 -2.782 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.171 -1.788 -5.695 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -3.863 -0.064 -4.323 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.864 0.022 -5.797 1.00 10.00 H new ATOM 212 N ASP A 16 -1.996 -6.708 -0.207 1.00 10.00 N ATOM 213 CA ASP A 16 -2.591 -7.829 0.490 1.00 10.00 C ATOM 214 C ASP A 16 -3.664 -7.281 1.425 1.00 10.00 C ATOM 215 O ASP A 16 -3.445 -7.128 2.627 1.00 10.00 O ATOM 216 CB ASP A 16 -1.516 -8.686 1.156 1.00 10.00 C ATOM 217 CG ASP A 16 -2.101 -10.043 1.515 1.00 10.00 C ATOM 218 OD1 ASP A 16 -3.308 -10.068 1.846 1.00 10.00 O ATOM 219 OD2 ASP A 16 -1.344 -11.029 1.441 1.00 10.00 O ATOM 0 H ASP A 16 -1.240 -6.241 0.294 1.00 10.00 H new ATOM 0 HA ASP A 16 -3.086 -8.519 -0.194 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -0.667 -8.810 0.484 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -1.144 -8.190 2.052 1.00 10.00 H new ATOM 224 N HIS A 17 -4.797 -6.917 0.812 1.00 10.00 N ATOM 225 CA HIS A 17 -6.017 -6.465 1.478 1.00 10.00 C ATOM 226 C HIS A 17 -6.238 -7.245 2.780 1.00 10.00 C ATOM 227 O HIS A 17 -6.441 -6.673 3.849 1.00 10.00 O ATOM 228 CB HIS A 17 -7.203 -6.667 0.507 1.00 10.00 C ATOM 229 CG HIS A 17 -7.935 -5.401 0.155 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.004 -4.817 -1.087 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.508 -4.542 1.047 1.00 10.00 C ATOM 232 CE1 HIS A 17 -8.590 -3.616 -0.929 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.897 -3.385 0.363 1.00 10.00 N ATOM 0 H HIS A 17 -4.889 -6.931 -0.204 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.932 -5.410 1.739 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.833 -7.126 -0.410 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.908 -7.369 0.953 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -7.673 -5.219 -1.964 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -8.639 -4.724 2.103 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -8.789 -2.925 -1.735 1.00 10.00 H new ATOM 241 N LYS A 18 -6.163 -8.569 2.647 1.00 10.00 N ATOM 242 CA LYS A 18 -6.382 -9.558 3.683 1.00 10.00 C ATOM 243 C LYS A 18 -5.277 -9.532 4.741 1.00 10.00 C ATOM 244 O LYS A 18 -5.536 -9.102 5.857 1.00 10.00 O ATOM 245 CB LYS A 18 -6.507 -10.897 2.961 1.00 10.00 C ATOM 246 CG LYS A 18 -7.101 -12.051 3.774 1.00 10.00 C ATOM 247 CD LYS A 18 -7.370 -13.130 2.718 1.00 10.00 C ATOM 248 CE LYS A 18 -8.206 -14.310 3.202 1.00 10.00 C ATOM 249 NZ LYS A 18 -8.581 -15.130 2.029 1.00 10.00 N ATOM 0 H LYS A 18 -5.932 -8.999 1.751 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.289 -9.354 4.252 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -7.122 -10.751 2.073 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.516 -11.195 2.617 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -6.408 -12.402 4.539 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -8.016 -11.753 4.285 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -7.876 -12.669 1.870 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -6.414 -13.506 2.353 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.640 -14.907 3.917 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -9.098 -13.956 3.718 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -9.153 -15.941 2.341 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -9.134 -14.552 1.364 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -7.721 -15.474 1.557 1.00 10.00 H new ATOM 263 N ALA A 19 -4.048 -9.947 4.416 1.00 10.00 N ATOM 264 CA ALA A 19 -2.951 -10.028 5.383 1.00 10.00 C ATOM 265 C ALA A 19 -2.740 -8.712 6.134 1.00 10.00 C ATOM 266 O ALA A 19 -2.565 -8.713 7.352 1.00 10.00 O ATOM 267 CB ALA A 19 -1.657 -10.456 4.691 1.00 10.00 C ATOM 0 H ALA A 19 -3.787 -10.236 3.473 1.00 10.00 H new ATOM 0 HA ALA A 19 -3.230 -10.781 6.120 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.853 -10.511 5.425 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.796 -11.435 4.232 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.398 -9.728 3.922 1.00 10.00 H new ATOM 273 N HIS A 20 -2.805 -7.578 5.421 1.00 10.00 N ATOM 274 CA HIS A 20 -2.844 -6.283 6.084 1.00 10.00 C ATOM 275 C HIS A 20 -4.032 -6.216 7.056 1.00 10.00 C ATOM 276 O HIS A 20 -3.818 -6.071 8.256 1.00 10.00 O ATOM 277 CB HIS A 20 -2.899 -5.141 5.066 1.00 10.00 C ATOM 278 CG HIS A 20 -1.625 -4.884 4.304 1.00 10.00 C ATOM 279 ND1 HIS A 20 -1.268 -5.489 3.127 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.690 -3.923 4.579 1.00 10.00 C ATOM 281 CE1 HIS A 20 -0.132 -4.906 2.702 1.00 10.00 C ATOM 282 NE2 HIS A 20 0.265 -3.943 3.555 1.00 10.00 N ATOM 0 H HIS A 20 -2.831 -7.539 4.402 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.925 -6.165 6.657 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -3.692 -5.355 4.350 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -3.179 -4.226 5.588 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -1.771 -6.243 2.659 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.689 -3.265 5.435 1.00 10.00 H new ATOM 0 HE1 HIS A 20 0.392 -5.175 1.797 1.00 10.00 H new ATOM 290 N ALA A 21 -5.276 -6.329 6.571 1.00 10.00 N ATOM 291 CA ALA A 21 -6.468 -6.213 7.413 1.00 10.00 C ATOM 292 C ALA A 21 -6.464 -7.118 8.652 1.00 10.00 C ATOM 293 O ALA A 21 -6.825 -6.675 9.738 1.00 10.00 O ATOM 294 CB ALA A 21 -7.729 -6.451 6.582 1.00 10.00 C ATOM 0 H ALA A 21 -5.481 -6.503 5.587 1.00 10.00 H new ATOM 0 HA ALA A 21 -6.458 -5.193 7.798 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -8.608 -6.362 7.221 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.784 -5.711 5.784 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -7.696 -7.450 6.148 1.00 10.00 H new ATOM 300 N GLU A 22 -6.051 -8.376 8.497 1.00 10.00 N ATOM 301 CA GLU A 22 -5.974 -9.364 9.568 1.00 10.00 C ATOM 302 C GLU A 22 -5.139 -8.843 10.758 1.00 10.00 C ATOM 303 O GLU A 22 -5.453 -9.123 11.913 1.00 10.00 O ATOM 304 CB GLU A 22 -5.400 -10.672 8.991 1.00 10.00 C ATOM 305 CG GLU A 22 -6.228 -11.246 7.815 1.00 10.00 C ATOM 306 CD GLU A 22 -7.058 -12.492 8.107 1.00 10.00 C ATOM 307 OE1 GLU A 22 -7.377 -12.726 9.292 1.00 10.00 O ATOM 308 OE2 GLU A 22 -7.374 -13.181 7.111 1.00 10.00 O ATOM 0 H GLU A 22 -5.752 -8.745 7.594 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.973 -9.556 9.960 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -4.379 -10.493 8.653 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.347 -11.417 9.785 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -6.900 -10.465 7.459 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -5.545 -11.476 6.998 1.00 10.00 H new ATOM 315 N LYS A 23 -4.077 -8.072 10.477 1.00 10.00 N ATOM 316 CA LYS A 23 -3.222 -7.429 11.474 1.00 10.00 C ATOM 317 C LYS A 23 -3.721 -6.029 11.881 1.00 10.00 C ATOM 318 O LYS A 23 -3.676 -5.656 13.050 1.00 10.00 O ATOM 319 CB LYS A 23 -1.806 -7.325 10.886 1.00 10.00 C ATOM 320 CG LYS A 23 -0.761 -7.819 11.885 1.00 10.00 C ATOM 321 CD LYS A 23 0.625 -7.372 11.407 1.00 10.00 C ATOM 322 CE LYS A 23 1.769 -8.038 12.184 1.00 10.00 C ATOM 323 NZ LYS A 23 2.060 -9.392 11.665 1.00 10.00 N ATOM 0 H LYS A 23 -3.785 -7.876 9.520 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.237 -8.036 12.379 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.745 -7.912 9.970 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.596 -6.290 10.616 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.967 -7.417 12.877 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.800 -8.905 11.967 