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 54 LYS NZ :NH3+ -133:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 60 THR OG1 : rot -51:sc= 1.87 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 166:sc= 0.975 (180deg=0.366) USER MOD Set 2.2: A 153 HEC O2D : rot -118:sc= 0.41 USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= 1.11 USER MOD Set 3.2: A 14 THR OG1 : rot -59:sc= 1.22 USER MOD Single : A 1 ALA N :NH3+ -178:sc= 0.174 (180deg=0.163) USER MOD Single : A 6 TYR OH : rot -140:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.462 K(o=0.46,f=-5.4!) USER MOD Single : A 12 ASN : amide:sc= 0.813 K(o=0.81,f=-3.8!) USER MOD Single : A 18 LYS NZ :NH3+ -155:sc= -0.0541 (180deg=-3.55!) USER MOD Single : A 33 THR OG1 : rot 44:sc= 0.209 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= 1.18 (180deg=1.11) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 172:sc= 1.2 USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= -0.239 (180deg=-0.773) USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= 2.48 (180deg=1.73) USER MOD Single : A 51 THR OG1 : rot 175:sc= 1.16 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 156:sc= -0.127! (180deg=-3.51!) USER MOD Single : A 130 HEC O2A : rot 154:sc= 0 USER MOD Single : A 130 HEC O2D : rot 168:sc= 0 USER MOD Single : A 153 HEC O2A : rot 177:sc= -0.0105 USER MOD Single : A 166 HEC O2A : rot 167:sc= 0.995 USER MOD Single : A 166 HEC O2D : rot 169:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.265 -8.887 -3.543 1.00 10.00 N ATOM 2 CA ALA A 1 -11.327 -8.165 -2.246 1.00 10.00 C ATOM 3 C ALA A 1 -10.511 -8.891 -1.156 1.00 10.00 C ATOM 4 O ALA A 1 -11.040 -9.301 -0.126 1.00 10.00 O ATOM 5 CB ALA A 1 -12.790 -7.986 -1.824 1.00 10.00 C ATOM 0 H1 ALA A 1 -11.796 -8.355 -4.262 1.00 10.00 H new ATOM 0 H2 ALA A 1 -10.273 -8.979 -3.842 1.00 10.00 H new ATOM 0 H3 ALA A 1 -11.683 -9.833 -3.434 1.00 10.00 H new ATOM 0 HA ALA A 1 -10.877 -7.180 -2.373 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -12.832 -7.456 -0.872 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -13.320 -7.411 -2.583 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -13.260 -8.964 -1.716 1.00 10.00 H new ATOM 13 N ASP A 2 -9.228 -9.125 -1.445 1.00 10.00 N ATOM 14 CA ASP A 2 -8.509 -10.309 -0.981 1.00 10.00 C ATOM 15 C ASP A 2 -7.002 -10.171 -1.266 1.00 10.00 C ATOM 16 O ASP A 2 -6.209 -9.978 -0.344 1.00 10.00 O ATOM 17 CB ASP A 2 -9.121 -11.547 -1.680 1.00 10.00 C ATOM 18 CG ASP A 2 -9.709 -11.213 -3.046 1.00 10.00 C ATOM 19 OD1 ASP A 2 -9.047 -10.438 -3.776 1.00 10.00 O ATOM 20 OD2 ASP A 2 -10.923 -11.434 -3.235 1.00 10.00 O ATOM 0 H ASP A 2 -8.659 -8.495 -2.010 1.00 10.00 H new ATOM 0 HA ASP A 2 -8.612 -10.422 0.098 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -8.353 -12.312 -1.795 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -9.900 -11.970 -1.046 1.00 10.00 H new ATOM 25 N VAL A 3 -6.627 -10.264 -2.545 1.00 10.00 N ATOM 26 CA VAL A 3 -5.254 -10.155 -3.047 1.00 10.00 C ATOM 27 C VAL A 3 -5.265 -9.430 -4.401 1.00 10.00 C ATOM 28 O VAL A 3 -5.504 -10.048 -5.437 1.00 10.00 O ATOM 29 CB VAL A 3 -4.601 -11.549 -3.165 1.00 10.00 C ATOM 30 CG1 VAL A 3 -3.151 -11.430 -3.653 1.00 10.00 C ATOM 31 CG2 VAL A 3 -4.569 -12.293 -1.824 1.00 10.00 C ATOM 0 H VAL A 3 -7.302 -10.425 -3.292 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.657 -9.576 -2.342 1.00 10.00 H new ATOM 0 HB VAL A 3 -5.211 -12.106 -3.876 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.710 -12.424 -3.729 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -3.135 -10.950 -4.631 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -2.577 -10.831 -2.946 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -4.100 -13.268 -1.960 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.997 -11.713 -1.100 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -5.587 -12.428 -1.458 1.00 10.00 H new ATOM 41 N VAL A 4 -5.016 -8.117 -4.404 1.00 10.00 N ATOM 42 CA VAL A 4 -5.090 -7.295 -5.614 1.00 10.00 C ATOM 43 C VAL A 4 -3.678 -6.981 -6.142 1.00 10.00 C ATOM 44 O VAL A 4 -2.991 -6.078 -5.664 1.00 10.00 O ATOM 45 CB VAL A 4 -5.974 -6.058 -5.370 1.00 10.00 C ATOM 46 CG1 VAL A 4 -6.170 -5.268 -6.671 1.00 10.00 C ATOM 47 CG2 VAL A 4 -7.358 -6.469 -4.842 1.00 10.00 C ATOM 0 H VAL A 4 -4.757 -7.595 -3.567 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.580 -7.851 -6.413 1.00 10.00 H new ATOM 0 HB VAL A 4 -5.467 -5.438 -4.631 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.797 -4.398 -6.477 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -5.201 -4.940 -7.047 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.651 -5.904 -7.414 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.964 -5.578 -4.677 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.849 -7.112 -5.572 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -7.243 -7.008 -3.902 1.00 10.00 H new ATOM 57 N THR A 5 -3.235 -7.763 -7.129 1.00 10.00 N ATOM 58 CA THR A 5 -1.902 -7.712 -7.736 1.00 10.00 C ATOM 59 C THR A 5 -1.928 -6.934 -9.062 1.00 10.00 C ATOM 60 O THR A 5 -2.630 -7.311 -9.994 1.00 10.00 O ATOM 61 CB THR A 5 -1.389 -9.157 -7.869 1.00 10.00 C ATOM 62 OG1 THR A 5 -1.048 -9.629 -6.586 1.00 10.00 O ATOM 63 CG2 THR A 5 -0.126 -9.313 -8.699 1.00 10.00 C ATOM 0 H THR A 5 -3.824 -8.484 -7.547 1.00 10.00 H new ATOM 0 HA THR A 5 -1.203 -7.161 -7.106 1.00 10.00 H new ATOM 0 HB THR A 5 -2.195 -9.703 -8.360 1.00 10.00 H new ATOM 0 HG1 THR A 5 -0.720 -10.550 -6.653 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.158 -10.365 -8.735 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.309 -8.951 -9.711 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.680 -8.735 -8.247 1.00 10.00 H new ATOM 71 N TYR A 6 -1.199 -5.809 -9.114 1.00 10.00 N ATOM 72 CA TYR A 6 -1.345 -4.770 -10.142 1.00 10.00 C ATOM 73 C TYR A 6 -0.724 -5.097 -11.510 1.00 10.00 C ATOM 74 O TYR A 6 -1.360 -4.882 -12.536 1.00 10.00 O ATOM 75 CB TYR A 6 -0.806 -3.434 -9.596 1.00 10.00 C ATOM 76 CG TYR A 6 -1.864 -2.611 -8.879 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.665 -3.204 -7.883 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.114 -1.281 -9.267 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.677 -2.459 -7.253 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.105 -0.529 -8.613 1.00 10.00 C ATOM 81 CZ TYR A 6 -3.881 -1.118 -7.602 1.00 10.00 C ATOM 