USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=22 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+ 156:sc= 2.31 (180deg=1.06) USER MOD Set 1.2: A 166 HEC O2D : rot 80:sc= 1.07 USER MOD Set 2.1: A 23 LYS NZ :NH3+ -115:sc= -0.434 (180deg=0.447!) USER MOD Set 2.2: A 153 HEC O2D : rot 127:sc= 0.355 USER MOD Set 3.1: A 6 TYR OH : rot 30:sc= 1.05 USER MOD Set 3.2: A 130 HEC O2D : rot 68:sc= 2 USER MOD Set 4.1: A 57 ASN : amide:sc= -0.316 K(o=0.54,f=-4!) USER MOD Set 4.2: A 60 THR OG1 : rot 180:sc= 0.86 USER MOD Set 5.1: A 5 THR OG1 : rot 180:sc= 0.964 USER MOD Set 5.2: A 14 THR OG1 : rot -42:sc= 1.11 USER MOD Single : A 1 ALA N :NH3+ -126:sc= 1.1 (180deg=-0.0584) USER MOD Single : A 8 ASN : amide:sc= -0.0453 K(o=-0.045,f=-3.4!) USER MOD Single : A 12 ASN : amide:sc= -0.876 K(o=-0.88,f=-2.9) USER MOD Single : A 18 LYS NZ :NH3+ -142:sc= 1.07 (180deg=0.319) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0201) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 169:sc= 1.23 USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= 0.959 (180deg=-0.38) USER MOD Single : A 50 LYS NZ :NH3+ -113:sc= 1.28 (180deg=0.299) USER MOD Single : A 51 THR OG1 : rot 107:sc= 0.882 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 1.19 K(o=1.2,f=-0.02) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -137:sc= 0.231 (180deg=-2.02!) USER MOD Single : A 130 HEC O2A : rot 167:sc= 0 USER MOD Single : A 153 HEC O2A : rot 165:sc= 0 USER MOD Single : A 166 HEC O2A : rot 166:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.149 -9.722 -1.981 1.00 10.00 N ATOM 2 CA ALA A 1 -10.085 -9.384 -2.956 1.00 10.00 C ATOM 3 C ALA A 1 -8.691 -9.791 -2.449 1.00 10.00 C ATOM 4 O ALA A 1 -7.972 -10.496 -3.150 1.00 10.00 O ATOM 5 CB ALA A 1 -10.150 -7.907 -3.355 1.00 10.00 C ATOM 0 H1 ALA A 1 -11.879 -10.296 -2.449 1.00 10.00 H new ATOM 0 H2 ALA A 1 -10.738 -10.261 -1.192 1.00 10.00 H new ATOM 0 H3 ALA A 1 -11.577 -8.847 -1.617 1.00 10.00 H new ATOM 0 HA ALA A 1 -10.266 -9.969 -3.858 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -9.358 -7.688 -4.071 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -11.118 -7.695 -3.809 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -10.021 -7.285 -2.469 1.00 10.00 H new ATOM 13 N ASP A 2 -8.348 -9.401 -1.214 1.00 10.00 N ATOM 14 CA ASP A 2 -7.400 -10.110 -0.353 1.00 10.00 C ATOM 15 C ASP A 2 -5.914 -9.911 -0.713 1.00 10.00 C ATOM 16 O ASP A 2 -5.134 -9.488 0.137 1.00 10.00 O ATOM 17 CB ASP A 2 -7.818 -11.585 -0.216 1.00 10.00 C ATOM 18 CG ASP A 2 -9.199 -11.720 0.407 1.00 10.00 C ATOM 19 OD1 ASP A 2 -10.180 -11.471 -0.334 1.00 10.00 O ATOM 20 OD2 ASP A 2 -9.247 -12.028 1.616 1.00 10.00 O ATOM 0 H ASP A 2 -8.733 -8.563 -0.778 1.00 10.00 H new ATOM 0 HA ASP A 2 -7.460 -9.646 0.632 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -7.813 -12.058 -1.198 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -7.089 -12.115 0.396 1.00 10.00 H new ATOM 25 N VAL A 3 -5.525 -10.195 -1.957 1.00 10.00 N ATOM 26 CA VAL A 3 -4.180 -9.969 -2.486 1.00 10.00 C ATOM 27 C VAL A 3 -4.284 -9.282 -3.850 1.00 10.00 C ATOM 28 O VAL A 3 -4.260 -9.924 -4.899 1.00 10.00 O ATOM 29 CB VAL A 3 -3.400 -11.299 -2.547 1.00 10.00 C ATOM 30 CG1 VAL A 3 -1.957 -11.074 -3.014 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.341 -11.979 -1.172 1.00 10.00 C ATOM 0 H VAL A 3 -6.158 -10.602 -2.646 1.00 10.00 H new ATOM 0 HA VAL A 3 -3.619 -9.309 -1.824 1.00 10.00 H new ATOM 0 HB VAL A 3 -3.932 -11.934 -3.255 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.432 -12.029 -3.047 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -1.962 -10.628 -4.009 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.450 -10.405 -2.319 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -2.784 -12.913 -1.252 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -2.843 -11.319 -0.461 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.353 -12.188 -0.826 1.00 10.00 H new ATOM 41 N VAL A 4 -4.409 -7.953 -3.841 1.00 10.00 N ATOM 42 CA VAL A 4 -4.558 -7.195 -5.076 1.00 10.00 C ATOM 43 C VAL A 4 -3.168 -6.949 -5.693 1.00 10.00 C ATOM 44 O VAL A 4 -2.498 -5.953 -5.414 1.00 10.00 O ATOM 45 CB VAL A 4 -5.366 -5.909 -4.836 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.802 -5.329 -6.185 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.628 -6.079 -3.985 1.00 10.00 C ATOM 0 H VAL A 4 -4.410 -7.385 -2.994 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.135 -7.768 -5.802 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.694 -5.254 -4.282 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.375 -4.417 -6.021 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.921 -5.101 -6.785 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.420 -6.056 -6.711 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.125 -5.115 -3.875 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.303 -6.782 -4.472 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.355 -6.461 -3.001 1.00 10.00 H new ATOM 57 N THR A 5 -2.706 -7.894 -6.513 1.00 10.00 N ATOM 58 CA THR A 5 -1.443 -7.786 -7.248 1.00 10.00 C ATOM 59 C THR A 5 -1.549 -6.827 -8.440 1.00 10.00 C ATOM 60 O THR A 5 -2.101 -7.163 -9.482 1.00 10.00 O ATOM 61 CB THR A 5 -0.913 -9.186 -7.607 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.257 -9.699 -6.469 1.00 10.00 O ATOM 63 CG2 THR A 5 0.128 -9.203 -8.724 1.00 10.00 C ATOM 0 H THR A 5 -3.204 -8.767 -6.688 1.00 10.00 H new ATOM 0 HA THR A 5 -0.695 -7.330 -6.599 1.00 10.00 H new ATOM 0 HB THR A 5 -1.777 -9.761 -7.939 1.00 10.00 H new ATOM 0 HG1 THR A 5 0.091 -10.593 -6.668 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.445 -10.229 -8.910 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.307 -8.787 -9.633 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.990 -8.605 -8.427 1.00 10.00 H new ATOM 71 N TYR A 6 -0.985 -5.624 -8.280 1.00 10.00 N ATOM 72 CA TYR A 6 -0.817 -4.648 -9.357 1.00 10.00 C ATOM 73 C TYR A 6 0.423 -5.012 -10.164 1.00 10.00 C ATOM 74 O TYR A 6 1.532 -4.896 -9.640 1.00 10.00 O ATOM 75 CB TYR A 6 -0.638 -3.246 -8.762 1.00 10.00 C ATOM 76 CG TYR A 6 -1.925 -2.475 -8.510 1.00 10.00 C ATOM 77 CD1 TYR A 6 -3.059 -3.154 -8.028 1.00 10.00 C ATOM 78 CD2 TYR A 6 -1.950 -1.069 -8.598 1.00 10.00 C ATOM 79 CE1 TYR A 6 -4.174 -2.430 -7.586 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.079 -0.346 -8.163 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.193 -1.033 -7.655 1.00 10.00 C ATOM 82 OH TYR A 6 -5.328 -0.403 -7.246 1.00 10.00 O ATOM 0 H TYR A 6 -0.627 -5.298 -7.382 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.698 -4.657 -9.999 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -0.098 -3.336 -7.820 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.010 -2.662 -9.435 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -3.070 -4.234 -7.999 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.098 -0.542 -9.002 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -5.029 -2.956 -7.187 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.087 0.732 -8.220 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.766 -0.937 -6.550 1.00 10.00 H new ATOM 92 N GLU A 7 0.221 -5.454 -11.406 1.00 10.00 N ATOM 93 CA GLU A 7 1.270 -5.824 -12.347 1.00 10.00 C ATOM 94 C GLU A 7 1.757 -4.630 -13.180 1.00 10.00 C ATOM 95 O GLU A 7 0.971 -3.997 -13.880 1.00 10.00 O ATOM 96 CB GLU A 7 0.775 -6.977 -13.227 1.00 10.00 C ATOM 97 CG GLU A 7 0.151 -8.090 -12.380 1.00 10.00 C ATOM 98 CD GLU A 7 0.218 -9.449 -13.064 1.00 10.00 C ATOM 99 OE1 GLU A 7 1.349 -9.984 -13.126 1.00 10.00 O ATOM 100 OE2 GLU A 7 -0.852 -9.925 -13.498 1.00 10.00 O ATOM 0 H GLU A 7 -0.715 -5.567 -11.795 1.00 10.00 H new ATOM 0 HA GLU A 7 2.140 -6.159 -11.782 1.00 10.00 H new ATOM 0 HB2 GLU A 7 0.040 -6.604 -13.941 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.606 -7.379 -13.806 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.665 -8.144 -11.420 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.890 -7.843 -12.171 1.00 10.00 H new ATOM 107 N ASN A 8 3.054 -4.305 -13.081 1.00 10.00 N ATOM 108 CA ASN A 8 3.626 -3.063 -13.601 1.00 10.00 C ATOM 109 C ASN A 8 5.040 -3.323 -14.126 1.00 10.00 C ATOM 110 O ASN A 8 5.748 -4.179 -13.597 1.00 10.00 O ATOM 111 CB ASN A 8 3.652 -1.972 -12.506 1.00 10.00 C ATOM 112 CG ASN A 8 2.734 -2.292 -11.333 1.00 10.00 C ATOM 113 OD1 ASN A 8 1.527 -2.102 -11.394 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.273 -2.869 -10.271 1.00 10.00 N ATOM 0 H ASN A 8 3.742 -4.909 -12.630 1.00 10.00 H new ATOM 0 HA ASN A 8 3.001 -2.707 -14.420 1.00 10.00 H new ATOM 0 HB2 ASN A 8 4.672 -1.854 -12.141 1.00 10.00 H new ATOM 0 HB3 ASN A 8 3.357 -1.018 -12.943 1.00 10.00 H new ATOM 0 HD21 ASN A 8 2.681 -3.160 -9.493 1.00 10.00 H new ATOM 0 HD22 ASN A 8 4.281 -3.023 -10.230 1.00 10.00 H new ATOM 121 N ALA A 9 5.483 -2.552 -15.126 1.00 10.00 N ATOM 122 CA ALA A 9 6.822 -2.670 -15.709 1.00 10.00 C ATOM 123 C ALA A 9 7.954 -2.588 -14.667 1.00 10.00 C ATOM 124 O ALA A 9 9.023 -3.160 -14.859 1.00 10.00 O ATOM 125 CB ALA A 9 6.986 -1.593 -16.784 1.00 10.00 C ATOM 0 H ALA A 9 4.915 -1.822 -15.556 1.00 10.00 H new ATOM 0 HA ALA A 9 6.907 -3.663 -16.150 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.979 -1.669 -17.227 1.00 10.00 H new ATOM 0 HB2 ALA A 9 