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.730 -7.603 10.347 1.00 10.00 H new ATOM 0 HD3 LYS A 23 0.707 -6.290 11.507 1.00 10.00 H new ATOM 0 HE2 LYS A 23 2.665 -7.421 12.115 1.00 10.00 H new ATOM 0 HE3 LYS A 23 1.505 -8.101 13.240 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 3.089 -9.532 11.619 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 1.641 -10.104 12.297 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 1.654 -9.493 10.713 1.00 10.00 H new ATOM 337 N LEU A 24 -4.110 -5.241 10.878 1.00 10.00 N ATOM 338 CA LEU A 24 -4.506 -3.838 10.929 1.00 10.00 C ATOM 339 C LEU A 24 -6.033 -3.742 11.062 1.00 10.00 C ATOM 340 O LEU A 24 -6.561 -3.813 12.168 1.00 10.00 O ATOM 341 CB LEU A 24 -3.932 -3.158 9.675 1.00 10.00 C ATOM 342 CG LEU A 24 -2.393 -3.090 9.667 1.00 10.00 C ATOM 343 CD1 LEU A 24 -1.894 -2.830 8.243 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.871 -1.979 10.587 1.00 10.00 C ATOM 0 H LEU A 24 -4.159 -5.603 9.926 1.00 10.00 H new ATOM 0 HA LEU A 24 -4.108 -3.317 11.800 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.269 -3.699 8.791 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -4.333 -2.147 9.603 1.00 10.00 H new ATOM 0 HG LEU A 24 -2.019 -4.046 10.033 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.805 -2.783 8.242 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.223 -3.638 7.589 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.299 -1.884 7.883 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.782 -1.962 10.555 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -2.259 -1.017 10.252 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -2.201 -2.168 11.609 1.00 10.00 H new ATOM 356 N GLY A 25 -6.739 -3.591 9.941 1.00 10.00 N ATOM 357 CA GLY A 25 -8.187 -3.579 9.879 1.00 10.00 C ATOM 358 C GLY A 25 -8.599 -3.021 8.519 1.00 10.00 C ATOM 359 O GLY A 25 -7.889 -3.198 7.529 1.00 10.00 O ATOM 0 H GLY A 25 -6.299 -3.471 9.029 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.582 -4.586 10.013 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -8.597 -2.966 10.682 1.00 10.00 H new ATOM 363 N CYS A 26 -9.715 -2.307 8.475 1.00 10.00 N ATOM 364 CA CYS A 26 -10.151 -1.535 7.308 1.00 10.00 C ATOM 365 C CYS A 26 -9.866 -0.056 7.553 1.00 10.00 C ATOM 366 O CYS A 26 -9.163 0.579 6.774 1.00 10.00 O ATOM 367 CB CYS A 26 -11.608 -1.768 6.986 1.00 10.00 C ATOM 368 SG CYS A 26 -12.111 -3.519 7.037 1.00 10.00 S ATOM 0 H CYS A 26 -10.359 -2.244 9.263 1.00 10.00 H new ATOM 0 HA CYS A 26 -9.588 -1.872 6.437 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -12.219 -1.205 7.691 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.818 -1.370 5.993 1.00 10.00 H new ATOM 373 N ASP A 27 -10.375 0.441 8.681 1.00 10.00 N ATOM 374 CA ASP A 27 -9.967 1.604 9.456 1.00 10.00 C ATOM 375 C ASP A 27 -8.542 2.065 9.112 1.00 10.00 C ATOM 376 O ASP A 27 -8.356 3.116 8.503 1.00 10.00 O ATOM 377 CB ASP A 27 -10.125 1.177 10.931 1.00 10.00 C ATOM 378 CG ASP A 27 -9.620 -0.245 11.153 1.00 10.00 C ATOM 379 OD1 ASP A 27 -10.401 -1.166 10.815 1.00 10.00 O ATOM 380 OD2 ASP A 27 -8.413 -0.379 11.431 1.00 10.00 O ATOM 0 H ASP A 27 -11.174 -0.017 9.119 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.580 2.477 9.232 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -9.574 1.865 11.572 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -11.174 1.242 11.220 1.00 10.00 H new ATOM 385 N ALA A 28 -7.553 1.226 9.435 1.00 10.00 N ATOM 386 CA ALA A 28 -6.140 1.330 9.134 1.00 10.00 C ATOM 387 C ALA A 28 -5.784 1.916 7.754 1.00 10.00 C ATOM 388 O ALA A 28 -4.720 2.517 7.606 1.00 10.00 O ATOM 389 CB ALA A 28 -5.577 -0.084 9.296 1.00 10.00 C ATOM 0 H ALA A 28 -7.752 0.378 9.965 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.697 2.054 9.818 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -4.508 -0.077 9.082 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -5.740 -0.426 10.318 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -6.081 -0.758 8.603 1.00 10.00 H new ATOM 395 N CYS A 29 -6.646 1.730 6.748 1.00 10.00 N ATOM 396 CA CYS A 29 -6.477 2.219 5.383 1.00 10.00 C ATOM 397 C CYS A 29 -7.698 3.011 4.872 1.00 10.00 C ATOM 398 O CYS A 29 -7.710 3.452 3.725 1.00 10.00 O ATOM 399 CB CYS A 29 -6.265 1.026 4.496 1.00 10.00 C ATOM 400 SG CYS A 29 -4.709 0.124 4.836 1.00 10.00 S ATOM 0 H CYS A 29 -7.516 1.212 6.872 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.628 2.902 5.368 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -7.105 0.342 4.615 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.265 1.353 3.456 1.00 10.00 H new ATOM 405 N HIS A 30 -8.748 3.161 5.684 1.00 10.00 N ATOM 406 CA HIS A 30 -10.055 3.615 5.240 1.00 10.00 C ATOM 407 C HIS A 30 -10.800 4.344 6.366 1.00 10.00 C ATOM 408 O HIS A 30 -11.477 3.706 7.173 1.00 10.00 O ATOM 409 CB HIS A 30 -10.863 2.396 4.762 1.00 10.00 C ATOM 410 CG HIS A 30 -10.394 1.706 3.515 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.549 2.189 2.245 1.00 10.00 N ATOM 412 CD2 HIS A 30 -10.067 0.385 3.403 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.281 1.186 1.385 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.980 0.052 2.039 1.00 10.00 N ATOM 0 H HIS A 30 -8.706 2.965 6.684 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.930 4.323 4.421 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.876 1.663 5.568 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.893 2.715 4.604 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -10.819 3.140 1.993 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.902 -0.293 4.227 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.305 1.282 0.310 1.00 10.00 H new ATOM 422 N GLU A 31 -10.738 5.679 6.380 1.00 10.00 N ATOM 423 CA GLU A 31 -11.368 6.497 7.408 1.00 10.00 C ATOM 424 C GLU A 31 -12.905 6.563 7.271 1.00 10.00 C ATOM 425 O GLU A 31 -13.478 7.620 7.015 1.00 10.00 O ATOM 426 CB GLU A 31 -10.725 7.892 7.407 1.00 10.00 C ATOM 427 CG GLU A 31 -9.221 7.837 7.725 1.00 10.00 C ATOM 428 CD GLU A 31 -8.613 9.230 7.814 1.00 10.00 C ATOM 429 OE1 GLU A 31 -8.753 9.839 8.896 1.00 10.00 O ATOM 430 OE2 GLU A 31 -8.031 9.658 6.795 1.00 10.00 O ATOM 0 H GLU A 31 -10.245 6.221 5.671 1.00 10.00 H new ATOM 0 HA GLU A 31 -11.193 6.024 8.374 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -10.872 8.358 6.432 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -11.227 8.523 8.141 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.067 7.312 8.668 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -8.707 7.264 6.954 1.00 10.00 H new ATOM 437 N GLY A 32 -13.578 5.423 7.463 1.00 10.00 N ATOM 438 CA GLY A 32 -15.021 5.279 7.287 1.00 10.00 C ATOM 439 C GLY A 32 -15.414 5.074 5.817 1.00 10.00 C ATOM 440 O GLY A 32 -14.762 5.587 4.914 1.00 10.00 O ATOM 0 H GLY A 32 -13.121 4.558 7.751 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -15.373 4.432 7.876 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.522 6.167 7.674 1.00 10.00 H new ATOM 444 N THR A 33 -16.487 4.309 5.571 1.00 10.00 N ATOM 445 CA THR A 33 -17.026 4.029 4.231 1.00 10.00 C ATOM 446 C THR A 33 -15.944 3.542 3.247 1.00 10.00 C ATOM 447 O THR A 33 -15.496 4.309 2.395 1.00 10.00 O ATOM 448 CB THR A 33 -17.775 5.257 3.683 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.694 5.714 4.653 1.00 10.00 O ATOM 450 CG2 THR A 33 -18.593 4.915 2.435 1.00 10.00 C ATOM 0 H THR A 33 -17.017 3.857 6.316 1.00 10.00 H new ATOM 0 HA THR A 33 -17.736 3.208 4.333 1.00 10.00 H new ATOM 0 HB THR A 33 -17.023 6.008 3.438 1.00 10.00 H new ATOM 0 HG1 THR