USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=18 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+ 141:sc= 2.3 (180deg=1.02) USER MOD Set 1.2: A 166 HEC O2D : rot 78:sc= 0.528 USER MOD Set 2.1: A 6 TYR OH : rot -130:sc= 1.13 USER MOD Set 2.2: A 130 HEC O2D : rot -51:sc= 1.23 USER MOD Set 3.1: A 1 ALA N :NH3+ -160:sc= 1.01 (180deg=-1.12) USER MOD Set 3.2: A 130 HEC O2A : rot -100:sc= 0.644 USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0.799 USER MOD Set 4.2: A 14 THR OG1 : rot -24:sc= 0.753 USER MOD Single : A 8 ASN : amide:sc= 0.639 K(o=0.64,f=-6.4!) USER MOD Single : A 12 ASN : amide:sc= -0.0215 X(o=-0.021,f=-0.18) USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0.979 (180deg=0.656) USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= 1.14 (180deg=0.352) 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 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 82:sc= 0.821 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -45:sc= 0.138 USER MOD Single : A 56 ASN : amide:sc= -1.82! C(o=-1.8!,f=-1.7!) USER MOD Single : A 57 ASN : amide:sc= -0.448 K(o=-0.45,f=-3.9!) USER MOD Single : A 60 THR OG1 : rot -44:sc= 1.24 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 153 HEC O2A : rot 179:sc= 0 USER MOD Single : A 153 HEC O2D : rot -140:sc= -0.0085 USER MOD Single : A 166 HEC O2A : rot 178:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.432 -6.769 -1.416 1.00 10.00 N ATOM 2 CA ALA A 1 -10.857 -8.008 -1.982 1.00 10.00 C ATOM 3 C ALA A 1 -9.874 -8.635 -0.978 1.00 10.00 C ATOM 4 O ALA A 1 -9.903 -8.224 0.181 1.00 10.00 O ATOM 5 CB ALA A 1 -10.213 -7.714 -3.343 1.00 10.00 C ATOM 0 H1 ALA A 1 -12.314 -6.536 -1.915 1.00 10.00 H new ATOM 0 H2 ALA A 1 -11.633 -6.910 -0.405 1.00 10.00 H new ATOM 0 H3 ALA A 1 -10.754 -5.989 -1.528 1.00 10.00 H new ATOM 0 HA ALA A 1 -11.645 -8.740 -2.156 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -9.792 -8.632 -3.752 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -10.968 -7.325 -4.026 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -9.421 -6.976 -3.219 1.00 10.00 H new ATOM 13 N ASP A 2 -9.036 -9.592 -1.404 1.00 10.00 N ATOM 14 CA ASP A 2 -8.144 -10.361 -0.533 1.00 10.00 C ATOM 15 C ASP A 2 -6.660 -10.027 -0.766 1.00 10.00 C ATOM 16 O ASP A 2 -6.030 -9.382 0.068 1.00 10.00 O ATOM 17 CB ASP A 2 -8.449 -11.858 -0.726 1.00 10.00 C ATOM 18 CG ASP A 2 -9.666 -12.336 0.051 1.00 10.00 C ATOM 19 OD1 ASP A 2 -10.638 -11.564 0.217 1.00 10.00 O ATOM 20 OD2 ASP A 2 -9.603 -13.449 0.617 1.00 10.00 O ATOM 0 H ASP A 2 -8.960 -9.856 -2.386 1.00 10.00 H new ATOM 0 HA ASP A 2 -8.331 -10.087 0.505 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -8.605 -12.055 -1.787 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -7.580 -12.440 -0.418 1.00 10.00 H new ATOM 25 N VAL A 3 -6.097 -10.462 -1.893 1.00 10.00 N ATOM 26 CA VAL A 3 -4.765 -10.066 -2.346 1.00 10.00 C ATOM 27 C VAL A 3 -4.883 -9.622 -3.806 1.00 10.00 C ATOM 28 O VAL A 3 -5.344 -10.394 -4.644 1.00 10.00 O ATOM 29 CB VAL A 3 -3.755 -11.214 -2.159 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.355 -10.763 -2.598 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.673 -11.650 -0.689 1.00 10.00 C ATOM 0 H VAL A 3 -6.563 -11.111 -2.528 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.385 -9.237 -1.749 1.00 10.00 H new ATOM 0 HB VAL A 3 -4.098 -12.050 -2.768 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.649 -11.582 -2.461 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.378 -10.476 -3.649 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -2.042 -9.910 -1.996 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -2.952 -12.461 -0.590 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.356 -10.806 -0.076 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.653 -11.992 -0.356 1.00 10.00 H new ATOM 41 N VAL A 4 -4.532 -8.367 -4.096 1.00 10.00 N ATOM 42 CA VAL A 4 -4.641 -7.769 -5.435 1.00 10.00 C ATOM 43 C VAL A 4 -3.241 -7.370 -5.923 1.00 10.00 C ATOM 44 O VAL A 4 -2.376 -7.089 -5.106 1.00 10.00 O ATOM 45 CB VAL A 4 -5.627 -6.584 -5.393 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.838 -5.971 -6.784 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.987 -7.024 -4.833 1.00 10.00 C ATOM 0 H VAL A 4 -4.158 -7.725 -3.398 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.041 -8.487 -6.151 1.00 10.00 H new ATOM 0 HB VAL A 4 -5.186 -5.831 -4.740 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.539 -5.139 -6.713 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.885 -5.610 -7.171 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.240 -6.728 -7.458 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.665 -6.171 -4.813 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.406 -7.806 -5.467 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.857 -7.408 -3.821 1.00 10.00 H new ATOM 57 N THR A 5 -2.984 -7.366 -7.233 1.00 10.00 N ATOM 58 CA THR A 5 -1.621 -7.326 -7.779 1.00 10.00 C ATOM 59 C THR A 5 -1.555 -6.428 -9.024 1.00 10.00 C ATOM 60 O THR A 5 -2.383 -6.564 -9.914 1.00 10.00 O ATOM 61 CB THR A 5 -1.180 -8.785 -8.008 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.740 -9.335 -6.782 1.00 10.00 O ATOM 63 CG2 THR A 5 -0.046 -8.973 -9.004 1.00 10.00 C ATOM 0 H THR A 5 -3.713 -7.390 -7.946 1.00 10.00 H new ATOM 0 HA THR A 5 -0.915 -6.867 -7.087 1.00 10.00 H new ATOM 0 HB THR A 5 -2.059 -9.280 -8.420 1.00 10.00 H new ATOM 0 HG1 THR A 5 -0.460 -10.264 -6.922 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.188 -10.034 -9.093 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.348 -8.585 -9.977 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.836 -8.435 -8.657 1.00 10.00 H new ATOM 71 N TYR A 6 -0.631 -5.450 -9.024 1.00 10.00 N ATOM 72 CA TYR A 6 -0.509 -4.385 -10.042 1.00 10.00 C ATOM 73 C TYR A 6 0.704 -4.591 -10.964 1.00 10.00 C ATOM 74 O TYR A 6 1.778 -4.035 -10.717 1.00 10.00 O ATOM 75 CB TYR A 6 -0.398 -3.014 -9.344 1.00 10.00 C ATOM 76 CG TYR A 6 -1.712 -2.353 -8.961 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.805 -3.104 -8.481 1.00 10.00 C ATOM 78 CD2 TYR A 6 -1.788 -0.949 -8.966 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.927 -2.449 -7.937 1.00 10.00 C ATOM 80 CE2 TYR A 6 -2.912 -0.300 -8.434 1.00 10.00 C ATOM 81 CZ TYR A 6 -3.970 -1.046 -7.898 1.00 10.00 C ATOM 82 OH TYR A 6 -5.031 -0.389 -7.360 1.00 10.00 O ATOM 0 H TYR A 6 0.076 -5.375 -8.292 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.403 -4.425 -10.664 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.201 -3.135 -8.442 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.148 -2.337 -10.001 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.782 -4.183 -8.531 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -0.978 -0.368 -9.381 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.754 -3.026 -7.550 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -2.962 0.779 -8.438 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.342 0.297 -7.986 1.00 10.00 H new ATOM 92 N GLU A 7 0.547 -5.361 -12.038 1.00 10.00 N ATOM 93 CA GLU A 7 1.641 -5.762 -12.918 1.00 10.00 C ATOM 94 C GLU A 7 1.997 -4.651 -13.916 1.00 10.00 C ATOM 95 O GLU A 7 1.621 -4.685 -15.085 1.00 10.00 O ATOM 96 CB GLU A 7 1.293 -7.107 -13.577 1.00 10.00 C ATOM 97 CG GLU A 7 0.659 -8.080 -12.559 1.00 10.00 C ATOM 98 CD GLU A 7 -0.861 -8.127 -12.664 1.00 10.00 C ATOM 99 OE1 GLU A 7 -1.440 -7.025 -12.771 1.00 10.00 O ATOM 100 OE2 GLU A 7 -1.396 -9.254 -12.609 1.00 10.00 O ATOM 0 H GLU A 7 -0.359 -5.730 -12.326 1.00 10.00 H new ATOM 0 HA GLU A 7 2.550 -5.913 -12.336 1.00 10.00 H new ATOM 0 HB2 GLU A 7 0.603 -6.942 -14.405 1.00 10.00 H new ATOM 0 HB3 GLU A 7 2.194 -7.553 -13.998 1.00 10.00 H new ATOM 0 HG2 GLU A 7 1.062 -9.080 -12.718 1.00 10.00 H new ATOM 0 HG3 GLU A 7 0.941 -7.779 -11.550 1.00 10.00 H new ATOM 107 N ASN A 8 2.731 -3.649 -13.424 1.00 10.00 N ATOM 108 CA ASN A 8 3.030 -2.415 -14.147 1.00 10.00 C ATOM 109 C ASN A 8 4.154 -2.611 -15.183 1.00 10.00 C ATOM 110 O ASN A 8 3.899 -2.677 -16.382 1.00 10.00 O ATOM 111 CB ASN A 8 3.293 -1.279 -13.134 1.00 10.00 C ATOM 112 CG ASN A 8 4.319 -1.647 -12.063 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.521 -1.473 -12.246 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.895 -2.270 -10.974 1.00 10.00 N ATOM 0 H ASN A 8 3.142 -3.676 -12.491 1.00 10.00 H new ATOM 0 HA ASN A 8 2.165 -2.121 -14.742 1.00 10.00 H new ATOM 0 HB2 ASN A 8 3.640 -0.396 -13.671 1.00 10.00 H new ATOM 0 HB3 ASN A 8 2.354 -1.009 -12.650 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.567 -2.607 -10.285 1.00 10.00 H new ATOM 0 HD22 ASN A 8 2.896 -2.413 -10.825 1.00 10.00 H new ATOM 121 N ALA A 9 5.398 -2.714 -14.711 1.00 10.00 N ATOM 122 CA ALA A 9 6.614 -2.739 -15.515 1.00 10.00 C ATOM 123 C ALA A 9 7.835 -3.017 -14.629 1.00 10.00 C ATOM 124 O ALA A 9 8.662 -3.867 -14.946 1.00 10.00 O ATOM 125 CB ALA A 9 6.781 -1.389 -16.217 1.00 10.00 C ATOM 0 H ALA A 9 5.590 -2.785 -13.712 1.00 10.00 H new ATOM 0 HA ALA A 9 6.535 -3.534 -16.257 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.689 -1.402 -16.820 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.921 -1.205 -16.861 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.852 -0.597 -15.471 