USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=21 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 8 ASN : amide:sc= 0.217 K(o=-0.91,f=-3.5!) USER MOD Set 1.2: A 166 HEC O2A : rot 97:sc= -1.13 USER MOD Set 2.1: A 56 ASN : amide:sc= 0.304 X(o=0.022,f=0.43) USER MOD Set 2.2: A 153 HEC O2D : rot -165:sc= -0.282! USER MOD Set 3.1: A 5 THR OG1 : rot -72:sc= 0.889 USER MOD Set 3.2: A 14 THR OG1 : rot 180:sc= 0.785 USER MOD Single : A 1 ALA N :NH3+ -168:sc= 1.21 (180deg=1.14) USER MOD Single : A 6 TYR OH : rot 13:sc= 1.29 USER MOD Single : A 12 ASN : amide:sc= -0.566 K(o=-0.57,f=-5.6!) USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= 1.18 (180deg=0.897) USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= 0.862 (180deg=0.72) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= 1.07 (180deg=0.644) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 168:sc= 1.33 USER MOD Single : A 46 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0135) USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= 1.75 (180deg=1.16) USER MOD Single : A 51 THR OG1 : rot 177:sc= 1.01 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 57 ASN : amide:sc= -0.0419 X(o=-0.042,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= 0.851 (180deg=0.647) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HEC O2A : rot -140:sc= -0.121 USER MOD Single : A 130 HEC O2D : rot 179:sc= 0 USER MOD Single : A 153 HEC O2A : rot 167:sc= 0 USER MOD Single : A 166 HEC O2D : rot 179:sc= -0.256 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.577 -12.033 -4.304 1.00 10.00 N ATOM 2 CA ALA A 1 -8.654 -11.542 -3.414 1.00 10.00 C ATOM 3 C ALA A 1 -8.073 -11.049 -2.083 1.00 10.00 C ATOM 4 O ALA A 1 -7.844 -9.853 -1.931 1.00 10.00 O ATOM 5 CB ALA A 1 -9.745 -12.604 -3.231 1.00 10.00 C ATOM 0 H1 ALA A 1 -7.955 -12.171 -5.263 1.00 10.00 H new ATOM 0 H2 ALA A 1 -6.806 -11.336 -4.332 1.00 10.00 H new ATOM 0 H3 ALA A 1 -7.213 -12.938 -3.942 1.00 10.00 H new ATOM 0 HA ALA A 1 -9.135 -10.685 -3.885 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -10.523 -12.217 -2.573 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -10.179 -12.851 -4.200 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -9.310 -13.501 -2.790 1.00 10.00 H new ATOM 13 N ASP A 2 -7.746 -11.972 -1.174 1.00 10.00 N ATOM 14 CA ASP A 2 -6.924 -11.751 0.011 1.00 10.00 C ATOM 15 C ASP A 2 -5.722 -10.843 -0.315 1.00 10.00 C ATOM 16 O ASP A 2 -5.510 -9.802 0.308 1.00 10.00 O ATOM 17 CB ASP A 2 -6.490 -13.141 0.518 1.00 10.00 C ATOM 18 CG ASP A 2 -7.671 -14.073 0.748 1.00 10.00 C ATOM 19 OD1 ASP A 2 -8.320 -14.390 -0.274 1.00 10.00 O ATOM 20 OD2 ASP A 2 -7.911 -14.426 1.927 1.00 10.00 O ATOM 0 H ASP A 2 -8.064 -12.938 -1.251 1.00 10.00 H new ATOM 0 HA ASP A 2 -7.482 -11.231 0.790 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -5.811 -13.592 -0.205 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -5.934 -13.027 1.449 1.00 10.00 H new ATOM 25 N VAL A 3 -4.978 -11.227 -1.354 1.00 10.00 N ATOM 26 CA VAL A 3 -4.002 -10.387 -2.038 1.00 10.00 C ATOM 27 C VAL A 3 -4.597 -9.859 -3.356 1.00 10.00 C ATOM 28 O VAL A 3 -5.319 -10.585 -4.051 1.00 10.00 O ATOM 29 CB VAL A 3 -2.715 -11.197 -2.276 1.00 10.00 C ATOM 30 CG1 VAL A 3 -1.668 -10.365 -3.024 1.00 10.00 C ATOM 31 CG2 VAL A 3 -2.113 -11.659 -0.941 1.00 10.00 C ATOM 0 H VAL A 3 -5.043 -12.163 -1.753 1.00 10.00 H new ATOM 0 HA VAL A 3 -3.752 -9.523 -1.422 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.985 -12.063 -2.880 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -0.770 -10.963 -3.178 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.069 -10.058 -3.990 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.419 -9.481 -2.437 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.204 -12.230 -1.130 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -1.875 -10.789 -0.329 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -2.833 -12.286 -0.415 1.00 10.00 H new ATOM 41 N VAL A 4 -4.293 -8.601 -3.694 1.00 10.00 N ATOM 42 CA VAL A 4 -4.553 -7.976 -4.993 1.00 10.00 C ATOM 43 C VAL A 4 -3.221 -7.524 -5.629 1.00 10.00 C ATOM 44 O VAL A 4 -2.559 -6.624 -5.119 1.00 10.00 O ATOM 45 CB VAL A 4 -5.537 -6.804 -4.812 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.799 -6.084 -6.142 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.873 -7.295 -4.238 1.00 10.00 C ATOM 0 H VAL A 4 -3.839 -7.964 -3.040 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.013 -8.694 -5.672 1.00 10.00 H new ATOM 0 HB VAL A 4 -5.076 -6.105 -4.114 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.497 -5.263 -5.980 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.861 -5.691 -6.534 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.225 -6.786 -6.858 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.551 -6.450 -4.119 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.316 -8.022 -4.918 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.703 -7.762 -3.268 1.00 10.00 H new ATOM 57 N THR A 5 -2.811 -8.155 -6.734 1.00 10.00 N ATOM 58 CA THR A 5 -1.517 -7.927 -7.393 1.00 10.00 C ATOM 59 C THR A 5 -1.675 -7.099 -8.679 1.00 10.00 C ATOM 60 O THR A 5 -2.511 -7.416 -9.518 1.00 10.00 O ATOM 61 CB THR A 5 -0.844 -9.287 -7.636 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.498 -9.850 -6.390 1.00 10.00 O ATOM 63 CG2 THR A 5 0.456 -9.194 -8.421 1.00 10.00 C ATOM 0 H THR A 5 -3.382 -8.855 -7.208 1.00 10.00 H new ATOM 0 HA THR A 5 -0.871 -7.333 -6.746 1.00 10.00 H new ATOM 0 HB THR A 5 -1.561 -9.879 -8.205 1.00 10.00 H new ATOM 0 HG1 THR A 5 0.264 -9.363 -6.011 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.873 -10.192 -8.554 1.00 10.00 H new ATOM 0 HG22 THR A 5 0.261 -8.750 -9.397 1.00 10.00 H new ATOM 0 HG23 THR A 5 1.167 -8.573 -7.876 1.00 10.00 H new ATOM 71 N TYR A 6 -0.894 -6.014 -8.807 1.00 10.00 N ATOM 72 CA TYR A 6 -1.118 -4.951 -9.800 1.00 10.00 C ATOM 73 C TYR A 6 -0.554 -5.200 -11.208 1.00 10.00 C ATOM 74 O TYR A 6 -1.236 -4.924 -12.190 1.00 10.00 O ATOM 75 CB TYR A 6 -0.649 -3.599 -9.224 1.00 10.00 C ATOM 76 CG TYR A 6 -1.817 -2.675 -8.942 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.858 -3.125 -8.106 1.00 10.00 C ATOM 78 CD2 TYR A 6 -1.926 -1.425 -9.575 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.992 -2.322 -7.896 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.011 -0.583 -9.282 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.057 -1.039 -8.465 1.00 10.00 C ATOM 82 OH TYR A 6 -5.081 -0.198 -8.169 1.00 10.00 O ATOM 0 H TYR A 6 -0.079 -5.848 -8.216 1.00 10.00 H new ATOM 0 HA TYR A 6 -2.194 -4.941 -9.973 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -0.090 -3.770 -8.304 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.032 -3.120 -9.927 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.784 -4.089 -7.625 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.176 -1.112 -10.286 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.812 -2.691 -7.298 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.041 0.418 -9.686 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.576 -0.544 -7.397 1.00 10.00 H new ATOM 92 N GLU A 7 0.690 -5.677 -11.302 1.00 10.00 N ATOM 93 CA GLU A 7 1.329 -6.072 -12.561 1.00 10.00 C ATOM 94 C GLU A 7 1.621 -4.894 -13.510 1.00 10.00 C ATOM 95 O GLU A 7 0.872 -4.618 -14.442 1.00 10.00 O ATOM 96 CB GLU A 7 0.551 -7.215 -13.234 1.00 10.00 C ATOM 97 CG GLU A 7 0.179 -8.304 -12.219 1.00 10.00 C ATOM 98 CD GLU A 7 0.229 -9.713 -12.800 1.00 10.00 C ATOM 99 OE1 GLU A 7 1.370 -10.196 -12.989 1.00 10.00 O ATOM 100 OE2 GLU A 7 -0.858 -10.289 -13.007 1.00 10.00 O ATOM 0 H GLU A 7 1.293 -5.802 -10.489 1.00 10.00 H new ATOM 0 HA GLU A 7 2.317 -6.454 -12.305 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -0.354 -6.820 -13.696 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.154 -7.648 -14.032 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.858 -8.245 -11.368 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.824 -8.110 -11.840 1.00 10.00 H new ATOM 107 N ASN A 8 2.752 -4.219 -13.279 1.00 10.00 N ATOM 108 CA ASN A 8 3.235 -3.078 -14.048 1.00 10.00 C ATOM 109 C ASN A 8 4.675 -3.344 -14.511 1.00 10.00 C ATOM 110 O ASN A 8 5.323 -4.280 -14.041 1.00 10.00 O ATOM 111 CB ASN A 8 3.124 -1.831 -13.164 1.00 10.00 C ATOM 112 CG ASN A 8 3.985 -1.990 -11.920 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.164 -1.671 -11.910 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.437 -2.582 -10.869 1.00 10.00 N ATOM 0 H ASN A 8 3.381 -4.468 -12.515 1.00 10.00 H new ATOM 0 HA ASN A 8 2.638 -2.919 -14.946 1.00 10.00 H new ATOM 0 HB2 ASN A 8 3.440 -0.950 -13.724 1.00 10.00 H new ATOM 0 HB3 ASN A 8 2.085 -1.671 -12.878 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.001 -2.775 -10.041 1.00 10.00 H new ATOM 0 HD22 ASN A 8 2.451 -2.844 -10.888 1.00 10.00 H new ATOM 121 N ALA A 9 5.191 -2.518 -15.420 1.00 10.00 N ATOM 122 CA ALA A 9 6.505 -2.715 -16.027 1.00 10.00 C ATOM 123 C ALA A 9 7.632 -2.576 -14.997 1.00 10.00 C ATOM 124 O ALA A 9 8.666 -3.233 -15.112 1.00 10.00 O ATOM 125 CB ALA A 9 6.675 -1.728 -17.184 1.00 10.00 C ATOM 0 H ALA A 9 4.705 -1.687 -15.758 1.00 10.00 H new ATOM 0 HA ALA A 9 6.567 -3.732 -16.414 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.654 -1.869 -17.642 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.898 -1.902 -17.928 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.595 -0.708 -16.807 1.00 10.00 H new ATOM 131 N ALA A 10 7.419 -1.759 -13.963 1.00 10.00 N ATOM 132 CA ALA A 10 8.350 -1.603 -12.851 1.00 10.00 C ATOM 133 C ALA A 10 8.295 -2.769 -11.848 1.00 10.00 C ATOM 134 O ALA A 10 9.095 -2.789 -10.914 1.00 10.00 O ATOM 135 CB ALA A 10 8.122 -0.247 -12.174 1.00 10.00 C ATOM 0 H ALA A 10 6.583 -1.181 -13.877 1.00 10.00 H new ATOM 0 HA ALA A 10 9.361 -1.628 -13.258 1.00 10.00 H new ATOM 0 HB1 ALA A 10 8.819 -0.133 -11.344 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.285 0.552 -12.897 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.100 -0.195 -11.799 1.00 10.00 H new ATOM 141 N GLY A 11 7.389 -3.741 -12.031 1.00 10.00 N ATOM 142 CA GLY A 11 7.275 -4.936 -11.196 1.00 10.00 C ATOM 143 C GLY A 11 5.965 -4.974 -10.403 1.00 10.00 C ATOM 144 O GLY A 11 5.527 -3.975 -9.833 1.00 10.00 O ATOM 0 H GLY A 11 6.701 -3.713 -12.783 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.341 -5.823 -11.826 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.116 -4.973 -10.504 1.00 10.00 H new ATOM 148 N ASN A 12 5.325 -6.143 -10.325 1.00 10.00 N ATOM 149 CA ASN A 12 4.117 -6.317 -9.525 1.00 10.00 C ATOM 150 C ASN A 12 4.401 -5.952 -8.066 1.00 10.00 C ATOM 151 O ASN A 12 5.511 -6.156 -7.584 1.00 10.00 O ATOM 152 CB ASN A 12 3.535 -7.733 -9.593 1.00 10.00 C ATOM 153 CG ASN A 12 3.630 -8.481 -10.923 1.00 10.00 C ATOM 154 OD1 ASN A 12 4.244 -8.035 -11.885 1.00 10.00 O ATOM 155 ND2 ASN A 12 2.982 -9.632 -10.979 1.00 10.00 N ATOM 0 H ASN A 12 5.628 -6.987 -10.811 1.00 10.00 H new ATOM 0 HA ASN A 12 3.369 -5.648 -9.951 1.00 10.00 H new ATOM 0 HB2 ASN A 12 4.033 -8.336 -8.834 1.00 10.00 H new ATOM 0 HB3 ASN A 12 2.482 -7.676 -9.316 1.00 10.00 H new ATOM 0 HD21 ASN A 12 2.984 -10.177 -11.841 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.480 -9.975 -10.160 1.00 10.00 H new ATOM 162 N VAL A 13 3.408 -5.387 -7.381 1.00 10.00 N ATOM 163 CA VAL A 13 3.609 -4.763 -6.076 1.00 10.00 C ATOM 164 C VAL A 13 2.888 -5.469 -4.915 1.00 10.00 C ATOM 165 O VAL A 13 3.372 -5.441 -3.787 1.00 10.00 O ATOM 166 CB VAL A 13 3.343 -3.254 -6.185 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.049 -2.927 -6.937 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.306 -2.617 -4.800 1.00 10.00 C ATOM 0 H VAL A 13 2.445 -5.349 -7.714 1.00 10.00 H new ATOM 0 HA VAL A 13 4.654 -4.892 -5.795 1.00 10.00 H new ATOM 0 HB VAL A 13 4.168 -2.838 -6.764 1.00 10.00 H new ATOM 0 HG11 VAL A 13 1.917 -1.846 -6.981 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.106 -3.327 -7.949 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.203 -3.375 -6.417 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.117 -1.548 -4.896 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.512 -3.075 -4.210 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.263 -2.773 -4.302 1.00 10.00 H new ATOM 178 N THR A 14 1.751 -6.124 -5.174 1.00 10.00 N ATOM 179 CA THR A 14 1.021 -6.900 -4.165 1.00 10.00 C ATOM 180 C THR A 14 0.454 -6.027 -3.033 1.00 10.00 C ATOM 181 O THR A 14 1.104 -5.707 -2.042 1.00 10.00 O ATOM 182 CB THR A 14 1.827 -8.143 -3.721 1.00 10.00 C ATOM 183 OG1 THR A 14 1.418 -9.221 -4.539 1.00 10.00 O ATOM 184 CG2 THR A 14 1.636 -8.589 -2.269 1.00 10.00 C ATOM 0 H THR A 14 1.309 -6.131 -6.093 1.00 10.00 H new ATOM 0 HA THR A 14 0.122 -7.305 -4.629 1.00 10.00 H new ATOM 0 HB THR A 14 2.876 -7.862 -3.814 1.00 10.00 H new ATOM 0 HG1 THR A 14 1.911 -10.029 -4.286 1.00 10.00 H new ATOM 0 HG21 THR A 14 2.250 -9.468 -2.075 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.934 -7.783 -1.599 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.588 -8.834 -2.099 1.00 10.00 H new ATOM 192 N PHE A 15 -0.812 -5.644 -3.195 1.00 10.00 N ATOM 193 CA PHE A 15 -1.619 -5.054 -2.138 1.00 10.00 C ATOM 194 C PHE A 15 -2.209 -6.202 -1.310 1.00 10.00 C ATOM 195 O PHE A 15 -3.126 -6.879 -1.780 1.00 10.00 O ATOM 196 CB PHE A 15 -2.783 -4.254 -2.747 1.00 10.00 C ATOM 197 CG PHE A 15 -2.509 -3.018 -3.584 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.247 -2.747 -4.147 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.622 -2.257 -3.985 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.114 -1.759 -5.135 1.00 10.00 C ATOM 201 CE2 PHE A 15 -3.488 -1.266 -4.968 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.236 -1.032 -5.557 1.00 10.00 C ATOM 0 H PHE A 15 -1.310 -5.738 -4.080 1.00 10.00 H new ATOM 0 HA PHE A 15 -1.005 -4.391 -1.529 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.358 -4.942 -3.367 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.430 -3.949 -1.924 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.380 -3.300 -3.818 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -4.586 -2.437 -3.533 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.146 -1.559 -5.571 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -4.346 -0.684 -5.271 1.00 10.00 H new ATOM 0 HZ PHE A 15 -2.137 -0.291 -6.336 1.00 10.00 H new ATOM 212 N ASP A 16 -1.743 -6.419 -0.079 1.00 10.00 N ATOM 213 CA ASP A 16 -2.438 -7.347 0.796 1.00 10.00 C ATOM 214 C ASP A 16 -3.730 -6.669 1.264 1.00 10.00 C ATOM 215 O ASP A 16 -3.683 -5.688 2.002 1.00 10.00 O ATOM 216 CB ASP A 16 -1.573 -7.724 1.995 1.00 10.00 C ATOM 217 CG ASP A 16 -0.175 -8.197 1.661 1.00 10.00 C ATOM 218 OD1 ASP A 16 -0.033 -8.965 0.688 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.715 -7.779 2.434 1.00 10.00 O ATOM 0 H ASP A 16 -0.914 -5.978 0.320 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.661 -8.268 0.257 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.498 -6.859 2.654 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -2.080 -8.509 2.555 1.00 10.00 H new ATOM 224 N HIS A 17 -4.888 -7.174 0.848 1.00 10.00 N ATOM 225 CA HIS A 17 -6.148 -6.706 1.409 1.00 10.00 C ATOM 226 C HIS A 17 -6.390 -7.377 2.766 1.00 10.00 C ATOM 227 O HIS A 17 -6.863 -6.750 3.709 1.00 10.00 O ATOM 228 CB HIS A 17 -7.288 -6.934 0.405 1.00 10.00 C ATOM 229 CG HIS A 17 -8.116 -5.690 0.170 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.479 -5.196 -1.058 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.371 -4.707 1.092 1.00 10.00 C ATOM 232 CE1 HIS A 17 -8.927 -3.941 -0.873 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.857 -3.578 0.422 1.00 10.00 N ATOM 0 H HIS A 17 -4.979 -7.897 0.134 1.00 10.00 H new ATOM 0 HA HIS A 17 -6.107 -5.632 1.591 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.870 -7.272 -0.543 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.934 -7.732 0.770 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -8.420 -5.690 -1.948 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -8.222 -4.790 2.158 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -9.296 -3.305 -1.664 1.00 10.00 H new ATOM 241 N LYS A 18 -6.011 -8.655 2.850 1.00 10.00 N ATOM 242 CA LYS A 18 -6.006 -9.481 4.046 1.00 10.00 C ATOM 243 C LYS A 18 -4.804 -9.196 4.961 1.00 10.00 C ATOM 244 O LYS A 18 -4.975 -8.584 6.007 1.00 10.00 O ATOM 245 CB LYS A 18 -6.040 -10.946 3.591 1.00 10.00 C ATOM 246 CG LYS A 18 -7.419 -11.583 3.776 1.00 10.00 C ATOM 247 CD LYS A 18 -7.547 -12.171 5.187 1.00 10.00 C ATOM 248 CE LYS A 18 -8.631 -13.247 5.278 1.00 10.00 C ATOM 249 NZ LYS A 18 -8.234 -14.471 4.545 1.00 10.00 N ATOM 0 H LYS A 18 -5.680 -9.166 2.031 1.00 10.00 H new ATOM 0 HA LYS A 18 -6.881 -9.248 4.653 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.754 -11.004 2.541 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.301 -11.516 4.155 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -8.197 -10.837 3.613 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -7.568 -12.366 3.033 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -6.590 -12.598 5.487 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -7.774 -11.371 5.891 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -8.818 -13.491 6.324 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -9.565 -12.862 4.869 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.782 -15.281 4.899 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -8.421 -14.344 3.530 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -7.220 -14.649 4.691 1.00 10.00 H new ATOM 263 N ALA A 19 -3.592 -9.639 4.602 1.00 10.00 N ATOM 264 CA ALA A 19 -2.486 -9.776 5.556 1.00 10.00 C ATOM 265 C ALA A 19 -2.134 -8.454 6.246 1.00 10.00 C ATOM 266 O ALA A 19 -2.024 -8.386 7.472 1.00 10.00 O ATOM 267 CB ALA A 19 -1.269 -10.391 4.860 1.00 10.00 C ATOM 0 H ALA A 19 -3.352 -9.911 3.648 1.00 10.00 H new ATOM 0 HA ALA A 19 -2.814 -10.448 6.349 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.452 -10.489 5.575 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.531 -11.375 4.471 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -0.956 -9.747 4.038 1.00 10.00 H new ATOM 273 N HIS A 20 -2.013 -7.382 5.455 1.00 10.00 N ATOM 274 CA HIS A 20 -1.898 -6.036 5.996 1.00 10.00 C ATOM 275 C HIS A 20 -3.037 -5.746 6.989 1.00 10.00 C ATOM 276 O HIS A 20 -2.765 -5.371 8.123 1.00 10.00 O ATOM 277 CB HIS A 20 -1.841 -4.985 4.875 1.00 10.00 C ATOM 278 CG HIS A 20 -0.458 -4.649 4.358 1.00 10.00 C ATOM 279 ND1 HIS A 20 0.441 -5.503 3.758 1.00 10.00 N ATOM 280 CD2 HIS A 20 0.107 -3.398 4.347 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.515 -4.777 3.410 1.00 10.00 C ATOM 282 NE2 HIS A 20 1.370 -3.482 3.745 1.00 10.00 N ATOM 0 H HIS A 20 -1.993 -7.428 4.436 1.00 10.00 H new ATOM 0 HA HIS A 20 -0.958 -5.972 6.543 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.445 -5.339 4.039 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.306 -4.068 5.238 1.00 10.00 H new ATOM 0 HD1 HIS A 20 0.314 -6.504 3.606 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.346 -2.499 4.737 1.00 10.00 H new ATOM 0 HE1 HIS A 20 2.388 -5.183 2.921 1.00 10.00 H new ATOM 290 N ALA A 21 -4.302 -5.945 6.601 1.00 10.00 N ATOM 291 CA ALA A 21 -5.453 -5.700 7.475 1.00 10.00 C ATOM 292 C ALA A 21 -5.423 -6.525 8.768 1.00 10.00 C ATOM 293 O ALA A 21 -5.707 -6.004 9.842 1.00 10.00 O ATOM 294 CB ALA A 21 -6.762 -5.936 6.721 1.00 10.00 C ATOM 0 H ALA A 21 -4.556 -6.281 5.672 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.390 -4.654 7.775 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.604 -5.749 7.387 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -6.817 -5.260 5.868 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -6.799 -6.967 6.370 1.00 10.00 H new ATOM 300 N GLU A 22 -5.069 -7.808 8.679 1.00 10.00 N ATOM 301 CA GLU A 22 -4.965 -8.703 9.826 1.00 10.00 C ATOM 302 C GLU A 22 -3.966 -8.176 10.876 1.00 10.00 C ATOM 303 O GLU A 22 -4.216 -8.296 12.073 1.00 10.00 O ATOM 304 CB GLU A 22 -4.664 -10.126 9.323 1.00 10.00 C ATOM 305 CG GLU A 22 -5.869 -10.694 8.562 1.00 10.00 C ATOM 306 CD GLU A 22 -5.628 -12.033 7.877 1.00 10.00 C ATOM 307 OE1 GLU A 22 -4.610 -12.140 7.161 1.00 10.00 O ATOM 308 OE2 GLU A 22 -6.519 -12.902 8.000 1.00 10.00 O ATOM 0 H GLU A 22 -4.843 -8.259 7.792 1.00 10.00 H new ATOM 0 HA GLU A 22 -5.915 -8.741 10.358 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.790 -10.110 8.672 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.422 -10.772 10.167 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -6.700 -10.804 9.259 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.178 -9.969 7.809 1.00 10.00 H new ATOM 315 N LYS A 23 -2.862 -7.543 10.451 1.00 10.00 N ATOM 316 CA LYS A 23 -1.986 -6.788 11.337 1.00 10.00 C ATOM 317 C LYS A 23 -2.555 -5.414 11.728 1.00 10.00 C ATOM 318 O LYS A 23 -2.379 -4.963 12.857 1.00 10.00 O ATOM 319 CB LYS A 23 -0.636 -6.607 10.632 1.00 10.00 C ATOM 320 CG LYS A 23 0.446 -6.431 11.691 1.00 10.00 C ATOM 321 CD LYS A 23 1.855 -6.287 11.094 1.00 10.00 C ATOM 322 CE LYS A 23 2.864 -6.092 12.237 1.00 10.00 C ATOM 323 NZ LYS A 23 4.267 -6.162 11.772 1.00 10.00 N ATOM 0 H LYS A 23 -2.557 -7.545 9.478 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.882 -7.351 12.265 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.416 -7.473 10.007 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.666 -5.738 9.974 1.00 10.00 H new ATOM 0 HG2 LYS A 23 0.220 -5.549 12.290 1.00 10.00 H new ATOM 0 HG3 LYS A 23 0.429 -7.287 12.365 1.00 10.00 H new ATOM 0 HD2 LYS A 23 2.110 -7.173 10.513 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.890 -5.438 10.412 1.00 10.00 H new ATOM 0 HE2 LYS A 23 2.689 -5.126 12.711 1.00 10.00 H new ATOM 0 HE3 LYS A 23 2.698 -6.855 12.998 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 4.903 -6.212 12.593 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 4.396 -7.009 11.183 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 4.490 -5.314 11.213 1.00 10.00 H new ATOM 337 N LEU A 24 -3.148 -4.723 10.754 1.00 10.00 N ATOM 338 CA LEU A 24 -3.562 -3.331 10.809 1.00 10.00 C ATOM 339 C LEU A 24 -5.071 -3.212 11.096 1.00 10.00 C ATOM 340 O LEU A 24 -5.482 -3.228 12.253 1.00 10.00 O ATOM 341 CB LEU A 24 -3.116 -2.648 9.509 1.00 10.00 C ATOM 342 CG LEU A 24 -1.602 -2.663 9.244 1.00 10.00 C ATOM 343 CD1 LEU A 24 -1.369 -2.159 7.818 1.00 10.00 C ATOM 344 CD2 LEU A 24 -0.829 -1.785 10.235 1.00 10.00 C ATOM 0 H LEU A 24 -3.363 -5.151 9.853 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.082 -2.813 11.639 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -3.619 -3.133 8.672 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -3.454 -1.612 9.528 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.235 -3.682 9.370 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.301 -2.159 7.602 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -1.882 -2.813 7.113 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -1.758 -1.145 7.722 1.00 10.00 H new ATOM 0 HD21 LEU A 24 0.236 -1.829 10.006 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.175 -0.755 10.155 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -0.997 -2.146 11.249 1.00 10.00 H new ATOM 356 N GLY A 25 -5.891 -3.087 10.050 1.00 10.00 N ATOM 357 CA GLY A 25 -7.338 -3.047 10.102 1.00 10.00 C ATOM 358 C GLY A 25 -7.835 -2.642 8.712 1.00 10.00 C ATOM 359 O GLY A 25 -7.149 -2.873 7.716 1.00 10.00 O ATOM 0 H GLY A 25 -5.535 -3.007 9.097 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -7.739 -4.020 10.384 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -7.675 -2.333 10.853 1.00 10.00 H new ATOM 363 N CYS A 26 -8.988 -1.989 8.643 1.00 10.00 N ATOM 364 CA CYS A 26 -9.481 -1.320 7.434 1.00 10.00 C ATOM 365 C CYS A 26 -9.208 0.176 7.551 1.00 10.00 C ATOM 366 O CYS A 26 -8.523 0.753 6.713 1.00 10.00 O ATOM 367 CB CYS A 26 -10.950 -1.587 7.205 1.00 10.00 C ATOM 368 SG CYS A 26 -11.400 -3.346 7.355 1.00 10.00 S ATOM 0 H CYS A 26 -9.622 -1.905 9.437 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.953 -1.722 6.569 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.533 -1.009 7.922 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.225 -1.233 6.211 1.00 10.00 H new ATOM 373 N ASP A 27 -9.703 0.754 8.644 1.00 10.00 N ATOM 374 CA ASP A 27 -9.296 1.980 9.316 1.00 10.00 C ATOM 375 C ASP A 27 -7.869 2.407 8.927 1.00 10.00 C ATOM 376 O ASP A 27 -7.662 3.413 8.251 1.00 10.00 O ATOM 377 CB ASP A 27 -9.449 1.678 10.822 1.00 10.00 C ATOM 378 CG ASP A 27 -8.930 0.287 11.168 1.00 10.00 C ATOM 379 OD1 ASP A 27 -7.725 0.207 11.477 1.00 10.00 O ATOM 380 OD2 ASP A 27 -9.680 -0.680 10.894 1.00 10.00 O ATOM 0 H ASP A 27 -10.488 0.323 9.133 1.00 10.00 H new ATOM 0 HA ASP A 27 -9.910 2.832 9.023 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -8.906 2.425 11.401 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -10.499 1.757 11.105 1.00 10.00 H new ATOM 385 N ALA A 28 -6.891 1.583 9.301 1.00 10.00 N ATOM 386 CA ALA A 28 -5.482 1.671 8.968 1.00 10.00 C ATOM 387 C ALA A 28 -5.157 2.168 7.544 1.00 10.00 C ATOM 388 O ALA A 28 -4.152 2.851 7.353 1.00 10.00 O ATOM 389 CB ALA A 28 -4.891 0.282 9.201 1.00 10.00 C ATOM 0 H ALA A 28 -7.086 0.775 9.892 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.041 2.436 9.607 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.827 0.295 8.964 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -5.026 -0.001 10.245 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.397 -0.441 8.561 1.00 10.00 H new ATOM 395 N CYS A 29 -5.972 1.809 6.546 1.00 10.00 N ATOM 396 CA CYS A 29 -5.802 2.180 5.139 1.00 10.00 C ATOM 397 C CYS A 29 -6.975 3.017 4.597 1.00 10.00 C ATOM 398 O CYS A 29 -6.980 3.367 3.420 1.00 10.00 O ATOM 399 CB CYS A 29 -5.691 0.922 4.318 1.00 10.00 C ATOM 400 SG CYS A 29 -4.072 0.086 4.456 1.00 10.00 S ATOM 0 H CYS A 29 -6.798 1.231 6.703 1.00 10.00 H new ATOM 0 HA CYS A 29 -4.901 2.790 5.068 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.474 0.229 4.626 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -5.875 1.166 3.272 1.00 10.00 H new ATOM 405 N HIS A 30 -7.995 3.299 5.412 1.00 10.00 N ATOM 406 CA HIS A 30 -9.278 3.788 4.934 1.00 10.00 C ATOM 407 C HIS A 30 -9.956 4.697 5.972 1.00 10.00 C ATOM 408 O HIS A 30 -10.209 4.278 7.099 1.00 10.00 O ATOM 409 CB HIS A 30 -10.162 2.569 4.634 1.00 10.00 C ATOM 410 CG HIS A 30 -9.781 1.758 3.430 1.00 10.00 C ATOM 411 ND1 HIS A 30 -9.692 2.238 2.154 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.682 0.398 3.356 1.00 10.00 C ATOM 413 CE1 HIS A 30 -9.504 1.187 1.330 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.491 0.028 2.011 1.00 10.00 N ATOM 0 H HIS A 30 -7.947 3.192 6.425 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.129 4.387 4.036 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.152 1.915 5.506 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.188 2.913 4.506 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -9.756 3.217 1.874 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.741 -0.283 4.193 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -9.380 1.266 0.260 1.00 10.00 H new ATOM 422 N GLU A 31 -10.308 5.922 5.578 1.00 10.00 N ATOM 423 CA GLU A 31 -10.849 6.960 6.443 1.00 10.00 C ATOM 424 C GLU A 31 -12.283 6.648 6.920 1.00 10.00 C ATOM 425 O GLU A 31 -13.252 7.293 6.516 1.00 10.00 O ATOM 426 CB GLU A 31 -10.762 8.311 5.708 1.00 10.00 C ATOM 427 CG GLU A 31 -9.358 8.617 5.145 1.00 10.00 C ATOM 428 CD GLU A 31 -9.187 8.248 3.670 1.00 10.00 C ATOM 429 OE1 GLU A 31 -9.370 7.052 3.352 1.00 10.00 O ATOM 430 OE2 GLU A 31 -8.885 9.174 2.889 1.00 10.00 O ATOM 0 H GLU A 31 -10.219 6.225 4.608 1.00 10.00 H new ATOM 0 HA GLU A 31 -10.251 7.006 7.353 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -11.482 