A 33 -19.172 6.497 4.308 1.00 10.00 H new ATOM 0 HG21 THR A 33 -19.106 5.809 2.080 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.928 4.544 1.655 1.00 10.00 H new ATOM 0 HG23 THR A 33 -19.328 4.148 2.680 1.00 10.00 H new ATOM 458 N PRO A 34 -15.500 2.278 3.343 1.00 10.00 N ATOM 459 CA PRO A 34 -14.386 1.789 2.548 1.00 10.00 C ATOM 460 C PRO A 34 -14.742 1.791 1.057 1.00 10.00 C ATOM 461 O PRO A 34 -15.741 1.208 0.643 1.00 10.00 O ATOM 462 CB PRO A 34 -14.088 0.389 3.083 1.00 10.00 C ATOM 463 CG PRO A 34 -15.444 -0.076 3.612 1.00 10.00 C ATOM 464 CD PRO A 34 -16.040 1.213 4.173 1.00 10.00 C ATOM 0 HA PRO A 34 -13.504 2.424 2.631 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.713 -0.270 2.300 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -13.334 0.410 3.870 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -16.064 -0.500 2.822 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -15.339 -0.842 4.380 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -17.129 1.194 4.130 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.765 1.351 5.219 1.00 10.00 H new ATOM 472 N ALA A 35 -13.917 2.469 0.257 1.00 10.00 N ATOM 473 CA ALA A 35 -14.123 2.693 -1.167 1.00 10.00 C ATOM 474 C ALA A 35 -12.763 2.784 -1.873 1.00 10.00 C ATOM 475 O ALA A 35 -11.720 2.688 -1.224 1.00 10.00 O ATOM 476 CB ALA A 35 -14.944 3.976 -1.343 1.00 10.00 C ATOM 0 H ALA A 35 -13.055 2.892 0.601 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.672 1.865 -1.617 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -15.108 4.160 -2.405 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.905 3.865 -0.841 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -14.403 4.817 -0.909 1.00 10.00 H new ATOM 482 N LYS A 36 -12.764 2.945 -3.199 1.00 10.00 N ATOM 483 CA LYS A 36 -11.523 3.039 -3.964 1.00 10.00 C ATOM 484 C LYS A 36 -10.730 4.317 -3.653 1.00 10.00 C ATOM 485 O LYS A 36 -11.321 5.324 -3.263 1.00 10.00 O ATOM 486 CB LYS A 36 -11.794 2.865 -5.460 1.00 10.00 C ATOM 487 CG LYS A 36 -12.550 4.044 -6.084 1.00 10.00 C ATOM 488 CD LYS A 36 -12.916 3.670 -7.524 1.00 10.00 C ATOM 489 CE LYS A 36 -13.645 4.829 -8.212 1.00 10.00 C ATOM 490 NZ LYS A 36 -14.038 4.465 -9.589 1.00 10.00 N ATOM 0 H LYS A 36 -13.611 3.013 -3.763 1.00 10.00 H new ATOM 0 HA LYS A 36 -10.881 2.217 -3.648 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -10.845 2.735 -5.981 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.369 1.952 -5.614 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -13.449 4.266 -5.509 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -11.932 4.942 -6.070 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -12.013 3.419 -8.081 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -13.549 2.783 -7.526 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -14.531 5.099 -7.637 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -13.000 5.707 -8.234 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -14.530 5.267 -10.033 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -13.189 4.230 -10.142 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -14.672 3.641 -9.563 1.00 10.00 H new ATOM 504 N ILE A 37 -9.403 4.272 -3.813 1.00 10.00 N ATOM 505 CA ILE A 37 -8.498 5.366 -3.418 1.00 10.00 C ATOM 506 C ILE A 37 -7.685 5.951 -4.586 1.00 10.00 C ATOM 507 O ILE A 37 -7.135 7.044 -4.492 1.00 10.00 O ATOM 508 CB ILE A 37 -7.634 4.935 -2.205 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.524 4.264 -1.135 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.880 6.127 -1.592 1.00 10.00 C ATOM 511 CD1 ILE A 37 -7.804 3.939 0.179 1.00 10.00 C ATOM 0 H ILE A 37 -8.920 3.472 -4.222 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.116 6.205 -3.097 1.00 10.00 H new ATOM 0 HB ILE A 37 -6.892 4.221 -2.561 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.368 4.919 -0.920 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -8.934 3.342 -1.548 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.286 5.785 -0.745 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.223 6.567 -2.342 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.596 6.876 -1.254 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.504 3.471 0.871 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -6.977 3.257 -0.018 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.418 4.858 0.620 1.00 10.00 H new ATOM 523 N ALA A 38 -7.657 5.227 -5.695 1.00 10.00 N ATOM 524 CA ALA A 38 -6.815 5.394 -6.859 1.00 10.00 C ATOM 525 C ALA A 38 -5.328 5.406 -6.531 1.00 10.00 C ATOM 526 O ALA A 38 -4.709 6.429 -6.232 1.00 10.00 O ATOM 527 CB ALA A 38 -7.254 6.570 -7.690 1.00 10.00 C ATOM 0 H ALA A 38 -8.286 4.432 -5.808 1.00 10.00 H new ATOM 0 HA ALA A 38 -6.950 4.506 -7.476 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.600 6.667 -8.557 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.280 6.416 -8.025 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.200 7.479 -7.091 1.00 10.00 H new ATOM 533 N ILE A 39 -4.773 4.204 -6.578 1.00 10.00 N ATOM 534 CA ILE A 39 -3.365 3.967 -6.319 1.00 10.00 C ATOM 535 C ILE A 39 -2.563 3.902 -7.617 1.00 10.00 C ATOM 536 O ILE A 39 -2.432 2.858 -8.252 1.00 10.00 O ATOM 537 CB ILE A 39 -3.194 2.743 -5.436 1.00 10.00 C ATOM 538 CG1 ILE A 39 -3.986 2.919 -4.133 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.703 2.537 -5.156 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.604 4.113 -3.250 1.00 10.00 C ATOM 0 H ILE A 39 -5.296 3.357 -6.800 1.00 10.00 H new ATOM 0 HA ILE A 39 -2.955 4.813 -5.767 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.582 1.859 -5.942 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.042 3.008 -4.386 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -3.875 2.010 -3.542 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.570 1.660 -4.522 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.173 2.389 -6.097 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.303 3.415 -4.649 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.236 4.126 -2.362 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.559 4.025 -2.951 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.745 5.038 -3.809 1.00 10.00 H new ATOM 552 N ASP A 40 -1.984 5.050 -7.943 1.00 10.00 N ATOM 553 CA ASP A 40 -1.117 5.282 -9.083 1.00 10.00 C ATOM 554 C ASP A 40 0.332 5.423 -8.597 1.00 10.00 C ATOM 555 O ASP A 40 0.584 5.649 -7.411 1.00 10.00 O ATOM 556 CB ASP A 40 -1.553 6.599 -9.748 1.00 10.00 C ATOM 557 CG ASP A 40 -3.018 6.630 -10.157 1.00 10.00 C ATOM 558 OD1 ASP A 40 -3.841 6.961 -9.278 1.00 10.00 O ATOM 559 OD2 ASP A 40 -3.275 6.385 -11.353 1.00 10.00 O ATOM 0 H ASP A 40 -2.117 5.892 -7.383 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.183 4.453 -9.788 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.361 7.422 -9.060 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -0.936 6.770 -10.630 1.00 10.00 H new ATOM 564 N LYS A 41 1.272 5.482 -9.539 1.00 10.00 N ATOM 565 CA LYS A 41 2.650 5.967 -9.413 1.00 10.00 C ATOM 566 C LYS A 41 2.832 7.394 -8.831 1.00 10.00 C ATOM 567 O LYS A 41 3.882 8.009 -9.028 1.00 10.00 O ATOM 568 CB LYS A 41 3.289 5.882 -10.811 1.00 10.00 C ATOM 569 CG LYS A 41 2.554 6.761 -11.835 1.00 10.00 C ATOM 570 CD LYS A 41 3.304 6.744 -13.171 1.00 10.00 C ATOM 571 CE LYS A 41 2.579 7.622 -14.196 1.00 10.00 C ATOM 572 NZ LYS A 41 3.270 7.596 -15.502 1.00 10.00 N ATOM 0 H LYS A 41 1.076 5.166 -10.489 1.00 10.00 H new ATOM 0 HA LYS A 41 3.136 5.330 -8.674 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.333 