1.00 10.00 H new ATOM 131 N ALA A 10 7.944 -2.314 -13.494 1.00 10.00 N ATOM 132 CA ALA A 10 9.105 -2.377 -12.607 1.00 10.00 C ATOM 133 C ALA A 10 9.000 -3.475 -11.531 1.00 10.00 C ATOM 134 O ALA A 10 9.739 -3.426 -10.549 1.00 10.00 O ATOM 135 CB ALA A 10 9.296 -0.991 -11.972 1.00 10.00 C ATOM 0 H ALA A 10 7.217 -1.678 -13.165 1.00 10.00 H new ATOM 0 HA ALA A 10 9.975 -2.651 -13.203 1.00 10.00 H new ATOM 0 HB1 ALA A 10 10.158 -1.012 -11.305 1.00 10.00 H new ATOM 0 HB2 ALA A 10 9.462 -0.252 -12.755 1.00 10.00 H new ATOM 0 HB3 ALA A 10 8.404 -0.725 -11.405 1.00 10.00 H new ATOM 141 N GLY A 11 8.084 -4.439 -11.696 1.00 10.00 N ATOM 142 CA GLY A 11 7.701 -5.406 -10.665 1.00 10.00 C ATOM 143 C GLY A 11 6.238 -5.192 -10.283 1.00 10.00 C ATOM 144 O GLY A 11 5.800 -4.052 -10.153 1.00 10.00 O ATOM 0 H GLY A 11 7.578 -4.569 -12.572 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.847 -6.422 -11.032 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.338 -5.290 -9.788 1.00 10.00 H new ATOM 148 N ASN A 12 5.465 -6.259 -10.075 1.00 10.00 N ATOM 149 CA ASN A 12 4.172 -6.089 -9.417 1.00 10.00 C ATOM 150 C ASN A 12 4.376 -5.883 -7.911 1.00 10.00 C ATOM 151 O ASN A 12 5.351 -6.380 -7.354 1.00 10.00 O ATOM 152 CB ASN A 12 3.214 -7.226 -9.762 1.00 10.00 C ATOM 153 CG ASN A 12 3.617 -8.560 -9.157 1.00 10.00 C ATOM 154 OD1 ASN A 12 3.385 -8.816 -7.985 1.00 10.00 O ATOM 155 ND2 ASN A 12 4.208 -9.435 -9.958 1.00 10.00 N ATOM 0 H ASN A 12 5.700 -7.215 -10.341 1.00 10.00 H new ATOM 0 HA ASN A 12 3.688 -5.188 -9.795 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.214 -6.966 -9.416 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.159 -7.329 -10.846 1.00 10.00 H new ATOM 0 HD21 ASN A 12 4.482 -10.350 -9.600 1.00 10.00 H new ATOM 0 HD22 ASN A 12 4.389 -9.193 -10.932 1.00 10.00 H new ATOM 162 N VAL A 13 3.510 -5.088 -7.276 1.00 10.00 N ATOM 163 CA VAL A 13 3.679 -4.675 -5.878 1.00 10.00 C ATOM 164 C VAL A 13 2.975 -5.590 -4.866 1.00 10.00 C ATOM 165 O VAL A 13 3.473 -5.786 -3.764 1.00 10.00 O ATOM 166 CB VAL A 13 3.314 -3.190 -5.698 1.00 10.00 C ATOM 167 CG1 VAL A 13 1.997 -2.836 -6.384 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.235 -2.798 -4.216 1.00 10.00 C ATOM 0 H VAL A 13 2.671 -4.712 -7.717 1.00 10.00 H new ATOM 0 HA VAL A 13 4.738 -4.789 -5.647 1.00 10.00 H new ATOM 0 HB VAL A 13 4.117 -2.624 -6.171 1.00 10.00 H new ATOM 0 HG11 VAL A 13 1.780 -1.779 -6.231 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.077 -3.039 -7.452 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.193 -3.437 -5.960 1.00 10.00 H new ATOM 0 HG21 VAL A 13 2.975 -1.743 -4.132 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.473 -3.400 -3.721 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.201 -2.973 -3.741 1.00 10.00 H new ATOM 178 N THR A 14 1.802 -6.117 -5.225 1.00 10.00 N ATOM 179 CA THR A 14 0.940 -6.891 -4.332 1.00 10.00 C ATOM 180 C THR A 14 0.348 -6.055 -3.179 1.00 10.00 C ATOM 181 O THR A 14 0.979 -5.748 -2.171 1.00 10.00 O ATOM 182 CB THR A 14 1.575 -8.237 -3.933 1.00 10.00 C ATOM 183 OG1 THR A 14 1.303 -9.162 -4.969 1.00 10.00 O ATOM 184 CG2 THR A 14 0.998 -8.830 -2.648 1.00 10.00 C ATOM 0 H THR A 14 1.418 -6.015 -6.164 1.00 10.00 H new ATOM 0 HA THR A 14 0.054 -7.175 -4.900 1.00 10.00 H new ATOM 0 HB THR A 14 2.637 -8.055 -3.770 1.00 10.00 H new ATOM 0 HG1 THR A 14 0.506 -8.876 -5.462 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.493 -9.776 -2.430 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.160 -8.137 -1.823 1.00 10.00 H new ATOM 0 HG23 THR A 14 -0.071 -9.000 -2.774 1.00 10.00 H new ATOM 192 N PHE A 15 -0.919 -5.686 -3.359 1.00 10.00 N ATOM 193 CA PHE A 15 -1.826 -5.137 -2.361 1.00 10.00 C ATOM 194 C PHE A 15 -2.415 -6.260 -1.501 1.00 10.00 C ATOM 195 O PHE A 15 -3.408 -6.891 -1.878 1.00 10.00 O ATOM 196 CB PHE A 15 -2.958 -4.391 -3.073 1.00 10.00 C ATOM 197 CG PHE A 15 -2.511 -3.153 -3.810 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.808 -3.274 -5.021 1.00 10.00 C ATOM 199 CD2 PHE A 15 -2.773 -1.882 -3.272 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.285 -2.131 -5.638 1.00 10.00 C ATOM 201 CE2 PHE A 15 -2.329 -0.735 -3.945 1.00 10.00 C ATOM 202 CZ PHE A 15 -1.564 -0.862 -5.117 1.00 10.00 C ATOM 0 H PHE A 15 -1.367 -5.770 -4.271 1.00 10.00 H new ATOM 0 HA PHE A 15 -1.276 -4.453 -1.714 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.437 -5.069 -3.780 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.713 -4.111 -2.338 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -1.672 -4.245 -5.474 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -3.315 -1.789 -2.343 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.665 -2.229 -6.517 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -2.575 0.245 -3.563 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.191 0.020 -5.616 1.00 10.00 H new ATOM 212 N ASP A 16 -1.835 -6.472 -0.322 1.00 10.00 N ATOM 213 CA ASP A 16 -2.258 -7.491 0.622 1.00 10.00 C ATOM 214 C ASP A 16 -3.492 -7.009 1.393 1.00 10.00 C ATOM 215 O ASP A 16 -3.435 -6.719 2.588 1.00 10.00 O ATOM 216 CB ASP A 16 -1.055 -7.771 1.526 1.00 10.00 C ATOM 217 CG ASP A 16 0.047 -8.510 0.795 1.00 10.00 C ATOM 218 OD1 ASP A 16 -0.254 -9.613 0.291 1.00 10.00 O ATOM 219 OD2 ASP A 16 1.163 -7.950 0.758 1.00 10.00 O ATOM 0 H ASP A 16 -1.040 -5.925 0.007 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.560 -8.416 0.130 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -0.665 -6.829 1.912 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -1.377 -8.359 2.386 1.00 10.00 H new ATOM 224 N HIS A 17 -4.622 -6.908 0.689 1.00 10.00 N ATOM 225 CA HIS A 17 -5.852 -6.324 1.204 1.00 10.00 C ATOM 226 C HIS A 17 -6.248 -6.932 2.555 1.00 10.00 C ATOM 227 O HIS A 17 -6.547 -6.214 3.506 1.00 10.00 O ATOM 228 CB HIS A 17 -6.971 -6.503 0.169 1.00 10.00 C ATOM 229 CG HIS A 17 -7.836 -5.286 0.015 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.209 -4.733 -1.180 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.178 -4.402 1.003 1.00 10.00 C ATOM 232 CE1 HIS A 17 -8.739 -3.536 -0.909 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.740 -3.264 0.411 1.00 10.00 N ATOM 0 H HIS A 17 -4.704 -7.238 -0.273 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.686 -5.260 1.375 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.528 -6.750 -0.796 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.594 -7.349 0.460 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -8.103 -5.154 -2.103 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -8.038 -4.557 2.063 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -9.123 -2.864 -1.662 1.00 10.00 H new ATOM 241 N LYS A 18 -6.210 -8.264 2.619 1.00 10.00 N ATOM 242 CA LYS A 18 -6.385 -9.041 3.838 1.00 10.00 C ATOM 243 C LYS A 18 -5.080 -9.098 4.638 1.00 10.00 C ATOM 244 O LYS A 18 -5.018 -8.556 5.733 1.00 10.00 O ATOM 245 CB LYS A 18 -6.918 -10.442 3.490 1.00 10.00 C ATOM 246 CG LYS A 18 -8.276 -10.753 4.147 1.00 10.00 C ATOM 247 CD LYS A 18 -9.057 -11.620 3.159 1.00 10.00 C ATOM 248 CE LYS A 18 -10.424 -12.100 3.650 1.00 10.00 C ATOM 249 NZ LYS A 18 -11.160 -12.699 2.515 1.00 10.00 N ATOM 0 H LYS A 18 -6.051 -8.846 1.796 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.122 -8.553 4.475 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -7.017 -10.528 2.408 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -6.190 -11.190 3.804 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -8.137 -11.275 5.093 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -8.818 -9.834 4.367 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -9.198 -11.055 2.238 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -8.452 -12.492 2.909 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -10.302 -12.832 4.448 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -10.989 -11.266 4.067 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -12.047 -13.119 2.859 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -11.375 -11.962 1.813 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -10.576 -13.438 2.074 1.00 10.00 H new ATOM 263 N ALA A 19 -4.026 -9.733 4.115 1.00 10.00 N ATOM 264 CA ALA A 19 -2.829 -10.048 4.898 1.00 10.00 C ATOM 265 C ALA A 19 -2.185 -8.825 5.575 1.00 10.00 C ATOM 266 O ALA A 19 -1.659 -8.950 6.679 1.00 10.00 O ATOM 267 CB ALA A 19 -1.847 -10.869 4.058 1.00 10.00 C ATOM 0 H ALA A 19 -3.979 -10.041 3.144 1.00 10.00 H new ATOM 0 HA ALA A 19 -3.146 -10.666 5.738 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.962 -11.096 4.652 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -2.323 -11.799 3.746 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.556 -10.297 3.177 1.00 10.00 H new ATOM 273 N HIS A 20 -2.271 -7.630 4.975 1.00 10.00 N ATOM 274 CA HIS A 20 -1.876 -6.403 5.662 1.00 10.00 C ATOM 275 C HIS A 20 -2.900 -6.029 6.756 1.00 10.00 C ATOM 276 O HIS A 20 -2.525 -5.766 7.900 1.00 10.00 O ATOM 277 CB HIS A 20 -1.611 -5.265 4.650 1.00 10.00 C ATOM 278 CG HIS A 20 -0.462 -4.347 5.007 1.00 10.00 C ATOM 279 ND1 HIS A 20 0.302 -4.434 6.145 1.00 10.00 N ATOM 280 CD2 HIS A 20 0.137 -3.418 4.186 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.332 -3.589 6.005 1.00 10.00 C ATOM 282 NE2 HIS A 20 1.280 -2.923 4.834 1.00 