6.232 -1.734 -17.558 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.864 -0.608 -16.334 1.00 10.00 H new ATOM 131 N ALA A 10 7.708 -1.897 -13.548 1.00 10.00 N ATOM 132 CA ALA A 10 8.649 -1.770 -12.438 1.00 10.00 C ATOM 133 C ALA A 10 8.771 -3.037 -11.569 1.00 10.00 C ATOM 134 O ALA A 10 9.592 -3.061 -10.654 1.00 10.00 O ATOM 135 CB ALA A 10 8.216 -0.573 -11.586 1.00 10.00 C ATOM 0 H ALA A 10 6.830 -1.402 -13.389 1.00 10.00 H new ATOM 0 HA ALA A 10 9.643 -1.620 -12.860 1.00 10.00 H new ATOM 0 HB1 ALA A 10 8.903 -0.455 -10.748 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.228 0.331 -12.195 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.208 -0.742 -11.207 1.00 10.00 H new ATOM 141 N GLY A 11 7.933 -4.055 -11.801 1.00 10.00 N ATOM 142 CA GLY A 11 7.741 -5.195 -10.909 1.00 10.00 C ATOM 143 C GLY A 11 6.322 -5.135 -10.356 1.00 10.00 C ATOM 144 O GLY A 11 5.798 -4.042 -10.123 1.00 10.00 O ATOM 0 H GLY A 11 7.355 -4.105 -12.640 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.900 -6.129 -11.447 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.467 -5.168 -10.096 1.00 10.00 H new ATOM 148 N ASN A 12 5.674 -6.282 -10.133 1.00 10.00 N ATOM 149 CA ASN A 12 4.362 -6.249 -9.493 1.00 10.00 C ATOM 150 C ASN A 12 4.538 -5.933 -8.009 1.00 10.00 C ATOM 151 O ASN A 12 5.625 -6.137 -7.474 1.00 10.00 O ATOM 152 CB ASN A 12 3.522 -7.515 -9.665 1.00 10.00 C ATOM 153 CG ASN A 12 3.557 -8.176 -11.040 1.00 10.00 C ATOM 154 OD1 ASN A 12 4.056 -7.626 -12.015 1.00 10.00 O ATOM 155 ND2 ASN A 12 2.965 -9.356 -11.126 1.00 10.00 N ATOM 0 H ASN A 12 6.021 -7.210 -10.376 1.00 10.00 H new ATOM 0 HA ASN A 12 3.799 -5.468 -10.004 1.00 10.00 H new ATOM 0 HB2 ASN A 12 3.852 -8.246 -8.927 1.00 10.00 H new ATOM 0 HB3 ASN A 12 2.486 -7.271 -9.430 1.00 10.00 H new ATOM 0 HD21 ASN A 12 2.914 -9.837 -12.024 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.560 -9.785 -10.294 1.00 10.00 H new ATOM 162 N VAL A 13 3.494 -5.418 -7.358 1.00 10.00 N ATOM 163 CA VAL A 13 3.648 -4.804 -6.035 1.00 10.00 C ATOM 164 C VAL A 13 2.857 -5.453 -4.885 1.00 10.00 C ATOM 165 O VAL A 13 3.308 -5.389 -3.746 1.00 10.00 O ATOM 166 CB VAL A 13 3.486 -3.283 -6.159 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.139 -2.907 -6.765 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.609 -2.610 -4.799 1.00 10.00 C ATOM 0 H VAL A 13 2.540 -5.413 -7.720 1.00 10.00 H new ATOM 0 HA VAL A 13 4.665 -5.016 -5.704 1.00 10.00 H new ATOM 0 HB VAL A 13 4.283 -2.938 -6.818 1.00 10.00 H new ATOM 0 HG11 VAL A 13 2.062 -1.822 -6.836 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.053 -3.343 -7.760 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.337 -3.287 -6.132 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.491 -1.533 -4.914 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.835 -2.991 -4.133 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.590 -2.824 -4.375 1.00 10.00 H new ATOM 178 N THR A 14 1.715 -6.102 -5.148 1.00 10.00 N ATOM 179 CA THR A 14 1.010 -6.917 -4.148 1.00 10.00 C ATOM 180 C THR A 14 0.471 -6.105 -2.959 1.00 10.00 C ATOM 181 O THR A 14 1.148 -5.863 -1.966 1.00 10.00 O ATOM 182 CB THR A 14 1.849 -8.150 -3.763 1.00 10.00 C ATOM 183 OG1 THR A 14 1.805 -9.052 -4.854 1.00 10.00 O ATOM 184 CG2 THR A 14 1.314 -8.890 -2.537 1.00 10.00 C ATOM 0 H THR A 14 1.254 -6.077 -6.058 1.00 10.00 H new ATOM 0 HA THR A 14 0.100 -7.298 -4.612 1.00 10.00 H new ATOM 0 HB THR A 14 2.854 -7.802 -3.526 1.00 10.00 H new ATOM 0 HG1 THR A 14 0.894 -9.086 -5.214 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.952 -9.747 -2.322 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.309 -8.217 -1.679 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.299 -9.234 -2.734 1.00 10.00 H new ATOM 192 N PHE A 15 -0.796 -5.698 -3.070 1.00 10.00 N ATOM 193 CA PHE A 15 -1.538 -5.032 -2.002 1.00 10.00 C ATOM 194 C PHE A 15 -2.336 -6.062 -1.188 1.00 10.00 C ATOM 195 O PHE A 15 -3.428 -6.478 -1.597 1.00 10.00 O ATOM 196 CB PHE A 15 -2.504 -4.022 -2.621 1.00 10.00 C ATOM 197 CG PHE A 15 -1.914 -2.784 -3.254 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.176 -2.887 -4.450 1.00 10.00 C ATOM 199 CD2 PHE A 15 -2.439 -1.538 -2.873 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.016 -1.766 -5.278 1.00 10.00 C ATOM 201 CE2 PHE A 15 -2.367 -0.451 -3.755 1.00 10.00 C ATOM 202 CZ PHE A 15 -1.680 -0.573 -4.971 1.00 10.00 C ATOM 0 H PHE A 15 -1.343 -5.826 -3.921 1.00 10.00 H new ATOM 0 HA PHE A 15 -0.836 -4.524 -1.341 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.090 -4.540 -3.380 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.199 -3.703 -1.844 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.733 -3.831 -4.730 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -2.897 -1.418 -1.902 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.382 -1.824 -6.150 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -2.842 0.484 -3.497 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.663 0.251 -5.669 1.00 10.00 H new ATOM 212 N ASP A 16 -1.818 -6.460 -0.025 1.00 10.00 N ATOM 213 CA ASP A 16 -2.395 -7.522 0.789 1.00 10.00 C ATOM 214 C ASP A 16 -3.597 -7.001 1.589 1.00 10.00 C ATOM 215 O ASP A 16 -3.535 -6.832 2.809 1.00 10.00 O ATOM 216 CB ASP A 16 -1.319 -8.172 1.675 1.00 10.00 C ATOM 217 CG ASP A 16 0.086 -7.988 1.156 1.00 10.00 C ATOM 218 OD1 ASP A 16 0.510 -6.815 1.241 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.672 -8.985 0.690 1.00 10.00 O ATOM 0 H ASP A 16 -0.977 -6.048 0.379 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.775 -8.306 0.134 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.384 -7.751 2.678 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -1.528 -9.238 1.762 1.00 10.00 H new ATOM 224 N HIS A 17 -4.711 -6.778 0.885 1.00 10.00 N ATOM 225 CA HIS A 17 -6.015 -6.475 1.466 1.00 10.00 C ATOM 226 C HIS A 17 -6.320 -7.318 2.707 1.00 10.00 C ATOM 227 O HIS A 17 -6.896 -6.813 3.666 1.00 10.00 O ATOM 228 CB HIS A 17 -7.113 -6.620 0.397 1.00 10.00 C ATOM 229 CG HIS A 17 -7.558 -5.272 -0.084 1.00 10.00 C ATOM 230 ND1 HIS A 17 -6.820 -4.465 -0.914 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.394 -4.465 0.635 1.00 10.00 C ATOM 232 CE1 HIS A 17 -7.196 -3.199 -0.679 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.144 -3.139 0.275 1.00 10.00 N ATOM 0 H HIS A 17 -4.727 -6.805 -0.135 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.992 -5.440 1.808 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.737 -7.206 -0.442 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.962 -7.164 0.811 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -6.116 -4.771 -1.585 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -9.124 -4.796 1.359 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -6.790 -2.338 -1.190 1.00 10.00 H new ATOM 241 N LYS A 18 -5.901 -8.587 2.696 1.00 10.00 N ATOM 242 CA LYS A 18 -5.937 -9.454 3.858 1.00 10.00 C ATOM 243 C LYS A 18 -4.712 -9.249 4.768 1.00 10.00 C ATOM 244 O LYS A 18 -4.861 -8.782 5.892 1.00 10.00 O ATOM 245 CB LYS A 18 -6.107 -10.907 3.394 1.00 10.00 C ATOM 246 CG LYS A 18 -6.964 -11.671 4.404 1.00 10.00 C ATOM 247 CD LYS A 18 -7.034 -13.154 4.022 1.00 10.00 C ATOM 248 CE LYS A 18 -8.116 -13.896 4.816 1.00 10.00 C ATOM 249 NZ LYS A 18 -7.973 -13.674 6.270 1.00 10.00 N ATOM 0 H LYS A 18 -5.523 -9.039 1.863 1.00 10.00 H new ATOM 0 HA LYS A 18 -6.795 -9.193 4.478 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -6.576 -10.933 2.411 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.132 -11.384 3.295 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -6.543 -11.565 5.404 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -7.968 -11.248 4.434 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -7.239 -13.245 2.955 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -6.066 -13.622 4.202 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -9.101 -13.560 4.491 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -8.057 -14.963 4.603 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.196 -14.553 6.779 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -6.996 -13.389 6.483 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.627 -12.924 6.573 1.00 10.00 H new ATOM 263 N ALA A 19 -3.498 -9.598 4.324 1.00 10.00 N ATOM 264 CA ALA A 19 -2.347 -9.723 5.222 1.00 10.00 C ATOM 265 C ALA A 19 -1.984 -8.419 5.942 1.00 10.00 C ATOM 266 O ALA A 19 -1.714 -8.437 7.141 1.00 10.00 O ATOM 267 CB ALA A 19 -1.132 -10.281 4.482 1.00 10.00 C ATOM 0 H ALA A 19 -3.289 -9.799 3.346 1.00 10.00 H new ATOM 0 HA ALA A 19 -2.651 -10.427 5.996 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.292 -10.363 5.172 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.371 -11.266 4.082 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -0.865 -9.612 3.664 1.00 10.00 H new ATOM 273 N HIS A 20 -2.010 -7.277 5.239 1.00 10.00 N ATOM 274 CA HIS A 20 -1.815 -5.995 5.908 1.00 10.00 C ATOM 275 C HIS A 20 -2.922 -5.809 6.963 1.00 10.00 C ATOM 276 O HIS A 20 -2.647 -5.519 8.126 1.00 10.00 O ATOM 277 CB HIS A 20 -1.799 -4.826 4.903 1.00 10.00 C ATOM 278 CG HIS A 20 -0.471 -4.460 4.267 1.00 10.00 C ATOM 279 ND1 HIS A 20 0.065 -5.006 3.119 1.00 10.00 N ATOM 280 CD2 HIS A 20 0.288 -3.350 4.567 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.108 -4.246 2.758 1.00 10.00 C ATOM 282 NE2 HIS A 20 1.302 -3.223 3.606 1.00 10.00 N ATOM 0 H HIS A 20 -2.161 -7.220 4.232 1.00 10.00 H new ATOM 0 HA HIS A 20 -0.842 -5.995 6.400 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.500 -5.062 4.103 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.182 -3.941 5.412 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -0.272 -5.837 2.633 1.00 10.00 H new ATOM 0 HD2 HIS A 20 0.129 -2.687 5.404 1.00 10.00 H new ATOM 0 HE1 HIS A 20 1.720 -4.434 1.888 1.00 10.00 H new ATOM 290 N ALA A 21 -4.184 -6.013 6.571 1.00 10.00 N ATOM 291 CA ALA A 21 -5.338 -5.879 7.458 1.00 10.00 C ATOM 292 C ALA A 21 -5.291 -6.789 8.690 1.00 10.00 C ATOM 293 O ALA A 21 -5.716 -6.375 9.765 1.00 10.00 O ATOM 294 CB ALA A 21 -6.624 -6.137 6.686 1.00 10.00 C ATOM 0 H ALA A 21 -4.433 -6.279 5.618 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.308 -4.855 7.829 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.477 -6.035 7.356 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -6.712 -5.415 5.874 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -6.605 -7.146 6.274 1.00 10.00 H new ATOM 300 N GLU A 22 -4.778 -8.013 8.566 1.00 10.00 N ATOM 301 CA GLU A 22 -4.641 -8.916 9.704 1.00 10.00 C ATOM 302 C GLU A 22 -3.800 -8.314 10.852 1.00 10.00 C ATOM 303 O GLU A 22 -3.969 -8.715 12.001 1.00 10.00 O ATOM 304 CB GLU A 22 -4.150 -10.289 9.222 1.00 10.00 C ATOM 305 CG GLU A 22 -5.245 -11.025 8.439 1.00 10.00 C ATOM 306 CD GLU A 22 -4.888 -12.443 8.012 1.00 10.00 C ATOM 307 OE1 GLU A 22 -3.771 -12.895 8.331 1.00 10.00 O ATOM 308 OE2 GLU A 22 -5.767 -13.057 7.365 1.00 10.00 O ATOM 0 H GLU A 22 -4.449 -8.402 7.682 1.00 10.00 H new ATOM 0 HA GLU A 22 -5.624 -9.062 10.152 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.270 -10.163 8.591 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -3.845 -10.890 10.078 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -6.146 -11.062 9.051 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -5.488 -10.444 7.549 1.00 10.00 H new ATOM 315 N LYS A 23 -2.956 -7.308 10.573 1.00 10.00 N ATOM 316 CA LYS A 23 -2.452 -6.382 11.586 1.00 10.00 C ATOM 317 C LYS A 23 -3.304 -5.099 11.680 1.00 10.00 C ATOM 318 O LYS A 23 -3.735 -4.709 12.761 1.00 10.00 O ATOM 319 CB LYS A 23 -0.993 -6.025 11.264 1.00 10.00 C ATOM 320 CG LYS A 23 0.001 -7.091 11.748 1.00 10.00 C ATOM 321 CD LYS A 23 1.411 -6.481 11.788 1.00 10.00 C ATOM 322 CE LYS A 23 2.453 -7.418 12.415 1.00 10.00 C ATOM 323 NZ LYS A 23 2.970 -8.399 11.439 1.00 10.00 N ATOM 0 H LYS A 23 -2.606 -7.118 9.634 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.513 -6.878 12.555 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.884 -5.896 10.187 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.747 -5.069 11.726 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.283 -7.448 12.738 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.017 -7.953 11.081 1.00 10.00 H new ATOM 0 HD2 LYS A 23 1.721 -6.229 10.774 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.382 -5.549 12.353 1.00 10.00 H new ATOM 0 HE2 LYS A 23 3.280 -6.828 12.810 1.00 10.00 H new ATOM 0 HE3 LYS A 23 2.006 -7.945 13.258 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 2.690 -9.358 11.729 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 2.577 -8.193 10.498 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 4.007 -8.338 11.401 1.00 10.00 H new ATOM 337 N LEU A 24 -3.477 -4.395 10.558 1.00 10.00 N ATOM 338 CA LEU A 24 -3.898 -2.994 10.507 1.00 10.00 C ATOM 339 C LEU A 24 -5.416 -2.748 10.640 1.00 10.00 C ATOM 340 O LEU A 24 -5.837 -1.626 10.908 1.00 10.00 O ATOM 341 CB LEU A 24 -3.346 -2.377 9.214 1.00 10.00 C ATOM 342 CG LEU A 24 -1.814 -2.420 9.069 1.00 10.00 C ATOM 343 CD1 LEU A 24 -1.436 -1.727 7.757 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.097 -1.708 10.223 1.00 10.00 C ATOM 0 H LEU A 24 -3.323 -4.797 9.633 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.486 -2.508 11.391 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -3.790 -2.896 8.364 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -3.671 -1.338 9.158 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.503 -3.465 9.080 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.353 -1.746 7.634 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -1.905 -2.248 6.922 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -1.780 -0.693 7.779 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.019 -1.767 10.073 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.403 -0.662 10.251 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.359 -2.188 11.166 1.00 10.00 H new ATOM 356 N GLY A 25 -6.259 -3.763 10.446 1.00 10.00 N ATOM 357 CA GLY A 25 -7.697 -3.696 10.715 1.00 10.00 C ATOM 358 C GLY A 25 -8.489 -2.683 9.883 1.00 10.00 C ATOM 359 O GLY A 25 -9.341 -1.990 10.424 1.00 10.00 O ATOM 0 H GLY A 25 -5.957 -4.670 10.091 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.124 -4.685 10.550 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -7.839 -3.460 11.770 1.00 10.00 H new ATOM 363 N CYS A 26 -8.229 -2.638 8.570 1.00 10.00 N ATOM 364 CA CYS A 26 -8.893 -1.836 7.530 1.00 10.00 C ATOM 365 C CYS A 26 -8.817 -0.318 7.747 1.00 10.00 C ATOM 366 O CYS A 26 -8.273 0.392 6.903 1.00 10.00 O ATOM 367 CB CYS A 26 -10.327 -2.248 7.307 1.00 10.00 C ATOM 368 SG CYS A 26 -10.622 -4.040 7.199 1.00 10.00 S ATOM 0 H CYS A 26 -7.485 -3.211 8.172 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.316 -2.055 6.632 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -10.932 -1.847 8.120 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -10.681 -1.783 6.387 1.00 10.00 H new ATOM 373 N ASP A 27 -9.380 0.180 8.849 1.00 10.00 N ATOM 374 CA ASP A 27 -9.519 1.576 9.241 1.00 10.00 C ATOM 375 C ASP A 27 -8.201 2.337 9.073 1.00 10.00 C ATOM 376 O ASP A 27 -8.175 3.433 8.520 1.00 10.00 O ATOM 377 CB ASP A 27 -10.011 1.612 10.696 1.00 10.00 C ATOM 378 CG ASP A 27 -11.438 1.106 10.861 1.00 10.00 C ATOM 379 OD1 ASP A 27 -11.769 0.090 10.211 1.00 10.00 O ATOM 380 OD2 ASP A 27 -12.169 1.746 11.645 1.00 10.00 O ATOM 0 H ASP A 27 -9.785 -0.442 9.549 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.242 2.074 8.595 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -9.345 1.008 11.313 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.950 2.635 11.068 1.00 10.00 H new ATOM 385 N ALA A 28 -7.098 1.691 9.461 1.00 10.00 N ATOM 386 CA ALA A 28 -5.723 2.125 9.218 1.00 10.00 C ATOM 387 C ALA A 28 -5.451 2.704 7.818 1.00 10.00 C ATOM 388 O ALA A 28 -4.544 3.515 7.649 1.00 10.00 O ATOM 389 CB ALA A 28 -4.834 0.903 9.415 1.00 10.00 C ATOM 0 H ALA A 28 -7.143 0.812 9.976 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.519 2.941 9.911 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.793 1.179 9.244 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -4.948 0.531 10.433 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.124 0.124 8.709 1.00 10.00 H new ATOM 395 N CYS A 29 -6.190 2.235 6.810 1.00 10.00 N ATOM 396 CA CYS A 29 -6.053 2.597 5.402 1.00 10.00 C ATOM 397 C CYS A 29 -7.375 3.158 4.848 1.00 10.00 C ATOM 398 O CYS A 29 -7.488 3.450 3.661 1.00 10.00 O ATOM 399 CB CYS A 29 -5.645 1.337 4.681 1.00 10.00 C ATOM 400 SG CYS A 29 -4.464 1.646 3.332 1.00 10.00 S ATOM 0 H CYS A 29 -6.937 1.558 6.964 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.309 3.381 5.264 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -5.201 0.643 5.395 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.533 0.852 4.276 1.00 10.00 H new ATOM 405 N HIS A 30 -8.394 3.288 5.703 1.00 10.00 N ATOM 406 CA HIS A 30 -9.765 3.573 5.323 1.00 10.00 C ATOM 407 C HIS A 30 -10.520 4.303 6.434 1.00 10.00 C ATOM 408 O HIS A 30 -11.466 3.780 7.025 1.00 10.00 O ATOM 409 CB HIS A 30 -10.461 2.264 4.944 1.00 10.00 C ATOM 410 CG HIS A 30 -10.018 1.638 3.656 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.155 2.190 2.411 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.593 0.354 3.485 1.00 10.00 C ATOM 413 CE1 HIS A 30 -9.797 1.257 1.506 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.443 0.112 2.109 1.00 10.00 N ATOM 0 H HIS A 30 -8.274 3.193 6.711 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.761 4.241 4.462 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.304 1.545 5.748 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.534 2.448 4.886 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -10.471 3.138 2.205 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.403 -0.358 4.275 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -9.795 1.411 0.437 1.00 10.00 H new ATOM 422 N GLU A 31 -10.129 5.550 6.669 1.00 10.00 N ATOM 423 CA GLU A 31 -10.669 6.347 7.747 1.00 10.00 C ATOM 424 C GLU A 31 -12.125 6.794 7.512 1.00 10.00 C ATOM 425 O GLU A 31 -12.388 7.939 7.150 1.00 10.00 O ATOM 426 CB GLU A 31 -9.736 7.536 7.959 1.00 10.00 C ATOM 427 CG GLU A 31 -8.394 7.116 8.579 1.00 10.00 C ATOM 428 CD GLU A 31 -7.519 8.321 8.896 1.00 10.00 C ATOM 429 OE1 GLU A 31 -7.745 8.915 9.972 1.00 10.00 O ATOM 430 OE2 GLU A 31 -6.655 8.632 8.049 1.00 10.00 O ATOM 0 H GLU A 31 -9.425 6.033 6.111 1.00 10.00 H new ATOM 0 HA GLU A 31 -10.717 5.734 8.647 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -9.555 