6.190 -10.752 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.281 4.846 -11.151 1.00 10.00 H new ATOM 0 HG2 LYS A 41 1.536 6.398 -11.975 1.00 10.00 H new ATOM 0 HG3 LYS A 41 2.479 7.783 -11.463 1.00 10.00 H new ATOM 0 HD2 LYS A 41 4.323 7.104 -13.029 1.00 10.00 H new ATOM 0 HD3 LYS A 41 3.376 5.722 -13.543 1.00 10.00 H new ATOM 0 HE2 LYS A 41 1.553 7.274 -14.317 1.00 10.00 H new ATOM 0 HE3 LYS A 41 2.527 8.647 -13.829 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 2.758 8.199 -16.178 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 4.241 7.951 -15.388 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 3.298 6.620 -15.861 1.00 10.00 H new ATOM 586 N LYS A 42 1.843 7.932 -8.115 1.00 10.00 N ATOM 587 CA LYS A 42 1.842 9.218 -7.440 1.00 10.00 C ATOM 588 C LYS A 42 1.412 8.977 -5.985 1.00 10.00 C ATOM 589 O LYS A 42 2.242 9.002 -5.077 1.00 10.00 O ATOM 590 CB LYS A 42 0.892 10.151 -8.210 1.00 10.00 C ATOM 591 CG LYS A 42 0.984 11.611 -7.756 1.00 10.00 C ATOM 592 CD LYS A 42 -0.198 12.386 -8.363 1.00 10.00 C ATOM 593 CE LYS A 42 0.042 13.902 -8.395 1.00 10.00 C ATOM 594 NZ LYS A 42 0.936 14.287 -9.510 1.00 10.00 N ATOM 0 H LYS A 42 0.960 7.439 -7.986 1.00 10.00 H new ATOM 0 HA LYS A 42 2.822 9.694 -7.420 1.00 10.00 H new ATOM 0 HB2 LYS A 42 1.119 10.093 -9.274 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -0.133 9.801 -8.083 1.00 10.00 H new ATOM 0 HG2 LYS A 42 0.958 11.672 -6.668 1.00 10.00 H new ATOM 0 HG3 LYS A 42 1.929 12.049 -8.077 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -0.379 12.029 -9.377 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -1.099 12.177 -7.786 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -0.912 14.420 -8.496 1.00 10.00 H new ATOM 0 HE3 LYS A 42 0.480 14.222 -7.449 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 1.077 15.317 -9.502 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 1.854 13.811 -9.399 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 0.506 14.003 -10.413 1.00 10.00 H new ATOM 608 N SER A 43 0.131 8.659 -5.770 1.00 10.00 N ATOM 609 CA SER A 43 -0.414 8.229 -4.486 1.00 10.00 C ATOM 610 C SER A 43 0.447 7.126 -3.859 1.00 10.00 C ATOM 611 O SER A 43 0.940 7.300 -2.747 1.00 10.00 O ATOM 612 CB SER A 43 -1.877 7.804 -4.693 1.00 10.00 C ATOM 613 OG SER A 43 -2.040 7.142 -5.937 1.00 10.00 O ATOM 0 H SER A 43 -0.572 8.696 -6.508 1.00 10.00 H new ATOM 0 HA SER A 43 -0.394 9.054 -3.774 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.187 7.145 -3.882 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.524 8.681 -4.655 1.00 10.00 H new ATOM 0 HG SER A 43 -2.554 7.712 -6.546 1.00 10.00 H new ATOM 619 N ALA A 44 0.708 6.035 -4.590 1.00 10.00 N ATOM 620 CA ALA A 44 1.523 4.921 -4.101 1.00 10.00 C ATOM 621 C ALA A 44 2.924 5.324 -3.616 1.00 10.00 C ATOM 622 O ALA A 44 3.554 4.584 -2.860 1.00 10.00 O ATOM 623 CB ALA A 44 1.690 3.888 -5.216 1.00 10.00 C ATOM 0 H ALA A 44 0.358 5.902 -5.539 1.00 10.00 H new ATOM 0 HA ALA A 44 0.988 4.521 -3.240 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.296 3.057 -4.855 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.711 3.518 -5.518 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.182 4.352 -6.071 1.00 10.00 H new ATOM 629 N HIS A 45 3.447 6.451 -4.106 1.00 10.00 N ATOM 630 CA HIS A 45 4.807 6.912 -3.848 1.00 10.00 C ATOM 631 C HIS A 45 4.873 8.070 -2.846 1.00 10.00 C ATOM 632 O HIS A 45 5.920 8.289 -2.239 1.00 10.00 O ATOM 633 CB HIS A 45 5.430 7.343 -5.179 1.00 10.00 C ATOM 634 CG HIS A 45 5.495 6.264 -6.229 1.00 10.00 C ATOM 635 ND1 HIS A 45 5.589 6.484 -7.580 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.655 4.920 -6.020 1.00 10.00 C ATOM 637 CE1 HIS A 45 5.831 5.302 -8.164 1.00 10.00 C ATOM 638 NE2 HIS A 45 5.877 4.309 -7.260 1.00 10.00 N ATOM 0 H HIS A 45 2.919 7.082 -4.709 1.00 10.00 H new ATOM 0 HA HIS A 45 5.359 6.086 -3.399 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.858 8.182 -5.576 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.440 7.707 -4.990 1.00 10.00 H new ATOM 0 HD1 HIS A 45 5.492 7.382 -8.053 1.00 10.00 H new ATOM 0 HD2 HIS A 45 5.617 4.418 -5.064 1.00 10.00 H new ATOM 0 HE1 HIS A 45 5.971 5.165 -9.226 1.00 10.00 H new ATOM 646 N LYS A 46 3.775 8.810 -2.681 1.00 10.00 N ATOM 647 CA LYS A 46 3.709 10.008 -1.855 1.00 10.00 C ATOM 648 C LYS A 46 3.604 9.628 -0.369 1.00 10.00 C ATOM 649 O LYS A 46 4.608 9.531 0.335 1.00 10.00 O ATOM 650 CB LYS A 46 2.527 10.856 -2.366 1.00 10.00 C ATOM 651 CG LYS A 46 2.283 12.156 -1.581 1.00 10.00 C ATOM 652 CD LYS A 46 0.897 12.712 -1.940 1.00 10.00 C ATOM 653 CE LYS A 46 0.537 13.927 -1.071 1.00 10.00 C ATOM 654 NZ LYS A 46 -0.856 13.842 -0.580 1.00 10.00 N ATOM 0 H LYS A 46 2.888 8.584 -3.131 1.00 10.00 H new ATOM 0 HA LYS A 46 4.617 10.606 -1.933 1.00 10.00 H new ATOM 0 HB2 LYS A 46 2.703 11.107 -3.412 1.00 10.00 H new ATOM 0 HB3 LYS A 46 1.621 10.251 -2.331 1.00 10.00 H new ATOM 0 HG2 LYS A 46 2.345 11.965 -0.510 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.054 12.888 -1.819 1.00 10.00 H new ATOM 0 HD2 LYS A 46 0.879 12.997 -2.992 1.00 10.00 H new ATOM 0 HD3 LYS A 46 0.146 11.933 -1.808 1.00 10.00 H new ATOM 0 HE2 LYS A 46 1.221 13.987 -0.224 1.00 10.00 H new ATOM 0 HE3 LYS A 46 0.666 14.842 -1.650 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -1.154 14.771 -0.219 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -1.482 13.556 -1.360 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -0.912 13.139 0.184 1.00 10.00 H new ATOM 668 N ASP A 47 2.371 9.439 0.097 1.00 10.00 N ATOM 669 CA ASP A 47 1.970 9.192 1.466 1.00 10.00 C ATOM 670 C ASP A 47 1.301 7.815 1.582 1.00 10.00 C ATOM 671 O ASP A 47 1.729 6.981 2.385 1.00 10.00 O ATOM 672 CB ASP A 47 1.048 10.352 1.887 1.00 10.00 C ATOM 673 CG ASP A 47 -0.017 10.755 0.871 1.00 10.00 C ATOM 674 OD1 ASP A 47 -0.170 10.048 -0.149 1.00 10.00 O ATOM 675 OD2 ASP A 47 -0.610 11.835 1.078 1.00 10.00 O ATOM 0 H ASP A 47 1.567 9.458 -0.530 1.00 10.00 H new ATOM 0 HA ASP A 47 2.826 9.162 2.140 1.00 10.00 H new ATOM 0 HB2 ASP A 47 0.551 10.077 2.817 1.00 10.00 H new ATOM 0 HB3 ASP A 47 1.667 11.223 2.102 1.00 10.00 H new ATOM 680 N ALA A 48 0.267 7.575 0.764 1.00 10.00 N ATOM 681 CA ALA A 48 -0.459 6.312 0.697 1.00 10.00 C ATOM 682 C ALA A 48 0.507 5.124 0.640 1.00 10.00 C ATOM 683 O ALA A 48 1.382 5.066 -0.224 1.00 10.00 O ATOM 684 CB ALA A 48 -1.406 6.302 -0.509 1.00 10.00 C ATOM 0 H ALA A 48 -0.092 8.276 0.116 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.055 6.214 1.604 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -1.940 5.352 -0.544 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.123 7.118 -0.416 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.829 6.428 -1.425 1.00 10.00 H new ATOM 690 N CYS A 49 0.377 4.203 1.602 1.00 10.00 N ATOM 691 CA CYS A 49 1.196 2.997 1.743 1.00 10.00 C ATOM 692 C CYS A 49 2.617 3.300 2.213 1.00 10.00 C ATOM 693 O CYS A 49 3.023 2.836 3.280 1.00 10.00 O ATOM 694 CB CYS A 49 1.172 2.155 0.492 1.00 10.00 C ATOM 695 SG CYS A 49 -0.573 1.851 0.072 1.00 10.00 S ATOM 0 H CYS A 49 -0.331 4.282 2.332 1.00 10.00 H new ATOM 0 HA CYS A 49 0.740 2.403 2.535 1.00 10.00 H new ATOM 0 HB2 CYS A 49 1.680 2.668 -0.325 1.00 10.00 H new ATOM 0 HB3 CYS A 49 1.697 1.214 0.653 1.00 10.00 H new ATOM 700 N LYS A 50 3.360 4.092 1.432 1.00 10.00 N ATOM 701 CA LYS A 50 4.678 4.596 1.788 1.00 10.00 C ATOM 702 C LYS A 50 4.785 4.968 3.271 1.00 10.00 C ATOM 703 O LYS A 50 5.575 4.352 3.975 1.00 10.00 O ATOM 704 CB LYS A 50 5.035 5.783 