8.317 4.890 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -11.051 9.108 6.393 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.151 9.680 5.270 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -8.616 8.077 5.733 1.00 10.00 H new ATOM 437 N GLY A 32 -12.435 5.637 7.779 1.00 10.00 N ATOM 438 CA GLY A 32 -13.724 5.177 8.294 1.00 10.00 C ATOM 439 C GLY A 32 -14.524 4.403 7.240 1.00 10.00 C ATOM 440 O GLY A 32 -14.813 3.222 7.417 1.00 10.00 O ATOM 0 H GLY A 32 -11.645 5.104 8.143 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -13.560 4.540 9.163 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -14.306 6.035 8.632 1.00 10.00 H new ATOM 444 N THR A 33 -14.875 5.065 6.135 1.00 10.00 N ATOM 445 CA THR A 33 -15.569 4.452 5.001 1.00 10.00 C ATOM 446 C THR A 33 -14.553 3.817 4.038 1.00 10.00 C ATOM 447 O THR A 33 -13.775 4.549 3.426 1.00 10.00 O ATOM 448 CB THR A 33 -16.408 5.510 4.269 1.00 10.00 C ATOM 449 OG1 THR A 33 -17.343 6.070 5.168 1.00 10.00 O ATOM 450 CG2 THR A 33 -17.205 4.903 3.112 1.00 10.00 C ATOM 0 H THR A 33 -14.682 6.058 6.001 1.00 10.00 H new ATOM 0 HA THR A 33 -16.232 3.670 5.371 1.00 10.00 H new ATOM 0 HB THR A 33 -15.717 6.258 3.881 1.00 10.00 H new ATOM 0 HG1 THR A 33 -17.878 6.747 4.704 1.00 10.00 H new ATOM 0 HG21 THR A 33 -17.785 5.684 2.620 1.00 10.00 H new ATOM 0 HG22 THR A 33 -16.519 4.454 2.394 1.00 10.00 H new ATOM 0 HG23 THR A 33 -17.880 4.138 3.497 1.00 10.00 H new ATOM 458 N PRO A 34 -14.528 2.485 3.868 1.00 10.00 N ATOM 459 CA PRO A 34 -13.635 1.849 2.911 1.00 10.00 C ATOM 460 C PRO A 34 -14.108 2.100 1.475 1.00 10.00 C ATOM 461 O PRO A 34 -15.307 2.123 1.204 1.00 10.00 O ATOM 462 CB PRO A 34 -13.656 0.368 3.279 1.00 10.00 C ATOM 463 CG PRO A 34 -15.070 0.168 3.823 1.00 10.00 C ATOM 464 CD PRO A 34 -15.358 1.491 4.534 1.00 10.00 C ATOM 0 HA PRO A 34 -12.622 2.249 2.952 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.463 -0.266 2.413 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -12.899 0.127 4.025 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.786 -0.024 3.024 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -15.122 -0.678 4.508 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.414 1.752 4.463 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.116 1.426 5.595 1.00 10.00 H new ATOM 472 N ALA A 35 -13.163 2.310 0.554 1.00 10.00 N ATOM 473 CA ALA A 35 -13.449 2.694 -0.824 1.00 10.00 C ATOM 474 C ALA A 35 -12.236 2.443 -1.730 1.00 10.00 C ATOM 475 O ALA A 35 -11.130 2.193 -1.249 1.00 10.00 O ATOM 476 CB ALA A 35 -13.859 4.171 -0.861 1.00 10.00 C ATOM 0 H ALA A 35 -12.167 2.216 0.751 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.269 2.082 -1.200 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.074 4.463 -1.889 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -14.749 4.317 -0.249 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -13.046 4.784 -0.472 1.00 10.00 H new ATOM 482 N LYS A 36 -12.438 2.524 -3.050 1.00 10.00 N ATOM 483 CA LYS A 36 -11.358 2.365 -4.017 1.00 10.00 C ATOM 484 C LYS A 36 -10.492 3.622 -4.119 1.00 10.00 C ATOM 485 O LYS A 36 -10.732 4.508 -4.937 1.00 10.00 O ATOM 486 CB LYS A 36 -11.826 1.859 -5.387 1.00 10.00 C ATOM 487 CG LYS A 36 -13.069 2.568 -5.936 1.00 10.00 C ATOM 488 CD LYS A 36 -14.307 1.727 -5.599 1.00 10.00 C ATOM 489 CE LYS A 36 -15.636 2.326 -6.056 1.00 10.00 C ATOM 490 NZ LYS A 36 -15.841 2.103 -7.499 1.00 10.00 N ATOM 0 H LYS A 36 -13.350 2.701 -3.471 1.00 10.00 H new ATOM 0 HA LYS A 36 -10.724 1.570 -3.624 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.011 1.976 -6.101 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.035 0.792 -5.314 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -13.159 3.563 -5.501 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -12.984 2.698 -7.015 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -14.194 0.742 -6.053 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -14.344 1.578 -4.520 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -16.455 1.877 -5.494 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -15.651 3.395 -5.843 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -16.750 2.518 -7.789 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -15.070 2.552 -8.033 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -15.849 1.082 -7.695 1.00 10.00 H new ATOM 504 N ILE A 37 -9.453 3.666 -3.288 1.00 10.00 N ATOM 505 CA ILE A 37 -8.377 4.642 -3.401 1.00 10.00 C ATOM 506 C ILE A 37 -7.660 4.418 -4.738 1.00 10.00 C ATOM 507 O ILE A 37 -7.141 3.333 -4.978 1.00 10.00 O ATOM 508 CB ILE A 37 -7.411 4.486 -2.209 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.148 4.745 -0.881 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.224 5.452 -2.358 1.00 10.00 C ATOM 511 CD1 ILE A 37 -7.332 4.320 0.343 1.00 10.00 C ATOM 0 H ILE A 37 -9.335 3.017 -2.510 1.00 10.00 H new ATOM 0 HA ILE A 37 -8.771 5.658 -3.377 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.032 3.464 -2.200 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -8.385 5.806 -0.803 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.095 4.206 -0.885 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -5.549 5.333 -1.510 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -5.689 5.231 -3.282 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -6.591 6.478 -2.388 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -7.901 4.526 1.249 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.117 3.253 0.284 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -6.396 4.878 0.368 1.00 10.00 H new ATOM 523 N ALA A 38 -7.625 5.423 -5.619 1.00 10.00 N ATOM 524 CA ALA A 38 -6.943 5.291 -6.903 1.00 10.00 C ATOM 525 C ALA A 38 -5.418 5.272 -6.739 1.00 10.00 C ATOM 526 O ALA A 38 -4.807 6.265 -6.341 1.00 10.00 O ATOM 527 CB ALA A 38 -7.380 6.403 -7.853 1.00 10.00 C ATOM 0 H ALA A 38 -8.060 6.332 -5.464 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.229 4.332 -7.336 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.863 6.291 -8.806 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.456 6.342 -8.014 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.133 7.371 -7.418 1.00 10.00 H new ATOM 533 N ILE A 39 -4.810 4.129 -7.056 1.00 10.00 N ATOM 534 CA ILE A 39 -3.374 3.900 -6.970 1.00 10.00 C ATOM 535 C ILE A 39 -2.719 4.004 -8.360 1.00 10.00 C ATOM 536 O ILE A 39 -3.118 3.316 -9.295 1.00 10.00 O ATOM 537 CB ILE A 39 -3.112 2.547 -6.294 1.00 10.00 C ATOM 538 CG1 ILE A 39 -3.784 2.438 -4.911 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.601 2.328 -6.175 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.254 3.410 -3.851 1.00 10.00 C ATOM 0 H ILE A 39 -5.323 3.313 -7.390 1.00 10.00 H new ATOM 0 HA ILE A 39 -2.914 4.674 -6.356 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.555 1.769 -6.916 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -4.855 2.604 -5.031 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -3.659 1.420 -4.543 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.409 1.368 -5.695 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.153 2.333 -7.169 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.164 3.127 -5.576 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -3.790 3.255 -2.915 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.190 3.233 -3.694 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.405 4.435 -4.189 1.00 10.00 H new ATOM 552 N ASP A 40 -1.706 4.869 -8.465 1.00 10.00 N ATOM 553 CA ASP A 40 -0.845 5.083 -9.629 1.00 10.00 C ATOM 554 C ASP A 40 0.545 5.432 -9.063 1.00 10.00 C ATOM 555 O ASP A 40 0.716 5.516 -7.840 1.00 10.00 O ATOM 556 CB ASP A 40 -1.466 6.226 -10.474 1.00 10.00 C ATOM 557 CG ASP A 40 -0.937 6.424 -11.900 1.00 10.00 C ATOM 558 OD1 ASP A 40 0.247 6.805 -12.057 1.00 10.00 O ATOM 559 OD2 ASP A 40 -1.738 6.293 -12.844 1.00 10.00 O ATOM 0 H ASP A 40 -1.450 5.478 -7.688 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.753 4.217 -10.284 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.540 6.053 -10.535 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.325 7.160 -9.931 1.00 10.00 H new ATOM 564 N LYS A 41 1.493 5.814 -9.913 1.00 10.00 N ATOM 565 CA LYS A 41 2.798 6.363 -9.519 1.00 10.00 C ATOM 566 C LYS A 41 2.710 7.794 -8.942 1.00 10.00 C ATOM 567 O LYS A 41 3.711 8.510 -8.901 1.00 10.00 O ATOM 568 CB LYS A 41 3.772 6.313 -10.714 1.00 10.00 C ATOM 569 CG LYS A 41 3.057 6.868 -11.939 1.00 10.00 C ATOM 570 CD LYS A 41 3.901 7.416 -13.086 1.00 10.00 C ATOM 571 CE LYS A 41 2.942 8.153 -14.041 1.00 10.00 C ATOM 572 NZ LYS A 41 1.673 7.405 -14.271 1.00 10.00 N ATOM 0 H LYS A 41 1.377 5.751 -10.924 1.00 10.00 H new ATOM 0 HA LYS A 41 3.176 5.736 -8.712 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.666 6.898 -10.499 1.00 10.00 H new ATOM 0 HB3 LYS A 41 4.097 5.289 -10.896 1.00 10.00 H new ATOM 0 HG2 LYS A 41 2.424 6.077 -12.341 1.00 10.00 H new ATOM 0 HG3 LYS A 41 2.395 7.666 -11.604 1.00 10.00 H new ATOM 0 HD2 LYS A 41 4.668 8.094 -12.711 1.00 10.00 H new ATOM 0 HD3 LYS A 41 4.417 6.608 -13.605 1.00 10.00 H new ATOM 0 HE2 LYS A 41 2.711 9.136 -13.630 1.00 10.00 H new ATOM 0 HE3 LYS A 41 3.441 8.316 -14.996 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 1.181 7.801 -15.097 