8.029 7.004 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -10.221 8.266 8.607 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -8.576 6.548 9.492 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -7.867 6.454 7.892 1.00 10.00 H new ATOM 437 N GLY A 32 -13.077 5.887 7.745 1.00 10.00 N ATOM 438 CA GLY A 32 -14.510 6.181 7.760 1.00 10.00 C ATOM 439 C GLY A 32 -15.320 5.150 6.976 1.00 10.00 C ATOM 440 O GLY A 32 -16.275 4.581 7.499 1.00 10.00 O ATOM 0 H GLY A 32 -12.867 4.907 7.932 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.862 6.209 8.791 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -14.680 7.171 7.338 1.00 10.00 H new ATOM 444 N THR A 33 -14.943 4.915 5.715 1.00 10.00 N ATOM 445 CA THR A 33 -15.542 3.883 4.868 1.00 10.00 C ATOM 446 C THR A 33 -14.469 3.218 3.993 1.00 10.00 C ATOM 447 O THR A 33 -13.521 3.883 3.567 1.00 10.00 O ATOM 448 CB THR A 33 -16.657 4.458 3.975 1.00 10.00 C ATOM 449 OG1 THR A 33 -16.156 5.487 3.154 1.00 10.00 O ATOM 450 CG2 THR A 33 -17.834 5.018 4.778 1.00 10.00 C ATOM 0 H THR A 33 -14.205 5.443 5.250 1.00 10.00 H new ATOM 0 HA THR A 33 -15.986 3.137 5.527 1.00 10.00 H new ATOM 0 HB THR A 33 -17.016 3.623 3.373 1.00 10.00 H new ATOM 0 HG1 THR A 33 -16.878 5.839 2.593 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.588 5.409 4.094 1.00 10.00 H new ATOM 0 HG22 THR A 33 -18.271 4.225 5.385 1.00 10.00 H new ATOM 0 HG23 THR A 33 -17.483 5.820 5.428 1.00 10.00 H new ATOM 458 N PRO A 34 -14.589 1.911 3.717 1.00 10.00 N ATOM 459 CA PRO A 34 -13.731 1.226 2.769 1.00 10.00 C ATOM 460 C PRO A 34 -14.207 1.499 1.335 1.00 10.00 C ATOM 461 O PRO A 34 -15.341 1.181 0.984 1.00 10.00 O ATOM 462 CB PRO A 34 -13.843 -0.247 3.140 1.00 10.00 C ATOM 463 CG PRO A 34 -15.250 -0.385 3.713 1.00 10.00 C ATOM 464 CD PRO A 34 -15.521 0.981 4.338 1.00 10.00 C ATOM 0 HA PRO A 34 -12.695 1.563 2.808 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.703 -0.888 2.270 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -13.086 -0.532 3.871 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.977 -0.622 2.936 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -15.304 -1.182 4.454 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.552 1.290 4.164 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.376 0.949 5.418 1.00 10.00 H new ATOM 472 N ALA A 35 -13.345 2.089 0.504 1.00 10.00 N ATOM 473 CA ALA A 35 -13.676 2.481 -0.864 1.00 10.00 C ATOM 474 C ALA A 35 -12.412 2.565 -1.729 1.00 10.00 C ATOM 475 O ALA A 35 -11.297 2.481 -1.212 1.00 10.00 O ATOM 476 CB ALA A 35 -14.419 3.822 -0.832 1.00 10.00 C ATOM 0 H ALA A 35 -12.385 2.310 0.768 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.322 1.727 -1.313 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.670 4.123 -1.849 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.333 3.717 -0.248 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -13.782 4.580 -0.376 1.00 10.00 H new ATOM 482 N LYS A 36 -12.579 2.722 -3.048 1.00 10.00 N ATOM 483 CA LYS A 36 -11.450 2.757 -3.973 1.00 10.00 C ATOM 484 C LYS A 36 -10.673 4.088 -3.899 1.00 10.00 C ATOM 485 O LYS A 36 -11.177 5.141 -4.289 1.00 10.00 O ATOM 486 CB LYS A 36 -11.874 2.317 -5.384 1.00 10.00 C ATOM 487 CG LYS A 36 -12.605 3.394 -6.192 1.00 10.00 C ATOM 488 CD LYS A 36 -11.618 4.119 -7.126 1.00 10.00 C ATOM 489 CE LYS A 36 -12.131 5.500 -7.553 1.00 10.00 C ATOM 490 NZ LYS A 36 -13.407 5.409 -8.291 1.00 10.00 N ATOM 0 H LYS A 36 -13.490 2.827 -3.495 1.00 10.00 H new ATOM 0 HA LYS A 36 -10.717 2.015 -3.656 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -10.987 2.006 -5.936 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.520 1.443 -5.300 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -13.404 2.940 -6.777 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.072 4.111 -5.517 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -10.658 4.230 -6.622 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -11.444 3.508 -8.012 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -12.266 6.126 -6.671 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -11.383 5.987 -8.179 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -13.686 6.355 -8.621 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -13.291 4.778 -9.109 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -14.145 5.030 -7.664 1.00 10.00 H new ATOM 504 N ILE A 37 -9.454 4.045 -3.357 1.00 10.00 N ATOM 505 CA ILE A 37 -8.599 5.211 -3.107 1.00 10.00 C ATOM 506 C ILE A 37 -7.936 5.785 -4.371 1.00 10.00 C ATOM 507 O ILE A 37 -7.538 6.946 -4.408 1.00 10.00 O ATOM 508 CB ILE A 37 -7.587 4.909 -1.973 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.270 4.176 -0.797 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.913 6.199 -1.474 1.00 10.00 C ATOM 511 CD1 ILE A 37 -7.379 3.990 0.438 1.00 10.00 C ATOM 0 H ILE A 37 -9.019 3.168 -3.070 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.253 6.015 -2.768 1.00 10.00 H new ATOM 0 HB ILE A 37 -6.819 4.256 -2.387 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.161 4.733 -0.506 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -8.604 3.197 -1.140 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.208 5.957 -0.679 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.381 6.674 -2.298 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.672 6.881 -1.091 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -7.938 3.467 1.214 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -6.500 3.405 0.168 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.066 4.965 0.811 1.00 10.00 H new ATOM 523 N ALA A 38 -7.853 4.964 -5.411 1.00 10.00 N ATOM 524 CA ALA A 38 -7.224 5.205 -6.702 1.00 10.00 C ATOM 525 C ALA A 38 -5.708 5.396 -6.647 1.00 10.00 C ATOM 526 O ALA A 38 -5.183 6.479 -6.377 1.00 10.00 O ATOM 527 CB ALA A 38 -7.929 6.307 -7.457 1.00 10.00 C ATOM 0 H ALA A 38 -8.261 4.030 -5.367 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.348 4.282 -7.268 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -7.436 6.464 -8.417 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.969 6.026 -7.625 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.892 7.228 -6.875 1.00 10.00 H new ATOM 533 N ILE A 39 -5.009 4.303 -6.933 1.00 10.00 N ATOM 534 CA ILE A 39 -3.563 4.182 -6.815 1.00 10.00 C ATOM 535 C ILE A 39 -2.868 4.075 -8.177 1.00 10.00 C ATOM 536 O ILE A 39 -3.212 3.237 -9.006 1.00 10.00 O ATOM 537 CB ILE A 39 -3.223 3.016 -5.883 1.00 10.00 C ATOM 538 CG1 ILE A 39 -3.926 3.179 -4.521 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.701 2.887 -5.735 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.492 4.385 -3.684 1.00 10.00 C ATOM 0 H ILE A 39 -5.452 3.446 -7.265 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.174 5.099 -6.373 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.594 2.090 -6.322 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.000 3.249 -4.694 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -3.756 2.275 -3.936 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.469 2.055 -5.070 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.254 2.706 -6.713 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.297 3.809 -5.317 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.051 4.399 -2.749 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.426 4.313 -3.468 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.689 5.303 -4.238 1.00 10.00 H new ATOM 552 N ASP A 40 -1.869 4.939 -8.370 1.00 10.00 N ATOM 553 CA ASP A 40 -1.040 5.076 -9.559 1.00 10.00 C ATOM 554 C ASP A 40 0.290 5.730 -9.108 1.00 10.00 C ATOM 555 O ASP A 40 0.512 5.885 -7.899 1.00 10.00 O ATOM 556 CB ASP A 40 -1.870 5.892 -10.572 1.00 10.00 C ATOM 557 CG ASP A 40 -1.205 6.068 -11.923 1.00 10.00 C ATOM 558 OD1 ASP A 40 -0.426 7.040 -12.015 1.00 10.00 O ATOM 559 OD2 ASP A 40 -1.435 5.234 -12.822 1.00 10.00 O ATOM 0 H ASP A 40 -1.603 5.606 -7.646 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.769 4.142 -10.051 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.833 5.401 -10.715 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.073 6.876 -10.149 1.00 10.00 H new ATOM 564 N LYS A 41 1.138 6.206 -10.030 1.00 10.00 N ATOM 565 CA LYS A 41 2.464 6.739 -9.723 1.00 10.00 C ATOM 566 C LYS A 41 2.425 8.096 -9.002 1.00 10.00 C ATOM 567 O LYS A 41 3.483 8.623 -8.657 1.00 10.00 O ATOM 568 CB LYS A 41 3.426 6.747 -10.939 1.00 10.00 C ATOM 569 CG LYS A 41 2.798 6.861 -12.338 1.00 10.00 C ATOM 570 CD LYS A 41 2.529 5.439 -12.845 1.00 10.00 C ATOM 571 CE LYS A 41 1.639 5.331 -14.081 1.00 10.00 C ATOM 572 NZ LYS A 41 1.331 3.907 -14.323 1.00 10.00 N ATOM 0 H LYS A 41 0.914 6.230 -11.025 1.00 10.00 H new ATOM 0 HA LYS A 41 2.887 6.030 -9.011 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.121 7.577 -10.813 1.00 10.00 H new ATOM 0 HB3 LYS A 41 4.015 5.831 -10.908 1.00 10.00 H new ATOM 0 HG2 LYS A 41 1.872 7.434 -12.296 1.00 10.00 H new ATOM 0 HG3 LYS A 41 3.468 7.389 -13.016 1.00 10.00 H new ATOM 0 HD2 LYS A 41 3.485 4.966 -13.067 1.00 10.00 H new ATOM 0 HD3 LYS A 41 2.070 4.867 -12.039 1.00 10.00 H new ATOM 0 HE2 LYS A 41 0.719 5.896 -13.934 1.00 10.00 H new ATOM 0 HE3 LYS A 41 2.142 5.761 -14.947 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 0.447 3.830 -14.865 