10.00 N ATOM 0 H HIS A 20 -2.609 -7.492 4.022 1.00 10.00 H new ATOM 0 HA HIS A 20 -0.932 -6.574 6.178 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -1.414 -5.706 3.673 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.517 -4.667 4.553 1.00 10.00 H new ATOM 0 HD1 HIS A 20 0.119 -5.033 6.950 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.213 -3.120 3.209 1.00 10.00 H new ATOM 0 HE1 HIS A 20 2.111 -3.457 6.742 1.00 10.00 H new ATOM 290 N ALA A 21 -4.199 -6.055 6.429 1.00 10.00 N ATOM 291 CA ALA A 21 -5.305 -5.844 7.371 1.00 10.00 C ATOM 292 C ALA A 21 -5.276 -6.762 8.595 1.00 10.00 C ATOM 293 O ALA A 21 -5.660 -6.326 9.676 1.00 10.00 O ATOM 294 CB ALA A 21 -6.652 -6.011 6.677 1.00 10.00 C ATOM 0 H ALA A 21 -4.518 -6.228 5.476 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.172 -4.822 7.727 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.455 -5.850 7.397 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -6.738 -5.284 5.869 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -6.728 -7.019 6.268 1.00 10.00 H new ATOM 300 N GLU A 22 -4.820 -8.007 8.452 1.00 10.00 N ATOM 301 CA GLU A 22 -4.648 -8.918 9.580 1.00 10.00 C ATOM 302 C GLU A 22 -3.872 -8.260 10.743 1.00 10.00 C ATOM 303 O GLU A 22 -4.123 -8.565 11.906 1.00 10.00 O ATOM 304 CB GLU A 22 -3.977 -10.214 9.104 1.00 10.00 C ATOM 305 CG GLU A 22 -4.784 -11.022 8.067 1.00 10.00 C ATOM 306 CD GLU A 22 -6.192 -11.409 8.500 1.00 10.00 C ATOM 307 OE1 GLU A 22 -6.326 -11.882 9.649 1.00 10.00 O ATOM 308 OE2 GLU A 22 -7.103 -11.250 7.657 1.00 10.00 O ATOM 0 H GLU A 22 -4.560 -8.410 7.552 1.00 10.00 H new ATOM 0 HA GLU A 22 -5.633 -9.164 9.976 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.006 -9.966 8.674 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -3.790 -10.848 9.971 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.851 -10.439 7.148 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.232 -11.931 7.829 1.00 10.00 H new ATOM 315 N LYS A 23 -2.966 -7.317 10.440 1.00 10.00 N ATOM 316 CA LYS A 23 -2.402 -6.389 11.411 1.00 10.00 C ATOM 317 C LYS A 23 -3.157 -5.047 11.433 1.00 10.00 C ATOM 318 O LYS A 23 -3.538 -4.553 12.490 1.00 10.00 O ATOM 319 CB LYS A 23 -0.934 -6.158 11.048 1.00 10.00 C ATOM 320 CG LYS A 23 -0.096 -7.430 11.192 1.00 10.00 C ATOM 321 CD LYS A 23 1.389 -7.056 11.120 1.00 10.00 C ATOM 322 CE LYS A 23 2.269 -8.309 11.170 1.00 10.00 C ATOM 323 NZ LYS A 23 3.692 -7.931 11.266 1.00 10.00 N ATOM 0 H LYS A 23 -2.604 -7.182 9.496 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.494 -6.821 12.408 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.868 -5.796 10.022 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.521 -5.379 11.689 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.316 -7.921 12.140 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.345 -8.138 10.401 1.00 10.00 H new ATOM 0 HD2 LYS A 23 1.586 -6.505 10.200 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.643 -6.395 11.949 1.00 10.00 H new ATOM 0 HE2 LYS A 23 1.990 -8.924 12.026 1.00 10.00 H new ATOM 0 HE3 LYS A 23 2.105 -8.913 10.277 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 4.285 -8.736 10.980 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 3.880 -7.123 10.639 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 3.916 -7.667 12.247 1.00 10.00 H new ATOM 337 N LEU A 24 -3.315 -4.424 10.261 1.00 10.00 N ATOM 338 CA LEU A 24 -3.709 -3.024 10.114 1.00 10.00 C ATOM 339 C LEU A 24 -5.197 -2.710 10.393 1.00 10.00 C ATOM 340 O LEU A 24 -5.552 -1.550 10.585 1.00 10.00 O ATOM 341 CB LEU A 24 -3.302 -2.561 8.707 1.00 10.00 C ATOM 342 CG LEU A 24 -1.797 -2.474 8.410 1.00 10.00 C ATOM 343 CD1 LEU A 24 -1.642 -1.843 7.020 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.033 -1.611 9.421 1.00 10.00 C ATOM 0 H LEU A 24 -3.168 -4.893 9.367 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.185 -2.469 10.892 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -3.751 -3.241 7.983 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -3.739 -1.577 8.534 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.380 -3.480 8.468 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.583 -1.764 6.772 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.142 -2.467 6.279 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.090 -0.849 7.020 1.00 10.00 H new ATOM 0 HD21 LEU A 24 0.024 -1.590 9.156 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.431 -0.596 9.407 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.148 -2.033 10.420 1.00 10.00 H new ATOM 356 N GLY A 25 -6.090 -3.702 10.400 1.00 10.00 N ATOM 357 CA GLY A 25 -7.494 -3.541 10.790 1.00 10.00 C ATOM 358 C GLY A 25 -8.291 -2.504 9.983 1.00 10.00 C ATOM 359 O GLY A 25 -9.068 -1.743 10.551 1.00 10.00 O ATOM 0 H GLY A 25 -5.854 -4.657 10.130 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -7.991 -4.507 10.699 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -7.531 -3.262 11.843 1.00 10.00 H new ATOM 363 N CYS A 26 -8.109 -2.498 8.659 1.00 10.00 N ATOM 364 CA CYS A 26 -8.816 -1.692 7.655 1.00 10.00 C ATOM 365 C CYS A 26 -8.594 -0.177 7.787 1.00 10.00 C ATOM 366 O CYS A 26 -8.086 0.444 6.856 1.00 10.00 O ATOM 367 CB CYS A 26 -10.292 -2.004 7.599 1.00 10.00 C ATOM 368 SG CYS A 26 -10.729 -3.772 7.547 1.00 10.00 S ATOM 0 H CYS A 26 -7.410 -3.102 8.227 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.362 -1.989 6.710 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -10.772 -1.556 8.469 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -10.713 -1.519 6.718 1.00 10.00 H new ATOM 373 N ASP A 27 -8.985 0.430 8.910 1.00 10.00 N ATOM 374 CA ASP A 27 -8.998 1.879 9.110 1.00 10.00 C ATOM 375 C ASP A 27 -7.594 2.514 9.148 1.00 10.00 C ATOM 376 O ASP A 27 -7.420 3.719 9.000 1.00 10.00 O ATOM 377 CB ASP A 27 -9.851 2.199 10.342 1.00 10.00 C ATOM 378 CG ASP A 27 -11.319 1.913 10.078 1.00 10.00 C ATOM 379 OD1 ASP A 27 -11.844 2.503 9.107 1.00 10.00 O ATOM 380 OD2 ASP A 27 -11.892 1.115 10.848 1.00 10.00 O ATOM 0 H ASP A 27 -9.310 -0.088 9.727 1.00 10.00 H new ATOM 0 HA ASP A 27 -9.456 2.345 8.238 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -9.508 1.606 11.190 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.724 3.247 10.614 1.00 10.00 H new ATOM 385 N ALA A 28 -6.553 1.693 9.227 1.00 10.00 N ATOM 386 CA ALA A 28 -5.201 2.095 8.859 1.00 10.00 C ATOM 387 C ALA A 28 -5.092 2.660 7.425 1.00 10.00 C ATOM 388 O ALA A 28 -4.209 3.470 7.151 1.00 10.00 O ATOM 389 CB ALA A 28 -4.357 0.843 8.985 1.00 10.00 C ATOM 0 H ALA A 28 -6.623 0.728 9.549 1.00 10.00 H new ATOM 0 HA ALA A 28 -4.871 2.905 9.510 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.324 1.072 8.722 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -4.398 0.478 10.011 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -4.741 0.076 8.312 1.00 10.00 H new ATOM 395 N CYS A 29 -5.959 2.208 6.509 1.00 10.00 N ATOM 396 CA CYS A 29 -5.990 2.600 5.096 1.00 10.00 C ATOM 397 C CYS A 29 -7.332 3.252 4.699 1.00 10.00 C ATOM 398 O CYS A 29 -7.563 3.555 3.528 1.00 10.00 O ATOM 399 CB CYS A 29 -5.798 1.364 4.256 1.00 10.00 C ATOM 400 SG CYS A 29 -4.150 0.576 4.382 1.00 10.00 S ATOM 0 H CYS A 29 -6.686 1.532 6.743 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.198 3.331 4.933 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.554 0.632 4.539 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -5.979 1.623 3.213 1.00 10.00 H new ATOM 405 N HIS A 30 -8.250 3.423 5.650 1.00 10.00 N ATOM 406 CA HIS A 30 -9.651 3.733 5.405 1.00 10.00 C ATOM 407 C HIS A 30 -10.217 4.539 6.584 1.00 10.00 C ATOM 408 O HIS A 30 -9.531 4.707 7.584 1.00 10.00 O ATOM 409 CB HIS A 30 -10.383 2.396 5.162 1.00 10.00 C ATOM 410 CG HIS A 30 -10.091 1.712 3.850 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.030 2.313 2.623 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.927 0.374 3.645 1.00 10.00 C ATOM 413 CE1 HIS A 30 -9.811 1.353 1.700 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.735 0.139 2.269 1.00 10.00 N ATOM 0 H HIS A 30 -8.028 3.346 6.643 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.787 4.361 4.524 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.126 1.712 5.971 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.456 2.575 5.225 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -10.132 3.311 2.438 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.942 -0.384 4.414 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -9.710 1.537 0.641 1.00 10.00 H new ATOM 422 N GLU A 31 -11.438 5.070 6.453 1.00 10.00 N ATOM 423 CA GLU A 31 -12.031 5.890 7.506 1.00 10.00 C ATOM 424 C GLU A 31 -13.482 5.483 7.803 1.00 10.00 C ATOM 425 O GLU A 31 -14.425 6.166 7.400 1.00 10.00 O ATOM 426 CB GLU A 31 -11.904 7.380 7.151 1.00 10.00 C ATOM 427 CG GLU A 31 -10.440 7.851 7.116 1.00 10.00 C ATOM 428 CD GLU A 31 -10.330 9.360 6.947 1.00 10.00 C ATOM 429 OE1 GLU A 31 -10.463 10.057 7.975 1.00 10.00 O ATOM 430 OE2 GLU A 31 -10.128 9.786 5.789 1.00 10.00 O ATOM 0 H GLU A 31 -12.029 4.945 5.631 1.00 10.00 H new ATOM 0 HA GLU A 31 -11.477 5.716 8.428 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -12.364 7.560 6.179 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -12.456 7.973 7.880 