0.888 1.00 10.00 C ATOM 705 CG LYS A 50 5.498 5.320 -0.499 1.00 10.00 C ATOM 706 CD LYS A 50 7.004 5.506 -0.778 1.00 10.00 C ATOM 707 CE LYS A 50 7.934 4.730 0.172 1.00 10.00 C ATOM 708 NZ LYS A 50 9.362 4.868 -0.217 1.00 10.00 N ATOM 0 H LYS A 50 3.047 4.404 0.513 1.00 10.00 H new ATOM 0 HA LYS A 50 5.398 3.794 1.626 1.00 10.00 H new ATOM 0 HB2 LYS A 50 4.168 6.435 0.784 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.823 6.372 1.357 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.250 4.265 -0.615 1.00 10.00 H new ATOM 0 HG3 LYS A 50 4.933 5.866 -1.255 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.211 5.195 -1.802 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.244 6.567 -0.713 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.798 5.094 1.191 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.657 3.676 0.170 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 9.933 5.076 0.627 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 9.692 3.981 -0.649 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 9.462 5.644 -0.902 1.00 10.00 H new ATOM 722 N THR A 51 4.024 5.952 3.761 1.00 10.00 N ATOM 723 CA THR A 51 4.192 6.474 5.125 1.00 10.00 C ATOM 724 C THR A 51 4.162 5.375 6.196 1.00 10.00 C ATOM 725 O THR A 51 5.078 5.281 7.016 1.00 10.00 O ATOM 726 CB THR A 51 3.167 7.582 5.400 1.00 10.00 C ATOM 727 OG1 THR A 51 3.437 8.650 4.521 1.00 10.00 O ATOM 728 CG2 THR A 51 3.273 8.135 6.824 1.00 10.00 C ATOM 0 H THR A 51 3.281 6.407 3.231 1.00 10.00 H new ATOM 0 HA THR A 51 5.190 6.908 5.188 1.00 10.00 H new ATOM 0 HB THR A 51 2.172 7.157 5.264 1.00 10.00 H new ATOM 0 HG1 THR A 51 2.793 9.372 4.676 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.526 8.916 6.968 1.00 10.00 H new ATOM 0 HG22 THR A 51 3.100 7.332 7.540 1.00 10.00 H new ATOM 0 HG23 THR A 51 4.268 8.552 6.979 1.00 10.00 H new ATOM 736 N CYS A 52 3.139 4.512 6.163 1.00 10.00 N ATOM 737 CA CYS A 52 3.056 3.344 7.044 1.00 10.00 C ATOM 738 C CYS A 52 4.298 2.457 6.868 1.00 10.00 C ATOM 739 O CYS A 52 4.991 2.133 7.831 1.00 10.00 O ATOM 740 CB CYS A 52 1.771 2.597 6.779 1.00 10.00 C ATOM 741 SG CYS A 52 1.499 1.332 8.057 1.00 10.00 S ATOM 0 H CYS A 52 2.348 4.605 5.526 1.00 10.00 H new ATOM 0 HA CYS A 52 3.040 3.665 8.085 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.934 3.295 6.765 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.812 2.127 5.796 1.00 10.00 H new ATOM 746 N HIS A 53 4.642 2.136 5.618 1.00 10.00 N ATOM 747 CA HIS A 53 5.856 1.398 5.294 1.00 10.00 C ATOM 748 C HIS A 53 7.171 2.075 5.736 1.00 10.00 C ATOM 749 O HIS A 53 8.177 1.385 5.894 1.00 10.00 O ATOM 750 CB HIS A 53 5.855 1.095 3.793 1.00 10.00 C ATOM 751 CG HIS A 53 5.145 -0.191 3.494 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.755 -1.415 3.528 1.00 10.00 N ATOM 753 CD2 HIS A 53 3.797 -0.410 3.469 1.00 10.00 C ATOM 754 CE1 HIS A 53 4.795 -2.354 3.503 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.575 -1.800 3.457 1.00 10.00 N ATOM 0 H HIS A 53 4.081 2.384 4.803 1.00 10.00 H new ATOM 0 HA HIS A 53 5.834 0.476 5.876 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.373 1.912 3.256 1.00 10.00 H new ATOM 0 HB3 HIS A 53 6.882 1.038 3.431 1.00 10.00 H new ATOM 0 HD1 HIS A 53 6.760 -1.584 3.566 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.032 0.353 3.460 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.982 -3.418 3.518 1.00 10.00 H new ATOM 763 N LYS A 54 7.207 3.402 5.901 1.00 10.00 N ATOM 764 CA LYS A 54 8.356 4.086 6.471 1.00 10.00 C ATOM 765 C LYS A 54 8.454 3.808 7.973 1.00 10.00 C ATOM 766 O LYS A 54 9.453 3.269 8.445 1.00 10.00 O ATOM 767 CB LYS A 54 8.294 5.581 6.199 1.00 10.00 C ATOM 768 CG LYS A 54 8.324 5.857 4.702 1.00 10.00 C ATOM 769 CD LYS A 54 8.888 7.263 4.538 1.00 10.00 C ATOM 770 CE LYS A 54 8.613 7.841 3.143 1.00 10.00 C ATOM 771 NZ LYS A 54 8.970 9.277 3.073 1.00 10.00 N ATOM 0 H LYS A 54 6.440 4.023 5.642 1.00 10.00 H new ATOM 0 HA LYS A 54 9.254 3.699 5.991 1.00 10.00 H new ATOM 0 HB2 LYS A 54 7.385 5.997 6.632 1.00 10.00 H new ATOM 0 HB3 LYS A 54 9.134 6.079 6.683 1.00 10.00 H new ATOM 0 HG2 LYS A 54 8.945 5.126 4.184 1.00 10.00 H new ATOM 0 HG3 LYS A 54 7.324 5.787 4.273 1.00 10.00 H new ATOM 0 HD2 LYS A 54 8.452 7.918 5.293 1.00 10.00 H new ATOM 0 HD3 LYS A 54 9.963 7.244 4.716 1.00 10.00 H new ATOM 0 HE2 LYS A 54 9.184 7.286 2.399 1.00 10.00 H new ATOM 0 HE3 LYS A 54 7.559 7.714 2.896 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 8.772 9.638 2.118 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 8.407 9.809 3.767 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 9.981 9.394 3.285 1.00 10.00 H new ATOM 785 N SER A 55 7.452 4.262 8.737 1.00 10.00 N ATOM 786 CA SER A 55 7.483 4.269 10.202 1.00 10.00 C ATOM 787 C SER A 55 8.820 4.811 10.735 1.00 10.00 C ATOM 788 O SER A 55 9.349 4.330 11.733 1.00 10.00 O ATOM 789 CB SER A 55 7.164 2.866 10.737 1.00 10.00 C ATOM 790 OG SER A 55 5.825 2.522 10.427 1.00 10.00 O ATOM 0 H SER A 55 6.587 4.639 8.349 1.00 10.00 H new ATOM 0 HA SER A 55 6.714 4.949 10.568 1.00 10.00 H new ATOM 0 HB2 SER A 55 7.846 2.137 10.299 1.00 10.00 H new ATOM 0 HB3 SER A 55 7.315 2.836 11.816 1.00 10.00 H new ATOM 0 HG SER A 55 5.727 2.430 9.456 1.00 10.00 H new ATOM 796 N ASN A 56 9.397 5.780 10.010 1.00 10.00 N ATOM 797 CA ASN A 56 10.719 6.367 10.240 1.00 10.00 C ATOM 798 C ASN A 56 11.917 5.410 10.056 1.00 10.00 C ATOM 799 O ASN A 56 13.054 5.871 10.039 1.00 10.00 O ATOM 800 CB ASN A 56 10.751 7.051 11.610 1.00 10.00 C ATOM 801 CG ASN A 56 9.634 8.075 11.756 1.00 10.00 C ATOM 802 OD1 ASN A 56 9.564 9.044 11.011 1.00 10.00 O ATOM 803 ND2 ASN A 56 8.731 7.875 12.705 1.00 10.00 N ATOM 0 H ASN A 56 8.927 6.195 9.206 1.00 10.00 H new ATOM 0 HA ASN A 56 10.855 7.103 9.447 1.00 10.00 H new ATOM 0 HB2 ASN A 56 10.660 6.299 12.394 1.00 10.00 H new ATOM 0 HB3 ASN A 56 11.714 7.541 11.749 1.00 10.00 H new ATOM 0 HD21 ASN A 56 7.962 8.534 12.824 1.00 10.00 H new ATOM 0 HD22 ASN A 56 8.805 7.062 13.317 1.00 10.00 H new ATOM 810 N ASN A 57 11.692 4.098 9.906 1.00 10.00 N ATOM 811 CA ASN A 57 12.725 3.068 9.800 1.00 10.00 C ATOM 812 C ASN A 57 12.198 1.902 8.950 1.00 10.00 C ATOM 813 O ASN A 57 11.758 0.887 9.484 1.00 10.00 O ATOM 814 CB ASN A 57 13.128 2.576 11.201 1.00 10.00 C ATOM 815 CG ASN A 57 13.871 3.631 12.008 1.00 10.00 C ATOM 816 OD1 ASN A 57 15.076 3.799 11.870 1.00 10.00 O ATOM 817 ND2 ASN A 57 13.176 4.340 12.887 1.00 10.00 N ATOM 0 H ASN A 57 10.749 3.714 9.854 1.00 10.00 H new ATOM 0 HA ASN A 57 13.608 3.488 9.318 1.00 10.00 H new ATOM 0 HB2 ASN A 57 12.234 2.273 11.745 1.00 10.00 H new ATOM 0 HB3 ASN A 57 13.757 1.691 11.103 1.00 10.00 H new ATOM 0 HD21 ASN A 57 13.645 5.040 13.463 1.00 10.00 H new ATOM 0 HD22 ASN A 57 12.173 4.186 12.988 1.00 10.00 H new ATOM 824 N GLY A 58 12.238 2.056 7.623 1.00 10.00 N ATOM 825 CA GLY A 58 11.688 1.088 6.677 1.00 10.00 C ATOM 826 C GLY A 58 12.566 0.939 5.431 1.00 10.00 C ATOM 827 O GLY A 58 13.482 1.735 5.223 1.00 10.00 O ATOM 0 H GLY A 58 12.660 2.868 7.173 1.00 10.00 H new ATOM 0 HA2 GLY A 58 11.587 0.120 7.167 1.00 10.00 H new ATOM 0 HA3 GLY A 58 10.687 1.401 6.380 1.00 10.00 H new ATOM 831 N PRO A 59 12.288 -0.062 4.579 1.00 10.00 N ATOM 832 CA PRO A 59 13.105 -0.371 3.411 1.00 10.00 C ATOM 833 C PRO A 59 13.110 0.782 2.401 1.00 10.00 C ATOM 834 O PRO A 59 14.158 1.112 1.855 1.00 10.00 O ATOM 835 CB PRO A 59 12.511 -1.659 2.829 1.00 10.00 C ATOM 836 CG PRO A 59 11.056 -1.639 3.302 1.00 10.00 C ATOM 837 CD PRO A 59 11.152 -0.966 4.673 1.00 