82 OH TYR A 6 -4.813 -0.379 -6.945 1.00 10.00 O ATOM 0 H TYR A 6 -0.476 -5.593 -8.427 1.00 10.00 H new ATOM 0 HA TYR A 6 -2.413 -4.704 -10.348 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.016 -3.635 -8.909 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.397 -2.850 -10.421 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.501 -4.234 -7.603 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.543 -0.837 -10.069 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.298 -2.921 -6.499 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.270 0.502 -8.888 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.286 0.194 -7.584 1.00 10.00 H new ATOM 92 N GLU A 7 0.528 -5.559 -11.520 1.00 10.00 N ATOM 93 CA GLU A 7 1.211 -6.045 -12.723 1.00 10.00 C ATOM 94 C GLU A 7 1.562 -4.916 -13.707 1.00 10.00 C ATOM 95 O GLU A 7 1.035 -4.816 -14.812 1.00 10.00 O ATOM 96 CB GLU A 7 0.453 -7.237 -13.330 1.00 10.00 C ATOM 97 CG GLU A 7 0.060 -8.222 -12.215 1.00 10.00 C ATOM 98 CD GLU A 7 0.332 -9.681 -12.544 1.00 10.00 C ATOM 99 OE1 GLU A 7 -0.318 -10.200 -13.474 1.00 10.00 O ATOM 100 OE2 GLU A 7 1.196 -10.242 -11.833 1.00 10.00 O ATOM 0 H GLU A 7 1.105 -5.607 -10.681 1.00 10.00 H new ATOM 0 HA GLU A 7 2.188 -6.433 -12.437 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -0.438 -6.887 -13.850 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.077 -7.739 -14.069 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.602 -7.959 -11.307 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -1.002 -8.102 -11.998 1.00 10.00 H new ATOM 107 N ASN A 8 2.501 -4.077 -13.263 1.00 10.00 N ATOM 108 CA ASN A 8 3.033 -2.906 -13.959 1.00 10.00 C ATOM 109 C ASN A 8 4.489 -3.134 -14.388 1.00 10.00 C ATOM 110 O ASN A 8 5.103 -4.144 -14.033 1.00 10.00 O ATOM 111 CB ASN A 8 2.941 -1.715 -13.002 1.00 10.00 C ATOM 112 CG ASN A 8 3.873 -1.933 -11.816 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.061 -1.635 -11.875 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.383 -2.563 -10.758 1.00 10.00 N ATOM 0 H ASN A 8 2.937 -4.207 -12.350 1.00 10.00 H new ATOM 0 HA ASN A 8 2.455 -2.718 -14.864 1.00 10.00 H new ATOM 0 HB2 ASN A 8 3.210 -0.796 -13.523 1.00 10.00 H new ATOM 0 HB3 ASN A 8 1.915 -1.595 -12.653 1.00 10.00 H new ATOM 0 HD21 ASN A 8 3.996 -2.806 -9.980 1.00 10.00 H new ATOM 0 HD22 ASN A 8 2.393 -2.805 -10.722 1.00 10.00 H new ATOM 121 N ALA A 9 5.072 -2.175 -15.108 1.00 10.00 N ATOM 122 CA ALA A 9 6.394 -2.372 -15.698 1.00 10.00 C ATOM 123 C ALA A 9 7.528 -2.536 -14.673 1.00 10.00 C ATOM 124 O ALA A 9 8.552 -3.140 -14.987 1.00 10.00 O ATOM 125 CB ALA A 9 6.680 -1.215 -16.646 1.00 10.00 C ATOM 0 H ALA A 9 4.654 -1.264 -15.295 1.00 10.00 H new ATOM 0 HA ALA A 9 6.369 -3.319 -16.237 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.664 -1.347 -17.095 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.923 -1.192 -17.430 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.657 -0.277 -16.092 1.00 10.00 H new ATOM 131 N ALA A 10 7.366 -2.010 -13.455 1.00 10.00 N ATOM 132 CA ALA A 10 8.395 -2.045 -12.419 1.00 10.00 C ATOM 133 C ALA A 10 8.300 -3.271 -11.495 1.00 10.00 C ATOM 134 O ALA A 10 8.981 -3.301 -10.473 1.00 10.00 O ATOM 