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.941 7.552 8.038 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -9.919 7.356 6.297 1.00 10.00 H new ATOM 437 N GLY A 32 -13.682 4.356 8.493 1.00 10.00 N ATOM 438 CA GLY A 32 -14.997 3.837 8.860 1.00 10.00 C ATOM 439 C GLY A 32 -15.716 3.209 7.662 1.00 10.00 C ATOM 440 O GLY A 32 -16.019 2.019 7.659 1.00 10.00 O ATOM 0 H GLY A 32 -12.914 3.768 8.818 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.887 3.093 9.649 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.606 4.644 9.267 1.00 10.00 H new ATOM 444 N THR A 33 -15.965 4.016 6.628 1.00 10.00 N ATOM 445 CA THR A 33 -16.463 3.570 5.330 1.00 10.00 C ATOM 446 C THR A 33 -15.278 3.323 4.386 1.00 10.00 C ATOM 447 O THR A 33 -14.689 4.286 3.894 1.00 10.00 O ATOM 448 CB THR A 33 -17.413 4.622 4.740 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.527 4.753 5.596 1.00 10.00 O ATOM 450 CG2 THR A 33 -17.951 4.200 3.368 1.00 10.00 C ATOM 0 H THR A 33 -15.821 5.025 6.674 1.00 10.00 H new ATOM 0 HA THR A 33 -17.017 2.640 5.454 1.00 10.00 H new ATOM 0 HB THR A 33 -16.854 5.552 4.637 1.00 10.00 H new ATOM 0 HG1 THR A 33 -19.142 5.424 5.232 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.619 4.972 2.986 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.119 4.065 2.677 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.498 3.262 3.464 1.00 10.00 H new ATOM 458 N PRO A 34 -14.899 2.065 4.112 1.00 10.00 N ATOM 459 CA PRO A 34 -13.851 1.766 3.148 1.00 10.00 C ATOM 460 C PRO A 34 -14.358 1.982 1.718 1.00 10.00 C ATOM 461 O PRO A 34 -15.561 1.926 1.463 1.00 10.00 O ATOM 462 CB PRO A 34 -13.510 0.300 3.397 1.00 10.00 C ATOM 463 CG PRO A 34 -14.866 -0.282 3.794 1.00 10.00 C ATOM 464 CD PRO A 34 -15.468 0.835 4.642 1.00 10.00 C ATOM 0 HA PRO A 34 -12.981 2.412 3.261 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.105 -0.181 2.507 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -12.769 0.183 4.188 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.482 -0.507 2.923 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -14.761 -1.208 4.358 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.556 0.841 4.570 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.219 0.708 5.695 1.00 10.00 H new ATOM 472 N ALA A 35 -13.444 2.218 0.773 1.00 10.00 N ATOM 473 CA ALA A 35 -13.793 2.479 -0.620 1.00 10.00 C ATOM 474 C ALA A 35 -12.584 2.311 -1.550 1.00 10.00 C ATOM 475 O ALA A 35 -11.452 2.137 -1.099 1.00 10.00 O ATOM 476 CB ALA A 35 -14.393 3.886 -0.740 1.00 10.00 C ATOM 0 H ALA A 35 -12.441 2.233 0.956 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.535 1.745 -0.935 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.654 4.083 -1.780 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.288 3.954 -0.122 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -13.663 4.623 -0.404 1.00 10.00 H new ATOM 482 N LYS A 36 -12.837 2.362 -2.860 1.00 10.00 N ATOM 483 CA LYS A 36 -11.816 2.209 -3.891 1.00 10.00 C ATOM 484 C LYS A 36 -10.967 3.476 -4.087 1.00 10.00 C ATOM 485 O LYS A 36 -11.332 4.389 -4.823 1.00 10.00 O ATOM 486 CB LYS A 36 -12.450 1.699 -5.188 1.00 10.00 C ATOM 487 CG LYS A 36 -13.480 2.669 -5.801 1.00 10.00 C ATOM 488 CD LYS A 36 -14.835 1.998 -6.070 1.00 10.00 C ATOM 489 CE LYS A 36 -14.742 0.980 -7.214 1.00 10.00 C ATOM 490 NZ LYS A 36 -16.035 0.296 -7.431 1.00 10.00 N ATOM 0 H LYS A 36 -13.773 2.513 -3.237 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.105 1.455 -3.552 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.662 1.512 -5.918 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.936 0.743 -4.992 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -13.624 3.514 -5.127 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.085 3.070 -6.735 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -15.181 1.499 -5.165 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -15.576 2.758 -6.318 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -14.438 1.486 -8.130 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -13.972 0.243 -6.986 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -15.940 -0.386 -8.210 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -16.312 -0.206 -6.563 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -16.763 0.998 -7.672 1.00 10.00 H new ATOM 504 N ILE A 37 -9.816 3.518 -3.420 1.00 10.00 N ATOM 505 CA ILE A 37 -8.842 4.600 -3.545 1.00 10.00 C ATOM 506 C ILE A 37 -8.114 4.485 -4.895 1.00 10.00 C ATOM 507 O ILE A 37 -7.686 3.397 -5.268 1.00 10.00 O ATOM 508 CB ILE A 37 -7.852 4.539 -2.364 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.601 4.601 -1.017 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.836 5.689 -2.457 1.00 10.00 C ATOM 511 CD1 ILE A 37 -7.694 4.346 0.190 1.00 10.00 C ATOM 0 H ILE A 37 -9.529 2.789 -2.767 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.348 5.565 -3.515 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.317 3.591 -2.418 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.067 5.581 -0.913 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.405 3.865 -1.021 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.144 5.632 -1.617 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.280 5.608 -3.391 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.363 6.643 -2.430 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.282 4.404 1.106 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.248 3.355 0.107 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -6.905 5.098 0.218 1.00 10.00 H new ATOM 523 N ALA A 38 -7.944 5.589 -5.629 1.00 10.00 N ATOM 524 CA ALA A 38 -7.136 5.578 -6.848 1.00 10.00 C ATOM 525 C ALA A 38 -5.640 5.522 -6.526 1.00 10.00 C ATOM 526 O ALA A 38 -5.079 6.456 -5.950 1.00 10.00 O ATOM 527 CB ALA A 38 -7.463 6.785 -7.721 1.00 10.00 C ATOM 0 H ALA A 38 -8.353 6.495 -5.401 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.385 4.675 -7.406 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.851 6.758 -8.623 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.517 6.760 -7.997 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.254 7.701 -7.168 1.00 10.00 H new ATOM 533 N ILE A 39 -5.012 4.398 -6.875 1.00 10.00 N ATOM 534 CA ILE A 39 -3.599 4.147 -6.652 1.00 10.00 C ATOM 535 C ILE A 39 -2.804 4.215 -7.952 1.00 10.00 C ATOM 536 O ILE A 39 -2.842 3.305 -8.776 1.00 10.00 O ATOM 537 CB ILE A 39 -3.395 2.801 -5.959 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.238 2.714 -4.682 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.894 2.600 -5.683 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.858 3.735 -3.602 1.00 10.00 C ATOM 0 H ILE A 39 -5.490 3.621 -7.332 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.222 4.933 -5.998 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.734 1.994 -6.609 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.287 2.853 -4.943 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.143 1.711 -4.266 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.740 1.641 -5.188 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.346 2.614 -6.625 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.532 3.402 -5.040 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.504 3.603 -2.734 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.819 3.584 -3.308 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.981 4.744 -3.996 1.00 10.00 H new ATOM 552 N ASP A 40 -2.031 5.289 -8.065 1.00 10.00 N ATOM 553 CA ASP A 40 -1.146 5.575 -9.175 1.00 10.00 C ATOM 554 C ASP A 40 0.210 6.029 -8.624 1.00 10.00 C ATOM 555 O ASP A 40 0.296 6.543 -7.505 1.00 10.00 O ATOM 556 CB ASP A 40 -1.761 6.698 -10.027 1.00 10.00 C ATOM 557 CG ASP A 40 -3.215 6.464 -10.407 1.00 10.00 C ATOM 558 OD1 ASP A 40 -4.077 6.765 -9.552 1.00 10.00 O ATOM 559 OD2 ASP A 40 -3.435 6.041 -11.561 1.00 10.00 O ATOM 0 H ASP A 40 -2.007 6.015 -7.349 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.011 4.685 -9.789 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.687 7.637 -9.479 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.173 6.812 -10.937 1.00 10.00 H new ATOM 564 N LYS A 41 1.252 5.943 -9.447 1.00 10.00 N ATOM 565 CA LYS A 41 2.614 6.406 -9.189 1.00 10.00 C ATOM 566 C LYS A 41 2.770 7.894 -8.801 1.00 10.00 C ATOM 567 O LYS A 41 3.893 8.329 -8.551 1.00 10.00 O ATOM 568 CB LYS A 41 3.511 6.039 -10.383 1.00 10.00 C ATOM 569 CG LYS A 41 2.920 6.478 -11.727 1.00 10.00 C ATOM 570 CD LYS A 41 3.962 6.329 -12.843 1.00 10.00 C ATOM 571 CE LYS A 41 3.271 5.980 -14.167 1.00 10.00 C ATOM 572 NZ LYS A 41 2.928 4.541 -14.233 1.00 10.00 N ATOM 0 H LYS A 41 1.162 5.521 -10.371 1.00 10.00 H new ATOM 0 HA LYS A 41 2.932 5.883 -8.287 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.489 6.502 -10.253 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.668 4.960 -10.395 1.00 10.00 H new ATOM 0 HG2 LYS A 41 2.041 5.877 -11.959 1.00 10.00 H new ATOM 0 HG3 LYS A 41 2.590 7.515 -11.665 1.00 10.00 H new ATOM 0 HD2 LYS A 41 4.525 7.256 -12.951 1.00 10.00 H new ATOM 0 HD3 LYS A 41 4.678 5.550 -12.581 1.00 10.00 H new ATOM 0 HE2 LYS A 41 2.365 6.577 -14.275 1.00 10.00 H new ATOM 0 HE3 LYS A 41 3.925 6.239 -15.000 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 1.999 4.426 -14.686 