USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=24 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 41 LYS NZ :NH3+ 165:sc= 2.1 (180deg=0) USER MOD Set 1.2: A 166 HEC O2A : rot 179:sc= 0.982 USER MOD Set 1.3: A 166 HEC O2D : rot 90:sc= 0.964 USER MOD Set 2.1: A 1 ALA N :NH3+ -158:sc= 1.17 (180deg=-1.27) USER MOD Set 2.2: A 130 HEC O2A : rot -98:sc= 0.582 USER MOD Set 3.1: A 51 THR OG1 : rot 178:sc= 2.2 USER MOD Set 3.2: A 54 LYS NZ :NH3+ -172:sc= 2.42 (180deg=1.12) USER MOD Set 4.1: A 23 LYS NZ :NH3+ 174:sc= 0.905 (180deg=0.484) USER MOD Set 4.2: A 153 HEC O2D : rot -119:sc= 0.751 USER MOD Set 5.1: A 5 THR OG1 : rot 180:sc= 0.647 USER MOD Set 5.2: A 14 THR OG1 : rot 1:sc= 0.443 USER MOD Single : A 6 TYR OH : rot 0:sc= 1.27 USER MOD Single : A 8 ASN : amide:sc= 1.87 K(o=1.9,f=-3.7!) USER MOD Single : A 12 ASN : amide:sc= -0.454 K(o=-0.45,f=-4!) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= 0.56 (180deg=-0.0228) USER MOD Single : A 33 THR OG1 : rot 180:sc=0.000149 USER MOD Single : A 36 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00665) USER MOD Single : A 42 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00564) USER MOD Single : A 43 SER OG : rot 179:sc= 0.964 USER MOD Single : A 46 LYS NZ :NH3+ -112:sc= -0.136 (180deg=-0.98) USER MOD Single : A 50 LYS NZ :NH3+ 149:sc= 1.24 (180deg=0.878) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.689 K(o=-0.69,f=-5!) USER MOD Single : A 57 ASN : amide:sc= 0.226 X(o=0.23,f=-0.0041) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -165:sc= 1.06 (180deg=0.563) USER MOD Single : A 130 HEC O2D : rot 179:sc= 0 USER MOD Single : A 153 HEC O2A : rot 168:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.924 -6.230 -1.388 1.00 10.00 N ATOM 2 CA ALA A 1 -11.566 -7.536 -1.981 1.00 10.00 C ATOM 3 C ALA A 1 -10.492 -8.245 -1.133 1.00 10.00 C ATOM 4 O ALA A 1 -10.504 -8.042 0.078 1.00 10.00 O ATOM 5 CB ALA A 1 -11.183 -7.362 -3.457 1.00 10.00 C ATOM 0 H1 ALA A 1 -12.865 -5.943 -1.724 1.00 10.00 H new ATOM 0 H2 ALA A 1 -11.936 -6.311 -0.351 1.00 10.00 H new ATOM 0 H3 ALA A 1 -11.223 -5.516 -1.671 1.00 10.00 H new ATOM 0 HA ALA A 1 -12.433 -8.197 -1.968 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -10.922 -8.331 -3.882 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -12.026 -6.941 -4.005 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -10.329 -6.690 -3.534 1.00 10.00 H new ATOM 13 N ASP A 2 -9.603 -9.045 -1.739 1.00 10.00 N ATOM 14 CA ASP A 2 -8.547 -9.824 -1.078 1.00 10.00 C ATOM 15 C ASP A 2 -7.166 -9.492 -1.703 1.00 10.00 C ATOM 16 O ASP A 2 -6.976 -8.386 -2.202 1.00 10.00 O ATOM 17 CB ASP A 2 -8.974 -11.299 -1.165 1.00 10.00 C ATOM 18 CG ASP A 2 -8.348 -12.150 -0.074 1.00 10.00 C ATOM 19 OD1 ASP A 2 -7.142 -12.432 -0.223 1.00 10.00 O ATOM 20 OD2 ASP A 2 -9.065 -12.467 0.896 1.00 10.00 O ATOM 0 H ASP A 2 -9.601 -9.172 -2.751 1.00 10.00 H new ATOM 0 HA ASP A 2 -8.424 -9.575 -0.024 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -10.060 -11.365 -1.095 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -8.693 -11.699 -2.139 1.00 10.00 H new ATOM 25 N VAL A 3 -6.172 -10.382 -1.660 1.00 10.00 N ATOM 26 CA VAL A 3 -4.796 -10.086 -2.088 1.00 10.00 C ATOM 27 C VAL A 3 -4.676 -9.700 -3.583 1.00 10.00 C ATOM 28 O VAL A 3 -4.503 -10.557 -4.448 1.00 10.00 O ATOM 29 CB VAL A 3 -3.867 -11.250 -1.682 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.413 -11.030 -2.130 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.837 -11.415 -0.154 1.00 10.00 C ATOM 0 H VAL A 3 -6.297 -11.337 -1.325 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.470 -9.187 -1.564 1.00 10.00 H new ATOM 0 HB VAL A 3 -4.274 -12.134 -2.174 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.804 -11.879 -1.818 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.377 -10.936 -3.215 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -2.026 -10.119 -1.674 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.176 -12.241 0.110 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.470 -10.496 0.304 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.843 -11.625 0.209 1.00 10.00 H new ATOM 41 N VAL A 4 -4.750 -8.397 -3.889 1.00 10.00 N ATOM 42 CA VAL A 4 -4.538 -7.832 -5.234 1.00 10.00 C ATOM 43 C VAL A 4 -3.040 -7.650 -5.574 1.00 10.00 C ATOM 44 O VAL A 4 -2.223 -7.384 -4.697 1.00 10.00 O ATOM 45 CB VAL A 4 -5.295 -6.489 -5.367 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.232 -5.929 -6.796 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.770 -6.621 -4.962 1.00 10.00 C ATOM 0 H VAL A 4 -4.965 -7.686 -3.190 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.936 -8.547 -5.954 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.792 -5.800 -4.688 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -5.777 -4.986 -6.842 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.192 -5.761 -7.075 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -5.683 -6.642 -7.486 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.265 -5.656 -5.070 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.259 -7.353 -5.604 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.834 -6.948 -3.924 1.00 10.00 H new ATOM 57 N THR A 5 -2.667 -7.722 -6.858 1.00 10.00 N ATOM 58 CA THR A 5 -1.300 -7.461 -7.331 1.00 10.00 C ATOM 59 C THR A 5 -1.296 -6.491 -8.516 1.00 10.00 C ATOM 60 O THR A 5 -2.052 -6.660 -9.468 1.00 10.00 O ATOM 61 CB THR A 5 -0.604 -8.789 -7.674 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.204 -9.427 -6.484 1.00 10.00 O ATOM 63 CG2 THR A 5 0.682 -8.618 -8.474 1.00 10.00 C ATOM 0 H THR A 5 -3.314 -7.966 -7.608 1.00 10.00 H new ATOM 0 HA THR A 5 -0.738 -6.978 -6.532 1.00 10.00 H new ATOM 0 HB THR A 5 -1.331 -9.352 -8.259 1.00 10.00 H new ATOM 0 HG1 THR A 5 0.238 -10.274 -6.700 1.00 10.00 H new ATOM 0 HG21 THR A 5 1.116 -9.597 -8.678 1.00 10.00 H new ATOM 0 HG22 THR A 5 0.461 -8.115 -9.416 1.00 10.00 H new ATOM 0 HG23 THR A 5 1.390 -8.019 -7.901 1.00 10.00 H new ATOM 71 N TYR A 6 -0.433 -5.469 -8.453 1.00 10.00 N ATOM 72 CA TYR A 6 -0.295 -4.446 -9.487 1.00 10.00 C ATOM 73 C TYR A 6 0.816 -4.814 -10.466 1.00 10.00 C ATOM 74 O TYR A 6 1.979 -4.473 -10.258 1.00 10.00 O ATOM 75 CB TYR A 6 -0.027 -3.087 -8.831 1.00 10.00 C ATOM 76 CG TYR A 6 -1.296 -2.326 -8.512 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.276 -2.898 -7.681 1.00 10.00 C ATOM 78 CD2 TYR A 6 -1.549 -1.094 -9.139 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.476 -2.210 -7.427 1.00 10.00 C ATOM 80 CE2 TYR A 6 -2.738 -0.401 -8.872 1.00 10.00 C ATOM 81 CZ TYR A 6 -3.700 -0.954 -8.014 1.00 10.00 C ATOM 82 OH TYR A 6 -4.830 -0.246 -7.755 1.00 10.00 O ATOM 0 H TYR A 6 0.199 -5.331 -7.665 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.224 -4.383 -10.054 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.540 -3.238 -7.913 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.594 -2.485 -9.494 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.107 -3.868 -7.237 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -0.827 -0.681 -9.827 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.224 -2.647 -6.782 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -2.914 0.562 -9.328 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.395 -0.748 -7.131 1.00 10.00 H new ATOM 92 N GLU A 7 0.447 -5.501 -11.540 1.00 10.00 N ATOM 93 CA GLU A 7 1.351 -5.986 -12.573 1.00 10.00 C ATOM 94 C GLU A 7 1.834 -4.835 -13.475 1.00 10.00 C ATOM 95 O GLU A 7 1.456 -4.731 -14.638 1.00 10.00 O ATOM 96 CB GLU A 7 0.637 -7.127 -13.310 1.00 10.00 C ATOM 97 CG GLU A 7 0.171 -8.193 -12.307 1.00 10.00 C ATOM 98 CD GLU A 7 -0.423 -9.422 -12.979 1.00 10.00 C ATOM 99 OE1 GLU A 7 -1.488 -9.264 -13.609 1.00 10.00 O ATOM 100 OE2 GLU A 7 0.204 -10.494 -12.836 1.00 10.00 O ATOM 0 H GLU A 7 -0.527 -5.744 -11.721 1.00 10.00 H new ATOM 0 HA GLU A 7 2.271 -6.387 -12.148 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -0.219 -6.736 -13.860 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.309 -7.574 -14.042 1.00 10.00 H new ATOM 0 HG2 GLU A 7 1.016 -8.496 -11.689 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.572 -7.756 -11.639 1.00 10.00 H new ATOM 107 N ASN A 8 2.665 -3.955 -12.903 1.00 10.00 N ATOM 108 CA ASN A 8 3.155 -2.730 -13.529 1.00 10.00 C ATOM 109 C ASN A 8 4.547 -2.923 -14.135 1.00 10.00 C ATOM 110 O ASN A 8 5.220 -3.925 -13.885 1.00 10.00 O ATOM 111 CB ASN A 8 3.164 -1.603 -12.490 1.00 10.00 C ATOM 112 CG ASN A 8 4.241 -1.811 -11.432 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.373 -1.364 -11.576 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.931 -2.539 -10.371 1.00 10.00 N ATOM 0 H ASN A 8 3.025 -4.085 -11.958 1.00 10.00 H new ATOM 0 HA ASN A 8 2.486 -2.465 -14.348 1.00 10.00 H new ATOM 0 HB2 ASN A 8 3.328 -0.649 -12.991 1.00 10.00 H new ATOM 0 HB3 ASN A 8 2.188 -1.547 -12.008 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.638 -2.734 -9.662 1.00 10.00 H new ATOM 0 HD22 ASN A 8 2.985 -2.905 -10.263 1.00 10.00 H new ATOM 121 N ALA A 9 5.011 -1.940 -14.905 1.00 10.00 N ATOM 122 CA ALA A 9 6.259 -2.079 -15.650 1.00 10.00 C ATOM 123 C ALA A 9 7.505 -2.131 -14.758 1.00 10.00 C ATOM 124 O ALA A 9 8.537 -2.651 -15.176 1.00 10.00 O ATOM 125 CB ALA A 9 6.374 -0.933 -16.648 1.00 10.00 C ATOM 0 H ALA A 9 4.543 -1.042 -15.028 1.00 10.00 H new ATOM 0 HA ALA A 9 6.220 -3.038 -16.166 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.304 -1.030 -17.208 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.530 -0.965 -17.337 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.370 0.017 -16.113 1.00 10.00 H new ATOM 131 N ALA A 10 7.430 -1.592 -13.536 1.00 10.00 N ATOM 132 CA ALA A 10 8.583 -1.460 -12.650 1.00 10.00 C ATOM 133 C ALA A 10 8.679 -2.594 -11.622 1.00 10.00 C ATOM 134 O ALA A 10 9.336 -2.427 -10.598 1.00 10.00 O ATOM 135 CB ALA A 10 8.513 -0.090 -11.975 1.00 10.00 C ATOM 0 H ALA A 10 6.562 -1.235 -13.136 1.00 10.00 H new ATOM 0 HA ALA A 10 9.493 -1.538 -13.245 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.366 0.031 -11.307 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.533 0.691 -12.735 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.589 -0.014 -11.401 1.00 10.00 H new ATOM 141 N GLY A 11 8.026 -3.735 -11.876 1.00 10.00 N ATOM 142 CA GLY A 11 7.992 -4.852 -10.929 1.00 10.00 C ATOM 143 C GLY A 11 6.670 -4.858 -10.171 1.00 10.00 C ATOM 144 O GLY A 11 6.248 -3.820 -9.663 1.00 10.00 O ATOM 0 H GLY A 11 7.510 -3.908 -12.739 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.118 -5.794 -11.462 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.822 -4.769 -10.227 1.00 10.00 H new ATOM 148 N ASN A 12 5.992 -5.999 -10.071 1.00 10.00 N ATOM 149 CA ASN A 12 4.756 -6.062 -9.303 1.00 10.00 C ATOM 150 C ASN A 12 5.015 -5.903 -7.805 1.00 10.00 C ATOM 151 O ASN A 12 6.081 -6.255 -7.307 1.00 10.00 O ATOM 152 CB ASN A 12 3.927 -7.295 -9.650 1.00 10.00 C ATOM 153 CG ASN A 12 4.662 -8.616 -9.443 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.884 -8.669 -9.390 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.930 -9.715 -9.360 1.00 10.00 N ATOM 0 H ASN A 12 6.273 -6.878 -10.505 1.00 10.00 H new ATOM 0 HA ASN A 12 4.143 -5.209 -9.594 1.00 10.00 H new ATOM 0 HB2 ASN A 12 3.023 -7.295 -9.041 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.611 -7.226 -10.691 1.00 10.00 H new ATOM 0 HD21 ASN A 12 4.383 -10.622 -9.250 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.913 -9.655 -9.406 1.00 10.00 H new ATOM 162 N VAL A 13 4.040 -5.306 -7.115 1.00 10.00 N ATOM 163 CA VAL A 13 4.177 -4.896 -5.720 1.00 10.00 C ATOM 164 C VAL A 13 3.536 -5.874 -4.729 1.00 10.00 C ATOM 165 O VAL A 13 4.055 -6.079 -3.637 1.00 10.00 O ATOM 166 CB VAL A 13 3.713 -3.441 -5.537 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.398 -3.160 -6.254 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.549 -3.054 -4.066 1.00 10.00 C ATOM 0 H VAL A 13 3.126 -5.093 -7.515 1.00 10.00 H new ATOM 0 HA VAL A 13 5.238 -4.931 -5.473 1.00 10.00 H new ATOM 0 HB VAL A 13 4.506 -2.838 -5.978 1.00 10.00 H new ATOM 0 HG11 VAL A 13 2.112 -2.120 -6.095 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.519 -3.344 -7.321 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.621 -3.814 -5.859 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.220 -2.017 -3.997 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.807 -3.702 -3.600 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.503 -3.167 -3.552 1.00 10.00 H new ATOM 178 N THR A 14 2.384 -6.448 -5.093 1.00 10.00 N ATOM 179 CA THR A 14 1.497 -7.138 -4.161 1.00 10.00 C ATOM 180 C THR A 14 0.911 -6.154 -3.145 1.00 10.00 C ATOM 181 O THR A 14 1.562 -5.693 -2.211 1.00 10.00 O ATOM 182 CB THR A 14 2.118 -8.422 -3.568 1.00 10.00 C ATOM 183 OG1 THR A 14 1.621 -9.514 -4.314 1.00 10.00 O ATOM 184 CG2 THR A 14 1.767 -8.712 -2.104 1.00 10.00 C ATOM 0 H THR A 14 2.041 -6.444 -6.054 1.00 10.00 H new ATOM 0 HA THR A 14 0.644 -7.525 -4.718 1.00 10.00 H new ATOM 0 HB THR A 14 3.197 -8.278 -3.615 1.00 10.00 H new ATOM 0 HG1 THR A 14 1.030 -9.184 -5.023 1.00 10.00 H new ATOM 0 HG21 THR A 14 2.254 -9.635 -1.789 1.00 10.00 H new ATOM 0 HG22 THR A 14 2.110 -7.888 -1.478 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.687 -8.819 -2.003 1.00 10.00 H new ATOM 192 N PHE A 15 -0.357 -5.813 -3.357 1.00 10.00 N ATOM 193 CA PHE A 15 -1.187 -5.298 -2.282 1.00 10.00 C ATOM 194 C PHE A 15 -1.598 -6.483 -1.412 1.00 10.00 C ATOM 195 O PHE A 15 -1.685 -7.608 -1.896 1.00 10.00 O ATOM 196 CB PHE A 15 -2.474 -4.684 -2.850 1.00 10.00 C ATOM 197 CG PHE A 15 -2.388 -3.360 -3.571 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.168 -2.836 -4.038 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.574 -2.626 -3.743 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.118 -1.520 -4.523 1.00 10.00 C ATOM 201 CE2 PHE A 15 -3.522 -1.314 -4.229 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.280 -0.734 -4.534 1.00 10.00 C ATOM 0 H PHE A 15 -0.827 -5.885 -4.260 1.00 10.00 H new ATOM 0 HA PHE A 15 -0.633 -4.543 -1.724 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -2.910 -5.408 -3.539 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.176 -4.566 -2.025 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.275 -3.443 -4.023 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -4.526 -3.074 -3.500 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.186 -1.113 -4.887 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -4.433 -0.751 -4.369 1.00 10.00 H new ATOM 0 HZ PHE A 15 -2.219 0.317 -4.777 1.00 10.00 H new ATOM 212 N ASP A 16 -1.993 -6.201 -0.177 1.00 10.00 N ATOM 213 CA ASP A 16 -2.968 -7.043 0.480 1.00 10.00 C ATOM 214 C ASP A 16 -4.171 -6.176 0.838 1.00 10.00 C ATOM 215 O ASP A 16 -4.021 -5.125 1.459 1.00 10.00 O ATOM 216 CB ASP A 16 -2.381 -7.686 1.729 1.00 10.00 C ATOM 217 CG ASP A 16 -1.010 -8.293 1.527 1.00 10.00 C ATOM 218 OD1 ASP A 16 -0.950 -9.391 0.941 1.00 10.00 O ATOM 219 OD2 ASP A 16 -0.068 -7.659 2.048 1.00 10.00 O ATOM 0 H ASP A 16 -1.658 -5.412 0.375 1.00 10.00 H new ATOM 0 HA ASP A 16 -3.269 -7.851 -0.187 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -2.321 -6.935 2.517 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -3.062 -8.462 2.079 1.00 10.00 H new ATOM 224 N HIS A 17 -5.369 -6.648 0.500 1.00 10.00 N ATOM 225 CA HIS A 17 -6.509 -6.342 1.344 1.00 10.00 C ATOM 226 C HIS A 17 -6.389 -7.168 2.621 1.00 10.00 C ATOM 227 O HIS A 17 -6.281 -6.625 3.720 1.00 10.00 O ATOM 228 CB HIS A 17 -7.812 -6.658 0.602 1.00 10.00 C ATOM 229 CG HIS A 17 -8.567 -5.425 0.231 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.657 -4.878 -1.022 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.963 -4.482 1.131 1.00 10.00 C ATOM 232 CE1 HIS A 17 -9.093 -3.617 -0.865 1.00 10.00 C ATOM 233 NE2 HIS A 17 -9.269 -3.315 0.437 1.00 10.00 N ATOM 0 H HIS A 17 -5.567 -7.221 -0.320 1.00 10.00 H new ATOM 0 HA HIS A 17 -6.524 -5.282 1.597 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.585 -7.227 -0.299 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -8.440 -7.291 1.229 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -8.436 -5.339 -1.904 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -9.028 -4.617 2.201 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -9.279 -2.932 -1.679 1.00 10.00 H new ATOM 241 N LYS A 18 -6.395 -8.492 2.453 1.00 10.00 N ATOM 242 CA LYS A 18 -6.536 -9.433 3.546 1.00 10.00 C ATOM 243 C LYS A 18 -5.408 -9.270 4.566 1.00 10.00 C ATOM 244 O LYS A 18 -5.654 -8.793 5.664 1.00 10.00 O ATOM 245 CB LYS A 18 -6.642 -10.857 2.985 1.00 10.00 C ATOM 246 CG LYS A 18 -7.254 -11.806 4.021 1.00 10.00 C ATOM 247 CD LYS A 18 -7.061 -13.262 3.577 1.00 10.00 C ATOM 248 CE LYS A 18 -7.953 -14.234 4.360 1.00 10.00 C ATOM 249 NZ LYS A 18 -7.807 -14.071 5.825 1.00 10.00 N ATOM 0 H LYS A 18 -6.300 -8.938 1.540 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.457 -9.226 4.091 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -7.254 -10.853 2.083 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.653 -11.214 2.698 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -6.786 -11.648 4.992 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -8.316 -11.591 4.141 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -7.282 -13.347 2.513 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -6.017 -13.544 3.709 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -8.994 -14.074 4.080 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -7.702 -15.258 4.083 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.292 -14.852 6.311 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -6.798 -14.080 6.076 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.228 -13.166 6.117 1.00 10.00 H new ATOM 263 N ALA A 19 -4.173 -9.640 4.223 1.00 10.00 N ATOM 264 CA ALA A 19 -3.097 -9.760 5.208 1.00 10.00 C ATOM 265 C ALA A 19 -2.823 -8.447 5.961 1.00 10.00 C ATOM 266 O ALA A 19 -2.780 -8.421 7.194 1.00 10.00 O ATOM 267 CB ALA A 19 -1.834 -10.304 4.538 1.00 10.00 C ATOM 0 H ALA A 19 -3.893 -9.862 3.268 1.00 10.00 H new ATOM 0 HA ALA A 19 -3.425 -10.469 5.968 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -1.038 -10.390 5.278 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -2.042 -11.286 4.112 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.521 -9.624 3.746 1.00 10.00 H new ATOM 273 N HIS A 20 -2.694 -7.342 5.217 1.00 10.00 N ATOM 274 CA HIS A 20 -2.633 -6.008 5.807 1.00 10.00 C ATOM 275 C HIS A 20 -3.849 -5.764 6.720 1.00 10.00 C ATOM 276 O HIS A 20 -3.680 -5.281 7.834 1.00 10.00 O ATOM 277 CB HIS A 20 -2.497 -4.899 4.748 