135 CB ALA A 10 8.314 -0.741 -11.618 1.00 10.00 C ATOM 0 H ALA A 10 6.508 -1.544 -13.161 1.00 10.00 H new ATOM 0 HA ALA A 10 9.364 -2.137 -12.909 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.075 -0.746 -10.837 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.482 0.106 -12.283 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.328 -0.654 -11.163 1.00 10.00 H new ATOM 141 N GLY A 11 7.465 -4.266 -11.824 1.00 10.00 N ATOM 142 CA GLY A 11 7.198 -5.411 -10.941 1.00 10.00 C ATOM 143 C GLY A 11 5.811 -5.300 -10.305 1.00 10.00 C ATOM 144 O GLY A 11 5.378 -4.214 -9.917 1.00 10.00 O ATOM 0 H GLY A 11 6.956 -4.301 -12.707 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.268 -6.338 -11.510 1.00 10.00 H new ATOM 0 HA3 GLY A 11 7.957 -5.458 -10.160 1.00 10.00 H new ATOM 148 N ASN A 12 5.096 -6.421 -10.173 1.00 10.00 N ATOM 149 CA ASN A 12 3.809 -6.409 -9.486 1.00 10.00 C ATOM 150 C ASN A 12 4.005 -6.149 -7.992 1.00 10.00 C ATOM 151 O ASN A 12 5.107 -6.299 -7.467 1.00 10.00 O ATOM 152 CB ASN A 12 2.944 -7.634 -9.816 1.00 10.00 C ATOM 153 CG ASN A 12 3.426 -8.967 -9.255 1.00 10.00 C ATOM 154 OD1 ASN A 12 4.241 -9.021 -8.349 1.00 10.00 O ATOM 155 ND2 ASN A 12 2.937 -10.074 -9.788 1.00 10.00 N ATOM 0 H ASN A 12 5.384 -7.333 -10.528 1.00 10.00 H new ATOM 0 HA ASN A 12 3.222 -5.574 -9.868 1.00 10.00 H new ATOM 0 HB2 ASN A 12 1.935 -7.451 -9.446 1.00 10.00 H new ATOM 0 HB3 ASN A 12 2.875 -7.723 -10.900 1.00 10.00 H new ATOM 0 HD21 ASN A 12 3.241 -10.984 -9.442 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.256 -10.018 -10.545 1.00 10.00 H new ATOM 162 N VAL A 13 2.951 -5.659 -7.341 1.00 10.00 N ATOM 163 CA VAL A 13 3.055 -5.050 -6.019 1.00 10.00 C ATOM 164 C VAL A 13 2.322 -5.836 -4.924 1.00 10.00 C ATOM 165 O VAL A 13 2.750 -5.837 -3.775 1.00 10.00 O ATOM 166 CB VAL A 13 2.567 -3.599 -6.139 1.00 10.00 C ATOM 167 CG1 VAL A 13 1.036 -3.505 -6.170 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.149 -2.791 -4.985 1.00 10.00 C ATOM 0 H VAL A 13 2.003 -5.674 -7.716 1.00 10.00 H new ATOM 0 HA VAL A 13 4.095 -5.068 -5.694 1.00 10.00 H new ATOM 0 HB VAL A 13 2.914 -3.188 -7.087 1.00 10.00 H new ATOM 0 HG11 VAL A 13 0.737 -2.460 -6.256 1.00 10.00 H new ATOM 0 HG12 VAL A 13 0.654 -4.063 -7.025 1.00 10.00 H new ATOM 0 HG13 VAL A 13 0.627 -3.925 -5.251 1.00 10.00 H new ATOM 0 HG21 VAL A 13 2.811 -1.757 -5.057 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.816 -3.216 -4.038 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.238 -2.820 -5.033 1.00 10.00 H new ATOM 178 N THR A 14 1.205 -6.478 -5.281 1.00 10.00 N ATOM 179 CA THR A 14 0.358 -7.262 -4.391 1.00 10.00 C ATOM 180 C THR A 14 -0.161 -6.463 -3.195 1.00 10.00 C ATOM 181 O THR A 14 0.437 -6.427 -2.127 1.00 10.00 O ATOM 182 CB THR A 14 1.060 -8.566 -4.003 1.00 10.00 C ATOM 183 OG1 THR A 14 1.280 -9.303 -5.189 1.00 10.00 O ATOM 184 CG2 THR A 14 0.191 -9.442 -3.099 1.00 10.00 C ATOM 0 H THR A 14 0.856 -6.462 -6.239 1.00 10.00 H new ATOM 0 HA THR A 14 -0.545 -7.531 -4.939 1.00 10.00 H new ATOM 0 HB THR A 14 1.978 -8.311 -3.474 1.00 10.00 H new ATOM 0 HG1 THR A 14 0.422 -9.477 -5.630 1.00 10.00 H new ATOM 0 HG21 THR A 14 0.731 -10.356 -2.850 1.00 10.00 H new