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 3.649 4.037 -14.788 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 2.895 4.148 -13.271 1.00 10.00 H new ATOM 586 N LYS A 42 1.685 8.667 -8.685 1.00 10.00 N ATOM 587 CA LYS A 42 1.680 9.881 -7.877 1.00 10.00 C ATOM 588 C LYS A 42 1.426 9.481 -6.416 1.00 10.00 C ATOM 589 O LYS A 42 2.346 9.471 -5.599 1.00 10.00 O ATOM 590 CB LYS A 42 0.617 10.869 -8.403 1.00 10.00 C ATOM 591 CG LYS A 42 1.252 12.132 -8.999 1.00 10.00 C ATOM 592 CD LYS A 42 0.188 13.171 -9.397 1.00 10.00 C ATOM 593 CE LYS A 42 -0.411 13.890 -8.175 1.00 10.00 C ATOM 594 NZ LYS A 42 -1.454 14.863 -8.570 1.00 10.00 N ATOM 0 H LYS A 42 0.797 8.468 -9.145 1.00 10.00 H new ATOM 0 HA LYS A 42 2.640 10.392 -7.941 1.00 10.00 H new ATOM 0 HB2 LYS A 42 0.008 10.377 -9.161 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -0.052 11.149 -7.589 1.00 10.00 H new ATOM 0 HG2 LYS A 42 1.937 12.572 -8.274 1.00 10.00 H new ATOM 0 HG3 LYS A 42 1.844 11.864 -9.874 1.00 10.00 H new ATOM 0 HD2 LYS A 42 0.634 13.907 -10.066 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -0.609 12.677 -9.952 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -0.839 13.155 -7.493 1.00 10.00 H new ATOM 0 HE3 LYS A 42 0.381 14.406 -7.632 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -1.835 15.328 -7.721 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -1.040 15.579 -9.201 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -2.221 14.367 -9.066 1.00 10.00 H new ATOM 608 N SER A 43 0.175 9.131 -6.095 1.00 10.00 N ATOM 609 CA SER A 43 -0.269 8.835 -4.735 1.00 10.00 C ATOM 610 C SER A 43 0.628 7.797 -4.048 1.00 10.00 C ATOM 611 O SER A 43 1.155 8.042 -2.962 1.00 10.00 O ATOM 612 CB SER A 43 -1.737 8.392 -4.754 1.00 10.00 C ATOM 613 OG SER A 43 -2.212 8.308 -3.428 1.00 10.00 O ATOM 0 H SER A 43 -0.568 9.045 -6.789 1.00 10.00 H new ATOM 0 HA SER A 43 -0.187 9.746 -4.143 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.337 9.102 -5.324 1.00 10.00 H new ATOM 0 HB3 SER A 43 -1.832 7.426 -5.249 1.00 10.00 H new ATOM 0 HG SER A 43 -3.151 8.027 -3.434 1.00 10.00 H new ATOM 619 N ALA A 44 0.873 6.678 -4.741 1.00 10.00 N ATOM 620 CA ALA A 44 1.717 5.573 -4.291 1.00 10.00 C ATOM 621 C ALA A 44 3.144 5.983 -3.899 1.00 10.00 C ATOM 622 O ALA A 44 3.814 5.236 -3.188 1.00 10.00 O ATOM 623 CB ALA A 44 1.776 4.519 -5.397 1.00 10.00 C ATOM 0 H ALA A 44 0.472 6.515 -5.665 1.00 10.00 H new ATOM 0 HA ALA A 44 1.260 5.182 -3.382 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.403 3.688 -5.074 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.770 4.155 -5.606 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.197 4.962 -6.300 1.00 10.00 H new ATOM 629 N HIS A 45 3.621 7.142 -4.373 1.00 10.00 N ATOM 630 CA HIS A 45 4.942 7.673 -4.045 1.00 10.00 C ATOM 631 C HIS A 45 4.875 9.023 -3.312 1.00 10.00 C ATOM 632 O HIS A 45 5.892 9.704 -3.189 1.00 10.00 O ATOM 633 CB HIS A 45 5.777 7.768 -5.324 1.00 10.00 C ATOM 634 CG HIS A 45 5.835 6.496 -6.133 1.00 10.00 C ATOM 635 ND1 HIS A 45 5.520 6.414 -7.462 1.00 10.00 N ATOM 636 CD2 HIS A 45 6.280 5.260 -5.737 1.00 10.00 C ATOM 637 CE1 HIS A 45 5.768 5.159 -7.861 1.00 10.00 C ATOM 638 NE2 HIS A 45 6.243 4.408 -6.853 1.00 10.00 N ATOM 0 H HIS A 45 3.089 7.742 -5.003 1.00 10.00 H new ATOM 0 HA HIS A 45 5.422 6.985 -3.349 1.00 10.00 H new ATOM 0 HB2 HIS A 45 5.370 8.562 -5.950 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.793 8.060 -5.058 1.00 10.00 H new ATOM 0 HD1 HIS A 45 5.161 7.171 -8.044 1.00 10.00 H new ATOM 0 HD2 HIS A 45 6.602 4.990 -4.742 1.00 10.00 H new ATOM 0 HE1 HIS A 45 5.607 4.797 -8.866 1.00 10.00 H new ATOM 646 N LYS A 46 3.696 9.412 -2.814 1.00 10.00 N ATOM 647 CA LYS A 46 3.495 10.646 -2.060 1.00 10.00 C ATOM 648 C LYS A 46 3.012 10.319 -0.642 1.00 10.00 C ATOM 649 O LYS A 46 3.816 10.219 0.289 1.00 10.00 O ATOM 650 CB LYS A 46 2.513 11.555 -2.822 1.00 10.00 C ATOM 651 CG LYS A 46 3.090 12.096 -4.139 1.00 10.00 C ATOM 652 CD LYS A 46 3.563 13.556 -4.055 1.00 10.00 C ATOM 653 CE LYS A 46 4.778 13.721 -3.135 1.00 10.00 C ATOM 654 NZ LYS A 46 5.308 15.101 -3.186 1.00 10.00 N ATOM 0 H LYS A 46 2.842 8.866 -2.928 1.00 10.00 H new ATOM 0 HA LYS A 46 4.436 11.187 -1.960 1.00 10.00 H new ATOM 0 HB2 LYS A 46 1.601 10.997 -3.034 1.00 10.00 H new ATOM 0 HB3 LYS A 46 2.233 12.393 -2.184 1.00 10.00 H new ATOM 0 HG2 LYS A 46 3.928 11.469 -4.442 1.00 10.00 H new ATOM 0 HG3 LYS A 46 2.332 12.014 -4.918 1.00 10.00 H new ATOM 0 HD2 LYS A 46 3.815 13.912 -5.054 1.00 10.00 H new ATOM 0 HD3 LYS A 46 2.747 14.180 -3.691 1.00 10.00 H new ATOM 0 HE2 LYS A 46 4.497 13.475 -2.111 1.00 10.00 H new ATOM 0 HE3 LYS A 46 5.558 13.019 -3.430 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 6.129 15.181 -2.553 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 5.598 15.326 -4.159 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 4.570 15.768 -2.882 1.00 10.00 H new ATOM 668 N ASP A 47 1.698 10.158 -0.484 1.00 10.00 N ATOM 669 CA ASP A 47 1.058 9.928 0.796 1.00 10.00 C ATOM 670 C ASP A 47 0.702 8.442 0.960 1.00 10.00 C ATOM 671 O ASP A 47 1.327 7.743 1.763 1.00 10.00 O ATOM 672 CB ASP A 47 -0.139 10.875 0.918 1.00 10.00 C ATOM 673 CG ASP A 47 -0.663 10.859 2.342 1.00 10.00 C ATOM 674 OD1 ASP A 47 -1.212 9.804 2.716 1.00 10.00 O ATOM 675 OD2 ASP A 47 -0.455 11.879 3.029 1.00 10.00 O ATOM 0 H ASP A 47 1.041 10.186 -1.264 1.00 10.00 H new ATOM 0 HA ASP A 47 1.735 10.153 1.620 1.00 10.00 H new ATOM 0 HB2 ASP A 47 0.156 11.887 0.641 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -0.926 10.572 0.228 1.00 10.00 H new ATOM 680 N ALA A 48 -0.255 7.962 0.157 1.00 10.00 N ATOM 681 CA ALA A 48 -0.785 6.606 0.214 1.00 10.00 C ATOM 682 C ALA A 48 0.322 5.554 0.354 1.00 10.00 C ATOM 683 O ALA A 48 1.206 5.446 -0.498 1.00 10.00 O ATOM 684 CB ALA A 48 -1.646 6.336 -1.022 1.00 10.00 C ATOM 0 H ALA A 48 -0.691 8.528 -0.570 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.404 6.525 1.108 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.041 5.321 -0.976 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.473 7.046 -1.052 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.039 6.449 -1.920 1.00 10.00 H new ATOM 690 N CYS A 49 0.277 4.799 1.456 1.00 10.00 N ATOM 691 CA CYS A 49 1.201 3.711 1.778 1.00 10.00 C ATOM 692 C CYS A 49 2.584 4.232 2.168 1.00 10.00 C ATOM 693 O CYS A 49 2.997 4.104 3.323 1.00 10.00 O ATOM 694 CB CYS A 49 1.228 2.665 0.684 1.00 10.00 C ATOM 695 SG CYS A 49 -0.495 2.166 0.359 1.00 10.00 S ATOM 0 H CYS A 49 -0.433 4.936 2.176 1.00 10.00 H new ATOM 0 HA CYS A 49 0.825 3.203 2.666 1.00 10.00 H new ATOM 0 HB2 CYS A 49 1.687 3.067 -0.219 1.00 10.00 H new ATOM 0 HB3 CYS A 49 1.825 1.806 0.990 1.00 10.00 H new ATOM 700 N LYS A 50 3.288 4.865 1.227 1.00 10.00 N ATOM 701 CA LYS A 50 4.595 5.465 1.463 1.00 10.00 C ATOM 702 C LYS A 50 4.674 6.255 2.774 1.00 10.00 C ATOM 703 O LYS A 50 5.538 5.959 3.594 1.00 10.00 O ATOM 704 CB LYS A 50 5.018 6.309 0.251 1.00 10.00 C ATOM 705 CG LYS A 50 5.950 5.512 -0.678 1.00 10.00 C ATOM 706 CD LYS A 50 7.433 5.884 -0.507 1.00 10.00 C ATOM 707 CE LYS A 50 7.990 5.463 0.861 1.00 10.00 C ATOM 708 NZ LYS A 50 9.449 5.697 0.949 1.00 10.00 N ATOM 0 H LYS A 50 2.958 4.975 0.268 1.00 10.00 H new ATOM 0 HA LYS A 50 5.307 4.649 1.582 1.00 10.00 H new ATOM 0 HB2 LYS A 50 4.134 6.627 -0.301 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.524 7.213 0.591 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.824 4.447 -0.483 1.00 10.00 H new ATOM 0 HG3 LYS A 50 5.655 5.684 -1.713 1.00 10.00 H new ATOM 0 HD2 LYS A 50 8.017 5.409 -1.295 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.551 6.961 -0.628 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.483 6.021 1.648 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.779 4.407 1.032 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 9.792 5.402 1.885 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 9.934 5.145 0.213 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 9.647 6.709 0.811 1.00 10.00 H new ATOM 722 N THR A 51 3.805 7.242 3.002 1.00 10.00 N ATOM 723 CA THR A 51 3.893 8.073 4.208 1.00 10.00 C ATOM 724 C THR A 51 3.509 7.330 5.502 1.00 10.00 C ATOM 725 O THR A 51 3.961 7.730 6.573 1.00 10.00 O ATOM 726 CB THR A 51 3.200 9.430 3.993 1.00 10.00 C ATOM 727 OG1 THR A 51 3.990 10.173 3.072 1.00 10.00 O ATOM 728 CG2 THR A 51 3.116 10.275 5.265 1.00 10.00 C ATOM 0 H THR A 51 3.038 7.485 2.375 1.00 10.00 H new ATOM 0 HA THR A 51 4.945 8.304 4.377 1.00 10.00 H new ATOM 0 HB THR A 51 2.187 9.224 3.648 1.00 10.00 H new ATOM 0 HG1 THR A 51 3.782 9.887 2.158 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.616 11.218 5.043 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.550 9.735 6.024 1.00 10.00 H new ATOM 0 HG23 THR A 51 4.121 10.475 5.636 1.00 10.00 H new ATOM 736 N CYS A 52 2.784 6.203 5.435 1.00 10.00 N ATOM 737 CA CYS A 52 2.696 5.303 6.595 1.00 10.00 C ATOM 738 C CYS A 52 4.038 4.596 6.791 1.00 10.00 C ATOM 739 O CYS A 52 4.661 4.714 7.841 1.00 10.00 O ATOM 740 CB CYS A 52 1.570 4.311 6.460 1.00 10.00 C ATOM 741 SG CYS A 52 1.540 3.260 7.948 1.00 10.00 S ATOM 0 H CYS A 52 2.263 5.898 4.613 1.00 10.00 H new ATOM 0 HA CYS A 52 2.472 5.902 7.478 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.619 