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 1.888 6.402 -14.444 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 1.064 7.489 -13.432 1.00 10.00 H new ATOM 586 N LYS A 42 1.524 8.213 -8.490 1.00 10.00 N ATOM 587 CA LYS A 42 1.283 9.444 -7.758 1.00 10.00 C ATOM 588 C LYS A 42 0.977 9.070 -6.303 1.00 10.00 C ATOM 589 O LYS A 42 1.860 9.144 -5.456 1.00 10.00 O ATOM 590 CB LYS A 42 0.167 10.224 -8.470 1.00 10.00 C ATOM 591 CG LYS A 42 -0.077 11.605 -7.844 1.00 10.00 C ATOM 592 CD LYS A 42 -1.262 12.332 -8.506 1.00 10.00 C ATOM 593 CE LYS A 42 -1.148 12.518 -10.029 1.00 10.00 C ATOM 594 NZ LYS A 42 0.076 13.252 -10.415 1.00 10.00 N ATOM 0 H LYS A 42 0.671 7.673 -8.635 1.00 10.00 H new ATOM 0 HA LYS A 42 2.147 10.108 -7.737 1.00 10.00 H new ATOM 0 HB2 LYS A 42 0.427 10.346 -9.521 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -0.756 9.645 -8.435 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -0.270 11.491 -6.777 1.00 10.00 H new ATOM 0 HG3 LYS A 42 0.823 12.213 -7.942 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -2.175 11.776 -8.291 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -1.370 13.313 -8.043 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -1.151 11.541 -10.513 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -2.022 13.057 -10.393 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 0.109 13.353 -11.450 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 0.069 14.195 -9.976 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 0.913 12.726 -10.092 1.00 10.00 H new ATOM 608 N SER A 43 -0.243 8.609 -6.009 1.00 10.00 N ATOM 609 CA SER A 43 -0.710 8.235 -4.676 1.00 10.00 C ATOM 610 C SER A 43 0.314 7.372 -3.929 1.00 10.00 C ATOM 611 O SER A 43 0.728 7.705 -2.816 1.00 10.00 O ATOM 612 CB SER A 43 -2.054 7.506 -4.841 1.00 10.00 C ATOM 613 OG SER A 43 -2.775 8.088 -5.917 1.00 10.00 O ATOM 0 H SER A 43 -0.959 8.482 -6.724 1.00 10.00 H new ATOM 0 HA SER A 43 -0.840 9.129 -4.066 1.00 10.00 H new ATOM 0 HB2 SER A 43 -1.885 6.446 -5.033 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.634 7.575 -3.920 1.00 10.00 H new ATOM 0 HG SER A 43 -3.531 7.511 -6.154 1.00 10.00 H new ATOM 619 N ALA A 44 0.763 6.299 -4.593 1.00 10.00 N ATOM 620 CA ALA A 44 1.738 5.346 -4.065 1.00 10.00 C ATOM 621 C ALA A 44 3.046 6.012 -3.619 1.00 10.00 C ATOM 622 O ALA A 44 3.674 5.586 -2.650 1.00 10.00 O ATOM 623 CB ALA A 44 2.036 4.303 -5.143 1.00 10.00 C ATOM 0 H ALA A 44 0.448 6.067 -5.535 1.00 10.00 H new ATOM 0 HA ALA A 44 1.303 4.884 -3.179 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.763 3.585 -4.763 1.00 10.00 H new ATOM 0 HB2 ALA A 44 1.116 3.782 -5.410 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.442 4.798 -6.025 1.00 10.00 H new ATOM 629 N HIS A 45 3.461 7.047 -4.355 1.00 10.00 N ATOM 630 CA HIS A 45 4.737 7.738 -4.209 1.00 10.00 C ATOM 631 C HIS A 45 4.602 9.075 -3.460 1.00 10.00 C ATOM 632 O HIS A 45 5.600 9.668 -3.031 1.00 10.00 O ATOM 633 CB HIS A 45 5.294 7.977 -5.611 1.00 10.00 C ATOM 634 CG HIS A 45 5.392 6.753 -6.488 1.00 10.00 C ATOM 635 ND1 HIS A 45 5.531 6.805 -7.847 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.561 5.445 -6.107 1.00 10.00 C ATOM 637 CE1 HIS A 45 5.816 5.568 -8.273 1.00 10.00 C ATOM 638 NE2 HIS A 45 5.837 4.690 -7.255 1.00 10.00 N ATOM 0 H HIS A 45 2.888 7.441 -5.101 1.00 10.00 H new ATOM 0 HA HIS A 45 5.408 7.119 -3.613 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.665 8.713 -6.112 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.287 8.417 -5.519 1.00 10.00 H new ATOM 0 HD1 HIS A 45 5.435 7.636 -8.431 1.00 10.00 H new ATOM 0 HD2 HIS A 45 5.493 5.064 -5.099 1.00 10.00 H new ATOM 0 HE1 HIS A 45 6.005 5.308 -9.304 1.00 10.00 H new ATOM 646 N LYS A 46 3.366 9.532 -3.240 1.00 10.00 N ATOM 647 CA LYS A 46 3.074 10.782 -2.552 1.00 10.00 C ATOM 648 C LYS A 46 3.003 10.516 -1.060 1.00 10.00 C ATOM 649 O LYS A 46 3.809 11.063 -0.304 1.00 10.00 O ATOM 650 CB LYS A 46 1.765 11.402 -3.057 1.00 10.00 C ATOM 651 CG LYS A 46 1.670 12.857 -2.574 1.00 10.00 C ATOM 652 CD LYS A 46 0.425 13.549 -3.143 1.00 10.00 C ATOM 653 CE LYS A 46 0.264 14.984 -2.616 1.00 10.00 C ATOM 654 NZ LYS A 46 1.366 15.874 -3.045 1.00 10.00 N ATOM 0 H LYS A 46 2.530 9.032 -3.542 1.00 10.00 H new ATOM 0 HA LYS A 46 3.870 11.498 -2.759 1.00 10.00 H new ATOM 0 HB2 LYS A 46 1.729 11.366 -4.146 1.00 10.00 H new ATOM 0 HB3 LYS A 46 0.913 10.829 -2.690 1.00 10.00 H new ATOM 0 HG2 LYS A 46 1.637 12.880 -1.485 1.00 10.00 H new ATOM 0 HG3 LYS A 46 2.563 13.403 -2.877 1.00 10.00 H new ATOM 0 HD2 LYS A 46 0.488 13.569 -4.231 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -0.461 12.968 -2.886 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -0.685 15.391 -2.966 1.00 10.00 H new ATOM 0 HE3 LYS A 46 0.220 14.965 -1.527 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 1.175 16.844 -2.721 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 2.261 15.541 -2.634 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 1.437 15.864 -4.083 1.00 10.00 H new ATOM 668 N ASP A 47 2.084 9.629 -0.673 1.00 10.00 N ATOM 669 CA ASP A 47 1.861 9.301 0.728 1.00 10.00 C ATOM 670 C ASP A 47 1.331 7.871 0.958 1.00 10.00 C ATOM 671 O ASP A 47 1.982 7.080 1.641 1.00 10.00 O ATOM 672 CB ASP A 47 0.963 10.388 1.334 1.00 10.00 C ATOM 673 CG ASP A 47 1.177 10.455 2.830 1.00 10.00 C ATOM 674 OD1 ASP A 47 2.174 11.103 3.215 1.00 10.00 O ATOM 675 OD2 ASP A 47 0.402 9.796 3.547 1.00 10.00 O ATOM 0 H ASP A 47 1.479 9.123 -1.320 1.00 10.00 H new ATOM 0 HA ASP A 47 2.820 9.293 1.245 1.00 10.00 H new ATOM 0 HB2 ASP A 47 1.189 11.353 0.882 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -0.083 10.171 1.116 1.00 10.00 H new ATOM 680 N ALA A 48 0.176 7.554 0.353 1.00 10.00 N ATOM 681 CA ALA A 48 -0.656 6.359 0.559 1.00 10.00 C ATOM 682 C ALA A 48 0.032 5.175 1.263 1.00 10.00 C ATOM 683 O ALA A 48 -0.242 4.891 2.427 1.00 10.00 O ATOM 684 CB ALA A 48 -1.276 5.944 -0.785 1.00 10.00 C ATOM 0 H ALA A 48 -0.232 8.174 -0.347 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.432 6.647 1.268 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -1.895 5.058 -0.642 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.891 6.758 -1.169 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.483 5.721 -1.498 1.00 10.00 H new ATOM 690 N CYS A 49 0.915 4.468 0.552 1.00 10.00 N ATOM 691 CA CYS A 49 1.655 3.330 1.096 1.00 10.00 C ATOM 692 C CYS A 49 2.918 3.790 1.846 1.00 10.00 C ATOM 693 O CYS A 49 3.156 3.441 3.004 1.00 10.00 O ATOM 694 CB CYS A 49 2.027 2.379 -0.023 1.00 10.00 C ATOM 695 SG CYS A 49 0.712 1.967 -1.222 1.00 10.00 S ATOM 0 H CYS A 49 1.136 4.672 -0.423 1.00 10.00 H new ATOM 0 HA CYS A 49 1.013 2.815 1.811 1.00 10.00 H new ATOM 0 HB2 CYS A 49 2.864 2.810 -0.572 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.383 1.451 0.424 1.00 10.00 H new ATOM 700 N LYS A 50 3.756 4.569 1.155 1.00 10.00 N ATOM 701 CA LYS A 50 5.100 4.929 1.595 1.00 10.00 C ATOM 702 C LYS A 50 5.184 5.602 2.975 1.00 10.00 C ATOM 703 O LYS A 50 6.176 5.426 3.680 1.00 10.00 O ATOM 704 CB LYS A 50 5.743 5.823 0.536 1.00 10.00 C ATOM 705 CG LYS A 50 4.844 7.014 0.213 1.00 10.00 C ATOM 706 CD LYS A 50 5.588 8.086 -0.560 1.00 10.00 C ATOM 707 CE LYS A 50 6.415 9.032 0.313 1.00 10.00 C ATOM 708 NZ LYS A 50 6.401 10.379 -0.292 1.00 10.00 N ATOM 0 H LYS A 50 3.509 4.975 0.252 1.00 10.00 H new ATOM 0 HA LYS A 50 5.639 3.989 1.713 1.00 10.00 H new ATOM 0 HB2 LYS A 50 6.710 6.178 0.892 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.929 5.246 -0.370 1.00 10.00 H new ATOM 0 HG2 LYS A 50 3.986 6.675 -0.368 1.00 10.00 H new ATOM 0 HG3 LYS A 50 4.454 7.437 1.139 1.00 10.00 H new ATOM 0 HD2 LYS A 50 6.249 7.605 -1.281 1.00 10.00 H new ATOM 0 HD3 LYS A 50 4.868 8.673 -1.130 1.00 10.00 H new ATOM 0 HE2 LYS A 50 6.005 9.068 1.322 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.439 8.668 0.398 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 7.256 10.897 -0.005 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 6.379 10.294 -1.328 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 5.558 10.896 0.031 1.00 10.00 H new ATOM 722 N THR A 51 4.194 6.411 3.353 1.00 10.00 N ATOM 723 CA THR A 51 4.264 7.183 4.594 1.00 10.00 C ATOM 724 C THR A 51 3.929 6.317 5.812 1.00 10.00 C ATOM 725 O THR A 51 4.626 6.396 6.822 1.00 10.00 O ATOM 726 CB THR A 51 3.436 8.466 4.481 1.00 10.00 C ATOM 727 OG1 THR A 51 4.039 9.271 3.487 1.00 10.00 O ATOM 728 CG2 THR A 51 3.444 9.277 5.778 1.00 10.00 C ATOM 0 H THR A 51 3.336 6.549 2.819 1.00 10.00 H new ATOM 0 HA THR A 51 5.292 7.508 4.755 1.00 10.00 H new ATOM 0 HB THR A 51 2.407 8.189 4.250 1.00 10.00 H new ATOM 0 HG1 THR A 51 3.501 10.078 3.349 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.843 10.177 5.648 1.00 10.00 H new ATOM 0 HG22 THR A 51 3.027 8.676 6.586 1.00 10.00 H new ATOM 0 HG23 THR A 51 4.468 9.557 6.026 1.00 10.00 H new ATOM 736 N CYS A 52 2.937 5.420 5.712 1.00 10.00 N ATOM 737 CA CYS A 52 2.744 4.391 6.743 1.00 10.00 C ATOM 738 C CYS A 52 4.045 3.610 6.949 1.00 10.00 C ATOM 739 O CYS A 52 4.548 3.516 8.068 1.00 10.00 O ATOM 740 CB CYS A 52 1.609 3.466 6.402 1.00 10.00 C ATOM 741 SG CYS A 52 1.438 2.253 7.749 1.00 10.00 S ATOM 0 H CYS A 52 2.268 5.385 4.943 1.00 10.00 H new ATOM 0 HA CYS