ATOM 0 HG22 THR A 14 -0.045 -8.899 -2.184 1.00 10.00 H new ATOM 0 HG23 THR A 14 -0.733 -9.696 -3.618 1.00 10.00 H new ATOM 192 N PHE A 15 -1.340 -5.865 -3.367 1.00 10.00 N ATOM 193 CA PHE A 15 -2.144 -5.419 -2.234 1.00 10.00 C ATOM 194 C PHE A 15 -2.775 -6.636 -1.555 1.00 10.00 C ATOM 195 O PHE A 15 -3.782 -7.162 -2.040 1.00 10.00 O ATOM 196 CB PHE A 15 -3.245 -4.474 -2.707 1.00 10.00 C ATOM 197 CG PHE A 15 -2.775 -3.101 -3.110 1.00 10.00 C ATOM 198 CD1 PHE A 15 -2.162 -2.904 -4.360 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.033 -2.008 -2.268 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.846 -1.606 -4.787 1.00 10.00 C ATOM 201 CE2 PHE A 15 -2.723 -0.712 -2.701 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.179 -0.511 -3.979 1.00 10.00 C ATOM 0 H PHE A 15 -1.757 -5.679 -4.279 1.00 10.00 H new ATOM 0 HA PHE A 15 -1.504 -4.890 -1.528 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.755 -4.930 -3.555 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.981 -4.370 -1.910 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -1.935 -3.751 -4.990 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -3.468 -2.165 -1.292 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -1.349 -1.451 -5.733 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -2.903 0.132 -2.052 1.00 10.00 H new ATOM 0 HZ PHE A 15 -2.016 0.493 -4.342 1.00 10.00 H new ATOM 212 N ASP A 16 -2.213 -7.075 -0.428 1.00 10.00 N ATOM 213 CA ASP A 16 -2.720 -8.211 0.324 1.00 10.00 C ATOM 214 C ASP A 16 -3.939 -7.720 1.115 1.00 10.00 C ATOM 215 O ASP A 16 -3.874 -7.500 2.326 1.00 10.00 O ATOM 216 CB ASP A 16 -1.615 -8.808 1.218 1.00 10.00 C ATOM 217 CG ASP A 16 -0.208 -8.460 0.787 1.00 10.00 C ATOM 218 OD1 ASP A 16 0.077 -7.248 0.899 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.525 -9.383 0.379 1.00 10.00 O ATOM 0 H ASP A 16 -1.387 -6.645 -0.013 1.00 10.00 H new ATOM 0 HA ASP A 16 -3.028 -9.024 -0.334 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.765 -8.462 2.241 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -1.721 -9.893 1.230 1.00 10.00 H new ATOM 224 N HIS A 17 -5.039 -7.480 0.400 1.00 10.00 N ATOM 225 CA HIS A 17 -6.221 -6.801 0.907 1.00 10.00 C ATOM 226 C HIS A 17 -6.680 -7.455 2.209 1.00 10.00 C ATOM 227 O HIS A 17 -7.012 -6.774 3.177 1.00 10.00 O ATOM 228 CB HIS A 17 -7.327 -6.826 -0.159 1.00 10.00 C ATOM 229 CG HIS A 17 -7.993 -5.495 -0.365 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.221 -4.877 -1.572 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.379 -4.629 0.621 1.00 10.00 C ATOM 232 CE1 HIS A 17 -8.734 -3.671 -1.301 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.823 -3.445 0.023 1.00 10.00 N ATOM 0 H HIS A 17 -5.130 -7.763 -0.576 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.984 -5.760 1.124 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.901 -7.160 -1.105 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -8.080 -7.560 0.128 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -8.035 -5.264 -2.497 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -8.346 -4.826 1.682 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -9.041 -2.962 -2.056 1.00 10.00 H new ATOM 