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 2.106 3.471 -14.862 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 1.223 3.416 -13.413 1.00 10.00 H new ATOM 586 N LYS A 42 1.231 8.631 -8.726 1.00 10.00 N ATOM 587 CA LYS A 42 1.013 9.714 -7.784 1.00 10.00 C ATOM 588 C LYS A 42 0.810 9.118 -6.388 1.00 10.00 C ATOM 589 O LYS A 42 1.719 9.144 -5.561 1.00 10.00 O ATOM 590 CB LYS A 42 -0.205 10.536 -8.230 1.00 10.00 C ATOM 591 CG LYS A 42 0.081 11.310 -9.521 1.00 10.00 C ATOM 592 CD LYS A 42 -1.195 12.034 -9.966 1.00 10.00 C ATOM 593 CE LYS A 42 -0.905 12.932 -11.174 1.00 10.00 C ATOM 594 NZ LYS A 42 -2.134 13.589 -11.665 1.00 10.00 N ATOM 0 H LYS A 42 0.371 8.308 -9.169 1.00 10.00 H new ATOM 0 HA LYS A 42 1.875 10.381 -7.753 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -1.056 9.873 -8.383 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -0.483 11.234 -7.440 1.00 10.00 H new ATOM 0 HG2 LYS A 42 0.884 12.029 -9.358 1.00 10.00 H new ATOM 0 HG3 LYS A 42 0.418 10.628 -10.302 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -1.964 11.305 -10.223 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -1.586 12.634 -9.144 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -0.171 13.689 -10.898 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -0.464 12.337 -11.974 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -1.904 14.189 -12.482 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -2.824 12.865 -11.950 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -2.540 14.175 -10.908 1.00 10.00 H new ATOM 608 N SER A 43 -0.375 8.564 -6.118 1.00 10.00 N ATOM 609 CA SER A 43 -0.825 8.184 -4.787 1.00 10.00 C ATOM 610 C SER A 43 0.161 7.246 -4.084 1.00 10.00 C ATOM 611 O SER A 43 0.561 7.489 -2.944 1.00 10.00 O ATOM 612 CB SER A 43 -2.216 7.546 -4.901 1.00 10.00 C ATOM 613 OG SER A 43 -2.927 8.087 -6.005 1.00 10.00 O ATOM 0 H SER A 43 -1.063 8.364 -6.844 1.00 10.00 H new ATOM 0 HA SER A 43 -0.879 9.080 -4.168 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.118 6.467 -5.019 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.777 7.717 -3.982 1.00 10.00 H new ATOM 0 HG SER A 43 -3.729 7.550 -6.173 1.00 10.00 H new ATOM 619 N ALA A 44 0.583 6.196 -4.800 1.00 10.00 N ATOM 620 CA ALA A 44 1.586 5.236 -4.338 1.00 10.00 C ATOM 621 C ALA A 44 2.870 5.930 -3.876 1.00 10.00 C ATOM 622 O ALA A 44 3.474 5.562 -2.867 1.00 10.00 O ATOM 623 CB ALA A 44 1.926 4.281 -5.484 1.00 10.00 C ATOM 0 H ALA A 44 0.228 5.989 -5.734 1.00 10.00 H new ATOM 0 HA ALA A 44 1.168 4.696 -3.489 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.673 3.562 -5.149 1.00 10.00 H new ATOM 0 HB2 ALA A 44 1.026 3.751 -5.795 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.322 4.849 -6.326 1.00 10.00 H new ATOM 629 N HIS A 45 3.286 6.937 -4.647 1.00 10.00 N ATOM 630 CA HIS A 45 4.534 7.656 -4.466 1.00 10.00 C ATOM 631 C HIS A 45 4.364 8.969 -3.686 1.00 10.00 C ATOM 632 O HIS A 45 5.345 9.699 -3.516 1.00 10.00 O ATOM 633 CB HIS A 45 5.173 7.884 -5.832 1.00 10.00 C ATOM 634 CG HIS A 45 5.359 6.623 -6.640 1.00 10.00 C ATOM 635 ND1 HIS A 45 5.291 6.565 -8.005 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.735 5.382 -6.188 1.00 10.00 C ATOM 637 CE1 HIS A 45 5.648 5.321 -8.370 1.00 10.00 C ATOM 638 NE2 HIS A 45 5.932 4.552 -7.299 1.00 10.00 N ATOM 0 H HIS A 45 2.741 7.280 -5.438 1.00 10.00 H new ATOM 0 HA HIS A 45 5.195 7.046 -3.851 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.555 8.579 -6.400 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.143 8.361 -5.693 1.00 10.00 H new ATOM 0 HD1 HIS A 45 5.020 7.324 -8.630 1.00 10.00 H new ATOM 0 HD2 HIS A 45 5.858 5.095 -5.154 1.00 10.00 H new ATOM 0 HE1 HIS A 45 5.701 4.980 -9.393 1.00 10.00 H new ATOM 646 N LYS A 46 3.175 9.221 -3.122 1.00 10.00 N ATOM 647 CA LYS A 46 2.871 10.390 -2.301 1.00 10.00 C ATOM 648 C LYS A 46 2.363 9.967 -0.907 1.00 10.00 C ATOM 649 O LYS A 46 3.150 9.540 -0.059 1.00 10.00 O ATOM 650 CB LYS A 46 1.907 11.282 -3.105 1.00 10.00 C ATOM 651 CG LYS A 46 1.738 12.688 -2.516 1.00 10.00 C ATOM 652 CD LYS A 46 0.674 13.440 -3.331 1.00 10.00 C ATOM 653 CE LYS A 46 0.279 14.787 -2.710 1.00 10.00 C ATOM 654 NZ LYS A 46 -0.483 14.603 -1.457 1.00 10.00 N ATOM 0 H LYS A 46 2.377 8.595 -3.231 1.00 10.00 H new ATOM 0 HA LYS A 46 3.762 10.980 -2.086 1.00 10.00 H new ATOM 0 HB2 LYS A 46 2.272 11.367 -4.129 1.00 10.00 H new ATOM 0 HB3 LYS A 46 0.932 10.798 -3.154 1.00 10.00 H new ATOM 0 HG2 LYS A 46 1.438 12.626 -1.470 1.00 10.00 H new ATOM 0 HG3 LYS A 46 2.686 13.226 -2.545 1.00 10.00 H new ATOM 0 HD2 LYS A 46 1.050 13.609 -4.340 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -0.214 12.815 -3.422 1.00 10.00 H new ATOM 0 HE2 LYS A 46 1.176 15.373 -2.509 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -0.320 15.355 -3.421 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -0.962 15.492 -1.208 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -1.191 13.853 -1.588 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 0.168 14.334 -0.691 1.00 10.00 H new ATOM 668 N ASP A 47 1.062 10.098 -0.640 1.00 10.00 N ATOM 669 CA ASP A 47 0.509 9.958 0.701 1.00 10.00 C ATOM 670 C ASP A 47 0.251 8.492 1.093 1.00 10.00 C ATOM 671 O ASP A 47 0.471 8.102 2.235 1.00 10.00 O ATOM 672 CB ASP A 47 -0.781 10.785 0.788 1.00 10.00 C ATOM 673 CG ASP A 47 -0.693 12.108 0.058 1.00 10.00 C ATOM 674 OD1 ASP A 47 -0.016 13.042 0.539 1.00 10.00 O ATOM 675 OD2 ASP A 47 -1.239 12.188 -1.064 1.00 10.00 O ATOM 0 H ASP A 47 0.363 10.305 -1.353 1.00 10.00 H new ATOM 0 HA ASP A 47 1.245 10.330 1.414 1.00 10.00 H new ATOM 0 HB2 ASP A 47 -1.606 10.204 0.375 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -1.015 10.971 1.836 1.00 10.00 H new ATOM 680 N ALA A 48 -0.257 7.684 0.158 1.00 10.00 N ATOM 681 CA ALA A 48 -0.989 6.462 0.489 1.00 10.00 C ATOM 682 C ALA A 48 -0.190 5.436 1.305 1.00 10.00 C ATOM 683 O ALA A 48 -0.592 5.059 2.403 1.00 10.00 O ATOM 684 CB ALA A 48 -1.545 5.853 -0.804 1.00 10.00 C ATOM 0 H ALA A 48 -0.172 7.859 -0.843 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.804 6.746 1.155 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.093 4.940 -0.570 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.215 6.566 -1.283 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.722 5.619 -1.479 1.00 10.00 H new ATOM 690 N CYS A 49 0.917 4.942 0.744 1.00 10.00 N ATOM 691 CA CYS A 49 1.597 3.748 1.252 1.00 10.00 C ATOM 692 C CYS A 49 2.942 4.074 1.891 1.00 10.00 C ATOM 693 O CYS A 49 3.141 3.884 3.092 1.00 10.00 O ATOM 694 CB CYS A 49 1.711 2.740 0.139 1.00 10.00 C ATOM 695 SG CYS A 49 0.017 2.246 -0.288 1.00 10.00 S ATOM 0 H CYS A 49 1.366 5.357 -0.073 1.00 10.00 H new ATOM 0 HA CYS A 49 1.002 3.315 2.056 1.00 10.00 H new ATOM 0 HB2 CYS A 49 2.218 3.171 -0.724 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.298 1.878 0.456 1.00 10.00 H new ATOM 700 N LYS A 50 3.866 4.603 1.088 1.00 10.00 N ATOM 701 CA LYS A 50 5.192 5.000 1.534 1.00 10.00 C ATOM 702 C LYS A 50 5.159 5.811 2.839 1.00 10.00 C ATOM 703 O LYS A 50 5.969 5.586 3.730 1.00 10.00 O ATOM 704 CB LYS A 50 5.897 5.757 0.409 1.00 10.00 C ATOM 705 CG LYS A 50 5.237 7.114 0.154 1.00 10.00 C ATOM 706 CD LYS A 50 5.795 7.763 -1.100 1.00 10.00 C ATOM 707 CE LYS A 50 7.148 8.441 -0.900 1.00 10.00 C ATOM 708 NZ LYS A 50 7.538 9.177 -2.125 1.00 10.00 N ATOM 0 H LYS A 50 3.706 4.768 0.094 1.00 10.00 H new ATOM 0 HA LYS A 50 5.759 4.099 1.767 1.00 10.00 H new ATOM 0 HB2 LYS A 50 6.946 5.903 0.667 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.874 5.161 -0.504 1.00 10.00 H new ATOM 0 HG2 LYS A 50 4.159 6.985 0.052 1.00 10.00 H new ATOM 0 HG3 LYS A 50 5.400 7.769 1.010 1.00 10.00 H new ATOM 0 HD2 LYS A 50 5.892 7.004 -1.877 1.00 10.00 H new ATOM 0 HD3 LYS A 50 5.080 8.502 -1.463 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.097 9.128 -0.055 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.905 7.695 -0.659 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 8.370 8.723 -2.553 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 6.750 9.165 -2.803 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 7.769 10.161 -1.880 1.00 10.00 H new ATOM 722 N THR A 51 4.219 6.753 2.960 1.00 10.00 N ATOM 723 CA THR A 51 4.151 7.665 4.099 1.00 10.00 C ATOM 724 C THR A 51 3.627 6.973 5.366 1.00 10.00 C ATOM 725 O THR A 51 4.031 7.353 6.463 1.00 10.00 O ATOM 726 CB THR A 51 3.401 8.947 3.711 1.00 10.00 C ATOM 727 OG1 THR A 51 4.048 9.516 2.583 1.00 10.00 O ATOM 728 CG2 THR A 51 3.431 9.994 4.825 1.00 10.00 C ATOM 0 H THR A 51 3.484 6.903 2.269 1.00 10.00 H new ATOM 0 HA THR A 51 5.161 7.974 4.367 1.00 10.00 H new ATOM 0 HB THR A 51 2.364 8.678 3.510 1.00 10.00 H new ATOM 0 HG1 THR A 51 3.492 9.385 1.787 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.888 10.883 4.504 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.962 9.586 5.721 1.00 10.00 H new ATOM 0 HG23 THR A 51 4.465 10.261 5.046 1.00 10.00 H new ATOM 736 N CYS A 52 2.824 5.904 5.242 1.00 10.00 N ATOM 737 CA CYS A 52 2.654 4.973 6.364 1.00 10.00 C ATOM 738 C CYS A 52 3.977 4.251 6.633 1.00 10.00 C ATOM 739 O CYS A 52 4.508 4.309 7.740 1.00 10.00 O ATOM 740 CB CYS A 52 1.542 3.984 6.110 1.00 10.00 C ATOM 741 SG CYS A 52 1.470 2.801 7.495 1.00 10.00 S ATOM 0 H CYS A 52 2.297 5.669 4.401 1.00 10.00 H new