1.00 10.00 C ATOM 278 CG HIS A 20 -1.101 -4.608 4.224 1.00 10.00 C ATOM 279 ND1 HIS A 20 -0.375 -5.392 3.361 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.405 -3.427 4.365 1.00 10.00 C ATOM 281 CE1 HIS A 20 0.706 -4.699 2.989 1.00 10.00 C ATOM 282 NE2 HIS A 20 0.762 -3.494 3.586 1.00 10.00 N ATOM 0 H HIS A 20 -2.630 -7.351 4.199 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.729 -5.966 6.414 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -3.128 -5.163 3.899 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.899 -3.978 5.170 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -0.618 -6.335 3.058 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.707 -2.588 4.974 1.00 10.00 H new ATOM 0 HE1 HIS A 20 1.447 -5.063 2.292 1.00 10.00 H new ATOM 290 N ALA A 21 -5.074 -6.119 6.307 1.00 10.00 N ATOM 291 CA ALA A 21 -6.229 -6.017 7.198 1.00 10.00 C ATOM 292 C ALA A 21 -6.106 -6.872 8.469 1.00 10.00 C ATOM 293 O ALA A 21 -6.396 -6.382 9.557 1.00 10.00 O ATOM 294 CB ALA A 21 -7.539 -6.296 6.460 1.00 10.00 C ATOM 0 H ALA A 21 -5.285 -6.474 5.374 1.00 10.00 H new ATOM 0 HA ALA A 21 -6.246 -4.981 7.537 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -8.374 -6.211 7.156 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.663 -5.573 5.654 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -7.515 -7.303 6.044 1.00 10.00 H new ATOM 300 N GLU A 22 -5.673 -8.132 8.353 1.00 10.00 N ATOM 301 CA GLU A 22 -5.526 -9.039 9.488 1.00 10.00 C ATOM 302 C GLU A 22 -4.574 -8.463 10.552 1.00 10.00 C ATOM 303 O GLU A 22 -4.859 -8.558 11.745 1.00 10.00 O ATOM 304 CB GLU A 22 -5.117 -10.452 9.015 1.00 10.00 C ATOM 305 CG GLU A 22 -6.065 -10.985 7.930 1.00 10.00 C ATOM 306 CD GLU A 22 -6.263 -12.491 7.858 1.00 10.00 C ATOM 307 OE1 GLU A 22 -7.161 -13.007 8.552 1.00 10.00 O ATOM 308 OE2 GLU A 22 -5.684 -13.104 6.934 1.00 10.00 O ATOM 0 H GLU A 22 -5.414 -8.551 7.460 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.496 -9.139 9.974 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -4.099 -10.425 8.627 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.117 -11.134 9.865 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -7.041 -10.523 8.078 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -5.695 -10.646 6.962 1.00 10.00 H new ATOM 315 N LYS A 23 -3.458 -7.848 10.138 1.00 10.00 N ATOM 316 CA LYS A 23 -2.522 -7.208 11.068 1.00 10.00 C ATOM 317 C LYS A 23 -2.921 -5.781 11.493 1.00 10.00 C ATOM 318 O LYS A 23 -2.710 -5.404 12.644 1.00 10.00 O ATOM 319 CB LYS A 23 -1.097 -7.233 10.488 1.00 10.00 C ATOM 320 CG LYS A 23 -0.133 -7.784 11.546 1.00 10.00 C ATOM 321 CD LYS A 23 1.325 -7.709 11.079 1.00 10.00 C ATOM 322 CE LYS A 23 2.256 -8.296 12.152 1.00 10.00 C ATOM 323 NZ LYS A 23 3.670 -8.183 11.739 1.00 10.00 N ATOM 0 H LYS A 23 -3.182 -7.781 9.158 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.558 -7.797 11.984 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.067 -7.853 9.592 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.795 -6.229 10.191 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.248 -7.220 12.472 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.391 -8.819 11.769 1.00 10.00 H new ATOM 0 HD2 LYS A 23 1.444 -8.257 10.144 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.597 -6.673 10.878 1.00 10.00 H new ATOM 0 HE2 LYS A 23 2.105 -7.773 13.096 1.00 10.00 H new ATOM 0 HE3 LYS A 23 2.005 -9.343 12.324 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 4.285 -8.491 12.519 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 3.838 -8.784 10.907 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 3.884 -7.194 11.500 1.00 10.00 H new ATOM 337 N LEU A 24 -3.428 -4.969 10.560 1.00 10.00 N ATOM 338 CA LEU A 24 -3.656 -3.533 10.727 1.00 10.00 C ATOM 339 C LEU A 24 -5.133 -3.208 11.001 1.00 10.00 C ATOM 340 O LEU A 24 -5.467 -2.708 12.073 1.00 10.00 O ATOM 341 CB LEU A 24 -3.080 -2.767 9.526 1.00 10.00 C ATOM 342 CG LEU A 24 -1.651 -3.170 9.119 1.00 10.00 C ATOM 343 CD1 LEU A 24 -1.280 -2.422 7.835 1.00 10.00 C ATOM 344 CD2 LEU A 24 -0.634 -2.837 10.217 1.00 10.00 C ATOM 0 H LEU A 24 -3.700 -5.307 9.637 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.123 -3.197 11.616 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -3.740 -2.914 8.671 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -3.089 -1.702 9.756 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.626 -4.248 8.961 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.269 -2.697 7.533 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -1.980 -2.688 7.043 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -1.326 -1.348 8.014 1.00 10.00 H new ATOM 0 HD21 LEU A 24 0.363 -3.136 9.893 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -0.646 -1.764 10.411 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -0.895 -3.373 11.129 1.00 10.00 H new ATOM 356 N GLY A 25 -6.018 -3.453 10.032 1.00 10.00 N ATOM 357 CA GLY A 25 -7.439 -3.188 10.093 1.00 10.00 C ATOM 358 C GLY A 25 -7.905 -2.731 8.712 1.00 10.00 C ATOM 359 O GLY A 25 -7.170 -2.792 7.730 1.00 10.00 O ATOM 0 H GLY A 25 -5.738 -3.863 9.141 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -7.979 -4.084 10.398 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -7.650 -2.420 10.837 1.00 10.00 H new ATOM 363 N CYS A 26 -9.119 -2.214 8.654 1.00 10.00 N ATOM 364 CA CYS A 26 -9.630 -1.460 7.506 1.00 10.00 C ATOM 365 C CYS A 26 -9.292 0.015 7.689 1.00 10.00 C ATOM 366 O CYS A 26 -8.686 0.639 6.818 1.00 10.00 O ATOM 367 CB CYS A 26 -11.113 -1.644 7.316 1.00 10.00 C ATOM 368 SG CYS A 26 -11.648 -3.381 7.432 1.00 10.00 S ATOM 0 H CYS A 26 -9.795 -2.304 9.413 1.00 10.00 H new ATOM 0 HA CYS A 26 -9.150 -1.843 6.605 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.643 -1.058 8.066 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.399 -1.248 6.341 1.00 10.00 H new ATOM 373 N ASP A 27 -9.647 0.533 8.865 1.00 10.00 N ATOM 374 CA ASP A 27 -9.326 1.842 9.414 1.00 10.00 C ATOM 375 C ASP A 27 -7.884 2.230 9.059 1.00 10.00 C ATOM 376 O ASP A 27 -7.625 3.266 8.451 1.00 10.00 O ATOM 377 CB ASP A 27 -9.549 1.769 10.938 1.00 10.00 C ATOM 378 CG ASP A 27 -10.853 1.079 11.322 1.00 10.00 C ATOM 379 OD1 ASP A 27 -10.917 -0.147 11.065 1.00 10.00 O ATOM 380 OD2 ASP A 27 -11.748 1.779 11.835 1.00 10.00 O ATOM 0 H ASP A 27 -10.220 -0.007 9.514 1.00 10.00 H new ATOM 0 HA ASP A 27 -9.966 2.616 8.991 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -8.715 1.236 11.396 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.546 2.779 11.348 1.00 10.00 H new ATOM 385 N ALA A 28 -6.964 1.309 9.366 1.00 10.00 N ATOM 386 CA ALA A 28 -5.550 1.302 9.001 1.00 10.00 C ATOM 387 C ALA A 28 -5.220 1.870 7.604 1.00 10.00 C ATOM 388 O ALA A 28 -4.150 2.451 7.427 1.00 10.00 O ATOM 389 CB ALA A 28 -5.039 -0.139 9.126 1.00 10.00 C ATOM 0 H ALA A 28 -7.211 0.488 9.918 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.045 1.981 9.688 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.983 -0.175 8.859 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -5.165 -0.482 10.153 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.605 -0.785 8.455 1.00 10.00 H new ATOM 395 N CYS A 29 -6.102 1.690 6.613 1.00 10.00 N ATOM 396 CA CYS A 29 -5.926 2.182 5.244 1.00 10.00 C ATOM 397 C CYS A 29 -7.059 3.120 4.796 1.00 10.00 C ATOM 398 O CYS A 29 -6.981 3.692 3.710 1.00 10.00 O ATOM 399 CB CYS A 29 -5.892 0.999 4.317 1.00 10.00 C ATOM 400 SG CYS A 29 -4.318 0.068 4.377 1.00 10.00 S ATOM 0 H CYS A 29 -6.979 1.186 6.746 1.00 10.00 H new ATOM 0 HA CYS A 29 -4.998 2.752 5.215 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.712 0.327 4.569 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.063 1.342 3.297 1.00 10.00 H new ATOM 405 N HIS A 30 -8.132 3.248 5.577 1.00 10.00 N ATOM 406 CA HIS A 30 -9.385 3.834 5.130 1.00 10.00 C ATOM 407 C HIS A 30 -9.995 4.738 6.204 1.00 10.00 C ATOM 408 O HIS A 30 -10.396 4.257 7.261 1.00 10.00 O ATOM 409 CB HIS A 30 -10.345 2.686 4.789 1.00 10.00 C ATOM 410 CG HIS A 30 -10.062 1.936 3.522 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.446 2.346 2.274 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.771 0.606 3.436 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.356 1.287 1.444 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.944 0.195 2.102 1.00 10.00 N ATOM 0 H HIS A 30 -8.150 2.942 6.550 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.205 4.458 4.254 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.336 1.976 5.616 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.355 3.092 4.728 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -10.747 3.286 2.017 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.460 -0.026 4.255 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.586 1.315 0.389 1.00 10.00 H new ATOM 422 N GLU A 31 -10.150 6.031 5.904 1.00 10.00 N ATOM 423 CA GLU A 31 -10.813 6.979 6.786 1.00 10.00 C ATOM 424 C GLU A 31 -12.336 6.732 6.845 1.00 10.00 C ATOM 425 O GLU A 31 -13.134 7.523 6.345 1.00 10.00 O ATOM 426 CB GLU A 31 -10.468 8.406 6.336 1.00 10.00 C ATOM 427 CG GLU A 31 -8.956 8.685 6.404 1.00 10.00 C ATOM 428 CD GLU A 31 -8.631 10.112 5.987 1.00 10.00 C ATOM 429 OE1 GLU A 31 -8.736 10.994 6.865 1.00 10.00 O ATOM 430 OE2 GLU A 31 -8.303 10.289 4.795 