241 N LYS A 18 -6.623 -8.789 2.226 1.00 10.00 N ATOM 242 CA LYS A 18 -6.779 -9.580 3.429 1.00 10.00 C ATOM 243 C LYS A 18 -5.546 -9.511 4.349 1.00 10.00 C ATOM 244 O LYS A 18 -5.653 -8.995 5.453 1.00 10.00 O ATOM 245 CB LYS A 18 -7.159 -11.013 3.044 1.00 10.00 C ATOM 246 CG LYS A 18 -7.633 -11.742 4.308 1.00 10.00 C ATOM 247 CD LYS A 18 -8.276 -13.106 4.027 1.00 10.00 C ATOM 248 CE LYS A 18 -8.333 -13.948 5.314 1.00 10.00 C ATOM 249 NZ LYS A 18 -9.043 -13.265 6.419 1.00 10.00 N ATOM 0 H LYS A 18 -6.465 -9.349 1.388 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.589 -9.157 4.023 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -7.947 -11.008 2.291 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -6.304 -11.528 2.607 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -6.784 -11.881 4.977 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -8.352 -11.112 4.832 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -9.282 -12.966 3.632 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -7.704 -13.634 3.264 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -8.829 -14.895 5.101 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -7.318 -14.184 5.633 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.708 -13.638 7.330 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -8.855 -12.243 6.373 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -10.066 -13.433 6.331 1.00 10.00 H new ATOM 263 N ALA A 19 -4.386 -10.048 3.950 1.00 10.00 N ATOM 264 CA ALA A 19 -3.262 -10.278 4.868 1.00 10.00 C ATOM 265 C ALA A 19 -2.804 -9.017 5.609 1.00 10.00 C ATOM 266 O ALA A 19 -2.530 -9.076 6.807 1.00 10.00 O ATOM 267 CB ALA A 19 -2.084 -10.909 4.130 1.00 10.00 C ATOM 0 H ALA A 19 -4.200 -10.334 2.989 1.00 10.00 H new ATOM 0 HA ALA A 19 -3.633 -10.966 5.627 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -1.262 -11.071 4.828 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -2.391 -11.864 3.703 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.756 -10.243 3.332 1.00 10.00 H new ATOM 273 N HIS A 20 -2.753 -7.870 4.920 1.00 10.00 N ATOM 274 CA HIS A 20 -2.560 -6.598 5.605 1.00 10.00 C ATOM 275 C HIS A 20 -3.665 -6.410 6.663 1.00 10.00 C ATOM 276 O HIS A 20 -3.384 -6.243 7.849 1.00 10.00 O ATOM 277 CB HIS A 20 -2.564 -5.426 4.610 1.00 10.00 C ATOM 278 CG HIS A 20 -1.257 -5.054 3.942 1.00 10.00 C ATOM 279 ND1 HIS A 20 -0.823 -5.479 2.706 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.411 -4.041 4.334 1.00 10.00 C ATOM 281 CE1 HIS A 20 0.247 -4.741 2.376 1.00 10.00 C ATOM 282 NE2 HIS A 20 0.555 -3.857 3.338 1.00 10.00 N ATOM 0 H HIS A 20 -2.842 -7.802 3.906 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.587 -6.611 6.097 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -3.286 -5.656 3.826 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.933 -4.545 5.134 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -1.240 -6.221 2.143 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.481 -3.482 5.255 1.00 10.00 H new ATOM 0 HE1 HIS A 20 0.794 -4.845 1.450 1.00 10.00 H new ATOM 290 N ALA A 21 -4.934 -6.460 6.240 1.00 10.00 N ATOM 291 CA ALA A 21 -6.098 -6.292 7.109 1.00 10.00 C ATOM 292 C ALA A 21 -6.104 -7.192 8.348 1.00 10.00 C ATOM 293 O ALA A 21 -6.435 -6.703 9.425 1.00 10.00 O ATOM 294 CB ALA A 21 -7.387 -6.498 6.325 1.00 10.00 C ATOM 0 H ALA A 21 -5.182 -6.622 5.264 1.00 10.00 H new ATOM 0 HA ALA A 21 -6.031 -5.268 7.476 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -8.241 -6.369 6.989 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.442 -5.768 5.517 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -7.402 -7.504 5.907 1.00 10.00 H new ATOM 300 N GLU A 22 -5.736 -8.473 8.215 1.00 10.00 N ATOM 301 CA GLU A 22 -5.644 -9.413 9.335 1.00 10.00 C ATOM 302 C GLU A 22 -4.908 -8.803 10.543 1.00 10.00 C ATOM 303 O GLU A 22 -5.276 -9.054 11.689 1.00 10.00 O ATOM 304 CB GLU A 22 -4.939 -10.709 8.897 1.00 10.00 C ATOM 305 CG GLU A 22 -5.579 -11.487 7.735 1.00 10.00 C ATOM 306 CD GLU A 22 -7.046 -11.844 7.889 1.00 10.00 C ATOM 307 OE1 GLU A 22 -7.355 -12.965 8.350 1.00 10.00 O ATOM 308 OE2 GLU A 22 -7.886 -11.120 7.311 1.00 10.00 O ATOM 0 H GLU A 22 -5.492 -8.888 7.316 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.664 -9.641 9.644 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.915 -10.461 8.617 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.882 -11.373 9.760 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.464 -10.898 6.825 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -5.016 -12.409 7.590 1.00 10.00 H new ATOM 315 N LYS A 23 -3.864 -8.004 10.284 1.00 10.00 N ATOM 316 CA LYS A 23 -3.117 -7.265 11.295 1.00 10.00 C ATOM 317 C LYS A 23 -3.637 -5.826 11.472 1.00 10.00 C ATOM 318 O LYS A 23 -3.758 -5.343 12.594 1.00 10.00 O ATOM 319 CB LYS A 23 -1.639 -7.287 10.889 1.00 10.00 C ATOM 320 CG LYS A 23 -1.030 -8.669 11.161 1.00 10.00 C ATOM 321 CD LYS A 23 0.429 -8.718 10.693 1.00 10.00 C ATOM 322 CE LYS A 23 1.139 -9.957 11.255 1.00 10.00 C ATOM 323 NZ LYS A 23 2.530 -10.032 10.763 1.00 10.00 N ATOM 0 H LYS A 23 -3.511 -7.854 9.339 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.249 -7.741 12.267 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.542 -7.042 9.831 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.091 -6.526 11.444 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -1.083 -8.892 12.227 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.609 -9.435 10.645 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.466 -8.735 9.604 1.00 10.00 H new ATOM 0 HD3 LYS A 23 0.950 -7.817 11.016 1.00 10.00 H new ATOM 0 HE2 LYS A 23 1.135 -9.921 12.344 1.00 10.00 H new ATOM 0 HE3 LYS A 23 0.596 -10.856 10.964 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 3.061 -10.726 11.327 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 2.530 -10.324 9.765 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 2.980 -9.098 10.850 1.00 10.00 H new ATOM 337 N LEU A 24 -3.908 -5.127 10.367 1.00 10.00 N ATOM 338 CA LEU A 24 -4.239 -3.704 10.345 1.00 10.00 C ATOM 339 C LEU A 24 -5.672 -3.360 10.796 1.00 10.00 C ATOM 340 O LEU A 24 -5.840 -2.435 11.580 1.00 10.00 O ATOM 341 CB LEU A 24 -3.954 -3.148 8.946 1.00 10.00 C ATOM 342 CG LEU A 24 -2.475 -3.088 8.525 1.00 10.00 C ATOM 343 CD1 LEU A 24 -2.381 -2.245 7.249 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.566 -2.455 