ATOM 0 HA CYS A 52 2.370 5.547 7.246 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.590 4.506 6.011 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.715 3.456 5.172 1.00 10.00 H new ATOM 746 N HIS A 53 4.537 3.608 5.604 1.00 10.00 N ATOM 747 CA HIS A 53 5.771 2.838 5.710 1.00 10.00 C ATOM 748 C HIS A 53 6.886 3.562 6.492 1.00 10.00 C ATOM 749 O HIS A 53 7.527 2.961 7.353 1.00 10.00 O ATOM 750 CB HIS A 53 6.239 2.451 4.301 1.00 10.00 C ATOM 751 CG HIS A 53 5.652 1.181 3.760 1.00 10.00 C ATOM 752 ND1 HIS A 53 6.377 0.149 3.232 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.359 0.756 3.866 1.00 10.00 C ATOM 754 CE1 HIS A 53 5.542 -0.889 3.057 1.00 10.00 C ATOM 755 NE2 HIS A 53 4.289 -0.582 3.433 1.00 10.00 N ATOM 0 H HIS A 53 4.138 3.610 4.665 1.00 10.00 H new ATOM 0 HA HIS A 53 5.553 1.942 6.292 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.995 3.265 3.618 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.325 2.356 4.309 1.00 10.00 H new ATOM 0 HD1 HIS A 53 7.373 0.164 3.011 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.529 1.347 4.222 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.840 -1.849 2.664 1.00 10.00 H new ATOM 763 N LYS A 54 7.114 4.847 6.197 1.00 10.00 N ATOM 764 CA LYS A 54 8.011 5.726 6.950 1.00 10.00 C ATOM 765 C LYS A 54 7.895 5.581 8.475 1.00 10.00 C ATOM 766 O LYS A 54 8.907 5.579 9.171 1.00 10.00 O ATOM 767 CB LYS A 54 7.745 7.171 6.570 1.00 10.00 C ATOM 768 CG LYS A 54 8.198 7.459 5.143 1.00 10.00 C ATOM 769 CD LYS A 54 8.608 8.928 5.118 1.00 10.00 C ATOM 770 CE LYS A 54 8.803 9.467 3.697 1.00 10.00 C ATOM 771 NZ LYS A 54 9.110 10.913 3.724 1.00 10.00 N ATOM 0 H LYS A 54 6.668 5.314 5.408 1.00 10.00 H new ATOM 0 HA LYS A 54 9.024 5.424 6.683 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.681 7.385 6.666 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.267 7.833 7.261 1.00 10.00 H new ATOM 0 HG2 LYS A 54 9.032 6.817 4.862 1.00 10.00 H new ATOM 0 HG3 LYS A 54 7.394 7.267 4.433 1.00 10.00 H new ATOM 0 HD2 LYS A 54 7.847 9.521 5.625 1.00 10.00 H new ATOM 0 HD3 LYS A 54 9.535 9.051 5.679 1.00 10.00 H new ATOM 0 HE2 LYS A 54 9.613 8.927 3.206 1.00 10.00 H new ATOM 0 HE3 LYS A 54 7.902 9.292 3.110 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 9.239 11.259 2.752 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 8.325 11.426 4.173 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 9.983 11.072 4.266 1.00 10.00 H new ATOM 785 N SER A 55 6.667 5.482 8.992 1.00 10.00 N ATOM 786 CA SER A 55 6.416 5.273 10.416 1.00 10.00 C ATOM 787 C SER A 55 7.027 3.948 10.894 1.00 10.00 C ATOM 788 O SER A 55 7.677 3.897 11.937 1.00 10.00 O ATOM 789 CB SER A 55 4.907 5.318 10.676 1.00 10.00 C ATOM 790 OG SER A 55 4.667 5.324 12.070 1.00 10.00 O ATOM 0 H SER A 55 5.818 5.545 8.431 1.00 10.00 H new ATOM 0 HA SER A 55 6.895 6.070 10.985 1.00 10.00 H new ATOM 0 HB2 SER A 55 4.475 6.208 10.218 1.00 10.00 H new ATOM 0 HB3 SER A 55 4.423 4.456 10.217 1.00 10.00 H new ATOM 0 HG SER A 55 3.702 5.354 12.236 1.00 10.00 H new ATOM 796 N ASN A 56 6.847 2.886 10.100 1.00 10.00 N ATOM 797 CA ASN A 56 7.429 1.560 10.266 1.00 10.00 C ATOM 798 C ASN A 56 6.962 0.618 9.147 1.00 10.00 C ATOM 799 O ASN A 56 5.808 0.666 8.727 1.00 10.00 O ATOM 800 CB ASN A 56 7.113 0.960 11.649 1.00 10.00 C ATOM 801 CG ASN A 56 8.408 0.662 12.386 1.00 10.00 C ATOM 802 OD1 ASN A 56 8.778 -0.486 12.588 1.00 10.00 O ATOM 803 ND2 ASN A 56 9.142 1.703 12.740 1.00 10.00 N ATOM 0 H ASN A 56 6.252 2.939 9.273 1.00 10.00 H new ATOM 0 HA ASN A 56 8.511 1.671 10.200 1.00 10.00 H new ATOM 0 HB2 ASN A 56 6.506 1.656 12.228 1.00 10.00 H new ATOM 0 HB3 ASN A 56 6.530 0.046 11.535 1.00 10.00 H new ATOM 0 HD21 ASN A 56 10.044 1.560 13.195 1.00 10.00 H new ATOM 0 HD22 ASN A 56 8.807 2.649 12.558 1.00 10.00 H new ATOM 810 N ASN A 57 7.867 -0.242 8.670 1.00 10.00 N ATOM 811 CA ASN A 57 7.569 -1.288 7.689 1.00 10.00 C ATOM 812 C ASN A 57 8.722 -2.287 7.556 1.00 10.00 C ATOM 813 O ASN A 57 8.509 -3.493 7.611 1.00 10.00 O ATOM 814 CB ASN A 57 7.197 -0.706 6.310 1.00 10.00 C ATOM 815 CG ASN A 57 8.350 -0.032 5.562 1.00 10.00 C ATOM 816 OD1 ASN A 57 8.690 -0.422 4.451 1.00 10.00 O ATOM 817 ND2 ASN A 57 8.972 0.994 6.119 1.00 10.00 N ATOM 0 H ASN A 57 8.845 -0.230 8.961 1.00 10.00 H new ATOM 0 HA ASN A 57 6.698 -1.823 8.068 1.00 10.00 H new ATOM 0 HB2 ASN A 57 6.800 -1.509 5.688 1.00 10.00 H new ATOM 0 HB3 ASN A 57 6.395 0.021 6.443 1.00 10.00 H new ATOM 0 HD21 ASN A 57 9.733 1.459 5.624 1.00 10.00 H new ATOM 0 HD22 ASN A 57 8.691 1.320 7.044 1.00 10.00 H new ATOM 824 N GLY A 58 9.932 -1.769 7.320 1.00 10.00 N ATOM 825 CA GLY A 58 11.102 -2.554 6.929 1.00 10.00 C ATOM 826 C GLY A 58 11.604 -2.186 5.524 1.00 10.00 C ATOM 827 O GLY A 58 12.627 -1.510 5.411 1.00 10.00 O ATOM 0 H GLY A 58 10.127 -0.771 7.398 1.00 10.00 H new ATOM 0 HA2 GLY A 58 11.902 -2.395 7.652 1.00 10.00 H new ATOM 0 HA3 GLY A 58 10.852 -3.615 6.958 1.00 10.00 H new ATOM 831 N PRO A 59 10.920 -2.611 4.445 1.00 10.00 N ATOM 832 CA PRO A 59 11.387 -2.433 3.069 1.00 10.00 C ATOM 833 C PRO A 59 11.226 -0.989 2.551 1.00 10.00 C ATOM 834 O PRO A 59 10.571 -0.729 1.541 1.00 10.00 O ATOM 835 CB PRO A 59 10.593 -3.468 2.261 1.00 10.00 C ATOM 836 CG PRO A 59 9.275 -3.565 3.019 1.00 10.00 C ATOM 837 CD PRO A 59 9.726 -3.447 4.470 1.00 10.00 C ATOM 0 HA PRO A 59 12.462 -2.593 2.980 1.00 10.00 H new ATOM 0 HB2 PRO A 59 10.442 -3.145 1.231 1.00 10.00 H new ATOM 0 HB3 PRO A 59 11.107 -4.429 2.222 1.00 10.00 H new ATOM 0 HG2 PRO A 59 8.586 -2.767 2.741 1.00 10.00 H new ATOM 0 HG3 PRO A 59 8.764 -4.509 2.827 1.00 10.00 H new ATOM 0 HD2 PRO A 59 8.947 -2.999 5.087 1.00 10.00 H new ATOM 0 HD3 PRO A 59 9.943 -4.428 4.893 1.00 10.00 H new ATOM 845 N THR A 60 11.888 -0.029 3.202 1.00 10.00 N ATOM 846 CA THR A 60 11.874 1.384 2.819 1.00 10.00 C ATOM 847 C THR A 60 12.776 1.640 1.598 1.00 10.00 C ATOM 848 O THR A 60 13.819 2.283 1.703 1.00 10.00 O ATOM 849 CB THR A 60 12.272 2.245 4.033 1.00 10.00 C ATOM 850 OG1 THR A 60 11.459 1.910 5.143 1.00 10.00 O ATOM 851 CG2 THR A 60 12.072 3.745 3.789 1.00 10.00 C ATOM 0 H THR A 60 12.460 -0.216 4.026 1.00 10.00 H new ATOM 0 HA THR A 60 10.866 1.667 2.516 1.00 10.00 H new ATOM 0 HB THR A 60 13.328 2.044 4.212 1.00 10.00 H new ATOM 0 HG1 THR A 60 11.715 2.458 5.914 1.00 10.00 H new ATOM 0 HG21 THR A 60 12.369 4.301 4.678 1.00 10.00 H new ATOM 0 HG22 THR A 60 12.683 4.061 2.943 1.00 10.00 H new ATOM 0 HG23 THR A 60 11.022 3.942 3.572 1.00 10.00 H new ATOM 859 N LYS A 61 12.375 1.146 0.422 1.00 10.00 N ATOM 860 CA LYS A 61 13.071 1.381 -0.848 1.00 10.00 C ATOM 861 C LYS A 61 12.134 1.104 -2.034 1.00 10.00 C ATOM 862 O LYS A 61 11.154 0.378 -1.879 1.00 10.00 O ATOM 863 CB LYS A 61 14.334 0.497 -0.922 1.00 10.00 C ATOM 864 CG LYS A 61 15.576 1.311 -1.308 1.00 10.00 C ATOM 865 CD LYS A 61 16.804 0.394 -1.405 1.00 10.00 C ATOM 866 CE LYS A 61 18.061 1.217 -1.726 1.00 10.00 C ATOM 867 NZ LYS A 61 19.264 0.362 -1.833 1.00 10.00 N ATOM 0 H LYS A 61 11.544 0.562 0.324 1.00 10.00 H new ATOM 0 HA LYS A 61 13.375 2.426 -0.901 1.00 10.00 H new ATOM 0 HB2 LYS A 61 14.499 0.017 0.043 1.00 10.00 H new ATOM 0 HB3 LYS A 61 14.179 -0.298 -1.651 1.00 10.00 H new ATOM 0 HG2 LYS A 61 15.410 1.810 -2.263 1.00 10.00 H new ATOM 0 HG3 LYS A 61 15.753 2.091 -0.567 1.00 10.00 H new ATOM 0 HD2 LYS A 61 16.942 -0.141 -0.465 1.00 10.00 H new ATOM 0 HD3 LYS A 61 16.645 -0.357 -2.179 1.00 10.00 H new ATOM 0 HE2 LYS A 61 17.914 1.756 -2.662 1.00 10.00 H new ATOM 0 HE3 LYS A 61 18.214 1.965 -0.948 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 20.092 0.953 -2.050 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 19.419 -0.133 -0.932 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 19.128 -0.336 -2.592 1.00 10.00 H new ATOM 881 N CYS A 62 12.434 1.634 -3.231 1.00 10.00 N ATOM 882 CA CYS A 62 11.654 1.342 -4.442 1.00 10.00 C ATOM 883 C CYS A 62 11.459 -0.175 -4.601 1.00 10.00 C ATOM 884 O CYS A 62 10.342 -0.696 -4.596 1.00 10.00 O ATOM 885 CB CYS A 62 12.324 1.886 -5.686 1.00 10.00 C ATOM 886 SG CYS A 62 12.993 3.577 -5.566 1.00 10.00 S ATOM 0 H CYS A 62 13.216 2.270 -3.385 1.00 10.00 H new ATOM 0 HA CYS A 62 10.687 1.832 -4.327 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.138 1.214 -5.958 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.603 1.860 -6.503 1.00 10.00 H new ATOM 891 N GLY A 63 12.567 -0.914 -4.673 1.00 10.00 N ATOM 892 CA GLY A 63 12.565 -2.370 -4.773 1.00 10.00 C ATOM 893 C GLY A 63 12.104 -3.096 -3.502 1.00 10.00 C ATOM 894 O GLY A 63 12.240 -4.314 -3.409 1.00 10.00 O ATOM 0 H GLY A 63 13.503 -0.510 -4.663 1.00 10.00 H new ATOM 0 HA2 GLY A 63 11.917 -2.664 -5.599 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.572 -2.706 -5.023 1.00 10.00 H new ATOM 898 N GLY A 64 11.571 -2.359 -2.522 1.00 10.00 N ATOM 899 CA GLY A 64 10.867 -2.889 -1.370 1.00 10.00 C ATOM 900 C GLY A 64 9.369 -3.078 -1.642 1.00 10.00 C ATOM 901 O GLY A 64 8.725 -3.869 -0.957 1.00 10.00 O ATOM 0 H GLY A 64 11.625 -1.340 -2.518 1.00 10.00 H new ATOM 0 HA2 GLY A 64 11.306 -3.845 -1.086 1.00 10.00 H new ATOM 0 HA3 GLY A 64 10.999 -2.214 -0.524 1.00 10.00 H new ATOM 905 N CYS A 65 8.813 -2.363 -2.634 1.00 10.00 N ATOM 906 CA CYS A 65 7.406 -2.510 -3.022 1.00 10.00 C ATOM 907 C CYS A 65 7.277 -3.410 -4.259 1.00 10.00 C ATOM 908 O CYS A 65 6.778 -4.526 -4.179 1.00 10.00 O ATOM 909 CB CYS A 65 6.784 -1.149 -3.221 1.00 10.00 C ATOM 910 SG CYS A 65 6.614 -0.287 -1.627 1.00 10.00 S ATOM 0 H CYS A 65 9.324 -1.673 -3.184 1.00 10.00 H new ATOM 0 HA CYS A 65 6.855 -3.004 -2.222 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.400 -0.557 -3.898 1.00 10.00 H new ATOM 0 HB3 CYS A 65 5.806 -1.255 -3.690 1.00 10.00 H new ATOM 915 N HIS A 66 7.738 -2.926 -5.410 1.00 10.00 N ATOM 916 CA HIS A 66 7.777 -3.680 -6.664 1.00 10.00 C ATOM 917 C HIS A 66 8.803 -4.832 -6.569 1.00 10.00 C ATOM 918 O HIS A 66 9.941 -4.599 -6.161 1.00 10.00 O ATOM 919 CB HIS A 66 8.082 -2.745 -7.860 1.00 10.00 C ATOM 920 CG HIS A 66 8.039 -1.275 -7.584 1.00 10.00 C ATOM 921 ND1 HIS A 66 8.970 -0.643 -6.818 1.00 10.00 N ATOM 922 CD2 HIS A 66 7.078 -0.354 -7.911 1.00 10.00 C ATOM 923 CE1 HIS A 66 8.571 0.619 -6.655 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.439 0.873 -7.316 1.00 10.00 N ATOM 0 H HIS A 66 8.103 -1.978 -5.500 1.00 10.00 H new ATOM 0 HA HIS A 66 6.795 -4.120 -6.836 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.072 -2.992 -8.243 1.00 10.00 H new ATOM 0 HB3 HIS A 66 7.369 -2.964 -8.655 1.00 10.00 H new ATOM 0 HD1 HIS A 66 9.820 -1.060 -6.437 1.00 10.00 H new ATOM 0 HD2 HIS A 66 6.202 -0.535 -8.516 1.00 10.00 H new ATOM 0 HE1 HIS A 66 9.100 1.348 -6.060 1.00 10.00 H new ATOM 932 N ILE A 67 8.419 -6.052 -6.967 1.00 10.00 N ATOM 933 CA ILE A 67 9.297 -7.229 -6.972 1.00 10.00 C ATOM 934 C ILE A 67 10.632 -6.969 -7.687 1.00 10.00 C ATOM 935 O ILE A 67 10.664 -6.380 -8.766 1.00 10.00 O ATOM 936 CB ILE A 67 8.569 -8.429 -7.616 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.376 -8.912 -6.776 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.508 -9.612 -7.913 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.751 -9.629 -5.473 1.00 10.00 C ATOM 0 H ILE A 67 7.476 -6.252 -7.299 1.00 10.00 H new ATOM 0 HA ILE A 67 9.534 -7.458 -5.933 1.00 10.00 H new ATOM 0 HB ILE A 67 8.192 -8.052 -8.567 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.750 -8.053 -6.534 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.772 -9.586 -7.383 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.938 -10.424 -8.365 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.291 -9.292 -8.601 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.961 -9.959 -6.984 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.844 -9.932 -4.950 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.349 -10.511 -5.702 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.327 -8.955 -4.839 1.00 10.00 H new ATOM 951 N LYS A 68 11.723 -7.459 -7.091 1.00 10.00 N ATOM 952 CA LYS A 68 13.078 -7.442 -7.626 1.00 10.00 C ATOM 953 C LYS A 68 13.938 -8.415 -6.822 1.00 10.00 C ATOM 954 O LYS A 68 13.459 -8.908 -5.777 1.00 10.00 O ATOM 955 CB LYS A 68 13.665 -6.029 -7.602 1.00 10.00 C ATOM 956 CG LYS A 68 13.813 -5.493 -6.177 1.00 10.00 C ATOM 957 CD LYS A 68 15.170 -5.773 -5.488 1.00 10.00 C ATOM 958 CE LYS A 68 15.114 -6.764 -4.305 1.00 10.00 C ATOM 959 NZ LYS A 68 15.829 -8.031 -4.584 1.00 10.00 N ATOM 960 OXT LYS A 68 15.152 -8.533 -7.105 1.00 10.00 O ATOM 0 H LYS A 68 11.677 -7.901 -6.173 1.00 10.00 H new ATOM 0 HA LYS A 68 13.059 -7.757 -8.669 1.00 10.00 H new ATOM 0 HB2 LYS A 68 14.639 -6.033 -8.091 1.00 10.00 H new ATOM 0 HB3 LYS A 68 13.023 -5.360 -8.176 1.00 10.00 H new ATOM 0 HG2 LYS A 68 13.653 -4.415 -6.196 1.00 10.00 H new ATOM 0 HG3 LYS A 68 13.021 -5.922 -5.564 1.00 10.00 H new ATOM 0 HD2 LYS A 68 15.865 -6.160 -6.233 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.580 -4.828 -5.131 1.00 10.00 H new ATOM 0 HE2 LYS A 68 15.548 -6.294 -3.422 1.00 10.00 H new ATOM 0 HE3 LYS A 68 14.073 -6.984 -4.070 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 15.260 -8.833 -4.244 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 15.982 -8.125 -5.608 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 16.747 -8.026 -4.096 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -8.865 -1.549 1.179 1.00 10.00 FE HETATM 976 CHA HEC A 130 -9.681 -0.710 -1.922 1.00 10.00 C HETATM 977 CHB HEC A 130 -11.881 -2.565 1.832 1.00 10.00 C HETATM 978 CHC HEC A 130 -7.676 -3.116 3.838 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.109 0.211 0.934 1.00 10.00 C HETATM 980 NA HEC A 130 -10.448 -1.587 0.186 1.00 10.00 N HETATM 981 C1A HEC A 130 -10.604 -1.229 -1.100 1.00 10.00 C HETATM 982 C2A HEC A 130 -11.987 -1.415 -1.491 1.00 10.00 C HETATM 983 C3A HEC A 130 -12.632 -1.877 -0.381 1.00 10.00 C HETATM 984 C4A HEC A 130 -11.617 -2.025 0.635 1.00 10.00 C HETATM 985 CMA HEC A 130 -14.113 -2.203 -0.274 1.00 10.00 C HETATM 986 CAA HEC A 130 -12.628 -1.160 -2.844 1.00 10.00 C HETATM 987 CBA HEC A 130 -12.729 -2.442 -3.692 1.00 10.00 C HETATM 988 CGA HEC A 130 -11.387 -3.188 -3.828 1.00 10.00 C HETATM 989 O1A HEC A 130 -10.442 -2.559 -4.355 1.00 10.00 O HETATM 990 O2A HEC A 130 -11.317 -4.352 -3.371 1.00 10.00 O HETATM 991 NB HEC A 130 -9.627 -2.568 2.587 1.00 10.00 N HETATM 992 C1B HEC A 130 -10.911 -2.841 2.704 1.00 10.00 C HETATM 993 C2B HEC A 130 -11.164 -3.596 3.907 1.00 10.00 C HETATM 994 C3B HEC A 130 -9.940 -3.797 4.486 1.00 10.00 C HETATM 995 C4B HEC A 130 -8.990 -3.142 3.609 1.00 10.00 C HETATM 996 CMB HEC A 130 -12.509 -4.133 4.370 1.00 10.00 C HETATM 997 CAB HEC A 130 -9.640 -4.566 5.768 1.00 10.00 C HETATM 998 CBB HEC A 130 -9.801 -6.081 5.603 1.00 10.00 C HETATM 999 NC HEC A 130 -7.233 -1.511 2.133 1.00 10.00 N HETATM 1000 C1C HEC A 130 -6.901 -2.268 3.172 1.00 10.00 C HETATM 1001 C2C HEC A 130 -5.539 -2.003 3.574 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.152 -0.923 2.838 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.221 -0.687 1.900 1.00 10.00 C HETATM 1004 CMC HEC A 130 -4.718 -2.688 4.650 1.00 10.00 C HETATM 1005 CAC HEC A 130 -3.921 -0.067 3.050 1.00 10.00 C HETATM 1006 CBC HEC A 130 -2.886 -0.169 1.923 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.060 -0.466 -0.210 1.00 10.00 N HETATM 1008 C1D HEC A 130 -6.931 0.202 -0.087 1.00 10.00 C HETATM 1009 C2D HEC A 130 -6.585 0.850 -1.324 1.00 10.00 C HETATM 1010 C3D HEC A 130 -7.576 0.523 -2.201 1.00 10.00 C HETATM 1011 C4D HEC A 130 -8.510 -0.293 -1.451 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.285 1.558 -1.653 1.00 10.00 C HETATM 1013 CAD HEC A 130 -7.795 1.212 -3.527 1.00 10.00 C HETATM 1014 CBD HEC A 130 -7.109 0.657 -4.782 1.00 10.00 C HETATM 1015 CGD HEC A 130 -7.222 1.713 -5.908 1.00 10.00 C HETATM 1016 O1D HEC A 130 -8.277 2.398 -5.929 1.00 10.00 O HETATM 1017 O2D HEC A 130 -6.237 1.913 -6.664 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -5.134 2.383 -0.957 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -4.456 0.855 -1.568 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.329 1.945 -2.671 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -5.210 -2.568 5.615 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -4.627 -3.749 4.418 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -3.725 -2.240 4.691 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -13.204 -3.304 4.507 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -12.905 -4.818 3.620 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -12.384 -4.662 5.315 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -14.699 -1.309 -0.488 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -14.367 -2.983 -0.992 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -14.337 -2.551 0.734 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -6.062 0.434 -4.575 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -7.579 -0.277 -5.090 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -2.547 -1.201 1.833 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -3.339 0.148 0.983 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -2.036 0.474 2.151 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -10.826 -6.308 5.311 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -9.117 -6.438 4.833 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -9.575 -6.576 6.547 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -13.464 -3.110 -3.243 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -13.096 -2.185 -4.685 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -8.868 1.223 -3.718 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.481 2.250 -3.413 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -13.625 -0.743 -2.699 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -12.046 -0.414 -3.385 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.325 0.966 0.988 1.00 10.00 H new HETATM 0 HHC HEC A 130 -7.238 -3.792 4.573 1.00 10.00 H new HETATM 0 HHB HEC A 130 -12.915 -2.784 2.100 1.00 10.00 H new HETATM 0 HHA HEC A 130 -9.893 -0.629 -2.988 1.00 10.00 H new HETATM 0 H2D HEC A 130 -6.091 1.124 -7.227 1.00 10.00 H new HETATM 0 H2A HEC A 130 -10.499 -4.783 -3.696 1.00 10.00 H new HETATM 1050 FE HEC A 153 2.777 -1.903 3.467 1.00 10.00 FE HETATM 1051 CHA HEC A 153 4.599 -4.348 4.799 1.00 10.00 C HETATM 1052 CHB HEC A 153 3.645 -2.864 0.431 1.00 10.00 C HETATM 1053 CHC HEC A 153 0.594 0.236 2.239 1.00 10.00 C HETATM 1054 CHD HEC A 153 2.270 -0.623 6.529 1.00 10.00 C HETATM 1055 NA HEC A 153 3.888 -3.299 2.764 1.00 10.00 N HETATM 