10.00 C ATOM 0 HA PRO A 59 14.154 -0.509 3.675 1.00 10.00 H new ATOM 0 HB2 PRO A 59 12.577 -1.674 1.741 1.00 10.00 H new ATOM 0 HB3 PRO A 59 13.037 -2.542 3.192 1.00 10.00 H new ATOM 0 HG2 PRO A 59 10.417 -1.078 2.620 1.00 10.00 H new ATOM 0 HG3 PRO A 59 10.640 -2.644 3.373 1.00 10.00 H new ATOM 0 HD2 PRO A 59 10.237 -0.424 4.910 1.00 10.00 H new ATOM 0 HD3 PRO A 59 11.300 -1.702 5.463 1.00 10.00 H new ATOM 845 N THR A 60 11.934 1.379 2.161 1.00 10.00 N ATOM 846 CA THR A 60 11.648 2.571 1.346 1.00 10.00 C ATOM 847 C THR A 60 11.980 2.508 -0.160 1.00 10.00 C ATOM 848 O THR A 60 11.218 3.069 -0.957 1.00 10.00 O ATOM 849 CB THR A 60 12.101 3.878 2.026 1.00 10.00 C ATOM 850 OG1 THR A 60 11.525 4.973 1.336 1.00 10.00 O ATOM 851 CG2 THR A 60 13.616 4.099 2.086 1.00 10.00 C ATOM 0 H THR A 60 11.078 1.005 2.571 1.00 10.00 H new ATOM 0 HA THR A 60 10.558 2.575 1.316 1.00 10.00 H new ATOM 0 HB THR A 60 11.766 3.797 3.060 1.00 10.00 H new ATOM 0 HG1 THR A 60 11.805 5.811 1.760 1.00 10.00 H new ATOM 0 HG21 THR A 60 13.826 5.046 2.583 1.00 10.00 H new ATOM 0 HG22 THR A 60 14.081 3.286 2.643 1.00 10.00 H new ATOM 0 HG23 THR A 60 14.021 4.123 1.074 1.00 10.00 H new ATOM 859 N LYS A 61 13.078 1.842 -0.543 1.00 10.00 N ATOM 860 CA LYS A 61 13.489 1.525 -1.908 1.00 10.00 C ATOM 861 C LYS A 61 12.333 0.990 -2.767 1.00 10.00 C ATOM 862 O LYS A 61 11.394 0.376 -2.265 1.00 10.00 O ATOM 863 CB LYS A 61 14.583 0.439 -1.871 1.00 10.00 C ATOM 864 CG LYS A 61 15.943 0.885 -1.316 1.00 10.00 C ATOM 865 CD LYS A 61 16.881 -0.337 -1.309 1.00 10.00 C ATOM 866 CE LYS A 61 18.315 -0.022 -0.857 1.00 10.00 C ATOM 867 NZ LYS A 61 19.085 0.702 -1.893 1.00 10.00 N ATOM 0 H LYS A 61 13.745 1.489 0.143 1.00 10.00 H new ATOM 0 HA LYS A 61 13.849 2.453 -2.352 1.00 10.00 H new ATOM 0 HB2 LYS A 61 14.221 -0.395 -1.270 1.00 10.00 H new ATOM 0 HB3 LYS A 61 14.730 0.062 -2.883 1.00 10.00 H new ATOM 0 HG2 LYS A 61 16.362 1.683 -1.930 1.00 10.00 H new ATOM 0 HG3 LYS A 61 15.830 1.284 -0.308 1.00 10.00 H new ATOM 0 HD2 LYS A 61 16.463 -1.099 -0.651 1.00 10.00 H new ATOM 0 HD3 LYS A 61 16.913 -0.764 -2.312 1.00 10.00 H new ATOM 0 HE2 LYS A 61 18.283 0.577 0.053 1.00 10.00 H new ATOM 0 HE3 LYS A 61 18.828 -0.951 -0.610 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 20.045 0.892 -1.542 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 19.140 0.121 -2.754 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 18.612 1.602 -2.112 1.00 10.00 H new ATOM 881 N CYS A 62 12.458 1.145 -4.087 1.00 10.00 N ATOM 882 CA CYS A 62 11.537 0.591 -5.082 1.00 10.00 C ATOM 883 C CYS A 62 11.289 -0.904 -4.844 1.00 10.00 C ATOM 884 O CYS A 62 10.145 -1.350 -4.735 1.00 10.00 O ATOM 885 CB CYS A 62 12.071 0.847 -6.474 1.00 10.00 C ATOM 886 SG CYS A 62 12.847 2.490 -6.652 1.00 10.00 S ATOM 0 H CYS A 62 13.224 1.674 -4.505 1.00 10.00 H new ATOM 0 HA CYS A 62 10.574 1.092 -4.981 1.00 10.00 H new ATOM 0 HB2 CYS A 62 12.802 0.078 -6.724 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.256 0.757 -7.192 1.00 10.00 H new ATOM 891 N GLY A 63 12.389 -1.648 -4.680 1.00 10.00 N ATOM 892 CA GLY A 63 12.418 -3.064 -4.322 1.00 10.00 C ATOM 893 C GLY A 63 11.682 -3.411 -3.019 1.00 10.00 C ATOM 894 O GLY A 63 11.315 -4.560 -2.803 1.00 10.00 O ATOM 0 H GLY A 63 13.324 -1.258 -4.800 1.00 10.00 H new ATOM 0 HA2 GLY A 63 11.978 -3.640 -5.136 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.457 -3.381 -4.232 1.00 10.00 H new ATOM 898 N GLY A 64 11.445 -2.425 -2.145 1.00 10.00 N ATOM 899 CA GLY A 64 10.608 -2.592 -0.961 1.00 10.00 C ATOM 900 C GLY A 64 9.132 -2.838 -1.301 1.00 10.00 C ATOM 901 O GLY A 64 8.379 -3.288 -0.441 1.00 10.00 O ATOM 0 H GLY A 64 11.832 -1.487 -2.244 1.00 10.00 H new ATOM 0 HA2 GLY A 64 10.984 -3.429 -0.372 1.00 10.00 H new ATOM 0 HA3 GLY A 64 10.688 -1.702 -0.337 1.00 10.00 H new ATOM 905 N CYS A 65 8.719 -2.530 -2.539 1.00 10.00 N ATOM 906 CA CYS A 65 7.367 -2.771 -3.041 1.00 10.00 C ATOM 907 C CYS A 65 7.385 -3.599 -4.325 1.00 10.00 C ATOM 908 O CYS A 65 6.797 -4.672 -4.383 1.00 10.00 O ATOM 909 CB CYS A 65 6.691 -1.458 -3.311 1.00 10.00 C ATOM 910 SG CYS A 65 6.282 -0.589 -1.775 1.00 10.00 S ATOM 0 H CYS A 65 9.332 -2.098 -3.230 1.00 10.00 H new ATOM 0 HA CYS A 65 6.821 -3.330 -2.281 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.342 -0.832 -3.921 1.00 10.00 H new ATOM 0 HB3 CYS A 65 5.781 -1.628 -3.887 1.00 10.00 H new ATOM 915 N HIS A 66 8.026 -3.085 -5.375 1.00 10.00 N ATOM 916 CA HIS A 66 8.049 -3.744 -6.669 1.00 10.00 C ATOM 917 C HIS A 66 8.998 -4.955 -6.629 1.00 10.00 C ATOM 918 O HIS A 66 10.149 -4.795 -6.226 1.00 10.00 O ATOM 919 CB HIS A 66 8.515 -2.730 -7.723 1.00 10.00 C ATOM 920 CG HIS A 66 7.629 -1.537 -7.917 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.677 -1.436 -8.886 1.00 10.00 N ATOM 922 CD2 HIS A 66 7.706 -0.316 -7.306 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.158 -0.205 -8.849 1.00 10.00 C ATOM 924 NE2 HIS A 66 6.755 0.533 -7.908 1.00 10.00 N ATOM 0 H HIS A 66 8.540 -2.204 -5.347 1.00 10.00 H new ATOM 0 HA HIS A 66 7.052 -4.105 -6.923 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.510 -2.379 -7.448 1.00 10.00 H new ATOM 0 HB3 HIS A 66 8.612 -3.246 -8.678 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.405 -2.177 -9.532 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.377 -0.049 -6.503 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.364 0.146 -9.492 1.00 10.00 H new ATOM 932 N ILE A 67 8.577 -6.137 -7.096 1.00 10.00 N ATOM 933 CA ILE A 67 9.535 -7.228 -7.327 1.00 10.00 C ATOM 934 C ILE A 67 10.673 -6.735 -8.240 1.00 10.00 C ATOM 935 O ILE A 67 10.404 -6.138 -9.282 1.00 10.00 O ATOM 936 CB ILE A 67 8.846 -8.470 -7.924 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.637 -8.953 -7.105 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.857 -9.615 -8.090 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.923 -9.202 -5.620 1.00 10.00 C ATOM 0 H ILE A 67 7.607 -6.361 -7.317 1.00 10.00 H new ATOM 0 HA ILE A 67 9.955 -7.527 -6.367 1.00 10.00 H new ATOM 0 HB ILE A 67 8.463 -8.166 -8.898 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.841 -8.213 -7.188 1.00 10.00 H new ATOM 0 HG13 ILE A 67 7.262 -9.876 -7.548 1.00 10.00 H new ATOM 0 HG21 ILE A 67 9.355 -10.485 -8.513 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.659 -9.299 -8.757 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.276 -9.875 -7.118 1.00 10.00 H new ATOM 0 HD11 ILE A 67 7.012 -9.539 -5.126 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.694 -9.966 -5.521 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.267 -8.278 -5.156 1.00 10.00 H new ATOM 951 N LYS A 68 11.931 -6.931 -7.829 1.00 10.00 N ATOM 952 CA LYS A 68 13.091 -6.289 -8.432 1.00 10.00 C ATOM 953 C LYS A 68 14.304 -7.230 -8.472 1.00 10.00 C ATOM 954 O LYS A 68 14.405 -8.077 -7.558 1.00 10.00 O ATOM 955 CB LYS A 68 13.381 -5.005 -7.628 1.00 10.00 C ATOM 956 CG LYS A 68 14.753 -4.380 -7.914 1.00 10.00 C ATOM 957 CD LYS A 68 14.879 -3.936 -9.380 1.00 10.00 C ATOM 958 CE LYS A 68 16.336 -3.998 -9.844 1.00 10.00 C ATOM 959 NZ LYS A 68 16.415 -3.853 -11.311 1.00 10.00 N ATOM 960 OXT LYS A 68 15.131 -7.044 -9.398 1.00 10.00 O ATOM 0 H LYS A 68 12.169 -7.551 -7.055 1.00 10.00 H new ATOM 0 HA LYS A 68 12.884 -6.036 -9.472 1.00 10.00 H new ATOM 0 HB2 LYS A 68 12.607 -4.270 -7.847 1.00 10.00 H new ATOM 0 HB3 LYS A 68 13.313 -5.233 -6.564 1.00 10.00 H new ATOM 0 HG2 LYS A 68 14.906 -3.522 -7.259 1.00 10.00 H new ATOM 0 HG3 LYS A 68 15.537 -5.101 -7.683 1.00 10.00 H new ATOM 0 