A 52 2.479 4.890 7.675 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.684 4.029 6.278 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.803 2.959 5.457 1.00 10.00 H new ATOM 746 N HIS A 53 4.660 3.183 5.841 1.00 10.00 N ATOM 747 CA HIS A 53 5.966 2.531 5.804 1.00 10.00 C ATOM 748 C HIS A 53 7.147 3.314 6.442 1.00 10.00 C ATOM 749 O HIS A 53 8.292 2.889 6.303 1.00 10.00 O ATOM 750 CB HIS A 53 6.267 2.189 4.340 1.00 10.00 C ATOM 751 CG HIS A 53 5.396 1.154 3.695 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.533 0.742 2.399 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.471 0.341 4.286 1.00 10.00 C ATOM 754 CE1 HIS A 53 4.700 -0.297 2.205 1.00 10.00 C ATOM 755 NE2 HIS A 53 4.019 -0.580 3.324 1.00 10.00 N ATOM 0 H HIS A 53 4.245 3.287 4.915 1.00 10.00 H new ATOM 0 HA HIS A 53 5.891 1.646 6.436 1.00 10.00 H new ATOM 0 HB2 HIS A 53 6.195 3.106 3.755 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.301 1.851 4.276 1.00 10.00 H new ATOM 0 HD1 HIS A 53 6.156 1.150 1.702 1.00 10.00 H new ATOM 0 HD2 HIS A 53 4.144 0.396 5.314 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.594 -0.831 1.272 1.00 10.00 H new ATOM 763 N LYS A 54 6.910 4.430 7.133 1.00 10.00 N ATOM 764 CA LYS A 54 7.879 5.092 7.997 1.00 10.00 C ATOM 765 C LYS A 54 7.581 4.892 9.489 1.00 10.00 C ATOM 766 O LYS A 54 8.491 4.922 10.313 1.00 10.00 O ATOM 767 CB LYS A 54 7.855 6.566 7.673 1.00 10.00 C ATOM 768 CG LYS A 54 8.280 6.757 6.221 1.00 10.00 C ATOM 769 CD LYS A 54 8.957 8.120 6.136 1.00 10.00 C ATOM 770 CE LYS A 54 9.351 8.473 4.701 1.00 10.00 C ATOM 771 NZ LYS A 54 10.068 9.766 4.663 1.00 10.00 N ATOM 0 H LYS A 54 6.010 4.910 7.104 1.00 10.00 H new ATOM 0 HA LYS A 54 8.859 4.653 7.812 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.855 6.971 7.830 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.527 7.109 8.337 1.00 10.00 H new ATOM 0 HG2 LYS A 54 8.963 5.966 5.911 1.00 10.00 H new ATOM 0 HG3 LYS A 54 7.417 6.712 5.556 1.00 10.00 H new ATOM 0 HD2 LYS A 54 8.285 8.884 6.526 1.00 10.00 H new ATOM 0 HD3 LYS A 54 9.845 8.124 6.768 1.00 10.00 H new ATOM 0 HE2 LYS A 54 9.984 7.687 4.288 1.00 10.00 H new ATOM 0 HE3 LYS A 54 8.460 8.526 4.076 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 10.328 9.990 3.681 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 9.452 10.516 5.038 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 10.929 9.703 5.243 1.00 10.00 H new ATOM 785 N SER A 55 6.302 4.733 9.844 1.00 10.00 N ATOM 786 CA SER A 55 5.865 4.514 11.220 1.00 10.00 C ATOM 787 C SER A 55 6.241 3.108 11.699 1.00 10.00 C ATOM 788 O SER A 55 6.604 2.918 12.857 1.00 10.00 O ATOM 789 CB SER A 55 4.352 4.739 11.304 1.00 10.00 C ATOM 790 OG SER A 55 3.895 4.543 12.628 1.00 10.00 O ATOM 0 H SER A 55 5.534 4.754 9.173 1.00 10.00 H new ATOM 0 HA SER A 55 6.371 5.223 11.876 1.00 10.00 H new ATOM 0 HB2 SER A 55 4.110 5.750 10.975 1.00 10.00 H new ATOM 0 HB3 SER A 55 3.838 4.053 10.630 1.00 10.00 H new ATOM 0 HG SER A 55 2.927 4.692 12.665 1.00 10.00 H new ATOM 796 N ASN A 56 6.161 2.132 10.790 1.00 10.00 N ATOM 797 CA ASN A 56 6.566 0.756 11.023 1.00 10.00 C ATOM 798 C ASN A 56 7.974 0.521 10.449 1.00 10.00 C ATOM 799 O ASN A 56 8.618 1.442 9.945 1.00 10.00 O ATOM 800 CB ASN A 56 5.469 -0.156 10.449 1.00 10.00 C ATOM 801 CG ASN A 56 5.432 -0.168 8.923 1.00 10.00 C ATOM 802 OD1 ASN A 56 4.658 0.539 8.294 1.00 10.00 O ATOM 803 ND2 ASN A 56 6.241 -1.000 8.294 1.00 10.00 N ATOM 0 H ASN A 56 5.802 2.289 9.848 1.00 10.00 H new ATOM 0 HA ASN A 56 6.656 0.521 12.084 1.00 10.00 H new ATOM 0 HB2 ASN A 56 5.626 -1.173 10.810 1.00 10.00 H new ATOM 0 HB3 ASN A 56 4.500 0.171 10.827 1.00 10.00 H new ATOM 0 HD21 ASN A 56 6.223 -1.056 7.276 1.00 10.00 H new ATOM 0 HD22 ASN A 56 6.884 -1.586 8.826 1.00 10.00 H new ATOM 810 N ASN A 57 8.457 -0.720 10.475 1.00 10.00 N ATOM 811 CA ASN A 57 9.769 -1.097 9.940 1.00 10.00 C ATOM 812 C ASN A 57 9.696 -1.241 8.414 1.00 10.00 C ATOM 813 O ASN A 57 9.992 -2.293 7.851 1.00 10.00 O ATOM 814 CB ASN A 57 10.250 -2.395 10.610 1.00 10.00 C ATOM 815 CG ASN A 57 10.309 -2.295 12.129 1.00 10.00 C ATOM 816 OD1 ASN A 57 9.796 -3.145 12.846 1.00 10.00 O ATOM 817 ND2 ASN A 57 10.955 -1.264 12.658 1.00 10.00 N ATOM 0 H ASN A 57 7.942 -1.505 10.874 1.00 10.00 H new ATOM 0 HA ASN A 57 10.493 -0.314 10.163 1.00 10.00 H new ATOM 0 HB2 ASN A 57 9.583 -3.210 10.331 1.00 10.00 H new ATOM 0 HB3 ASN A 57 11.239 -2.649 10.229 1.00 10.00 H new ATOM 0 HD21 ASN A 57 11.028 -1.174 13.671 1.00 10.00 H new ATOM 0 HD22 ASN A 57 11.379 -0.562 12.051 1.00 10.00 H new ATOM 824 N GLY A 58 9.252 -0.179 7.740 1.00 10.00 N ATOM 825 CA GLY A 58 8.733 -0.291 6.387 1.00 10.00 C ATOM 826 C GLY A 58 9.778 -0.143 5.275 1.00 10.00 C ATOM 827 O GLY A 58 10.884 0.367 5.473 1.00 10.00 O ATOM 0 H GLY A 58 9.244 0.769 8.116 1.00 10.00 H new ATOM 0 HA2 GLY A 58 8.246 -1.261 6.280 1.00 10.00 H new ATOM 0 HA3 GLY A 58 7.964 0.469 6.245 1.00 10.00 H new ATOM 831 N PRO A 59 9.417 -0.585 4.063 1.00 10.00 N ATOM 832 CA PRO A 59 10.303 -0.609 2.912 1.00 10.00 C ATOM 833 C PRO A 59 10.545 0.796 2.353 1.00 10.00 C ATOM 834 O PRO A 59 9.973 1.182 1.335 1.00 10.00 O ATOM 835 CB PRO A 59 9.601 -1.522 1.903 1.00 10.00 C ATOM 836 CG PRO A 59 8.126 -1.296 2.214 1.00 10.00 C ATOM 837 CD PRO A 59 8.140 -1.198 3.737 1.00 10.00 C ATOM 0 HA PRO A 59 11.297 -0.978 3.165 1.00 10.00 H new ATOM 0 HB2 PRO A 59 9.844 -1.252 0.875 1.00 10.00 H new ATOM 0 HB3 PRO A 59 9.887 -2.566 2.034 1.00 10.00 H new ATOM 0 HG2 PRO A 59 7.745 -0.387 1.749 1.00 10.00 H new ATOM 0 HG3 PRO A 59 7.503 -2.119 1.863 1.00 10.00 H new ATOM 0 HD2 PRO A 59 7.308 -0.595 4.101 1.00 10.00 H new ATOM 0 HD3 PRO A 59 8.046 -2.182 4.197 1.00 10.00 H new ATOM 845 N THR A 60 11.457 1.549 2.971 1.00 10.00 N ATOM 846 CA THR A 60 11.953 2.819 2.426 1.00 10.00 C ATOM 847 C THR A 60 12.888 2.602 1.214 1.00 10.00 C ATOM 848 O THR A 60 14.041 3.022 1.192 1.00 10.00 O ATOM 849 CB THR A 60 12.535 3.687 3.560 1.00 10.00 C ATOM 850 OG1 THR A 60 12.814 4.994 3.101 1.00 10.00 O ATOM 851 CG2 THR A 60 13.787 3.119 4.236 1.00 10.00 C ATOM 0 H THR A 60 11.875 1.296 3.866 1.00 10.00 H new ATOM 0 HA THR A 60 11.122 3.389 2.010 1.00 10.00 H new ATOM 0 HB THR A 60 11.753 3.698 4.319 1.00 10.00 H new ATOM 0 HG1 THR A 60 13.181 5.528 3.837 1.00 10.00 H new ATOM 0 HG21 THR A 60 14.119 3.801 5.019 1.00 10.00 H new ATOM 0 HG22 THR A 60 13.555 2.149 4.675 1.00 10.00 H new ATOM 0 HG23 THR A 60 14.579 3.002 3.496 1.00 10.00 H new ATOM 859 N LYS A 61 12.375 1.927 0.178 1.00 10.00 N ATOM 860 CA LYS A 61 13.099 1.543 -1.030 1.00 10.00 C ATOM 861 C LYS A 61 12.104 1.242 -2.166 1.00 10.00 C ATOM 862 O LYS A 61 11.130 0.523 -1.942 1.00 10.00 O ATOM 863 CB LYS A 61 14.015 0.339 -0.719 1.00 10.00 C ATOM 864 CG LYS A 61 13.268 -0.923 -0.250 1.00 10.00 C ATOM 865 CD LYS A 61 14.238 -2.071 0.083 1.00 10.00 C ATOM 866 CE LYS A 61 13.542 -3.443 0.179 1.00 10.00 C ATOM 867 NZ LYS A 61 12.555 -3.511 1.279 1.00 10.00 N ATOM 0 H LYS A 61 11.402 1.623 0.163 1.00 10.00 H new ATOM 0 HA LYS A 61 13.732 2.364 -1.366 1.00 10.00 H new ATOM 0 HB2 LYS A 61 14.590 0.095 -1.612 1.00 10.00 H new ATOM 0 HB3 LYS A 61 14.730 0.631 0.051 1.00 10.00 H new ATOM 0 HG2 LYS A 61 12.670 -0.686 0.630 1.00 10.00 H new ATOM 0 HG3 LYS A 61 12.576 -1.246 -1.028 1.00 10.00 H new ATOM 0 HD2 LYS A 61 15.013 -2.117 -0.682 1.00 10.00 H new ATOM 0 HD3 LYS A 61 14.735 -1.856 1.029 1.00 10.00 H new ATOM 0 HE2 LYS A 61 13.042 -3.658 -0.765 1.00 10.00 H new ATOM 0 HE3 LYS A 61 14.295 -4.218 0.325 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 11.944 -4.342 1.147 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 13.054 -3.589 2.188 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 11.972 -2.650 1.276 1.00 10.00 H new ATOM 881 N CYS A 62 12.325 1.771 -3.381 1.00 10.00 N ATOM 882 CA CYS A 62 11.444 1.516 -4.531 1.00 10.00 C ATOM 883 C CYS A 62 11.187 0.008 -4.684 1.00 10.00 C ATOM 884 O CYS A 62 10.056 -0.479 -4.607 1.00 10.00 O ATOM 885 CB CYS A 62 12.035 2.040 -5.823 1.00 10.00 C ATOM 886 SG CYS A 62 12.748 3.719 -5.770 1.00 10.00 S ATOM 0 H CYS A 62 13.113 2.383 -3.592 1.00 10.00 H new ATOM 0 HA CYS A 62 10.509 2.041 -4.337 1.00 10.00 H new ATOM 0 HB2 CYS A 62 12.813 1.349 -6.147 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.256 2.024 -6.586 1.00 10.00 H new ATOM 891 N GLY A 63 12.258 -0.767 -4.841 1.00 10.00 N ATOM 892 CA GLY A 63 12.182 -2.214 -4.992 1.00 10.00 C ATOM 893 C GLY A 63 11.928 -2.962 -3.678 1.00 10.00 C ATOM 894 O GLY A 63 12.428 -4.066 -3.481 1.00 10.00 O ATOM 0 H GLY A 63 13.210 -0.403 -4.867 1.00 10.00 H new ATOM 0 HA2 GLY A 63 11.385 -2.455 -5.696 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.113 -2.573 -5.429 1.00 10.00 H new ATOM 898 N GLY A 64 11.153 -2.360 -2.772 1.00 10.00 N ATOM 899 CA GLY A 64 10.452 -3.052 -1.697 1.00 10.00 C ATOM 900 C GLY A 64 8.950 -3.135 -1.968 1.00 10.00 C ATOM 901 O GLY A 64 8.263 -3.919 -1.321 1.00 10.00 O ATOM 0 H GLY A 64 10.994 -1.352 -2.769 1.00 10.00 H new ATOM 0 HA2 GLY A 64 10.858 -4.057 -1.585 1.00 10.00 H new ATOM 0 HA3 GLY A 64 10.624 -2.531 -0.755 1.00 10.00 H new ATOM 905 N CYS A 65 8.434 -2.347 -2.923 1.00 10.00 N ATOM 906 CA CYS A 65 7.040 -2.459 -3.343 1.00 10.00 C ATOM 907 C CYS A 65 6.965 -3.343 -4.595 1.00 