1.00 10.00 O ATOM 0 H GLU A 31 -9.814 6.446 5.035 1.00 10.00 H new ATOM 0 HA GLU A 31 -10.451 6.840 7.805 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -10.819 8.559 5.315 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -10.997 9.122 6.965 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -8.599 8.511 7.419 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -8.427 7.986 5.756 1.00 10.00 H new ATOM 437 N GLY A 32 -12.741 5.607 7.440 1.00 10.00 N ATOM 438 CA GLY A 32 -14.114 5.118 7.399 1.00 10.00 C ATOM 439 C GLY A 32 -14.518 4.616 6.003 1.00 10.00 C ATOM 440 O GLY A 32 -13.666 4.406 5.140 1.00 10.00 O ATOM 0 H GLY A 32 -12.112 5.004 7.971 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.230 4.309 8.120 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -14.790 5.917 7.704 1.00 10.00 H new ATOM 444 N THR A 33 -15.830 4.416 5.810 1.00 10.00 N ATOM 445 CA THR A 33 -16.538 4.046 4.570 1.00 10.00 C ATOM 446 C THR A 33 -15.627 3.674 3.384 1.00 10.00 C ATOM 447 O THR A 33 -15.402 4.491 2.489 1.00 10.00 O ATOM 448 CB THR A 33 -17.523 5.162 4.188 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.227 5.568 5.341 1.00 10.00 O ATOM 450 CG2 THR A 33 -18.565 4.682 3.176 1.00 10.00 C ATOM 0 H THR A 33 -16.484 4.518 6.586 1.00 10.00 H new ATOM 0 HA THR A 33 -17.077 3.125 4.792 1.00 10.00 H new ATOM 0 HB THR A 33 -16.941 5.974 3.752 1.00 10.00 H new ATOM 0 HG1 THR A 33 -18.856 6.281 5.106 1.00 10.00 H new ATOM 0 HG21 THR A 33 -19.241 5.502 2.933 1.00 10.00 H new ATOM 0 HG22 THR A 33 -18.063 4.345 2.269 1.00 10.00 H new ATOM 0 HG23 THR A 33 -19.134 3.857 3.604 1.00 10.00 H new ATOM 458 N PRO A 34 -15.084 2.447 3.364 1.00 10.00 N ATOM 459 CA PRO A 34 -13.974 2.087 2.495 1.00 10.00 C ATOM 460 C PRO A 34 -14.455 1.800 1.067 1.00 10.00 C ATOM 461 O PRO A 34 -14.454 0.663 0.619 1.00 10.00 O ATOM 462 CB PRO A 34 -13.351 0.865 3.178 1.00 10.00 C ATOM 463 CG PRO A 34 -14.552 0.182 3.825 1.00 10.00 C ATOM 464 CD PRO A 34 -15.373 1.374 4.303 1.00 10.00 C ATOM 0 HA PRO A 34 -13.246 2.889 2.373 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -12.854 0.212 2.461 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -12.604 1.153 3.918 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.103 -0.434 3.115 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -14.257 -0.468 4.649 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.437 1.138 4.314 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.099 1.657 5.319 1.00 10.00 H new ATOM 472 N ALA A 35 -14.881 2.830 0.334 1.00 10.00 N ATOM 473 CA ALA A 35 -15.523 2.661 -0.974 1.00 10.00 C ATOM 474 C ALA A 35 -14.586 2.179 -2.096 1.00 10.00 C ATOM 475 O ALA A 35 -14.995 1.420 -2.970 1.00 10.00 O ATOM 476 CB ALA A 35 -16.223 3.968 -1.352 1.00 10.00 C ATOM 0 H ALA A 35 -14.792 3.803 0.628 1.00 10.00 H new ATOM 0 HA ALA A 35 -16.248 1.853 -0.870 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -16.705 3.855 -2.323 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -16.975 4.209 -0.600 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -15.489 4.772 -1.402 1.00 10.00 H new ATOM 482 N LYS A 36 -13.356 2.687 -2.068 1.00 10.00 N ATOM 483 CA LYS A 36 -12.201 2.534 -2.947 1.00 10.00 C ATOM 484 C LYS A 36 -11.077 3.495 -2.519 1.00 10.00 C ATOM 485 O LYS A 36 -11.290 4.315 -1.627 1.00 10.00 O ATOM 486 CB LYS A 36 -12.580 2.725 -4.416 1.00 10.00 C ATOM 487 CG LYS A 36 -12.997 4.150 -4.813 1.00 10.00 C ATOM 488 CD LYS A 36 -14.515 4.246 -5.043 1.00 10.00 C ATOM 489 CE LYS A 36 -14.959 5.644 -5.496 1.00 10.00 C ATOM 490 NZ LYS A 36 -14.504 5.955 -6.868 1.00 10.00 N ATOM 0 H LYS A 36 -13.112 3.316 -1.303 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.831 1.513 -2.851 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.732 2.428 -5.033 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -13.399 2.046 -4.653 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -12.701 4.849 -4.031 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -12.470 4.446 -5.720 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -14.811 3.514 -5.794 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -15.035 3.985 -4.121 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -16.046 5.711 -5.451 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -14.565 6.390 -4.806 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -14.869 6.887 -7.152 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -13.464 5.967 -6.895 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -14.859 5.230 -7.524 1.00 10.00 H new ATOM 504 N ILE A 37 -9.907 3.422 -3.166 1.00 10.00 N ATOM 505 CA ILE A 37 -8.819 4.402 -3.058 1.00 10.00 C ATOM 506 C ILE A 37 -8.185 4.563 -4.450 1.00 10.00 C ATOM 507 O ILE A 37 -7.998 3.569 -5.147 1.00 10.00 O ATOM 508 CB ILE A 37 -7.763 3.954 -2.022 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.407 3.717 -0.642 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.637 4.998 -1.918 1.00 10.00 C ATOM 511 CD1 ILE A 37 -7.405 3.369 0.462 1.00 10.00 C ATOM 0 H ILE A 37 -9.684 2.654 -3.800 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.216 5.357 -2.713 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.335 3.011 -2.361 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -8.957 4.612 -0.351 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.134 2.910 -0.726 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -5.901 4.668 -1.184 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.155 5.112 -2.889 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.056 5.955 -1.607 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -7.937 3.217 1.401 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -6.872 2.456 0.195 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -6.692 4.185 0.576 1.00 10.00 H new ATOM 523 N ALA A 38 -7.865 5.791 -4.874 1.00 10.00 N ATOM 524 CA ALA A 38 -7.233 6.026 -6.173 1.00 10.00 C ATOM 525 C ALA A 38 -5.711 5.837 -6.125 1.00 10.00 C ATOM 526 O ALA A 38 -4.975 6.667 -5.593 1.00 10.00 O ATOM 527 CB ALA A 38 -7.588 7.410 -6.703 1.00 10.00 C ATOM 0 H ALA A 38 -8.035 6.639 -4.333 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.626 5.276 -6.859 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -7.108 7.564 -7.669 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.669 7.489 -6.818 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.241 8.168 -6.001 1.00 10.00 H new ATOM 533 N ILE A 39 -5.256 4.732 -6.712 1.00 10.00 N ATOM 534 CA ILE A 39 -3.862 4.306 -6.766 1.00 10.00 C ATOM 535 C ILE A 39 -3.208 4.688 -8.105 1.00 10.00 C ATOM 536 O ILE A 39 -3.803 4.506 -9.165 1.00 10.00 O ATOM 537 CB ILE A 39 -3.811 2.793 -6.525 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.417 2.415 -5.160 1.00 10.00 C ATOM 539 CG2 ILE A 39 -2.388 2.247 -6.711 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.746 3.078 -3.947 1.00 10.00 C ATOM 0 H ILE A 39 -5.881 4.079 -7.185 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.292 4.818 -5.991 1.00 10.00 H new ATOM 0 HB ILE A 39 -4.433 2.313 -7.281 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.474 2.681 -5.162 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.361 1.333 -5.041 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -2.385 1.172 -6.533 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -2.051 2.448 -7.728 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.716 2.734 -6.004 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.242 2.751 -3.033 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.695 2.793 -3.912 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.825 4.162 -4.035 1.00 10.00 H new ATOM 552 N ASP A 40 -1.968 5.183 -8.020 1.00 10.00 N ATOM 553 CA ASP A 40 -1.062 5.543 -9.109 1.00 10.00 C ATOM 554 C ASP A 40 0.247 6.054 -8.481 1.00 10.00 C ATOM 555 O ASP A 40 0.298 6.287 -7.271 1.00 10.00 O ATOM 556 CB ASP A 40 -1.721 6.616 -9.988 1.00 10.00 C ATOM 557 CG ASP A 40 -0.775 7.274 -10.967 1.00 10.00 C ATOM 558 OD1 ASP A 40 -0.289 6.563 -11.867 1.00 10.00 O ATOM 559 OD2 ASP A 40 -0.435 8.445 -10.699 1.00 10.00 O ATOM 0 H ASP A 40 -1.540 5.355 -7.110 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.845 4.685 -9.745 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.543 6.163 -10.542 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.154 7.383 -9.345 1.00 10.00 H new ATOM 564 N LYS A 41 1.265 6.317 -9.296 1.00 10.00 N ATOM 565 CA LYS A 41 2.499 7.001 -8.891 1.00 10.00 C ATOM 566 C LYS A 41 2.274 8.430 -8.367 1.00 10.00 C ATOM 567 O LYS A 41 3.158 8.998 -7.733 1.00 10.00 O ATOM 568 CB LYS A 41 3.577 6.960 -9.988 1.00 10.00 C ATOM 569 CG LYS A 41 3.084 7.290 -11.412 1.00 10.00 C ATOM 570 CD LYS A 41 3.089 5.981 -12.212 1.00 10.00 C ATOM 571 CE LYS A 41 2.372 6.009 -13.565 1.00 10.00 C ATOM 572 NZ LYS A 41 2.031 4.629 -13.994 1.00 10.00 N ATOM 0 H LYS A 41 1.259 6.056 -10.282 1.00 10.00 H new ATOM 0 HA LYS A 41 2.874 6.430 -8.042 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.367 7.662 -9.723 1.00 10.00 H new ATOM 0 HB3 LYS A 41 4.024 5.966 -9.998 1.00 10.00 H new ATOM 0 HG2 LYS A 41 2.082 7.718 -11.382 1.00 10.00 H new ATOM 0 HG3 LYS A 41 3.733 8.030 -11.881 1.00 10.00 H new ATOM 0 HD2 LYS A 41 4.125 5.687 -12.380 1.00 10.00 H new ATOM 0 HD3 LYS A 41 2.632 5.204 -11.599 1.00 10.00 H new ATOM 0 HE2 LYS A 41 1.465 