HD2 LYS A 68 14.264 -4.576 -10.013 1.00 10.00 H new ATOM 0 HD3 LYS A 68 14.500 -2.920 -9.491 1.00 10.00 H new ATOM 0 HE2 LYS A 68 16.912 -3.208 -9.362 1.00 10.00 H new ATOM 0 HE3 LYS A 68 16.781 -4.946 -9.541 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 17.410 -3.897 -11.611 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 15.882 -4.622 -11.765 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 16.009 -2.938 -11.592 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -9.536 -1.700 1.183 1.00 10.00 FE HETATM 976 CHA HEC A 130 -10.215 -0.520 -1.918 1.00 10.00 C HETATM 977 CHB HEC A 130 -12.667 -2.551 1.591 1.00 10.00 C HETATM 978 CHC HEC A 130 -8.711 -3.098 4.091 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.503 -0.481 0.902 1.00 10.00 C HETATM 980 NA HEC A 130 -11.090 -1.576 0.072 1.00 10.00 N HETATM 981 C1A HEC A 130 -11.190 -1.056 -1.168 1.00 10.00 C HETATM 982 C2A HEC A 130 -12.566 -1.099 -1.610 1.00 10.00 C HETATM 983 C3A HEC A 130 -13.270 -1.663 -0.585 1.00 10.00 C HETATM 984 C4A HEC A 130 -12.306 -1.961 0.446 1.00 10.00 C HETATM 985 CMA HEC A 130 -14.767 -1.904 -0.530 1.00 10.00 C HETATM 986 CAA HEC A 130 -13.151 -0.539 -2.895 1.00 10.00 C HETATM 987 CBA HEC A 130 -13.195 -1.536 -4.061 1.00 10.00 C HETATM 988 CGA HEC A 130 -13.871 -0.929 -5.304 1.00 10.00 C HETATM 989 O1A HEC A 130 -15.121 -0.952 -5.345 1.00 10.00 O HETATM 990 O2A HEC A 130 -13.133 -0.409 -6.173 1.00 10.00 O HETATM 991 NB HEC A 130 -10.484 -2.627 2.554 1.00 10.00 N HETATM 992 C1B HEC A 130 -11.786 -2.855 2.547 1.00 10.00 C HETATM 993 C2B HEC A 130 -12.187 -3.546 3.749 1.00 10.00 C HETATM 994 C3B HEC A 130 -11.049 -3.706 4.494 1.00 10.00 C HETATM 995 C4B HEC A 130 -9.988 -3.124 3.698 1.00 10.00 C HETATM 996 CMB HEC A 130 -13.593 -4.006 4.095 1.00 10.00 C HETATM 997 CAB HEC A 130 -10.945 -4.304 5.892 1.00 10.00 C HETATM 998 CBB HEC A 130 -11.122 -5.827 5.935 1.00 10.00 C HETATM 999 NC HEC A 130 -7.963 -1.789 2.239 1.00 10.00 N HETATM 1000 C1C HEC A 130 -7.796 -2.428 3.397 1.00 10.00 C HETATM 1001 C2C HEC A 130 -6.410 -2.363 3.798 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.838 -1.449 2.968 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.812 -1.208 1.946 1.00 10.00 C HETATM 1004 CMC HEC A 130 -5.679 -3.232 4.791 1.00 10.00 C HETATM 1005 CAC HEC A 130 -4.570 -0.654 3.207 1.00 10.00 C HETATM 1006 CBC HEC A 130 -3.283 -1.423 2.930 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.563 -0.731 -0.220 1.00 10.00 N HETATM 1008 C1D HEC A 130 -7.323 -0.319 -0.095 1.00 10.00 C HETATM 1009 C2D HEC A 130 -6.864 0.337 -1.279 1.00 10.00 C HETATM 1010 C3D HEC A 130 -7.919 0.331 -2.135 1.00 10.00 C HETATM 1011 C4D HEC A 130 -8.987 -0.353 -1.430 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.470 0.877 -1.523 1.00 10.00 C HETATM 1013 CAD HEC A 130 -7.993 1.159 -3.393 1.00 10.00 C HETATM 1014 CBD HEC A 130 -7.301 0.628 -4.657 1.00 10.00 C HETATM 1015 CGD HEC A 130 -7.224 1.760 -5.705 1.00 10.00 C HETATM 1016 O1D HEC A 130 -6.245 1.784 -6.496 1.00 10.00 O HETATM 1017 O2D HEC A 130 -8.122 2.639 -5.637 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -5.237 1.634 -0.774 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -4.748 0.064 -1.454 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.421 1.323 -2.517 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -6.150 -3.141 5.770 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -5.719 -4.271 4.464 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -4.639 -2.913 4.858 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -14.260 -3.144 4.129 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -13.944 -4.706 3.337 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -13.586 -4.498 5.068 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -15.292 -0.953 -0.623 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -15.060 -2.562 -1.348 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -15.026 -2.370 0.421 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -6.300 0.271 -4.416 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -7.854 -0.220 -5.060 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -3.236 -2.299 3.578 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -3.267 -1.741 1.888 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -2.425 -0.780 3.126 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -12.106 -6.090 5.546 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -10.352 -6.300 5.325 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -11.034 -6.175 6.964 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -12.181 -1.846 -4.313 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -13.735 -2.432 -3.754 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -9.046 1.311 -3.630 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.572 2.140 -3.171 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -14.163 -0.187 -2.696 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -12.566 0.329 -3.198 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.528 0.004 0.867 1.00 10.00 H new HETATM 0 HHC HEC A 130 -8.415 -3.634 4.993 1.00 10.00 H new HETATM 0 HHB HEC A 130 -13.718 -2.792 1.749 1.00 10.00 H new HETATM 0 HHA HEC A 130 -10.431 -0.217 -2.942 1.00 10.00 H new HETATM 0 H2D HEC A 130 -8.583 2.703 -6.499 1.00 10.00 H new HETATM 0 H2A HEC A 130 -13.653 -0.243 -6.987 1.00 10.00 H new HETATM 1050 FE HEC A 153 1.906 -2.874 3.435 1.00 10.00 FE HETATM 1051 CHA HEC A 153 3.195 -5.803 4.341 1.00 10.00 C HETATM 1052 CHB HEC A 153 2.762 -3.410 0.308 1.00 10.00 C HETATM 1053 CHC HEC A 153 -0.053 -0.381 2.564 1.00 10.00 C HETATM 1054 CHD HEC A 153 1.783 -1.904 6.604 1.00 10.00 C HETATM 1055 NA HEC A 153 2.796 -4.301 2.519 1.00 10.00 N HETATM 1056 C1A HEC A 153 3.223 -5.455 3.053 1.00 10.00 C HETATM 1057 C2A HEC A 153 3.870 -6.258 2.035 1.00 10.00 C HETATM 1058 C3A HEC A 153 3.793 -5.530 0.883 1.00 10.00 C HETATM 1059 C4A HEC A 153 3.090 -4.318 1.222 1.00 10.00 C HETATM 1060 CMA HEC A 153 4.264 -5.966 -0.492 1.00 10.00 C HETATM 1061 CAA HEC A 153 4.657 -7.546 2.196 1.00 10.00 C HETATM 1062 CBA HEC A 153 3.946 -8.780 1.616 1.00 10.00 C HETATM 1063 CGA HEC A 153 4.909 -9.967 1.432 1.00 10.00 C HETATM 1064 O1A HEC A 153 4.823 -10.918 2.241 1.00 10.00 O HETATM 1065 O2A HEC A 153 5.743 -9.881 0.501 1.00 10.00 O HETATM 1066 NB HEC A 153 1.419 -2.101 1.797 1.00 10.00 N HETATM 1067 C1B HEC A 153 1.908 -2.426 0.603 1.00 10.00 C HETATM 1068 C2B HEC A 153 1.385 -1.534 -0.406 1.00 10.00 C HETATM 1069 C3B HEC A 153 0.409 -0.802 0.215 1.00 10.00 C HETATM 1070 C4B HEC A 153 0.571 -1.091 1.625 1.00 10.00 C HETATM 1071 CMB HEC A 153 1.884 -1.379 -1.828 1.00 10.00 C HETATM 1072 CAB HEC A 153 -0.649 0.105 -0.416 1.00 10.00 C HETATM 1073 CBB HEC A 153 -0.791 0.085 -1.938 1.00 10.00 C HETATM 1074 NC HEC A 153 1.018 -1.444 4.393 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.221 -0.533 3.859 1.00 10.00 C HETATM 1076 C2C HEC A 153 -0.291 0.359 4.882 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.262 -0.075 6.058 1.00 10.00 C HETATM 1078 C4C HEC A 153 1.107 -1.195 5.698 1.00 10.00 C HETATM 1079 CMC HEC A 153 -1.201 1.566 4.704 1.00 10.00 C HETATM 1080 CAC HEC A 153 0.020 0.448 7.474 1.00 10.00 C HETATM 1081 CBC HEC A 153 -1.269 1.243 7.763 1.00 10.00 C HETATM 1082 ND HEC A 153 2.421 -3.668 5.105 1.00 10.00 N HETATM 1083 C1D HEC A 153 2.314 -3.092 6.303 1.00 10.00 C HETATM 1084 C2D HEC A 153 2.771 -3.994 7.333 1.00 10.00 C HETATM 1085 C3D HEC A 153 3.136 -5.142 6.690 1.00 10.00 C