10.00 C ATOM 908 O CYS A 65 6.639 -4.520 -4.505 1.00 10.00 O ATOM 909 CB CYS A 65 6.451 -1.077 -3.480 1.00 10.00 C ATOM 910 SG CYS A 65 6.367 -0.300 -1.831 1.00 10.00 S ATOM 0 H CYS A 65 8.965 -1.628 -3.415 1.00 10.00 H new ATOM 0 HA CYS A 65 6.421 -2.960 -2.599 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.062 -0.472 -4.150 1.00 10.00 H new ATOM 0 HB3 CYS A 65 5.456 -1.134 -3.920 1.00 10.00 H new ATOM 915 N HIS A 66 7.336 -2.801 -5.752 1.00 10.00 N ATOM 916 CA HIS A 66 7.528 -3.540 -7.005 1.00 10.00 C ATOM 917 C HIS A 66 8.592 -4.651 -6.825 1.00 10.00 C ATOM 918 O HIS A 66 9.676 -4.365 -6.311 1.00 10.00 O ATOM 919 CB HIS A 66 7.929 -2.561 -8.139 1.00 10.00 C ATOM 920 CG HIS A 66 7.908 -1.103 -7.815 1.00 10.00 C ATOM 921 ND1 HIS A 66 8.772 -0.519 -6.934 1.00 10.00 N ATOM 922 CD2 HIS A 66 6.964 -0.169 -8.153 1.00 10.00 C ATOM 923 CE1 HIS A 66 8.357 0.734 -6.738 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.267 1.019 -7.459 1.00 10.00 N ATOM 0 H HIS A 66 7.518 -1.802 -5.851 1.00 10.00 H new ATOM 0 HA HIS A 66 6.589 -4.021 -7.280 1.00 10.00 H new ATOM 0 HB2 HIS A 66 8.935 -2.820 -8.470 1.00 10.00 H new ATOM 0 HB3 HIS A 66 7.262 -2.730 -8.984 1.00 10.00 H new ATOM 0 HD1 HIS A 66 9.585 -0.960 -6.504 1.00 10.00 H new ATOM 0 HD2 HIS A 66 6.136 -0.317 -8.830 1.00 10.00 H new ATOM 0 HE1 HIS A 66 8.843 1.435 -6.076 1.00 10.00 H new ATOM 932 N ILE A 67 8.320 -5.890 -7.267 1.00 10.00 N ATOM 933 CA ILE A 67 9.321 -6.969 -7.287 1.00 10.00 C ATOM 934 C ILE A 67 10.606 -6.552 -8.029 1.00 10.00 C ATOM 935 O ILE A 67 10.561 -5.776 -8.982 1.00 10.00 O ATOM 936 CB ILE A 67 8.738 -8.268 -7.894 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.501 -8.812 -7.155 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.789 -9.391 -7.966 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.639 -8.870 -5.631 1.00 10.00 C ATOM 0 H ILE A 67 7.405 -6.171 -7.619 1.00 10.00 H new ATOM 0 HA ILE A 67 9.590 -7.167 -6.249 1.00 10.00 H new ATOM 0 HB ILE A 67 8.427 -7.973 -8.896 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.642 -8.189 -7.405 1.00 10.00 H new ATOM 0 HG13 ILE A 67 7.286 -9.814 -7.525 1.00 10.00 H new ATOM 0 HG21 ILE A 67 9.338 -10.284 -8.398 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.624 -9.069 -8.588 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.150 -9.616 -6.963 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.720 -9.265 -5.197 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.474 -9.518 -5.366 1.00 10.00 H new ATOM 0 HD13 ILE A 67 7.821 -7.867 -5.244 1.00 10.00 H new ATOM 951 N LYS A 68 11.750 -7.088 -7.589 1.00 10.00 N ATOM 952 CA LYS A 68 13.081 -6.855 -8.136 1.00 10.00 C ATOM 953 C LYS A 68 14.038 -7.944 -7.623 1.00 10.00 C ATOM 954 O LYS A 68 13.608 -8.681 -6.705 1.00 10.00 O ATOM 955 CB LYS A 68 13.567 -5.463 -7.721 1.00 10.00 C ATOM 956 CG LYS A 68 13.572 -5.350 -6.190 1.00 10.00 C ATOM 957 CD LYS A 68 14.910 -4.847 -5.631 1.00 10.00 C ATOM 958 CE LYS A 68 15.985 -5.932 -5.807 1.00 10.00 C ATOM 959 NZ LYS A 68 17.260 -5.558 -5.168 1.00 10.00 N ATOM 960 OXT LYS A 68 15.194 -7.974 -8.096 1.00 10.00 O ATOM 0 H LYS A 68 11.767 -7.731 -6.797 1.00 10.00 H new ATOM 0 HA LYS A 68 13.051 -6.900 -9.225 1.00 10.00 H new ATOM 0 HB2 LYS A 68 14.569 -5.286 -8.111 1.00 10.00 H new ATOM 0 HB3 LYS A 68 12.919 -4.699 -8.149 1.00 10.00 H new ATOM 0 HG2 LYS A 68 12.777 -4.673 -5.878 1.00 10.00 H new ATOM 0 HG3 LYS A 68 13.348 -6.325 -5.758 1.00 10.00 H new ATOM 0 HD2 LYS A 68 15.211 -3.936 -6.147 1.00 10.00 H new ATOM 0 HD3 LYS A 68 14.803 -4.595 -4.576 1.00 10.00 H new ATOM 0 HE2 LYS A 68 15.627 -6.869 -5.380 1.00 10.00 H new ATOM 0 HE3 LYS A 68 16.151 -6.109 -6.870 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 17.956 -6.317 -5.311 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 17.616 -4.678 -5.592 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 17.109 -5.415 -4.149 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -9.241 -1.802 1.215 1.00 10.00 FE HETATM 976 CHA HEC A 130 -10.132 -0.831 -1.894 1.00 10.00 C HETATM 977 CHB HEC A 130 -12.334 -2.548 1.936 1.00 10.00 C HETATM 978 CHC HEC A 130 -8.196 -3.034 4.139 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.152 -0.750 0.583 1.00 10.00 C HETATM 980 NA HEC A 130 -10.882 -1.670 0.245 1.00 10.00 N HETATM 981 C1A HEC A 130 -11.071 -1.234 -1.019 1.00 10.00 C HETATM 982 C2A HEC A 130 -12.486 -1.263 -1.337 1.00 10.00 C HETATM 983 C3A HEC A 130 -13.109 -1.722 -0.213 1.00 10.00 C HETATM 984 C4A HEC A 130 -12.065 -2.008 0.741 1.00 10.00 C HETATM 985 CMA HEC A 130 -14.604 -1.915 -0.029 1.00 10.00 C HETATM 986 CAA HEC A 130 -13.202 -0.765 -2.584 1.00 10.00 C HETATM 987 CBA HEC A 130 -13.930 -1.847 -3.407 1.00 10.00 C HETATM 988 CGA HEC A 130 -14.918 -1.250 -4.432 1.00 10.00 C HETATM 989 O1A HEC A 130 -14.807 -1.577 -5.634 1.00 10.00 O HETATM 990 O2A HEC A 130 -15.751 -0.410 -4.015 1.00 10.00 O HETATM 991 NB HEC A 130 -10.080 -2.618 2.721 1.00 10.00 N HETATM 992 C1B HEC A 130 -11.379 -2.832 2.828 1.00 10.00 C HETATM 993 C2B HEC A 130 -11.686 -3.463 4.092 1.00 10.00 C HETATM 994 C3B HEC A 130 -10.493 -3.588 4.754 1.00 10.00 C HETATM 995 C4B HEC A 130 -9.496 -3.068 3.842 1.00 10.00 C HETATM 996 CMB HEC A 130 -13.061 -3.894 4.573 1.00 10.00 C HETATM 997 CAB HEC A 130 -10.274 -4.124 6.167 1.00 10.00 C HETATM 998 CBB HEC A 130 -10.392 -5.649 6.264 1.00 10.00 C HETATM 999 NC HEC A 130 -7.553 -1.895 2.137 1.00 10.00 N HETATM 1000 C1C HEC A 130 -7.320 -2.444 3.332 1.00 10.00 C HETATM 1001 C2C HEC A 130 -5.915 -2.363 3.655 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.378 -1.536 2.715 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.406 -1.373 1.721 1.00 10.00 C HETATM 1004 CMC HEC A 130 -5.167 -3.063 4.770 1.00 10.00 C HETATM 1005 CAC HEC A 130 -4.095 -0.730 2.830 1.00 10.00 C HETATM 1006 CBC HEC A 130 -2.831 -1.515 2.479 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.331 -0.977 -0.335 1.00 10.00 N HETATM 1008 C1D HEC A 130 -7.051 -0.645 -0.370 1.00 10.00 C HETATM 1009 C2D HEC A 130 -6.683 -0.140 -1.664 1.00 10.00 C HETATM 1010 C3D HEC A 130 -7.824 -0.180 -2.409 1.00 10.00 C HETATM 1011 C4D HEC A 130 -8.855 -0.688 -1.528 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.290 0.270 -2.114 1.00 10.00 C HETATM 1013 CAD HEC A 130 -7.920 0.089 -3.894 1.00 10.00 C HETATM 1014 CBD HEC A 130 -7.901 -1.219 -4.695 1.00 10.00 C HETATM 1015 CGD HEC A 130 -8.016 -0.997 -6.209 1.00 10.00 C HETATM 1016 O1D HEC A 130 -7.045 -1.356 -6.914 1.00 10.00 O HETATM 1017 O2D HEC A 130 -9.065 -0.460 -6.628 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -4.925 1.076 -1.478 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -4.617 -0.584 -2.039 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.328 0.612 -3.148 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -5.588 -2.768 5.731 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -5.260 -4.142 4.649 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -4.114 -2.783 4.734 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -13.719 -3.026 4.620 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -13.476 -4.626 3.880 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -12.977 -4.340 5.564 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -15.113 -0.961 -0.163 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -14.972 -2.629 -0.766 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -14.801 -2.294 0.974 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -6.977 -1.756 -4.481 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -8.723 -1.854 -4.363 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -2.735 -2.368 3.150 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -2.896 -1.868 1.450 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -1.960 -0.869 2.586 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -11.388 -5.958 5.948 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -9.646 -6.113 5.619 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -10.225 -5.962 7.295 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -13.194 -2.457 -3.931 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -14.470 -2.510 -2.731 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -8.837 0.637 -4.109 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.090 0.722 -4.206 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -13.929 -0.009 -2.287 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -12.474 -0.272 -3.228 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.167 -0.310 0.430 1.00 10.00 H new HETATM 0 HHC HEC A 130 -7.846 -3.499 5.061 1.00 10.00 H new HETATM 0 HHB HEC A 130 -13.371 -2.765 2.192 1.00 10.00 H new HETATM 0 HHA HEC A 130 -10.419 -0.617 -2.923 1.00 10.00 H new HETATM 0 H2D HEC A 130 -9.014 -0.359 -7.601 1.00 10.00 H new HETATM 0 H2A HEC A 130 -16.617 -0.567 -4.445 1.00 10.00 H new HETATM 1050 FE HEC A 153 2.702 -2.048 3.464 1.00 10.00 FE HETATM 1051 CHA HEC A 153 5.178 -4.008 4.553 1.00 10.00 C HETATM 1052 CHB HEC A 153 3.166 -3.168 0.362 1.00 10.00 C HETATM 1053 CHC HEC A 153 0.580 0.227 2.351 1.00 10.00 C HETATM 1054 CHD HEC A 153 1.991 -1.178 6.591 1.00 10.00 C HETATM 1055 NA HEC A 153 3.954 -3.270 2.621 1.00 10.00 N HETATM 1056 C1A HEC A 153 4.928 -3.960 3.239 