6.609 -13.492 1.00 10.00 H new ATOM 0 HE3 LYS A 41 3.008 6.483 -14.312 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 1.335 4.667 -14.766 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 2.890 4.146 -14.326 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 1.628 4.105 -13.191 1.00 10.00 H new ATOM 586 N LYS A 42 1.095 9.021 -8.564 1.00 10.00 N ATOM 587 CA LYS A 42 0.717 10.274 -7.936 1.00 10.00 C ATOM 588 C LYS A 42 0.203 10.049 -6.506 1.00 10.00 C ATOM 589 O LYS A 42 0.205 10.987 -5.713 1.00 10.00 O ATOM 590 CB LYS A 42 -0.327 10.951 -8.835 1.00 10.00 C ATOM 591 CG LYS A 42 -0.574 12.421 -8.481 1.00 10.00 C ATOM 592 CD LYS A 42 -1.595 12.993 -9.477 1.00 10.00 C ATOM 593 CE LYS A 42 -1.853 14.491 -9.270 1.00 10.00 C ATOM 594 NZ LYS A 42 -0.688 15.310 -9.667 1.00 10.00 N ATOM 0 H LYS A 42 0.373 8.634 -9.171 1.00 10.00 H new ATOM 0 HA LYS A 42 1.584 10.927 -7.836 1.00 10.00 H new ATOM 0 HB2 LYS A 42 0.000 10.885 -9.873 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -1.267 10.405 -8.762 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -0.949 12.508 -7.461 1.00 10.00 H new ATOM 0 HG3 LYS A 42 0.358 12.984 -8.527 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -1.236 12.828 -10.493 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -2.535 12.450 -9.379 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -2.724 14.793 -9.851 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -2.088 14.678 -8.222 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -0.914 16.318 -9.544 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 0.129 15.063 -9.072 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -0.458 15.126 -10.664 1.00 10.00 H new ATOM 608 N SER A 43 -0.211 8.820 -6.167 1.00 10.00 N ATOM 609 CA SER A 43 -0.765 8.471 -4.859 1.00 10.00 C ATOM 610 C SER A 43 0.187 7.577 -4.048 1.00 10.00 C ATOM 611 O SER A 43 0.719 7.989 -3.014 1.00 10.00 O ATOM 612 CB SER A 43 -2.134 7.794 -5.031 1.00 10.00 C ATOM 613 OG SER A 43 -3.067 8.659 -5.644 1.00 10.00 O ATOM 0 H SER A 43 -0.168 8.029 -6.809 1.00 10.00 H new ATOM 0 HA SER A 43 -0.891 9.395 -4.295 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.022 6.893 -5.633 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.511 7.482 -4.057 1.00 10.00 H new ATOM 0 HG SER A 43 -3.922 8.193 -5.753 1.00 10.00 H new ATOM 619 N ALA A 44 0.391 6.351 -4.545 1.00 10.00 N ATOM 620 CA ALA A 44 1.136 5.246 -3.938 1.00 10.00 C ATOM 621 C ALA A 44 2.552 5.643 -3.508 1.00 10.00 C ATOM 622 O ALA A 44 3.095 5.161 -2.517 1.00 10.00 O ATOM 623 CB ALA A 44 1.208 4.097 -4.944 1.00 10.00 C ATOM 0 H ALA A 44 0.009 6.087 -5.453 1.00 10.00 H new ATOM 0 HA ALA A 44 0.607 4.946 -3.033 1.00 10.00 H new ATOM 0 HB1 ALA A 44 1.760 3.265 -4.507 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.199 3.770 -5.196 1.00 10.00 H new ATOM 0 HB3 ALA A 44 1.716 4.435 -5.847 1.00 10.00 H new ATOM 629 N HIS A 45 3.162 6.510 -4.313 1.00 10.00 N ATOM 630 CA HIS A 45 4.499 7.045 -4.108 1.00 10.00 C ATOM 631 C HIS A 45 4.526 8.244 -3.145 1.00 10.00 C ATOM 632 O HIS A 45 5.548 8.477 -2.503 1.00 10.00 O ATOM 633 CB HIS A 45 5.066 7.413 -5.478 1.00 10.00 C ATOM 634 CG HIS A 45 5.723 6.277 -6.221 1.00 10.00 C ATOM 635 ND1 HIS A 45 6.651 6.457 -7.214 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.564 4.922 -6.035 1.00 10.00 C ATOM 637 CE1 HIS A 45 7.055 5.241 -7.607 1.00 10.00 C ATOM 638 NE2 HIS A 45 6.430 4.270 -6.921 1.00 10.00 N ATOM 0 H HIS A 45 2.718 6.871 -5.158 1.00 10.00 H new ATOM 0 HA HIS A 45 5.117 6.285 -3.629 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.259 7.812 -6.093 1.00 10.00 H new ATOM 0 HB3 HIS A 45 5.795 8.213 -5.350 1.00 10.00 H new ATOM 0 HD1 HIS A 45 6.974 7.351 -7.585 1.00 10.00 H new ATOM 0 HD2 HIS A 45 4.893 4.448 -5.333 1.00 10.00 H new ATOM 0 HE1 HIS A 45 7.790 5.064 -8.378 1.00 10.00 H new ATOM 646 N LYS A 46 3.429 9.001 -3.016 1.00 10.00 N ATOM 647 CA LYS A 46 3.378 10.111 -2.067 1.00 10.00 C ATOM 648 C LYS A 46 3.091 9.613 -0.649 1.00 10.00 C ATOM 649 O LYS A 46 3.880 9.843 0.275 1.00 10.00 O ATOM 650 CB LYS A 46 2.300 11.140 -2.450 1.00 10.00 C ATOM 651 CG LYS A 46 2.659 11.994 -3.667 1.00 10.00 C ATOM 652 CD LYS A 46 1.633 13.119 -3.913 1.00 10.00 C ATOM 653 CE LYS A 46 1.510 14.141 -2.768 1.00 10.00 C ATOM 654 NZ LYS A 46 0.445 13.778 -1.803 1.00 10.00 N ATOM 0 H LYS A 46 2.573 8.864 -3.554 1.00 10.00 H new ATOM 0 HA LYS A 46 4.357 10.589 -2.100 1.00 10.00 H new ATOM 0 HB2 LYS A 46 1.366 10.615 -2.650 1.00 10.00 H new ATOM 0 HB3 LYS A 46 2.120 11.797 -1.599 1.00 10.00 H new ATOM 0 HG2 LYS A 46 3.647 12.431 -3.523 1.00 10.00 H new ATOM 0 HG3 LYS A 46 2.717 11.358 -4.550 1.00 10.00 H new ATOM 0 HD2 LYS A 46 1.907 13.648 -4.826 1.00 10.00 H new ATOM 0 HD3 LYS A 46 0.656 12.669 -4.086 1.00 10.00 H new ATOM 0 HE2 LYS A 46 2.463 14.213 -2.244 1.00 10.00 H new ATOM 0 HE3 LYS A 46 1.300 15.126 -3.184 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -0.331 14.467 -1.867 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 0.084 12.828 -2.025 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 0.834 13.784 -0.838 1.00 10.00 H new ATOM 668 N ASP A 47 1.901 9.028 -0.477 1.00 10.00 N ATOM 669 CA ASP A 47 1.224 9.033 0.812 1.00 10.00 C ATOM 670 C ASP A 47 0.377 7.773 1.047 1.00 10.00 C ATOM 671 O ASP A 47 0.703 6.983 1.934 1.00 10.00 O ATOM 672 CB ASP A 47 0.438 10.342 0.929 1.00 10.00 C ATOM 673 CG ASP A 47 -0.034 10.524 2.355 1.00 10.00 C ATOM 674 OD1 ASP A 47 0.761 11.096 3.130 1.00 10.00 O ATOM 675 OD2 ASP A 47 -1.142 10.036 2.643 1.00 10.00 O ATOM 0 H ASP A 47 1.391 8.547 -1.218 1.00 10.00 H new ATOM 0 HA ASP A 47 1.959 8.995 1.616 1.00 10.00 H new ATOM 0 HB2 ASP A 47 1.065 11.183 0.633 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -0.416 10.327 0.252 1.00 10.00 H new ATOM 680 N ALA A 48 -0.648 7.538 0.218 1.00 10.00 N ATOM 681 CA ALA A 48 -1.299 6.232 0.144 1.00 10.00 C ATOM 682 C ALA A 48 -0.226 5.150 -0.038 1.00 10.00 C ATOM 683 O ALA A 48 0.708 5.359 -0.807 1.00 10.00 O ATOM 684 CB ALA A 48 -2.297 6.223 -1.016 1.00 10.00 C ATOM 0 H ALA A 48 -1.042 8.239 -0.410 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.847 6.028 1.064 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.782 5.249 -1.071 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -3.050 6.995 -0.854 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.771 6.419 -1.950 1.00 10.00 H new ATOM 690 N CYS A 49 -0.287 4.060 0.733 1.00 10.00 N ATOM 691 CA CYS A 49 0.825 3.118 0.937 1.00 10.00 C ATOM 692 C CYS A 49 2.006 3.773 1.659 1.00 10.00 C ATOM 693 O CYS A 49 2.354 3.425 2.791 1.00 10.00 O ATOM 694 CB CYS A 49 1.308 2.454 -0.341 1.00 10.00 C ATOM 695 SG CYS A 49 0.002 1.834 -1.431 1.00 10.00 S ATOM 0 H CYS A 49 -1.129 3.799 1.246 1.00 10.00 H new ATOM 0 HA CYS A 49 0.410 2.333 1.570 1.00 10.00 H new ATOM 0 HB2 CYS A 49 1.913 3.170 -0.897 1.00 10.00 H new ATOM 0 HB3 CYS A 49 1.962 1.623 -0.075 1.00 10.00 H new ATOM 700 N LYS A 50 2.657 4.696 0.956 1.00 10.00 N ATOM 701 CA LYS A 50 3.943 5.248 1.317 1.00 10.00 C ATOM 702 C LYS A 50 3.999 5.790 2.743 1.00 10.00 C ATOM 703 O LYS A 50 4.812 5.287 3.498 1.00 10.00 O ATOM 704 CB LYS A 50 4.472 6.220 0.254 1.00 10.00 C ATOM 705 CG LYS A 50 5.516 5.551 -0.658 1.00 10.00 C ATOM 706 CD LYS A 50 6.976 5.542 -0.152 1.00 10.00 C ATOM 707 CE LYS A 50 7.179 4.702 1.116 1.00 10.00 C ATOM 708 NZ LYS A 50 8.596 4.560 1.519 1.00 10.00 N ATOM 0 H LYS A 50 2.284 5.088 0.091 1.00 10.00 H new ATOM 0 HA LYS A 50 4.643 4.413 1.329 1.00 10.00 H new ATOM 0 HB2 LYS A 50 3.642 6.586 -0.350 1.00 10.00 H new ATOM 0 HB3 LYS A 50 4.917 7.087 0.742 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.208 4.519 -0.827 1.00 10.00 H new ATOM 0 HG3 LYS A 50 5.494 6.053 -1.625 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.623 5.158 -0.940 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.290 6.567 0.046 1.00 10.00 H new ATOM 0 HE2 LYS A 50 6.622 5.157 1.935 1.00 10.00 H new ATOM 0 HE3 LYS A 50 6.756 3.710 0.955 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 8.656 4.476 2.554 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 8.998 3.708 1.079 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 9.131 5.396 1.208 1.00 10.00 H new ATOM 722 N THR A 51 3.197 6.779 3.146 1.00 10.00 N ATOM 723 CA THR A 51 3.334 7.437 4.457 1.00 10.00 C ATOM 724 C THR A 51 3.358 6.480 5.659 1.00 10.00 C ATOM 725 O THR A 51 4.106 6.710 6.607 1.00 10.00 O ATOM 726 CB THR A 51 2.340 8.601 4.597 1.00 10.00 C ATOM 727 OG1 THR A 51 2.846 9.664 3.814 1.00 10.00 O ATOM 728 CG2 THR A 51 2.214 9.139 6.024 1.00 10.00 C ATOM 0 H THR A 51 2.435 7.149 2.578 1.00 10.00 H new ATOM 0 HA THR A 51 4.335 7.868 4.480 1.00 10.00 H new ATOM 0 HB THR A 51 1.360 8.233 4.291 1.00 10.00 H new ATOM 0 HG1 THR A 51 2.221 10.418 3.844 1.00 10.00 H new ATOM 0 HG21 THR A 51 1.495 9.958 6.042 1.00 10.00 H new ATOM 0 HG22 THR A 51 1.873 8.342 6.685 1.00 10.00 H new ATOM 0 HG23 THR A 51 3.185 9.501 6.363 1.00 10.00 H new ATOM 736 N CYS A 52 2.618 5.371 5.613 1.00 10.00 N ATOM 737 CA CYS A 52 2.792 4.302 6.603 1.00 10.00 C ATOM 738 C CYS A 52 4.184 3.662 6.461 1.00 10.00 C ATOM 739 O CYS A 52 4.992 3.652 7.392 1.00 10.00 O ATOM 740 CB CYS A 52 1.679 3.306 6.449 1.00 10.00 C ATOM 741 SG CYS A 52 1.744 2.108 7.806 1.00 10.00 S ATOM 0 H CYS A 52 