HETATM 1086 C4D HEC A 153 2.894 -4.904 5.285 1.00 10.00 C HETATM 1087 CMD HEC A 153 2.723 -3.774 8.835 1.00 10.00 C HETATM 1088 CAD HEC A 153 3.667 -6.398 7.354 1.00 10.00 C HETATM 1089 CBD HEC A 153 2.538 -7.385 7.702 1.00 10.00 C HETATM 1090 CGD HEC A 153 2.835 -8.330 8.880 1.00 10.00 C HETATM 1091 O1D HEC A 153 2.136 -9.357 9.032 1.00 10.00 O HETATM 1092 O2D HEC A 153 3.623 -7.985 9.787 1.00 10.00 O HETATM 0 HMD3 HEC A 153 3.301 -2.886 9.091 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 1.689 -3.637 9.150 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 3.145 -4.641 9.343 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -0.716 2.295 4.055 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -2.142 1.249 4.254 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.398 2.019 5.675 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 2.928 -1.065 -1.815 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 1.798 -2.332 -2.350 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 1.286 -0.628 -2.344 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 5.334 -6.174 -0.461 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 3.728 -6.866 -0.792 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 4.069 -5.171 -1.212 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 1.637 -6.816 7.932 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 2.319 -7.987 6.820 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -1.297 2.132 7.133 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -2.137 0.619 7.549 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -1.286 1.540 8.812 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 0.151 0.387 -2.395 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 -1.048 -0.922 -2.266 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -1.578 0.776 -2.239 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 3.131 -9.073 2.278 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 3.500 -8.523 0.655 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 4.383 -6.884 6.691 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 4.206 -6.128 8.262 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 5.626 -7.433 1.709 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 4.851 -7.713 3.256 1.00 10.00 H new HETATM 0 HHD HEC A 153 1.904 -1.505 7.611 1.00 10.00 H new HETATM 0 HHC HEC A 153 -0.809 0.345 2.264 1.00 10.00 H new HETATM 0 HHB HEC A 153 3.194 -3.469 -0.691 1.00 10.00 H new HETATM 0 HHA HEC A 153 3.420 -6.831 4.627 1.00 10.00 H new HETATM 0 H2D HEC A 153 4.176 -8.750 10.048 1.00 10.00 H new HETATM 0 H2A HEC A 153 6.320 -10.673 0.504 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.325 2.435 -7.634 1.00 10.00 FE HETATM 1126 CHA HEC A 166 3.846 2.450 -9.903 1.00 10.00 C HETATM 1127 CHB HEC A 166 8.500 3.126 -10.009 1.00 10.00 C HETATM 1128 CHC HEC A 166 8.613 2.870 -5.308 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.235 1.169 -5.395 1.00 10.00 C HETATM 1130 NA HEC A 166 6.201 2.717 -9.544 1.00 10.00 N HETATM 1131 C1A HEC A 166 5.090 2.711 -10.300 1.00 10.00 C HETATM 1132 C2A HEC A 166 5.438 2.965 -11.685 1.00 10.00 C HETATM 1133 C3A HEC A 166 6.779 3.206 -11.691 1.00 10.00 C HETATM 1134 C4A HEC A 166 7.228 2.973 -10.343 1.00 10.00 C HETATM 1135 CMA HEC A 166 7.597 3.734 -12.856 1.00 10.00 C HETATM 1136 CAA HEC A 166 4.585 2.839 -12.933 1.00 10.00 C HETATM 1137 CBA HEC A 166 5.071 1.705 -13.854 1.00 10.00 C HETATM 1138 CGA HEC A 166 4.278 1.598 -15.167 1.00 10.00 C HETATM 1139 O1A HEC A 166 3.850 0.462 -15.482 1.00 10.00 O HETATM 1140 O2A HEC A 166 4.160 2.647 -15.845 1.00 10.00 O HETATM 1141 NB HEC A 166 8.157 2.894 -7.652 1.00 10.00 N HETATM 1142 C1B HEC A 166 8.888 3.114 -8.737 1.00 10.00 C HETATM 1143 C2B HEC A 166 10.245 3.439 -8.380 1.00 10.00 C HETATM 1144 C3B HEC A 166 10.287 3.412 -7.013 1.00 10.00 C HETATM 1145 C4B HEC A 166 8.946 3.054 -6.592 1.00 10.00 C HETATM 1146 CMB HEC A 166 11.364 3.794 -9.346 1.00 10.00 C HETATM 1147 CAB HEC A 166 11.520 3.620 -6.144 1.00 10.00 C HETATM 1148 CBB HEC A 166 12.032 5.066 -6.154 1.00 10.00 C HETATM 1149 NC HEC A 166 6.406 2.097 -5.747 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.435 2.351 -4.964 1.00 10.00 C HETATM 1151 C2C HEC A 166 7.148 1.963 -3.603 1.00 10.00 C HETATM 1152 C3C HEC A 166 5.897 1.408 -3.627 1.00 10.00 C HETATM 1153 C4C HEC A 166 5.450 1.543 -4.999 1.00 10.00 C HETATM 1154 CMC HEC A 166 8.103 2.025 -2.426 1.00 10.00 C HETATM 1155 CAC HEC A 166 5.194 0.672 -2.485 1.00 10.00 C HETATM 1156 CBC HEC A 166 4.639 1.559 -1.370 1.00 10.00 C HETATM 1157 ND HEC A 166 4.420 1.932 -7.652 1.00 10.00 N HETATM 1158 C1D HEC A 166 3.776 1.399 -6.626 1.00 10.00 C HETATM 1159 C2D HEC A 166 2.410 1.098 -6.990 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.246 1.524 -8.277 1.00 10.00 C HETATM 1161 C4D HEC A 166 3.552 2.029 -8.676 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.333 0.482 -6.116 1.00 10.00 C HETATM 1163 CAD HEC A 166 0.926 1.387 -9.049 1.00 10.00 C HETATM 1164 CBD HEC A 166 0.955 1.062 -10.555 1.00 10.00 C HETATM 1165 CGD HEC A 166 0.761 2.248 -11.529 1.00 10.00 C HETATM 1166 O1D HEC A 166 0.521 1.971 -12.720 1.00 10.00 O HETATM 1167 O2D HEC A 166 0.934 3.413 -11.095 1.00 10.00 O HETATM 0 HMD3 HEC A 166 1.656 -0.503 -5.780 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 1.157 1.121 -5.250 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 0.411 0.385 -6.689 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 8.972 1.399 -2.629 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 8.425 3.055 -2.273 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 7.599 1.665 -1.529 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 11.530 2.963 -10.032 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 11.087 4.683 -9.913 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 12.279 3.991 -8.787 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 7.517 3.046 -13.698 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 7.220 4.713 -13.151 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 8.641 3.822 -12.557 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 1.910 0.589 -10.782 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 0.178 0.325 -10.758 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 5.453 2.124 -0.915 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 3.906 2.250 -1.786 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 4.162 0.936 -0.613 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 12.296 5.351 -7.172 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 11.252 5.731 -5.782 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 12.912 5.145 -5.515 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 6.124 1.863 -14.087 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 5.001 0.758 -13.319 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 0.341 0.609 -8.559 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 0.379 2.322 -8.928 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 3.550 2.655 -12.647 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 4.602 3.782 -13.480 1.00 10.00 H new HETATM 0 HHD HEC A 166 3.589 0.654 -4.684 1.00 10.00 H new HETATM 0 HHC HEC A 166 9.321 3.151 -4.528 1.00 10.00 H new HETATM 0 HHB HEC A 166 9.245 3.265 -10.793 1.00 10.00 H new HETATM 0 HHA HEC A 166 3.032 2.587 -10.615 1.00 10.00 H new HETATM 0 H2D HEC A 166 1.409 3.945 -11.767 1.00 10.00 H new HETATM 0 H2A HEC A 166 3.677 2.448 -16.674 1.00 10.00 H new