1.00 10.00 C HETATM 1057 C2A HEC A 153 5.669 -4.749 2.272 1.00 10.00 C HETATM 1058 C3A HEC A 153 5.031 -4.558 1.078 1.00 10.00 C HETATM 1059 C4A HEC A 153 3.968 -3.614 1.333 1.00 10.00 C HETATM 1060 CMA HEC A 153 5.388 -5.191 -0.255 1.00 10.00 C HETATM 1061 CAA HEC A 153 6.919 -5.599 2.486 1.00 10.00 C HETATM 1062 CBA HEC A 153 8.207 -4.790 2.239 1.00 10.00 C HETATM 1063 CGA HEC A 153 9.533 -5.574 2.177 1.00 10.00 C HETATM 1064 O1A HEC A 153 10.538 -4.965 1.724 1.00 10.00 O HETATM 1065 O2A HEC A 153 9.553 -6.745 2.608 1.00 10.00 O HETATM 1066 NB HEC A 153 1.995 -1.595 1.737 1.00 10.00 N HETATM 1067 C1B HEC A 153 2.283 -2.183 0.576 1.00 10.00 C HETATM 1068 C2B HEC A 153 1.598 -1.508 -0.508 1.00 10.00 C HETATM 1069 C3B HEC A 153 0.837 -0.529 0.069 1.00 10.00 C HETATM 1070 C4B HEC A 153 1.133 -0.611 1.483 1.00 10.00 C HETATM 1071 CMB HEC A 153 1.818 -1.705 -1.990 1.00 10.00 C HETATM 1072 CAB HEC A 153 -0.117 0.458 -0.619 1.00 10.00 C HETATM 1073 CBB HEC A 153 -0.934 -0.107 -1.794 1.00 10.00 C HETATM 1074 NC HEC A 153 1.529 -0.740 4.300 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.759 0.130 3.662 1.00 10.00 C HETATM 1076 C2C HEC A 153 0.045 0.975 4.596 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.448 0.564 5.838 1.00 10.00 C HETATM 1078 C4C HEC A 153 1.385 -0.519 5.602 1.00 10.00 C HETATM 1079 CMC HEC A 153 -0.969 2.069 4.279 1.00 10.00 C HETATM 1080 CAC HEC A 153 0.096 1.174 7.192 1.00 10.00 C HETATM 1081 CBC HEC A 153 -1.244 1.905 7.332 1.00 10.00 C HETATM 1082 ND HEC A 153 3.403 -2.525 5.200 1.00 10.00 N HETATM 1083 C1D HEC A 153 2.918 -2.112 6.365 1.00 10.00 C HETATM 1084 C2D HEC A 153 3.556 -2.819 7.450 1.00 10.00 C HETATM 1085 C3D HEC A 153 4.480 -3.642 6.870 1.00 10.00 C HETATM 1086 C4D HEC A 153 4.394 -3.386 5.446 1.00 10.00 C HETATM 1087 CMD HEC A 153 3.197 -2.727 8.922 1.00 10.00 C HETATM 1088 CAD HEC A 153 5.219 -4.789 7.548 1.00 10.00 C HETATM 1089 CBD HEC A 153 6.575 -4.433 8.189 1.00 10.00 C HETATM 1090 CGD HEC A 153 6.471 -3.950 9.646 1.00 10.00 C HETATM 1091 O1D HEC A 153 5.762 -4.623 10.434 1.00 10.00 O HETATM 1092 O2D HEC A 153 7.054 -2.885 9.957 1.00 10.00 O HETATM 0 HMD3 HEC A 153 3.315 -1.698 9.262 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 2.163 -3.040 9.065 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 3.855 -3.377 9.498 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -0.498 2.835 3.663 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -1.813 1.638 3.740 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.323 2.517 5.207 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 2.851 -1.464 -2.240 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 1.613 -2.743 -2.253 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 1.148 -1.050 -2.547 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 6.404 -4.909 -0.531 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 5.322 -6.276 -0.172 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 4.694 -4.843 -1.020 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 7.223 -5.308 8.153 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 7.054 -3.656 7.593 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -1.278 2.739 6.631 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -2.059 1.215 7.115 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -1.349 2.281 8.350 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 -0.257 -0.465 -2.569 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 -1.553 -0.933 -1.443 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -1.572 0.676 -2.203 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 8.091 -4.249 1.300 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 8.293 -4.043 3.028 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 4.572 -5.206 8.320 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 5.383 -5.575 6.811 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 6.924 -5.989 3.504 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 6.894 -6.458 1.815 1.00 10.00 H new HETATM 0 HHD HEC A 153 1.720 -0.946 7.621 1.00 10.00 H new HETATM 0 HHC HEC A 153 -0.049 1.031 1.970 1.00 10.00 H new HETATM 0 HHB HEC A 153 3.232 -3.617 -0.629 1.00 10.00 H new HETATM 0 HHA HEC A 153 6.043 -4.568 4.907 1.00 10.00 H new HETATM 0 H2D HEC A 153 7.113 -2.817 10.933 1.00 10.00 H new HETATM 0 H2A HEC A 153 10.381 -7.185 2.323 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.489 2.836 -7.407 1.00 10.00 FE HETATM 1126 CHA HEC A 166 4.144 2.368 -9.701 1.00 10.00 C HETATM 1127 CHB HEC A 166 8.727 3.511 -9.676 1.00 10.00 C HETATM 1128 CHC HEC A 166 8.447 3.931 -4.988 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.507 1.398 -5.129 1.00 10.00 C HETATM 1130 NA HEC A 166 6.450 2.897 -9.284 1.00 10.00 N HETATM 1131 C1A HEC A 166 5.380 2.711 -10.068 1.00 10.00 C HETATM 1132 C2A HEC A 166 5.728 2.978 -11.447 1.00 10.00 C HETATM 1133 C3A HEC A 166 7.072 3.239 -11.447 1.00 10.00 C HETATM 1134 C4A HEC A 166 7.486 3.181 -10.063 1.00 10.00 C HETATM 1135 CMA HEC A 166 7.920 3.679 -12.626 1.00 10.00 C HETATM 1136 CAA HEC A 166 4.774 3.029 -12.635 1.00 10.00 C HETATM 1137 CBA HEC A 166 4.489 1.662 -13.281 1.00 10.00 C HETATM 1138 CGA HEC A 166 5.565 1.133 -14.246 1.00 10.00 C HETATM 1139 O1A HEC A 166 6.472 1.909 -14.623 1.00 10.00 O HETATM 1140 O2A HEC A 166 5.458 -0.058 -14.617 1.00 10.00 O HETATM 1141 NB HEC A 166 8.216 3.574 -7.338 1.00 10.00 N HETATM 1142 C1B HEC A 166 9.015 3.738 -8.387 1.00 10.00 C HETATM 1143 C2B HEC A 166 10.281 4.290 -7.961 1.00 10.00 C HETATM 1144 C3B HEC A 166 10.188 4.456 -6.603 1.00 10.00 C HETATM 1145 C4B HEC A 166 8.856 4.016 -6.256 1.00 10.00 C HETATM 1146 CMB HEC A 166 11.454 4.658 -8.854 1.00 10.00 C HETATM 1147 CAB HEC A 166 11.309 4.820 -5.631 1.00 10.00 C HETATM 1148 CBB HEC A 166 11.743 6.286 -5.736 1.00 10.00 C HETATM 1149 NC HEC A 166 6.504 2.663 -5.468 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.407 3.180 -4.655 1.00 10.00 C HETATM 1151 C2C HEC A 166 7.203 2.725 -3.302 1.00 10.00 C HETATM 1152 C3C HEC A 166 6.072 1.961 -3.340 1.00 10.00 C HETATM 1153 C4C HEC A 166 5.642 1.968 -4.724 1.00 10.00 C HETATM 1154 CMC HEC A 166 8.153 2.879 -2.125 1.00 10.00 C HETATM 1155 CAC HEC A 166 5.441 1.225 -2.167 1.00 10.00 C HETATM 1156 CBC HEC A 166 5.360 2.052 -0.882 1.00 10.00 C HETATM 1157 ND HEC A 166 4.674 2.079 -7.410 1.00 10.00 N HETATM 1158 C1D HEC A 166 4.059 1.537 -6.373 1.00 10.00 C HETATM 1159 C2D HEC A 166 2.710 1.163 -6.724 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.589 1.377 -8.068 1.00 10.00 C HETATM 1161 C4D HEC A 166 3.845 2.000 -8.462 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.597 0.766 -5.768 1.00 10.00 C HETATM 1163 CAD HEC A 166 1.364 0.949 -8.883 1.00 10.00 C HETATM 1164 CBD HEC A 166 1.562 0.357 -10.294 1.00 10.00 C HETATM 1165 CGD HEC A 166 1.283 1.327 -11.464 1.00 10.00 C HETATM 1166 O1D HEC A 166 1.134 0.820 -12.596 1.00 10.00 O HETATM 1167 O2D HEC A 166 1.246 2.557 -11.213 1.00 10.00 O HETATM 0 HMD3 HEC A 166 1.901 -0.114 -5.202 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 1.397 1.588 -5.081 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 0.694 0.539 -6.335 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 9.096 2.381 -2.351 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 8.337 3.938 -1.942 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 7.708 2.429 -1.237 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 11.796 3.772 -9.389 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 11.141 5.416 -9.572 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 12.267 5.050 -8.243 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 7.873 2.923 -13.410 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 7.543 4.626 -13.012 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 8.954 3.805 -12.304 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 2.588 -0.002 -10.378 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 0.911 -0.511 -10.400 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 6.364 2.345 -0.574 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 4.760 2.944 -1.061 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 4.898 1.456 -0.094 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 12.103 6.488 -6.745 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 10.894 6.933 -5.518 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 12.542 6.481 -5.020 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 4.350 0.929 -12.486 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 3.545 1.728 -13.822 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 0.820 0.212 -8.293 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 0.716 1.820 -8.982 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 3.831 3.467 -12.309 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 5.190 3.695 -13.391 1.00 10.00 H new HETATM 0 HHD HEC A 166 3.931 0.802 -4.421 1.00 10.00 H new HETATM 0 HHC HEC A 166 8.976 4.488 -4.215 1.00 10.00 H new HETATM 0 HHB HEC A 166 9.516 3.596 -10.424 1.00 10.00 H new HETATM 0 HHA HEC A 166 3.350 2.391 -10.447 1.00 10.00 H new HETATM 0 H2D HEC A 166 1.084 3.055 -12.041 1.00 10.00 H new HETATM 0 H2A HEC A 166 5.013 -0.090 -15.490 1.00 10.00 H new