1056 C1A HEC A 153 4.528 -4.239 3.474 1.00 10.00 C HETATM 1057 C2A HEC A 153 5.277 -5.102 2.590 1.00 10.00 C HETATM 1058 C3A HEC A 153 4.977 -4.692 1.324 1.00 10.00 C HETATM 1059 C4A HEC A 153 4.124 -3.537 1.474 1.00 10.00 C HETATM 1060 CMA HEC A 153 5.414 -5.364 0.036 1.00 10.00 C HETATM 1061 CAA HEC A 153 6.329 -6.126 2.969 1.00 10.00 C HETATM 1062 CBA HEC A 153 5.775 -7.525 3.286 1.00 10.00 C HETATM 1063 CGA HEC A 153 6.876 -8.546 3.645 1.00 10.00 C HETATM 1064 O1A HEC A 153 8.006 -8.096 3.948 1.00 10.00 O HETATM 1065 O2A HEC A 153 6.574 -9.759 3.612 1.00 10.00 O HETATM 1066 NB HEC A 153 2.256 -1.391 1.707 1.00 10.00 N HETATM 1067 C1B HEC A 153 2.744 -1.879 0.572 1.00 10.00 C HETATM 1068 C2B HEC A 153 2.121 -1.228 -0.563 1.00 10.00 C HETATM 1069 C3B HEC A 153 1.198 -0.351 -0.050 1.00 10.00 C HETATM 1070 C4B HEC A 153 1.325 -0.489 1.393 1.00 10.00 C HETATM 1071 CMB HEC A 153 2.367 -1.535 -2.025 1.00 10.00 C HETATM 1072 CAB HEC A 153 0.174 0.513 -0.821 1.00 10.00 C HETATM 1073 CBB HEC A 153 0.311 0.647 -2.339 1.00 10.00 C HETATM 1074 NC HEC A 153 1.623 -0.517 4.237 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.778 0.236 3.553 1.00 10.00 C HETATM 1076 C2C HEC A 153 0.088 1.162 4.430 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.586 0.924 5.681 1.00 10.00 C HETATM 1078 C4C HEC A 153 1.564 -0.132 5.513 1.00 10.00 C HETATM 1079 CMC HEC A 153 -0.919 2.241 4.056 1.00 10.00 C HETATM 1080 CAC HEC A 153 0.200 1.606 6.994 1.00 10.00 C HETATM 1081 CBC HEC A 153 -1.192 2.249 7.099 1.00 10.00 C HETATM 1082 ND HEC A 153 3.347 -2.361 5.267 1.00 10.00 N HETATM 1083 C1D HEC A 153 3.054 -1.694 6.385 1.00 10.00 C HETATM 1084 C2D HEC A 153 3.671 -2.333 7.524 1.00 10.00 C HETATM 1085 C3D HEC A 153 4.245 -3.475 7.041 1.00 10.00 C HETATM 1086 C4D HEC A 153 4.076 -3.425 5.608 1.00 10.00 C HETATM 1087 CMD HEC A 153 3.597 -1.897 8.977 1.00 10.00 C HETATM 1088 CAD HEC A 153 4.744 -4.649 7.861 1.00 10.00 C HETATM 1089 CBD HEC A 153 3.725 -5.805 7.835 1.00 10.00 C HETATM 1090 CGD HEC A 153 3.812 -6.793 9.010 1.00 10.00 C HETATM 1091 O1D HEC A 153 4.256 -6.434 10.123 1.00 10.00 O HETATM 1092 O2D HEC A 153 3.293 -7.927 8.924 1.00 10.00 O HETATM 0 HMD3 HEC A 153 4.011 -0.894 9.077 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 2.557 -1.895 9.304 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 4.170 -2.589 9.594 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -0.453 2.953 3.375 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -1.779 1.783 3.568 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.247 2.761 4.956 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 3.419 -1.373 -2.259 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 2.107 -2.574 -2.227 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 1.753 -0.880 -2.643 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 6.503 -5.383 -0.013 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 5.032 -6.385 0.010 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 5.021 -4.808 -0.816 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 2.721 -5.381 7.814 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 3.856 -6.360 6.906 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -1.292 3.025 6.340 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -1.957 1.488 6.943 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -1.315 2.690 8.088 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 1.278 1.089 -2.579 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 0.238 -0.338 -2.799 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -0.485 1.285 -2.721 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 5.072 -7.451 4.116 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 5.215 -7.891 2.425 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 5.701 -4.993 7.468 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 4.917 -4.333 8.890 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 7.046 -6.210 2.153 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 6.876 -5.761 3.838 1.00 10.00 H new HETATM 0 HHD HEC A 153 2.206 -0.138 7.503 1.00 10.00 H new HETATM 0 HHC HEC A 153 -0.198 0.863 1.829 1.00 10.00 H new HETATM 0 HHB HEC A 153 3.995 -3.120 -0.569 1.00 10.00 H new HETATM 0 HHA HEC A 153 5.098 -5.214 5.234 1.00 10.00 H new HETATM 0 H2D HEC A 153 3.961 -8.610 9.143 1.00 10.00 H new HETATM 0 H2A HEC A 153 7.391 -10.300 3.619 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.670 2.705 -7.335 1.00 10.00 FE HETATM 1126 CHA HEC A 166 4.446 2.117 -9.699 1.00 10.00 C HETATM 1127 CHB HEC A 166 9.026 3.309 -9.515 1.00 10.00 C HETATM 1128 CHC HEC A 166 8.630 3.806 -4.851 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.628 1.367 -5.065 1.00 10.00 C HETATM 1130 NA HEC A 166 6.733 2.687 -9.194 1.00 10.00 N HETATM 1131 C1A HEC A 166 5.703 2.446 -10.021 1.00 10.00 C HETATM 1132 C2A HEC A 166 6.123 2.677 -11.387 1.00 10.00 C HETATM 1133 C3A HEC A 166 7.467 2.915 -11.332 1.00 10.00 C HETATM 1134 C4A HEC A 166 7.804 2.959 -9.931 1.00 10.00 C HETATM 1135 CMA HEC A 166 8.380 3.224 -12.505 1.00 10.00 C HETATM 1136 CAA HEC A 166 5.253 2.858 -12.617 1.00 10.00 C HETATM 1137 CBA HEC A 166 5.308 1.718 -13.645 1.00 10.00 C HETATM 1138 CGA HEC A 166 4.678 2.114 -14.996 1.00 10.00 C HETATM 1139 O1A HEC A 166 3.651 2.836 -14.976 1.00 10.00 O HETATM 1140 O2A HEC A 166 5.244 1.698 -16.030 1.00 10.00 O HETATM 1141 NB HEC A 166 8.439 3.450 -7.206 1.00 10.00 N HETATM 1142 C1B HEC A 166 9.271 3.579 -8.231 1.00 10.00 C HETATM 1143 C2B HEC A 166 10.541 4.104 -7.785 1.00 10.00 C HETATM 1144 C3B HEC A 166 10.422 4.290 -6.433 1.00 10.00 C HETATM 1145 C4B HEC A 166 9.067 3.886 -6.111 1.00 10.00 C HETATM 1146 CMB HEC A 166 11.760 4.363 -8.652 1.00 10.00 C HETATM 1147 CAB HEC A 166 11.533 4.653 -5.445 1.00 10.00 C HETATM 1148 CBB HEC A 166 11.984 6.114 -5.558 1.00 10.00 C HETATM 1149 NC HEC A 166 6.663 2.574 -5.374 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.564 3.073 -4.544 1.00 10.00 C HETATM 1151 C2C HEC A 166 7.311 2.641 -3.189 1.00 10.00 C HETATM 1152 C3C HEC A 166 6.178 1.880 -3.248 1.00 10.00 C HETATM 1153 C4C HEC A 166 5.771 1.904 -4.640 1.00 10.00 C HETATM 1154 CMC HEC A 166 8.214 2.838 -1.980 1.00 10.00 C HETATM 1155 CAC HEC A 166 5.545 1.105 -2.098 1.00 10.00 C HETATM 1156 CBC HEC A 166 5.214 1.944 -0.859 1.00 10.00 C HETATM 1157 ND HEC A 166 4.867 1.961 -7.369 1.00 10.00 N HETATM 1158 C1D HEC A 166 4.213 1.486 -6.324 1.00 10.00 C HETATM 1159 C2D HEC A 166 2.869 1.125 -6.691 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.759 1.339 -8.034 1.00 10.00 C HETATM 1161 C4D HEC A 166 4.063 1.855 -8.445 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.741 0.717 -5.754 1.00 10.00 C HETATM 1163 CAD HEC A 166 1.457 1.029 -8.778 1.00 10.00 C HETATM 1164 CBD HEC A 166 1.394 0.953 -10.311 1.00 10.00 C HETATM 1165 CGD HEC A 166 1.379 2.327 -11.004 1.00 10.00 C HETATM 1166 O1D HEC A 166 1.646 3.324 -10.298 1.00 10.00 O HETATM 1167 O2D HEC A 166 1.187 2.375 -12.240 1.00 10.00 O HETATM 0 HMD3 HEC A 166 2.033 -0.174 -5.199 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 1.537 1.528 -5.055 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 0.844 0.504 -6.335 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 9.173 2.352 -2.159 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 8.373 3.904 -1.814 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 7.744 2.400 -1.100 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 12.082 3.430 -9.115 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 11.508 5.085 -9.428 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 12.567 4.760 -8.036 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 8.357 2.395 -13.212 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 8.040 4.133 -13.001 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 9.399 3.366 -12.145 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 2.251 0.384 -10.672 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 0.500 0.401 -10.601 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 6.128 2.392 -0.468 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 4.511 2.731 -1.130 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 4.768 1.306 -0.096 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 12.362 6.301 -6.563 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 11.138 6.772 -5.360 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 12.773 6.308 -4.832 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 6.346 1.425 -13.803 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 4.788 0.847 -13.246 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 1.100 0.071 -8.401 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 0.732 1.783 -8.471 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 4.219 2.981 -12.293 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 5.545 3.784 -13.113 1.00 10.00 H new HETATM 0 HHD HEC A 166 4.012 0.812 -4.358 1.00 10.00 H new HETATM 0 HHC HEC A 166 9.154 4.349 -4.064 1.00 10.00 H new HETATM 0 HHB HEC A 166 9.838 3.375 -10.239 1.00 10.00 H new HETATM 0 HHA HEC A 166 3.702 2.060 -10.494 1.00 10.00 H new HETATM 0 H2D HEC A 166 0.229 2.288 -12.426 1.00 10.00 H new HETATM 0 H2A HEC A 166 4.646 1.811 -16.798 1.00 10.00 H new