4.831 6.345 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.709 3.700 5.568 1.00 10.00 H new ATOM 746 N HIS A 53 4.521 3.926 5.742 1.00 10.00 N ATOM 747 CA HIS A 53 5.823 3.269 5.709 1.00 10.00 C ATOM 748 C HIS A 53 6.960 4.141 6.295 1.00 10.00 C ATOM 749 O HIS A 53 7.747 3.660 7.106 1.00 10.00 O ATOM 750 CB HIS A 53 6.085 2.830 4.258 1.00 10.00 C ATOM 751 CG HIS A 53 5.382 1.562 3.843 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.666 0.812 2.729 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.326 0.963 4.465 1.00 10.00 C ATOM 754 CE1 HIS A 53 4.805 -0.230 2.702 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.965 -0.189 3.745 1.00 10.00 N ATOM 0 H HIS A 53 4.001 3.825 4.871 1.00 10.00 H new ATOM 0 HA HIS A 53 5.808 2.395 6.360 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.778 3.634 3.589 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.158 2.695 4.123 1.00 10.00 H new ATOM 0 HD1 HIS A 53 6.396 1.006 2.044 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.845 1.317 5.365 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.796 -0.995 1.940 1.00 10.00 H new ATOM 763 N LYS A 54 7.039 5.423 5.917 1.00 10.00 N ATOM 764 CA LYS A 54 7.938 6.411 6.531 1.00 10.00 C ATOM 765 C LYS A 54 7.935 6.398 8.068 1.00 10.00 C ATOM 766 O LYS A 54 8.977 6.568 8.693 1.00 10.00 O ATOM 767 CB LYS A 54 7.567 7.801 6.061 1.00 10.00 C ATOM 768 CG LYS A 54 7.894 7.982 4.585 1.00 10.00 C ATOM 769 CD LYS A 54 7.965 9.490 4.400 1.00 10.00 C ATOM 770 CE LYS A 54 7.717 9.936 2.955 1.00 10.00 C ATOM 771 NZ LYS A 54 7.442 11.388 2.890 1.00 10.00 N ATOM 0 H LYS A 54 6.471 5.810 5.163 1.00 10.00 H new ATOM 0 HA LYS A 54 8.943 6.133 6.213 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.503 7.973 6.225 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.105 8.544 6.650 1.00 10.00 H new ATOM 0 HG2 LYS A 54 8.839 7.504 4.325 1.00 10.00 H new ATOM 0 HG3 LYS A 54 7.127 7.539 3.950 1.00 10.00 H new ATOM 0 HD2 LYS A 54 7.230 9.964 5.050 1.00 10.00 H new ATOM 0 HD3 LYS A 54 8.946 9.842 4.718 1.00 10.00 H new ATOM 0 HE2 LYS A 54 8.587 9.699 2.343 1.00 10.00 H new ATOM 0 HE3 LYS A 54 6.874 9.383 2.539 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 7.277 11.666 1.902 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 6.598 11.607 3.457 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 8.257 11.913 3.266 1.00 10.00 H new ATOM 785 N SER A 55 6.755 6.232 8.671 1.00 10.00 N ATOM 786 CA SER A 55 6.553 6.180 10.116 1.00 10.00 C ATOM 787 C SER A 55 6.668 4.742 10.658 1.00 10.00 C ATOM 788 O SER A 55 6.222 4.442 11.765 1.00 10.00 O ATOM 789 CB SER A 55 5.180 6.799 10.417 1.00 10.00 C ATOM 790 OG SER A 55 5.044 7.131 11.786 1.00 10.00 O ATOM 0 H SER A 55 5.887 6.127 8.146 1.00 10.00 H new ATOM 0 HA SER A 55 7.334 6.747 10.623 1.00 10.00 H new ATOM 0 HB2 SER A 55 5.044 7.694 9.810 1.00 10.00 H new ATOM 0 HB3 SER A 55 4.395 6.098 10.133 1.00 10.00 H new ATOM 0 HG SER A 55 5.371 6.389 12.337 1.00 10.00 H new ATOM 796 N ASN A 56 7.249 3.818 9.885 1.00 10.00 N ATOM 797 CA ASN A 56 7.481 2.441 10.282 1.00 10.00 C ATOM 798 C ASN A 56 8.924 2.057 9.943 1.00 10.00 C ATOM 799 O ASN A 56 9.715 2.859 9.455 1.00 10.00 O ATOM 800 CB ASN A 56 6.514 1.514 9.522 1.00 10.00 C ATOM 801 CG ASN A 56 5.046 1.927 9.509 1.00 10.00 C ATOM 802 OD1 ASN A 56 4.343 1.638 8.550 1.00 10.00 O ATOM 803 ND2 ASN A 56 4.539 2.551 10.562 1.00 10.00 N ATOM 0 H ASN A 56 7.577 4.022 8.941 1.00 10.00 H new ATOM 0 HA ASN A 56 7.313 2.337 11.354 1.00 10.00 H new ATOM 0 HB2 ASN A 56 6.856 1.436 8.490 1.00 10.00 H new ATOM 0 HB3 ASN A 56 6.584 0.517 9.957 1.00 10.00 H new ATOM 0 HD21 ASN A 56 3.549 2.797 10.581 1.00 10.00 H new ATOM 0 HD22 ASN A 56 5.138 2.785 11.354 1.00 10.00 H new ATOM 810 N ASN A 57 9.233 0.778 10.138 1.00 10.00 N ATOM 811 CA ASN A 57 10.370 0.124 9.498 1.00 10.00 C ATOM 812 C ASN A 57 10.130 0.008 7.979 1.00 10.00 C ATOM 813 O ASN A 57 10.815 0.647 7.182 1.00 10.00 O ATOM 814 CB ASN A 57 10.643 -1.232 10.177 1.00 10.00 C ATOM 815 CG ASN A 57 9.366 -2.022 10.452 1.00 10.00 C ATOM 816 OD1 ASN A 57 8.821 -2.673 9.573 1.00 10.00 O ATOM 817 ND2 ASN A 57 8.812 -1.910 11.653 1.00 10.00 N ATOM 0 H ASN A 57 8.697 0.162 10.749 1.00 10.00 H new ATOM 0 HA ASN A 57 11.270 0.726 9.624 1.00 10.00 H new ATOM 0 HB2 ASN A 57 11.302 -1.825 9.543 1.00 10.00 H new ATOM 0 HB3 ASN A 57 11.170 -1.064 11.116 1.00 10.00 H new ATOM 0 HD21 ASN A 57 7.923 -2.370 11.849 1.00 10.00 H new ATOM 0 HD22 ASN A 57 9.275 -1.364 12.380 1.00 10.00 H new ATOM 824 N GLY A 58 9.147 -0.802 7.571 1.00 10.00 N ATOM 825 CA GLY A 58 8.929 -1.153 6.173 1.00 10.00 C ATOM 826 C GLY A 58 10.144 -1.859 5.546 1.00 10.00 C ATOM 827 O GLY A 58 11.141 -2.124 6.218 1.00 10.00 O ATOM 0 H GLY A 58 8.479 -1.233 8.210 1.00 10.00 H new ATOM 0 HA2 GLY A 58 8.057 -1.802 6.097 1.00 10.00 H new ATOM 0 HA3 GLY A 58 8.705 -0.250 5.606 1.00 10.00 H new ATOM 831 N PRO A 59 10.088 -2.153 4.240 1.00 10.00 N ATOM 832 CA PRO A 59 11.207 -2.733 3.515 1.00 10.00 C ATOM 833 C PRO A 59 12.201 -1.658 3.036 1.00 10.00 C ATOM 834 O PRO A 59 13.298 -1.993 2.593 1.00 10.00 O ATOM 835 CB PRO A 59 10.544 -3.454 2.345 1.00 10.00 C ATOM 836 CG PRO A 59 9.386 -2.515 1.999 1.00 10.00 C ATOM 837 CD PRO A 59 8.923 -2.026 3.376 1.00 10.00 C ATOM 0 HA PRO A 59 11.805 -3.401 4.135 1.00 10.00 H new ATOM 0 HB2 PRO A 59 11.228 -3.583 1.506 1.00 10.00 H new ATOM 0 HB3 PRO A 59 10.193 -4.447 2.625 1.00 10.00 H new ATOM 0 HG2 PRO A 59 9.710 -1.690 1.365 1.00 10.00 H new ATOM 0 HG3 PRO A 59 8.590 -3.034 1.465 1.00 10.00 H new ATOM 0 HD2 PRO A 59 8.577 -0.993 3.331 1.00 10.00 H new ATOM 0 HD3 PRO A 59 8.091 -2.625 3.747 1.00 10.00 H new ATOM 845 N THR A 60 11.831 -0.370 3.110 1.00 10.00 N ATOM 846 CA THR A 60 12.639 0.818 2.786 1.00 10.00 C ATOM 847 C THR A 60 12.928 1.005 1.285 1.00 10.00 C ATOM 848 O THR A 60 12.674 2.076 0.731 1.00 10.00 O ATOM 849 CB THR A 60 13.913 0.930 3.648 1.00 10.00 C ATOM 850 OG1 THR A 60 14.918 0.033 3.234 1.00 10.00 O ATOM 851 CG2 THR A 60 13.634 0.708 5.138 1.00 10.00 C ATOM 0 H THR A 60 10.894 -0.112 3.419 1.00 10.00 H new ATOM 0 HA THR A 60 12.000 1.659 3.055 1.00 10.00 H new ATOM 0 HB THR A 60 14.266 1.951 3.505 1.00 10.00 H new ATOM 0 HG1 THR A 60 14.520 -0.844 3.055 1.00 10.00 H new ATOM 0 HG21 THR A 60 14.564 0.798 5.700 1.00 10.00 H new ATOM 0 HG22 THR A 60 12.924 1.456 5.491 1.00 10.00 H new ATOM 0 HG23 THR A 60 13.216 -0.288 5.285 1.00 10.00 H new ATOM 859 N LYS A 61 13.448 -0.030 0.622 1.00 10.00 N ATOM 860 CA LYS A 61 13.898 -0.027 -0.769 1.00 10.00 C ATOM 861 C LYS A 61 12.725 -0.047 -1.770 1.00 10.00 C ATOM 862 O LYS A 61 11.689 -0.651 -1.504 1.00 10.00 O ATOM 863 CB LYS A 61 14.779 -1.275 -0.937 1.00 10.00 C ATOM 864 CG LYS A 61 15.697 -1.256 -2.167 1.00 10.00 C ATOM 865 CD LYS A 61 16.562 -2.529 -2.228 1.00 10.00 C ATOM 866 CE LYS A 61 15.761 -3.758 -2.694 1.00 10.00 C ATOM 867 NZ LYS A 61 16.582 -4.991 -2.698 1.00 10.00 N ATOM 0 H LYS A 61 13.572 -0.940 1.066 1.00 10.00 H new ATOM 0 HA LYS A 61 14.447 0.890 -0.983 1.00 10.00 H new ATOM 0 HB2 LYS A 61 15.394 -1.391 -0.044 1.00 10.00 H new ATOM 0 HB3 LYS A 61 14.134 -2.152 -0.996 1.00 10.00 H new ATOM 0 HG2 LYS A 61 15.096 -1.176 -3.073 1.00 10.00 H new ATOM 0 HG3 LYS A 61 16.340 -0.376 -2.132 1.00 10.00 H new ATOM 0 HD2 LYS A 61 17.399 -2.365 -2.907 1.00 10.00 H new ATOM 0 HD3 LYS A 61 16.985 -2.726 -1.243 1.00 10.00 H new ATOM 0 HE2 LYS A 61 14.901 -3.898 -2.040 1.00 10.00 H new ATOM 0 HE3 LYS A 61 15.373 -3.578 -3.697 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 16.002 -5.793 -3.018 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 17.389 -4.868 -3.342 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 16.931 -5.179 -1.737 1.00 10.00 H new ATOM 881 N CYS A 62 12.901 0.543 -2.962 1.00 10.00 N ATOM 882 CA CYS A 62 11.914 0.480 -4.054 1.00 10.00 C ATOM 883 C CYS A 62 11.475 -0.967 -4.339 1.00 10.00 C ATOM 884 O CYS A 62 10.285 -1.290 -4.367 1.00 10.00 O ATOM 885 CB CYS A 62 12.474 1.084 -5.322 1.00 10.00 C ATOM 886 SG CYS A 62 13.235 2.721 -5.108 1.00 10.00 S ATOM 0 H CYS A 62 13.735 1.080 -3.198 1.00 10.00 H new ATOM 0 HA CYS A 62 11.046 1.053 -3.729 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.218 0.403 -5.735 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.672 1.164 -6.056 1.00 10.00 H new ATOM 891 N GLY A 63 12.445 -1.865 -4.531 1.00 10.00 N ATOM 892 CA GLY A 63 12.191 -3.291 -4.733 1.00 10.00 C ATOM 893 C GLY A 63 11.470 -3.971 -3.557 1.00 10.00 C ATOM 894 O GLY A 63 10.999 -5.096 -3.680 1.00 10.00 O ATOM 0 H GLY A 63 13.435 -1.620 -4.550 1.00 10.00 H new ATOM 0 HA2 GLY A 63 11.593 -3.419 -5.635 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.140 -3.798 -4.906 1.00 10.00 H new ATOM 898 N GLY A 64 11.373 -3.289 -2.411 1.00 10.00 N ATOM 899 CA GLY A 64 10.570 -3.712 -1.276 1.00 10.00 C ATOM 900 C GLY A 64 9.064 -3.708 -1.558 1.00 10.00 C ATOM 901 O GLY A 64 8.323 -4.420 -0.886 1.00 10.00 O ATOM 0 H GLY A 64 11.864 -2.409 -2.251 1.00 10.00 H new ATOM 0 HA2 GLY A 64 10.874 -4.716 -0.980 1.00 10.00 H new ATOM 0 HA3 GLY A 64 10.775 -3.055 -0.431 1.00 10.00 H new ATOM 905 N CYS A 65 8.608 -2.903 -2.528 1.00 10.00 N ATOM 906 CA CYS A 65 7.220 -2.948 -2.992 1.00 10.00 C ATOM 907 C CYS A 