1.901 5.189 4.911 1.00 10.00 H new ATOM 0 HA CYS A 52 2.740 4.709 7.613 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.717 3.818 6.448 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.767 2.792 5.492 1.00 10.00 H new ATOM 746 N HIS A 53 4.528 3.262 5.236 1.00 10.00 N ATOM 747 CA HIS A 53 5.869 2.857 4.815 1.00 10.00 C ATOM 748 C HIS A 53 6.959 3.980 4.877 1.00 10.00 C ATOM 749 O HIS A 53 7.875 4.010 4.046 1.00 10.00 O ATOM 750 CB HIS A 53 5.728 2.278 3.401 1.00 10.00 C ATOM 751 CG HIS A 53 5.179 0.883 3.344 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.938 -0.244 3.188 1.00 10.00 N ATOM 753 CD2 HIS A 53 3.869 0.499 3.404 1.00 10.00 C ATOM 754 CE1 HIS A 53 5.094 -1.294 3.187 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.812 -0.904 3.311 1.00 10.00 N ATOM 0 H HIS A 53 3.849 3.209 4.477 1.00 10.00 H new ATOM 0 HA HIS A 53 6.243 2.120 5.525 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.080 2.933 2.819 1.00 10.00 H new ATOM 0 HB3 HIS A 53 6.706 2.288 2.920 1.00 10.00 H new ATOM 0 HD1 HIS A 53 6.953 -0.282 3.091 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.021 1.160 3.506 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.408 -2.323 3.098 1.00 10.00 H new ATOM 763 N LYS A 54 6.894 4.884 5.862 1.00 10.00 N ATOM 764 CA LYS A 54 7.881 5.893 6.234 1.00 10.00 C ATOM 765 C LYS A 54 8.197 5.802 7.731 1.00 10.00 C ATOM 766 O LYS A 54 9.360 5.764 8.120 1.00 10.00 O ATOM 767 CB LYS A 54 7.334 7.265 5.936 1.00 10.00 C ATOM 768 CG LYS A 54 7.104 7.382 4.438 1.00 10.00 C ATOM 769 CD LYS A 54 6.933 8.853 4.102 1.00 10.00 C ATOM 770 CE LYS A 54 6.354 9.047 2.686 1.00 10.00 C ATOM 771 NZ LYS A 54 5.215 9.998 2.630 1.00 10.00 N ATOM 0 H LYS A 54 6.076 4.928 6.469 1.00 10.00 H new ATOM 0 HA LYS A 54 8.792 5.718 5.661 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.400 7.425 6.475 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.032 8.032 6.272 1.00 10.00 H new ATOM 0 HG2 LYS A 54 7.947 6.961 3.889 1.00 10.00 H new ATOM 0 HG3 LYS A 54 6.219 6.819 4.143 1.00 10.00 H new ATOM 0 HD2 LYS A 54 6.273 9.320 4.833 1.00 10.00 H new ATOM 0 HD3 LYS A 54 7.896 9.358 4.174 1.00 10.00 H new ATOM 0 HE2 LYS A 54 7.145 9.402 2.026 1.00 10.00 H new ATOM 0 HE3 LYS A 54 6.028 8.081 2.301 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 4.791 9.977 1.680 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 4.500 9.725 3.334 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 5.555 10.959 2.836 1.00 10.00 H new ATOM 785 N SER A 55 7.153 5.772 8.575 1.00 10.00 N ATOM 786 CA SER A 55 7.274 5.702 10.032 1.00 10.00 C ATOM 787 C SER A 55 7.654 4.285 10.495 1.00 10.00 C ATOM 788 O SER A 55 6.934 3.633 11.248 1.00 10.00 O ATOM 789 CB SER A 55 5.970 6.196 10.671 1.00 10.00 C ATOM 790 OG SER A 55 6.193 6.477 12.040 1.00 10.00 O ATOM 0 H SER A 55 6.185 5.796 8.253 1.00 10.00 H new ATOM 0 HA SER A 55 8.084 6.353 10.360 1.00 10.00 H new ATOM 0 HB2 SER A 55 5.617 7.091 10.158 1.00 10.00 H new ATOM 0 HB3 SER A 55 5.192 5.440 10.566 1.00 10.00 H new ATOM 0 HG SER A 55 5.361 6.794 12.449 1.00 10.00 H new ATOM 796 N ASN A 56 8.789 3.794 9.994 1.00 10.00 N ATOM 797 CA ASN A 56 9.358 2.480 10.252 1.00 10.00 C ATOM 798 C ASN A 56 10.767 2.446 9.641 1.00 10.00 C ATOM 799 O ASN A 56 11.141 3.337 8.880 1.00 10.00 O ATOM 800 CB ASN A 56 8.478 1.384 9.628 1.00 10.00 C ATOM 801 CG ASN A 56 8.589 1.412 8.110 1.00 10.00 C ATOM 802 OD1 ASN A 56 9.429 0.737 7.527 1.00 10.00 O ATOM 803 ND2 ASN A 56 7.795 2.225 7.436 1.00 10.00 N ATOM 0 H ASN A 56 9.368 4.342 9.358 1.00 10.00 H new ATOM 0 HA ASN A 56 9.408 2.296 11.325 1.00 10.00 H new ATOM 0 HB2 ASN A 56 8.783 0.407 10.003 1.00 10.00 H new ATOM 0 HB3 ASN A 56 7.440 1.530 9.925 1.00 10.00 H new ATOM 0 HD21 ASN A 56 7.878 2.294 6.422 1.00 10.00 H new ATOM 0 HD22 ASN A 56 7.099 2.783 7.930 1.00 10.00 H new ATOM 810 N ASN A 57 11.539 1.400 9.928 1.00 10.00 N ATOM 811 CA ASN A 57 12.840 1.153 9.298 1.00 10.00 C ATOM 812 C ASN A 57 12.891 -0.245 8.655 1.00 10.00 C ATOM 813 O ASN A 57 13.789 -1.032 8.943 1.00 10.00 O ATOM 814 CB ASN A 57 13.968 1.361 10.325 1.00 10.00 C ATOM 815 CG ASN A 57 14.143 2.791 10.843 1.00 10.00 C ATOM 816 OD1 ASN A 57 14.873 3.009 11.800 1.00 10.00 O ATOM 817 ND2 ASN A 57 13.516 3.798 10.248 1.00 10.00 N ATOM 0 H ASN A 57 11.278 0.690 10.612 1.00 10.00 H new ATOM 0 HA ASN A 57 12.984 1.871 8.491 1.00 10.00 H new ATOM 0 HB2 ASN A 57 13.783 0.706 11.177 1.00 10.00 H new ATOM 0 HB3 ASN A 57 14.907 1.041 9.874 1.00 10.00 H new ATOM 0 HD21 ASN A 57 13.643 4.751 10.589 1.00 10.00 H new ATOM 0 HD22 ASN A 57 12.907 3.619 9.450 1.00 10.00 H new ATOM 824 N GLY A 58 11.929 -0.542 7.773 1.00 10.00 N ATOM 825 CA GLY A 58 11.853 -1.799 7.026 1.00 10.00 C ATOM 826 C GLY A 58 11.869 -1.571 5.502 1.00 10.00 C ATOM 827 O GLY A 58 12.781 -0.908 4.994 1.00 10.00 O ATOM 0 H GLY A 58 11.167 0.100 7.556 1.00 10.00 H new ATOM 0 HA2 GLY A 58 12.691 -2.437 7.305 1.00 10.00 H new ATOM 0 HA3 GLY A 58 10.942 -2.330 7.303 1.00 10.00 H new ATOM 831 N PRO A 59 10.886 -2.103 4.748 1.00 10.00 N ATOM 832 CA PRO A 59 10.856 -2.021 3.292 1.00 10.00 C ATOM 833 C PRO A 59 10.543 -0.591 2.827 1.00 10.00 C ATOM 834 O PRO A 59 9.407 -0.218 2.523 1.00 10.00 O ATOM 835 CB PRO A 59 9.838 -3.063 2.829 1.00 10.00 C ATOM 836 CG PRO A 59 8.879 -3.147 4.011 1.00 10.00 C ATOM 837 CD PRO A 59 9.768 -2.901 5.227 1.00 10.00 C ATOM 0 HA PRO A 59 11.825 -2.241 2.844 1.00 10.00 H new ATOM 0 HB2 PRO A 59 9.329 -2.753 1.916 1.00 10.00 H new ATOM 0 HB3 PRO A 59 10.309 -4.024 2.621 1.00 10.00 H new ATOM 0 HG2 PRO A 59 8.088 -2.400 3.937 1.00 10.00 H new ATOM 0 HG3 PRO A 59 8.393 -4.121 4.062 1.00 10.00 H new ATOM 0 HD2 PRO A 59 9.221 -2.377 6.011 1.00 10.00 H new ATOM 0 HD3 PRO A 59 10.114 -3.842 5.654 1.00 10.00 H new ATOM 845 N THR A 60 11.613 0.203 2.797 1.00 10.00 N ATOM 846 CA THR A 60 11.705 1.591 2.362 1.00 10.00 C ATOM 847 C THR A 60 12.052 1.677 0.870 1.00 10.00 C ATOM 848 O THR A 60 11.369 2.367 0.111 1.00 10.00 O ATOM 849 CB THR A 60 12.805 2.269 3.193 1.00 10.00 C ATOM 850 OG1 THR A 60 13.931 1.410 3.265 1.00 10.00 O ATOM 851 CG2 THR A 60 12.335 2.562 4.620 1.00 10.00 C ATOM 0 H THR A 60 12.521 -0.145 3.106 1.00 10.00 H new ATOM 0 HA THR A 60 10.746 2.088 2.507 1.00 10.00 H new ATOM 0 HB THR A 60 13.057 3.211 2.706 1.00 10.00 H new ATOM 0 HG1 THR A 60 14.636 1.839 3.793 1.00 10.00 H new ATOM 0 HG21 THR A 60 13.140 3.041 5.177 1.00 10.00 H new ATOM 0 HG22 THR A 60 11.470 3.225 4.589 1.00 10.00 H new ATOM 0 HG23 THR A 60 12.060 1.629 5.111 1.00 10.00 H new ATOM 859 N LYS A 61 13.135 0.992 0.477 1.00 10.00 N ATOM 860 CA LYS A 61 13.635 0.845 -0.893 1.00 10.00 C ATOM 861 C LYS A 61 12.545 0.424 -1.896 1.00 10.00 C ATOM 862 O LYS A 61 11.612 -0.295 -1.544 1.00 10.00 O ATOM 863 CB LYS A 61 14.737 -0.230 -0.901 1.00 10.00 C ATOM 864 CG LYS A 61 16.061 0.201 -0.250 1.00 10.00 C ATOM 865 CD LYS A 61 16.954 0.961 -1.245 1.00 10.00 C ATOM 866 CE LYS A 61 18.322 1.253 -0.613 1.00 10.00 C ATOM 867 NZ LYS A 61 19.246 1.897 -1.574 1.00 10.00 N ATOM 0 H LYS A 61 13.720 0.496 1.150 1.00 10.00 H new ATOM 0 HA LYS A 61 14.008 1.821 -1.204 1.00 10.00 H new ATOM 0 HB2 LYS A 61 14.366 -1.115 -0.385 1.00 10.00 H new ATOM 0 HB3 LYS A 61 14.933 -0.522 -1.933 1.00 10.00 H new ATOM 0 HG2 LYS A 61 15.855 0.834 0.613 1.00 10.00 H new ATOM 0 HG3 LYS A 61 16.590 -0.678 0.118 1.00 10.00 H new ATOM 0 HD2 LYS A 61 17.083 0.372 -2.153 1.00 10.00 H new ATOM 0 HD3 LYS A 61 16.473 1.895 -1.537 1.00 10.00 H new ATOM 0 HE2 LYS A 61 18.191 1.900 0.254 1.00 10.00 H new ATOM 0 HE3 LYS A 61 18.762 0.323 -0.253 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 20.159 2.078 -1.110 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 19.391 1.269 -2.390 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 18.838 2.797 -1.898 1.00 10.00 H new ATOM 881 N CYS A 62 12.723 0.792 -3.172 1.00 10.00 N ATOM 882 CA CYS A 62 11.889 0.349 -4.298 1.00 10.00 C ATOM 883 C CYS A 62 11.612 -1.159 -4.237 1.00 10.00 C ATOM 884 O CYS A 62 10.459 -1.593 -4.252 1.00 10.00 O ATOM 885 CB CYS A 62 12.550 0.694 -5.617 1.00 10.00 C ATOM 886 SG CYS A 62 13.304 2.351 -5.661 1.00 10.00 S ATOM 0 H CYS A 62 13.472 1.423 -3.457 1.00 10.00 H new ATOM 0 HA CYS A 62 10.937 0.874 -4.223 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.319 -0.049 -5.831 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.808 0.623 -6.412 1.00 10.00 H new ATOM 891 N GLY A 63 12.693 -1.939 -4.113 1.00 10.00 N ATOM 892 CA GLY A 63 12.686 -3.393 -3.976 1.00 10.00 C ATOM 893 C GLY A 63 11.863 -3.912 -2.790 1.00 10.00 C ATOM 894 O GLY A 63 11.388 -5.042 -2.813 1.00 10.00 O ATOM 0 H GLY A 63 13.637 -1.552 -4.106 1.00 10.00 H new ATOM 0 HA2 GLY A 63 12.294 -3.831 -4.894 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.713 -3.741 -3.870 1.00 10.00 H new ATOM 898 N GLY A 64 11.675 -3.092 -1.748 1.00 10.00 N ATOM 899 CA GLY A 64 10.798 -3.411 -0.631 1.00 10.00 C ATOM 900 C GLY A 64 9.323 -3.487 -1.046 1.00 10.00 C ATOM 901 O GLY A 64 8.528 -4.124 -0.361 1.00 10.00 O ATOM 0 H GLY A 64 12.133 -2.185 -1.663 1.00 10.00 H new ATOM 0 HA2 GLY A 64 11.100 -4.364 -0.197 1.00 10.00 H new ATOM 0 HA3 GLY A 64 10.915 -2.656 0.146 1.00 10.00 H new ATOM 905 N CYS A 65 8.958 -2.844 -2.163 1.00 10.00 N ATOM 906 CA CYS A 65 7.641 -2.982 -2.776 1.00 10.00 C ATOM 