65 7.140 -3.797 -4.269 1.00 10.00 C ATOM 908 O CYS A 65 6.762 -4.960 -4.231 1.00 10.00 O ATOM 909 CB CYS A 65 6.683 -1.545 -3.169 1.00 10.00 C ATOM 910 SG CYS A 65 6.295 -0.777 -1.559 1.00 10.00 S ATOM 0 H CYS A 65 9.185 -2.211 -3.006 1.00 10.00 H new ATOM 0 HA CYS A 65 6.583 -3.426 -2.248 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.417 -0.936 -3.698 1.00 10.00 H new ATOM 0 HB3 CYS A 65 5.786 -1.572 -3.787 1.00 10.00 H new ATOM 915 N HIS A 66 7.525 -3.222 -5.406 1.00 10.00 N ATOM 916 CA HIS A 66 7.573 -3.904 -6.699 1.00 10.00 C ATOM 917 C HIS A 66 8.605 -5.051 -6.681 1.00 10.00 C ATOM 918 O HIS A 66 9.784 -4.772 -6.484 1.00 10.00 O ATOM 919 CB HIS A 66 7.884 -2.911 -7.843 1.00 10.00 C ATOM 920 CG HIS A 66 7.992 -1.473 -7.476 1.00 10.00 C ATOM 921 ND1 HIS A 66 8.941 -0.988 -6.628 1.00 10.00 N ATOM 922 CD2 HIS A 66 7.138 -0.450 -7.783 1.00 10.00 C ATOM 923 CE1 HIS A 66 8.642 0.291 -6.394 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.566 0.691 -7.085 1.00 10.00 N ATOM 0 H HIS A 66 7.819 -2.247 -5.456 1.00 10.00 H new ATOM 0 HA HIS A 66 6.588 -4.334 -6.882 1.00 10.00 H new ATOM 0 HB2 HIS A 66 8.822 -3.213 -8.309 1.00 10.00 H new ATOM 0 HB3 HIS A 66 7.106 -3.010 -8.599 1.00 10.00 H new ATOM 0 HD1 HIS A 66 9.732 -1.505 -6.244 1.00 10.00 H new ATOM 0 HD2 HIS A 66 6.286 -0.509 -8.444 1.00 10.00 H new ATOM 0 HE1 HIS A 66 9.202 0.929 -5.726 1.00 10.00 H new ATOM 932 N ILE A 67 8.195 -6.302 -6.936 1.00 10.00 N ATOM 933 CA ILE A 67 9.092 -7.470 -6.943 1.00 10.00 C ATOM 934 C ILE A 67 10.403 -7.218 -7.713 1.00 10.00 C ATOM 935 O ILE A 67 10.374 -6.950 -8.914 1.00 10.00 O ATOM 936 CB ILE A 67 8.362 -8.715 -7.499 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.214 -9.113 -6.555 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.327 -9.903 -7.672 1.00 10.00 C ATOM 939 CD1 ILE A 67 6.400 -10.318 -7.036 1.00 10.00 C ATOM 0 H ILE A 67 7.224 -6.535 -7.145 1.00 10.00 H new ATOM 0 HA ILE A 67 9.372 -7.654 -5.906 1.00 10.00 H new ATOM 0 HB ILE A 67 7.961 -8.459 -8.479 1.00 10.00 H new ATOM 0 HG12 ILE A 67 7.627 -9.336 -5.571 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.545 -8.261 -6.434 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.781 -10.761 -8.064 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.121 -9.629 -8.367 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.763 -10.161 -6.707 1.00 10.00 H new ATOM 0 HD11 ILE A 67 5.611 -10.535 -6.316 1.00 10.00 H new ATOM 0 HD12 ILE A 67 5.955 -10.093 -8.005 1.00 10.00 H new ATOM 0 HD13 ILE A 67 7.054 -11.185 -7.129 1.00 10.00 H new ATOM 951 N LYS A 68 11.544 -7.346 -7.024 1.00 10.00 N ATOM 952 CA LYS A 68 12.895 -7.368 -7.573 1.00 10.00 C ATOM 953 C LYS A 68 13.791 -8.194 -6.640 1.00 10.00 C ATOM 954 O LYS A 68 14.892 -8.579 -7.090 1.00 10.00 O ATOM 955 CB LYS A 68 13.469 -5.949 -7.680 1.00 10.00 C ATOM 956 CG LYS A 68 12.705 -5.054 -8.658 1.00 10.00 C ATOM 957 CD LYS A 68 13.523 -3.786 -8.919 1.00 10.00 C ATOM 958 CE LYS A 68 12.749 -2.862 -9.863 1.00 10.00 C ATOM 959 NZ LYS A 68 13.564 -1.693 -10.256 1.00 10.00 N ATOM 960 OXT LYS A 68 13.370 -8.383 -5.475 1.00 10.00 O ATOM 0 H LYS A 68 11.543 -7.442 -6.009 1.00 10.00 H new ATOM 0 HA LYS A 68 12.861 -7.806 -8.570 1.00 10.00 H new ATOM 0 HB2 LYS A 68 13.460 -5.486 -6.693 1.00 10.00 H new ATOM 0 HB3 LYS A 68 14.511 -6.010 -7.994 1.00 10.00 H new ATOM 0 HG2 LYS A 68 12.526 -5.585 -9.593 1.00 10.00 H new ATOM 0 HG3 LYS A 68 11.729 -4.794 -8.247 1.00 10.00 H new ATOM 0 HD2 LYS A 68 13.728 -3.273 -7.979 1.00 10.00 H new ATOM 0 HD3 LYS A 68 14.487 -4.046 -9.357 1.00 10.00 H new ATOM 0 HE2 LYS A 68 12.450 -3.415 -10.753 1.00 10.00 H new ATOM 0 HE3 LYS A 68 11.835 -2.524 -9.376 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 13.013 -1.085 -10.896 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 13.828 -1.153 -9.407 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 14.424 -2.017 -10.742 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -9.317 -1.590 1.328 1.00 10.00 FE HETATM 976 CHA HEC A 130 -10.320 -0.776 -1.774 1.00 10.00 C HETATM 977 CHB HEC A 130 -12.310 -2.632 2.121 1.00 10.00 C HETATM 978 CHC HEC A 130 -8.033 -2.965 4.053 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.428 -0.111 0.712 1.00 10.00 C HETATM 980 NA HEC A 130 -10.957 -1.643 0.398 1.00 10.00 N HETATM 981 C1A HEC A 130 -11.176 -1.309 -0.889 1.00 10.00 C HETATM 982 C2A HEC A 130 -12.519 -1.687 -1.260 1.00 10.00 C HETATM 983 C3A HEC A 130 -13.140 -2.037 -0.099 1.00 10.00 C HETATM 984 C4A HEC A 130 -12.095 -2.125 0.896 1.00 10.00 C HETATM 985 CMA HEC A 130 -14.618 -2.341 0.052 1.00 10.00 C HETATM 986 CAA HEC A 130 -13.091 -1.833 -2.658 1.00 10.00 C HETATM 987 CBA HEC A 130 -12.382 -2.911 -3.508 1.00 10.00 C HETATM 988 CGA HEC A 130 -12.080 -4.236 -2.773 1.00 10.00 C HETATM 989 O1A HEC A 130 -10.892 -4.533 -2.507 1.00 10.00 O HETATM 990 O2A HEC A 130 -13.011 -5.011 -2.445 1.00 10.00 O HETATM 991 NB HEC A 130 -10.026 -2.551 2.808 1.00 10.00 N HETATM 992 C1B HEC A 130 -11.303 -2.850 2.975 1.00 10.00 C HETATM 993 C2B HEC A 130 -11.498 -3.538 4.232 1.00 10.00 C HETATM 994 C3B HEC A 130 -10.252 -3.678 4.784 1.00 10.00 C HETATM 995 C4B HEC A 130 -9.350 -3.039 3.851 1.00 10.00 C HETATM 996 CMB HEC A 130 -12.813 -4.059 4.784 1.00 10.00 C HETATM 997 CAB HEC A 130 -9.884 -4.407 6.073 1.00 10.00 C HETATM 998 CBB HEC A 130 -10.104 -5.921 5.985 1.00 10.00 C HETATM 999 NC HEC A 130 -7.611 -1.566 2.176 1.00 10.00 N HETATM 1000 C1C HEC A 130 -7.262 -2.220 3.277 1.00 10.00 C HETATM 1001 C2C HEC A 130 -5.856 -2.045 3.547 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.449 -1.076 2.681 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.552 -0.878 1.778 1.00 10.00 C HETATM 1004 CMC HEC A 130 -4.994 -2.801 4.544 1.00 10.00 C HETATM 1005 CAC HEC A 130 -4.185 -0.244 2.762 1.00 10.00 C HETATM 1006 CBC HEC A 130 -2.931 -1.003 2.338 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.561 -0.580 -0.190 1.00 10.00 N HETATM 1008 C1D HEC A 130 -7.347 -0.078 -0.219 1.00 10.00 C HETATM 1009 C2D HEC A 130 -7.040 0.470 -1.509 1.00 10.00 C HETATM 1010 C3D HEC A 130 -8.140 0.238 -2.279 1.00 10.00 C HETATM 1011 C4D HEC A 130 -9.105 -0.384 -1.394 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.679 0.953 -1.964 1.00 10.00 C HETATM 1013 CAD HEC A 130 -8.178 0.319 -3.792 1.00 10.00 C HETATM 1014 CBD HEC A 130 -7.636 -0.978 -4.423 1.00 10.00 C HETATM 1015 CGD HEC A 130 -8.054 -1.199 -5.888 1.00 10.00 C HETATM 1016 O1D HEC A 130 -9.235 -0.921 -6.200 1.00 10.00 O HETATM 1017 O2D HEC A 130 -7.187 -1.665 -6.665 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -5.344 1.761 -1.314 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -4.966 0.130 -1.917 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.746 1.317 -2.989 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -5.390 -2.659 5.549 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -5.000 -3.863 4.299 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -3.972 -2.425 4.500 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -13.511 -3.230 4.904 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -13.233 -4.790 4.093 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -12.640 -4.531 5.751 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -15.201 -1.467 -0.239 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -14.883 -3.183 -0.587 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -14.834 -2.591 1.091 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -6.548 -0.967 -4.367 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -7.977 -1.826 -3.829 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -2.794 -1.869 2.985 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -3.038 -1.335 1.305 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -2.064 -0.348 2.420 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -11.154 -6.125 5.777 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -9.489 -6.332 5.184 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -9.825 -6.385 6.931 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -13.001 -3.130 -4.378 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -11.444 -2.499 -3.880 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -9.201 0.491 -4.126 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.585 1.169 -4.130 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -14.150 -2.079 -2.584 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -13.022 -0.874 -3.172 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.539 0.510 0.604 1.00 10.00 H new HETATM 0 HHC HEC A 130 -7.584 -3.528 4.871 1.00 10.00 H new HETATM 0 HHB HEC A 130 -13.328 -2.871 2.427 1.00 10.00 H new HETATM 0 HHA HEC A 130 -10.622 -0.663 -2.815 1.00 10.00 H new HETATM 0 H2D HEC A 130 -6.362 -1.141 -6.587 1.00 10.00 H new HETATM 0 H2A HEC A 130 -13.219 -4.888 -1.495 1.00 10.00 H new HETATM 1050 FE HEC A 153 2.608 -1.581 4.184 1.00 10.00 FE HETATM 1051 CHA HEC A 153 5.165 -3.361 5.301 1.00 10.00 C HETATM 1052 CHB HEC A 153 2.764 -3.186 1.235 1.00 10.00 C HETATM 1053 CHC HEC A 153 0.347 0.454 2.941 1.00 10.00 C HETATM 1054 CHD HEC A 153 2.208 -0.216 7.204 1.00 10.00 C HETATM 1055 NA HEC A 153 3.706 -2.969 3.434 1.00 10.00 N HETATM 1056 C1A HEC A 153 4.712 -3.583 