907 C CYS A 65 7.728 -3.812 -4.058 1.00 10.00 C ATOM 908 O CYS A 65 7.180 -4.905 -4.127 1.00 10.00 O ATOM 909 CB CYS A 65 7.040 -1.626 -3.041 1.00 10.00 C ATOM 910 SG CYS A 65 6.541 -0.818 -1.490 1.00 10.00 S ATOM 0 H CYS A 65 9.578 -2.209 -2.667 1.00 10.00 H new ATOM 0 HA CYS A 65 6.986 -3.510 -2.082 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.763 -1.000 -3.565 1.00 10.00 H new ATOM 0 HB3 CYS A 65 6.175 -1.730 -3.696 1.00 10.00 H new ATOM 915 N HIS A 66 8.393 -3.294 -5.089 1.00 10.00 N ATOM 916 CA HIS A 66 8.404 -3.909 -6.408 1.00 10.00 C ATOM 917 C HIS A 66 9.371 -5.106 -6.470 1.00 10.00 C ATOM 918 O HIS A 66 10.540 -4.947 -6.126 1.00 10.00 O ATOM 919 CB HIS A 66 8.818 -2.843 -7.430 1.00 10.00 C ATOM 920 CG HIS A 66 7.909 -1.656 -7.534 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.954 -1.515 -8.494 1.00 10.00 N ATOM 922 CD2 HIS A 66 8.016 -0.452 -6.894 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.472 -0.268 -8.438 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.087 0.434 -7.476 1.00 10.00 N ATOM 0 H HIS A 66 8.939 -2.435 -5.030 1.00 10.00 H new ATOM 0 HA HIS A 66 7.408 -4.290 -6.631 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.818 -2.491 -7.176 1.00 10.00 H new ATOM 0 HB3 HIS A 66 8.885 -3.313 -8.411 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.656 -2.239 -9.147 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.693 -0.221 -6.085 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.694 0.119 -9.080 1.00 10.00 H new ATOM 932 N ILE A 67 8.945 -6.267 -6.984 1.00 10.00 N ATOM 933 CA ILE A 67 9.892 -7.345 -7.307 1.00 10.00 C ATOM 934 C ILE A 67 10.998 -6.826 -8.244 1.00 10.00 C ATOM 935 O ILE A 67 10.706 -6.261 -9.297 1.00 10.00 O ATOM 936 CB ILE A 67 9.176 -8.559 -7.931 1.00 10.00 C ATOM 937 CG1 ILE A 67 8.034 -9.110 -7.059 1.00 10.00 C ATOM 938 CG2 ILE A 67 10.181 -9.680 -8.241 1.00 10.00 C ATOM 939 CD1 ILE A 67 8.439 -9.482 -5.627 1.00 10.00 C ATOM 0 H ILE A 67 7.968 -6.483 -7.183 1.00 10.00 H new ATOM 0 HA ILE A 67 10.350 -7.677 -6.375 1.00 10.00 H new ATOM 0 HB ILE A 67 8.724 -8.199 -8.855 1.00 10.00 H new ATOM 0 HG12 ILE A 67 7.238 -8.366 -7.015 1.00 10.00 H new ATOM 0 HG13 ILE A 67 7.618 -9.993 -7.545 1.00 10.00 H new ATOM 0 HG21 ILE A 67 9.656 -10.528 -8.681 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.930 -9.313 -8.943 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.671 -9.995 -7.319 1.00 10.00 H new ATOM 0 HD11 ILE A 67 7.569 -9.860 -5.090 1.00 10.00 H new ATOM 0 HD12 ILE A 67 9.211 -10.251 -5.655 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.825 -8.599 -5.117 1.00 10.00 H new ATOM 951 N LYS A 68 12.263 -6.982 -7.845 1.00 10.00 N ATOM 952 CA LYS A 68 13.412 -6.324 -8.439 1.00 10.00 C ATOM 953 C LYS A 68 14.677 -7.063 -7.974 1.00 10.00 C ATOM 954 O LYS A 68 14.608 -7.682 -6.891 1.00 10.00 O ATOM 955 CB LYS A 68 13.380 -4.866 -7.951 1.00 10.00 C ATOM 956 CG LYS A 68 14.652 -4.033 -8.143 1.00 10.00 C ATOM 957 CD LYS A 68 14.874 -3.499 -9.572 1.00 10.00 C ATOM 958 CE LYS A 68 15.500 -4.479 -10.576 1.00 10.00 C ATOM 959 NZ LYS A 68 16.759 -5.068 -10.075 1.00 10.00 N ATOM 960 OXT LYS A 68 15.698 -6.971 -8.692 1.00 10.00 O ATOM 0 H LYS A 68 12.516 -7.595 -7.070 1.00 10.00 H new ATOM 0 HA LYS A 68 13.401 -6.339 -9.529 1.00 10.00 H new ATOM 0 HB2 LYS A 68 12.563 -4.357 -8.462 1.00 10.00 H new ATOM 0 HB3 LYS A 68 13.137 -4.871 -6.888 1.00 10.00 H new ATOM 0 HG2 LYS A 68 14.621 -3.187 -7.456 1.00 10.00 H new ATOM 0 HG3 LYS A 68 15.512 -4.641 -7.861 1.00 10.00 H new ATOM 0 HD2 LYS A 68 13.913 -3.171 -9.968 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.511 -2.617 -9.512 1.00 10.00 H new ATOM 0 HE2 LYS A 68 14.789 -5.277 -10.793 1.00 10.00 H new ATOM 0 HE3 LYS A 68 15.693 -3.960 -11.515 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 17.271 -5.514 -10.863 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 17.349 -4.321 -9.656 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 16.544 -5.785 -9.353 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -9.696 -1.590 1.273 1.00 10.00 FE HETATM 976 CHA HEC A 130 -10.587 -0.691 -1.819 1.00 10.00 C HETATM 977 CHB HEC A 130 -12.778 -2.464 1.983 1.00 10.00 C HETATM 978 CHC HEC A 130 -8.638 -2.889 4.158 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.644 -0.496 0.646 1.00 10.00 C HETATM 980 NA HEC A 130 -11.321 -1.532 0.320 1.00 10.00 N HETATM 981 C1A HEC A 130 -11.495 -1.169 -0.959 1.00 10.00 C HETATM 982 C2A HEC A 130 -12.867 -1.370 -1.348 1.00 10.00 C HETATM 983 C3A HEC A 130 -13.512 -1.837 -0.240 1.00 10.00 C HETATM 984 C4A HEC A 130 -12.499 -1.957 0.780 1.00 10.00 C HETATM 985 CMA HEC A 130 -14.999 -2.122 -0.110 1.00 10.00 C HETATM 986 CAA HEC A 130 -13.435 -1.290 -2.746 1.00 10.00 C HETATM 987 CBA HEC A 130 -13.000 -2.481 -3.625 1.00 10.00 C HETATM 988 CGA HEC A 130 -12.654 -3.776 -2.851 1.00 10.00 C HETATM 989 O1A HEC A 130 -11.454 -4.031 -2.585 1.00 10.00 O HETATM 990 O2A HEC A 130 -13.561 -4.551 -2.464 1.00 10.00 O HETATM 991 NB HEC A 130 -10.533 -2.447 2.779 1.00 10.00 N HETATM 992 C1B HEC A 130 -11.828 -2.693 2.885 1.00 10.00 C HETATM 993 C2B HEC A 130 -12.125 -3.344 4.140 1.00 10.00 C HETATM 994 C3B HEC A 130 -10.923 -3.501 4.774 1.00 10.00 C HETATM 995 C4B HEC A 130 -9.943 -2.912 3.886 1.00 10.00 C HETATM 996 CMB HEC A 130 -13.491 -3.820 4.603 1.00 10.00 C HETATM 997 CAB HEC A 130 -10.680 -4.174 6.121 1.00 10.00 C HETATM 998 CBB HEC A 130 -10.964 -5.681 6.115 1.00 10.00 C HETATM 999 NC HEC A 130 -8.020 -1.712 2.168 1.00 10.00 N HETATM 1000 C1C HEC A 130 -7.775 -2.301 3.338 1.00 10.00 C HETATM 1001 C2C HEC A 130 -6.372 -2.228 3.656 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.826 -1.422 2.703 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.876 -1.179 1.752 1.00 10.00 C HETATM 1004 CMC HEC A 130 -5.669 -2.808 4.862 1.00 10.00 C HETATM 1005 CAC HEC A 130 -4.475 -0.737 2.758 1.00 10.00 C HETATM 1006 CBC HEC A 130 -3.327 -1.655 2.340 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.827 -0.688 -0.242 1.00 10.00 N HETATM 1008 C1D HEC A 130 -7.559 -0.339 -0.278 1.00 10.00 C HETATM 1009 C2D HEC A 130 -7.201 0.186 -1.567 1.00 10.00 C HETATM 1010 C3D HEC A 130 -8.336 0.115 -2.319 1.00 10.00 C HETATM 1011 C4D HEC A 130 -9.346 -0.430 -1.436 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.795 0.527 -2.027 1.00 10.00 C HETATM 1013 CAD HEC A 130 -8.407 0.277 -3.820 1.00 10.00 C HETATM 1014 CBD HEC A 130 -8.037 -1.047 -4.511 1.00 10.00 C HETATM 1015 CGD HEC A 130 -7.877 -0.933 -6.033 1.00 10.00 C HETATM 1016 O1D HEC A 130 -6.815 -1.382 -6.527 1.00 10.00 O HETATM 1017 O2D HEC A 130 -8.806 -0.392 -6.670 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -5.373 1.289 -1.372 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -5.173 -0.368 -1.991 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.828 0.905 -3.049 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -6.088 -2.375 5.770 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -5.807 -3.889 4.878 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -4.605 -2.579 4.808 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -14.175 -2.972 4.651 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -13.877 -4.558 3.899 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -13.403 -4.272 5.591 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -15.562 -1.207 -0.293 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -15.290 -2.879 -0.839 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -15.213 -2.485 0.895 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -7.105 -1.419 -4.085 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -8.806 -1.787 -4.291 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -3.290 -2.517 3.006 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -3.486 -1.994 1.316 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -2.385 -1.110 2.399 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -12.007 -5.854 5.849 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -10.318 -6.170 5.386 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -10.769 -6.092 7.106 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -13.799 -2.702 -4.332 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -12.130 -2.182 -4.210 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -9.411 0.582 -4.114 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.728 1.067 -4.141 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -14.523 -1.260 -2.692 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -13.113 -0.360 -3.214 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.661 -0.049 0.497 1.00 10.00 H new HETATM 0 HHC HEC A 130 -8.273 -3.361 5.070 1.00 10.00 H new HETATM 0 HHB HEC A 130 -13.813 -2.697 2.233 1.00 10.00 H new HETATM 0 HHA HEC A 130 -10.875 -0.513 -2.855 1.00 10.00 H new HETATM 0 H2D HEC A 130 -8.579 -0.369 -7.623 1.00 10.00 H new HETATM 0 H2A HEC A 130 -13.762 -4.374 -1.521 1.00 10.00 H new HETATM 1050 FE HEC A 153 2.254 -2.182 3.377 1.00 10.00 FE HETATM 1051 CHA HEC A 153 4.050 -4.812 4.295 1.00 10.00 C HETATM 1052 CHB HEC A 153 2.864 -2.782 0.204 1.00 10.00 C HETATM 1053 CHC HEC A 153 -0.079 0.050 2.581 1.00 10.00 C HETATM 1054 CHD HEC A 153 2.199 -1.105 6.517 1.00 10.00 C HETATM 1055 NA HEC A 153 3.282 -3.490 2.446 1.00 10.00 N HETATM 1056 C1A HEC A 153 3.925 -4.529 2.997 1.00 10.00 C HETATM 1057 C2A HEC A 153 4.573 -5.308 1.969 1.00 10.00 C HETATM 1058 C3A HEC A 153 4.308 -4.670 0.790 1.00 10.00 C HETATM 1059 C4A HEC A 153 3.441 -3.561 1.125 1.00 10.00 C HETATM 1060 CMA HEC A 153 4.765 -5.117 -0.584 1.00 10.00 C HETATM 1061 CAA HEC A 153 5.530 -6.466 2.184 1.00 10.00 C HETATM 1062 CBA HEC A 153 6.876 -5.983 2.754 1.00 10.00 C HETATM 1063 CGA HEC A 153 7.851 -7.085 3.206 1.00 10.00 C HETATM 1064 O1A HEC A 153 9.040 -6.743 3.400 1.00 10.00 O HETATM 1065 O2A HEC A 153 7.391 -8.234 3.394 1.00 10.00 O HETATM 1066 NB HEC A 153 1.524 -1.525 1.750 1.00 10.00 N HETATM 1067 C1B HEC A 153 1.920 -1.886 0.536 1.00 10.00 C HETATM 1068 C2B HEC A 153 1.161 -1.175 -0.468 1.00 10.00 C HETATM 1069 C3B HEC A 153 0.243 -0.410 0.202 1.00 10.00 C HETATM 1070 C4B HEC A 153 0.542 -0.626 1.608 1.00 10.00 C HETATM 1071 CMB HEC A 153 1.358 -1.271 -1.965 1.00 10.00 C HETATM 1072 CAB HEC A 153 -0.784 0.554 -0.419 1.00 10.00 C HETATM 1073 CBB HEC A 153 -1.857 -0.105 -1.298 1.00 10.00 C HETATM 1074 NC HEC A 153 1.232 -0.838 4.355 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.294 -0.043 3.858 1.00 10.00 C HETATM 1076 C2C HEC A 153 -0.267 0.799 4.898 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.435 0.489 6.035 1.00 10.00 C HETATM 1078 C4C HEC A 153 1.371 -0.540 5.642 1.00 10.00 C HETATM 1079 CMC HEC A 153 -1.346 1.863 4.758 1.00 10.00 C HETATM 1080 CAC HEC A 153 0.302 1.073 7.441 1.00 10.00 C HETATM 1081 CBC HEC A 153 -0.988 1.818 7.812 1.00 10.00 C HETATM 1082 ND HEC A 153 2.989 -2.811 5.041 1.00 10.00 N HETATM 1083 C1D HEC A 153 2.876 -2.206 6.219 1.00 10.00 C HETATM 1084 C2D HEC A 153 3.552 -2.965 7.243 1.00 10.00 C HETATM 1085 C3D HEC A 153 4.031 -4.079 6.621 1.00 10.00 C HETATM 1086 C4D HEC A 153 3.675 -3.939 5.226 1.00 10.00 C HETATM 1087 CMD HEC A 153 3.613 -2.659 8.731 1.00 10.00 C HETATM 1088 CAD HEC A 153 4.707 -5.245 7.313 1.00 10.00 C HETATM 1089 CBD HEC A 153 3.664 -6.257 7.822 1.00 10.00 C HETATM 1090 CGD HEC A 153 4.038 -6.934 9.147 1.00 10.00 C HETATM 1091 O1D HEC A 153 4.062 -8.185 9.223 1.00 10.00 O HETATM 1092 O2D HEC A 153 4.189 -6.226 10.174 1.00 10.00 O HETATM 0 HMD3 HEC A 153 4.077 -1.685 8.883 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 2.603 -2.648 9.142 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 4.202 -3.424 9.236 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -1.011 2.632 4.062 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -2.261 1.406 4.380 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.541 2.314 5.731 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 2.371 -0.959 -2.219 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 1.204 -2.301 -2.287 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 0.641 -0.622 -2.469 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 5.854 -5.151 -0.612 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 4.365 -6.109 -0.796 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 4.405 -4.413 -1.334 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 2.709 -5.746 7.945 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 3.519 -7.025 7.063 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -1.120 2.671 7.146 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -1.839 1.144 7.712 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -0.922 2.169 8.842 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 -1.379 -0.623 -2.129 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 -2.426 -0.820 -0.703 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -2.530 0.660 -1.686 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 7.371 -5.375 1.997 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 6.675 -5.332 3.605 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 5.391 -5.737 6.622 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 5.305 -4.881 8.148 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 5.082 -7.188 2.867 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 5.698 -6.982 1.239 1.00 10.00 H new HETATM 0 HHD HEC A 153 2.324 -0.653 7.501 1.00 10.00 H new HETATM 0 HHC HEC A 153 -0.917 0.698 2.322 1.00 10.00 H new HETATM 0 HHB HEC A 153 3.166 -2.876 -0.839 1.00 10.00 H new HETATM 0 HHA HEC A 153 4.466 -5.773 4.597 1.00 10.00 H new HETATM 0 H2D HEC A 153 5.106 -6.321 10.505 1.00 10.00 H new HETATM 0 H2A HEC A 153 8.130 -8.872 3.480 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.769 2.363 -7.202 1.00 10.00 FE HETATM 1126 CHA HEC A 166 4.413 2.619 -9.517 1.00 10.00 C HETATM 1127 CHB HEC A 166 9.135 2.754 -9.435 1.00 10.00 C HETATM 1128 CHC HEC A 166 8.911 2.820 -4.736 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.546 1.110 -5.066 1.00 10.00 C HETATM 1130 NA HEC A 166 6.775 2.654 -9.065 1.00 10.00 N HETATM 1131 C1A HEC A 166 5.697 2.785 -9.849 1.00 10.00 C HETATM 1132 C2A HEC A 166 6.116 3.038 -11.210 1.00 10.00 C HETATM 1133 C3A HEC A 166 7.479 3.019 -11.200 1.00 10.00 C HETATM 1134 C4A HEC A 166 7.859 2.762 -9.831 1.00 10.00 C HETATM 1135 CMA HEC A 166 8.381 3.340 -12.378 1.00 10.00 C HETATM 1136 CAA HEC A 166 5.252 3.102 -12.453 1.00 10.00 C HETATM 1137 CBA HEC A 166 5.055 1.718 -13.087 1.00 10.00 C HETATM 1138 CGA HEC A 166 4.230 1.724 -14.387 1.00 10.00 C HETATM 1139 O1A HEC A 166 4.094 0.621 -14.969 1.00 10.00 O HETATM 1140 O2A HEC A 166 3.770 2.828 -14.778 1.00 10.00 O HETATM 1141 NB HEC A 166 8.632 2.699 -7.102 1.00 10.00 N HETATM 1142 C1B HEC A 166 9.451 2.787 -8.139 1.00 10.00 C HETATM 1143 C2B HEC A 166 10.798 3.064 -7.697 1.00 10.00 C HETATM 1144 C3B HEC A 166 10.732 3.161 -6.332 1.00 10.00 C HETATM 1145 C4B HEC A 166 9.346 2.900 -5.997 1.00 10.00 C HETATM 1146 CMB HEC A 166 12.002 3.308 -8.590 1.00 10.00 C HETATM 1147 CAB HEC A 166 11.885 3.442 -5.371 1.00 10.00 C HETATM 1148 CBB HEC A 166 12.354 4.901 -5.408 1.00 10.00 C HETATM 1149 NC HEC A 166 6.732 2.049 -5.306 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.715 2.310 -4.462 1.00 10.00 C HETATM 1151 C2C HEC A 166 7.372 1.889 -3.125 1.00 10.00 C HETATM 1152 C3C HEC A 166 6.156 1.272 -3.236 1.00 10.00 C HETATM 1153 C4C HEC A 166 5.752 1.462 -4.615 1.00 10.00 C HETATM 1154 CMC HEC A 166 8.277 1.930 -1.904 1.00 10.00 C HETATM 1155 CAC HEC A 166 5.441 0.461 -2.160 1.00 10.00 C HETATM 1156 CBC HEC A 166 4.829 1.288 -1.024 1.00 10.00 C HETATM 1157 ND HEC A 166 4.845 1.981 -7.272 1.00 10.00 N HETATM 1158 C1D HEC A 166 4.134 1.436 -6.290 1.00 10.00 C HETATM 1159 C2D HEC A 166 2.760 1.283 -6.703 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.697 1.667 -8.006 1.00 10.00 C HETATM 1161 C4D HEC A 166 4.030 2.164 -8.325 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.561 0.804 -5.905 1.00 10.00 C HETATM 1163 CAD HEC A 166 1.425 1.446 -8.830 1.00 10.00 C HETATM 1164 CBD HEC A 166 1.485 1.331 -10.365 1.00 10.00 C HETATM 1165 CGD HEC A 166 1.384 2.694 -11.079 1.00 10.00 C HETATM 1166 O1D HEC A 166 1.378 3.714 -10.358 1.00 10.00 O HETATM 1167 O2D HEC A 166 1.419 2.740 -12.329 1.00 10.00 O HETATM 0 HMD3 HEC A 166 1.742 -0.211 -5.551 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 1.405 1.464 -5.051 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 0.674 0.815 -6.539 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 9.159 1.315 -2.084 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 8.585 2.958 -1.714 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 7.737 1.546 -1.038 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 12.173 2.433 -9.217 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 11.816 4.177 -9.222 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 12.882 3.490 -7.973 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 8.174 2.648 -13.194 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 8.194 4.361 -12.712 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 9.424 3.242 -12.075 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 2.419 0.846 -10.651 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 0.674 0.688 -10.707 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 5.615 1.851 -0.520 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 4.093 1.980 -1.433 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 4.344 0.622 -0.310 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 12.694 5.149 -6.414 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 11.527 5.556 -5.133 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 13.175 5.037 -4.704 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 6.033 1.284 -13.294 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 4.565 1.067 -12.363 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 0.959 0.533 -8.459 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 0.747 2.267 -8.597 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 4.281 3.526 -12.198 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 5.711 3.772 -13.180 1.00 10.00 H new HETATM 0 HHD HEC A 166 3.881 0.541 -4.416 1.00 10.00 H new HETATM 0 HHC HEC A 166 9.544 3.177 -3.924 1.00 10.00 H new HETATM 0 HHB HEC A 166 9.929 2.720 -10.181 1.00 10.00 H new HETATM 0 HHA HEC A 166 3.647 2.866 -10.252 1.00 10.00 H new HETATM 0 H2D HEC A 166 0.509 2.668 -12.685 1.00 10.00 H new HETATM 0 H2A HEC A 166 3.282 2.700 -15.618 1.00 10.00 H new