4.067 1.00 10.00 C HETATM 1057 C2A HEC A 153 5.310 -4.578 3.206 1.00 10.00 C HETATM 1058 C3A HEC A 153 4.549 -4.600 2.074 1.00 10.00 C HETATM 1059 C4A HEC A 153 3.582 -3.539 2.228 1.00 10.00 C HETATM 1060 CMA HEC A 153 4.741 -5.519 0.880 1.00 10.00 C HETATM 1061 CAA HEC A 153 6.523 -5.443 3.493 1.00 10.00 C HETATM 1062 CBA HEC A 153 6.197 -6.713 4.300 1.00 10.00 C HETATM 1063 CGA HEC A 153 7.446 -7.483 4.768 1.00 10.00 C HETATM 1064 O1A HEC A 153 7.310 -8.269 5.732 1.00 10.00 O HETATM 1065 O2A HEC A 153 8.524 -7.257 4.170 1.00 10.00 O HETATM 1066 NB HEC A 153 1.779 -1.361 2.418 1.00 10.00 N HETATM 1067 C1B HEC A 153 1.968 -2.119 1.337 1.00 10.00 C HETATM 1068 C2B HEC A 153 1.168 -1.627 0.231 1.00 10.00 C HETATM 1069 C3B HEC A 153 0.556 -0.486 0.679 1.00 10.00 C HETATM 1070 C4B HEC A 153 0.890 -0.423 2.098 1.00 10.00 C HETATM 1071 CMB HEC A 153 1.013 -2.238 -1.156 1.00 10.00 C HETATM 1072 CAB HEC A 153 -0.375 0.425 -0.156 1.00 10.00 C HETATM 1073 CBB HEC A 153 -0.082 0.547 -1.660 1.00 10.00 C HETATM 1074 NC HEC A 153 1.491 -0.196 4.923 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.618 0.526 4.240 1.00 10.00 C HETATM 1076 C2C HEC A 153 -0.056 1.476 5.105 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.481 1.283 6.349 1.00 10.00 C HETATM 1078 C4C HEC A 153 1.451 0.217 6.192 1.00 10.00 C HETATM 1079 CMC HEC A 153 -1.120 2.503 4.728 1.00 10.00 C HETATM 1080 CAC HEC A 153 0.205 2.076 7.624 1.00 10.00 C HETATM 1081 CBC HEC A 153 -1.141 2.797 7.747 1.00 10.00 C HETATM 1082 ND HEC A 153 3.532 -1.714 5.886 1.00 10.00 N HETATM 1083 C1D HEC A 153 3.193 -1.101 7.027 1.00 10.00 C HETATM 1084 C2D HEC A 153 4.035 -1.570 8.108 1.00 10.00 C HETATM 1085 C3D HEC A 153 4.910 -2.453 7.542 1.00 10.00 C HETATM 1086 C4D HEC A 153 4.557 -2.523 6.143 1.00 10.00 C HETATM 1087 CMD HEC A 153 3.894 -1.318 9.600 1.00 10.00 C HETATM 1088 CAD HEC A 153 5.888 -3.345 8.284 1.00 10.00 C HETATM 1089 CBD HEC A 153 5.416 -4.807 8.403 1.00 10.00 C HETATM 1090 CGD HEC A 153 4.122 -5.004 9.213 1.00 10.00 C HETATM 1091 O1D HEC A 153 4.209 -5.640 10.293 1.00 10.00 O HETATM 1092 O2D HEC A 153 3.044 -4.575 8.745 1.00 10.00 O HETATM 0 HMD3 HEC A 153 3.943 -0.247 9.794 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 2.936 -1.706 9.946 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 4.702 -1.820 10.132 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -0.715 3.191 3.986 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -1.988 1.992 4.312 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.418 3.060 5.616 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 1.987 -2.286 -1.643 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 0.602 -3.243 -1.067 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 0.340 -1.622 -1.752 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 5.730 -5.357 0.452 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 4.650 -6.557 1.201 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 3.981 -5.304 0.129 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 5.265 -5.208 7.401 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 6.210 -5.394 8.865 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -1.242 3.520 6.938 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -1.950 2.069 7.686 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -1.190 3.315 8.705 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 0.921 0.949 -1.804 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 -0.148 -0.437 -2.125 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -0.810 1.215 -2.120 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 5.603 -6.437 5.171 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 5.581 -7.373 3.690 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 6.850 -3.322 7.771 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 6.050 -2.941 9.283 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 6.985 -5.731 2.549 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 7.258 -4.853 4.041 1.00 10.00 H new HETATM 0 HHD HEC A 153 2.016 0.165 8.207 1.00 10.00 H new HETATM 0 HHC HEC A 153 -0.373 1.165 2.535 1.00 10.00 H new HETATM 0 HHB HEC A 153 2.745 -3.781 0.322 1.00 10.00 H new HETATM 0 HHA HEC A 153 6.063 -3.882 5.634 1.00 10.00 H new HETATM 0 H2D HEC A 153 2.509 -4.181 9.465 1.00 10.00 H new HETATM 0 H2A HEC A 153 9.241 -7.789 4.575 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.892 2.556 -7.021 1.00 10.00 FE HETATM 1126 CHA HEC A 166 4.790 2.246 -9.657 1.00 10.00 C HETATM 1127 CHB HEC A 166 9.388 3.250 -9.028 1.00 10.00 C HETATM 1128 CHC HEC A 166 8.829 3.146 -4.362 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.520 1.355 -5.034 1.00 10.00 C HETATM 1130 NA HEC A 166 7.064 2.669 -8.917 1.00 10.00 N HETATM 1131 C1A HEC A 166 6.098 2.506 -9.851 1.00 10.00 C HETATM 1132 C2A HEC A 166 6.657 2.775 -11.160 1.00 10.00 C HETATM 1133 C3A HEC A 166 7.991 2.968 -10.976 1.00 10.00 C HETATM 1134 C4A HEC A 166 8.197 2.955 -9.551 1.00 10.00 C HETATM 1135 CMA HEC A 166 9.019 3.262 -12.053 1.00 10.00 C HETATM 1136 CAA HEC A 166 5.935 3.008 -12.469 1.00 10.00 C HETATM 1137 CBA HEC A 166 5.992 1.832 -13.456 1.00 10.00 C HETATM 1138 CGA HEC A 166 5.335 2.157 -14.809 1.00 10.00 C HETATM 1139 O1A HEC A 166 5.112 3.367 -15.070 1.00 10.00 O HETATM 1140 O2A HEC A 166 5.026 1.206 -15.554 1.00 10.00 O HETATM 1141 NB HEC A 166 8.702 3.161 -6.745 1.00 10.00 N HETATM 1142 C1B HEC A 166 9.576 3.367 -7.716 1.00 10.00 C HETATM 1143 C2B HEC A 166 10.858 3.748 -7.173 1.00 10.00 C HETATM 1144 C3B HEC A 166 10.716 3.717 -5.811 1.00 10.00 C HETATM 1145 C4B HEC A 166 9.324 3.383 -5.583 1.00 10.00 C HETATM 1146 CMB HEC A 166 12.112 4.047 -7.976 1.00 10.00 C HETATM 1147 CAB HEC A 166 11.829 3.826 -4.766 1.00 10.00 C HETATM 1148 CBB HEC A 166 12.359 5.255 -4.606 1.00 10.00 C HETATM 1149 NC HEC A 166 6.730 2.281 -5.118 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.642 2.558 -4.196 1.00 10.00 C HETATM 1151 C2C HEC A 166 7.229 2.063 -2.905 1.00 10.00 C HETATM 1152 C3C HEC A 166 6.012 1.473 -3.105 1.00 10.00 C HETATM 1153 C4C HEC A 166 5.697 1.699 -4.502 1.00 10.00 C HETATM 1154 CMC HEC A 166 8.073 2.041 -1.641 1.00 10.00 C HETATM 1155 CAC HEC A 166 5.250 0.606 -2.108 1.00 10.00 C HETATM 1156 CBC HEC A 166 4.657 1.367 -0.915 1.00 10.00 C HETATM 1157 ND HEC A 166 5.008 1.968 -7.295 1.00 10.00 N HETATM 1158 C1D HEC A 166 4.217 1.543 -6.323 1.00 10.00 C HETATM 1159 C2D HEC A 166 2.888 1.289 -6.831 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.912 1.589 -8.166 1.00 10.00 C HETATM 1161 C4D HEC A 166 4.295 1.966 -8.445 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.653 0.870 -6.043 1.00 10.00 C HETATM 1163 CAD HEC A 166 1.638 1.525 -9.022 1.00 10.00 C HETATM 1164 CBD HEC A 166 1.666 1.428 -10.556 1.00 10.00 C HETATM 1165 CGD HEC A 166 1.776 2.777 -11.311 1.00 10.00 C HETATM 1166 O1D HEC A 166 1.126 3.758 -10.895 1.00 10.00 O HETATM 1167 O2D HEC A 166 2.538 2.860 -12.303 1.00 10.00 O HETATM 0 HMD3 HEC A 166 1.844 -0.081 -5.545 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 1.422 1.630 -5.297 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 0.808 0.760 -6.722 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 8.966 1.439 -1.810 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 8.365 3.058 -1.381 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 7.494 1.610 -0.824 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 12.391 3.167 -8.556 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 11.922 4.881 -8.651 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 12.925 4.307 -7.298 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 9.037 2.443 -12.772 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 8.756 4.188 -12.564 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 10.004 3.366 -11.597 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 2.508 0.800 -10.847 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 0.760 0.920 -10.887 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 5.458 1.854 -0.359 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 3.956 2.120 -1.276 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 4.134 0.669 -0.261 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 12.762 5.602 -5.557 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 11.547 5.912 -4.295 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 13.146 5.269 -3.852 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 7.032 1.552 -13.620 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 5.495 0.968 -13.014 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 1.070 0.665 -8.668 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 1.056 2.414 -8.778 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 4.890 3.235 -12.256 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 6.360 3.889 -12.950 1.00 10.00 H new HETATM 0 HHD HEC A 166 3.771 0.899 -4.386 1.00 10.00 H new HETATM 0 HHC HEC A 166 9.407 3.439 -3.485 1.00 10.00 H new HETATM 0 HHB HEC A 166 10.235 3.400 -9.697 1.00 10.00 H new HETATM 0 HHA HEC A 166 4.115 2.264 -10.513 1.00 10.00 H new HETATM 0 H2D HEC A 166 2.108 2.448 -13.081 1.00 10.00 H new HETATM 0 H2A HEC A 166 4.588 1.551 -16.360 1.00 10.00 H new