9.585 1.00 10.00 C ATOM 0 H LEU A 24 -3.903 -5.549 9.438 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.602 -3.227 11.090 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.492 -3.757 8.220 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -4.368 -2.141 8.887 1.00 10.00 H new ATOM 0 HG LEU A 24 -2.135 -4.113 8.378 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -1.341 -2.186 6.928 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.978 -2.707 6.463 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.757 -1.241 7.447 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.538 -2.445 9.223 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.892 -1.434 9.781 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.621 -3.036 10.505 1.00 10.00 H new ATOM 356 N GLY A 25 -6.698 -4.063 10.297 1.00 10.00 N ATOM 357 CA GLY A 25 -8.099 -3.854 10.692 1.00 10.00 C ATOM 358 C GLY A 25 -8.942 -2.961 9.764 1.00 10.00 C ATOM 359 O GLY A 25 -9.931 -2.379 10.205 1.00 10.00 O ATOM 0 H GLY A 25 -6.578 -4.799 9.602 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.584 -4.828 10.763 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -8.112 -3.418 11.691 1.00 10.00 H new ATOM 363 N CYS A 26 -8.591 -2.889 8.473 1.00 10.00 N ATOM 364 CA CYS A 26 -9.208 -2.072 7.414 1.00 10.00 C ATOM 365 C CYS A 26 -9.009 -0.562 7.628 1.00 10.00 C ATOM 366 O CYS A 26 -8.443 0.115 6.767 1.00 10.00 O ATOM 367 CB CYS A 26 -10.678 -2.370 7.219 1.00 10.00 C ATOM 368 SG CYS A 26 -11.137 -4.124 7.074 1.00 10.00 S ATOM 0 H CYS A 26 -7.812 -3.440 8.113 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.680 -2.359 6.505 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.227 -1.942 8.057 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.015 -1.854 6.320 1.00 10.00 H new ATOM 373 N ASP A 27 -9.489 -0.043 8.761 1.00 10.00 N ATOM 374 CA ASP A 27 -9.424 1.345 9.204 1.00 10.00 C ATOM 375 C ASP A 27 -8.065 2.000 8.911 1.00 10.00 C ATOM 376 O ASP A 27 -8.002 3.078 8.323 1.00 10.00 O ATOM 377 CB ASP A 27 -9.816 1.396 10.692 1.00 10.00 C ATOM 378 CG ASP A 27 -8.858 0.679 11.639 1.00 10.00 C ATOM 379 OD1 ASP A 27 -8.077 -0.164 11.146 1.00 10.00 O ATOM 380 OD2 ASP A 27 -8.921 1.008 12.841 1.00 10.00 O ATOM 0 H ASP A 27 -9.969 -0.631 9.442 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.134 1.942 8.631 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -9.890 2.440 10.997 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -10.809 0.960 10.805 1.00 10.00 H new ATOM 385 N ALA A 28 -6.983 1.294 9.239 1.00 10.00 N ATOM 386 CA ALA A 28 -5.593 1.626 8.942 1.00 10.00 C ATOM 387 C ALA A 28 -5.352 2.182 7.526 1.00 10.00 C ATOM 388 O ALA A 28 -4.457 3.003 7.335 1.00 10.00 O ATOM 389 CB ALA A 28 -4.785 0.346 9.111 1.00 10.00 C ATOM 0 H ALA A 28 -7.062 0.417 9.754 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.294 2.422 9.624 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.735 0.548 8.898 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -4.885 -0.015 10.135 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.156 -0.412 8.421 1.00 10.00 H new ATOM 395 N CYS A 29 -6.113 1.706 6.533 1.00 10.00 N ATOM 396 CA CYS A 29 -6.025 2.144 5.140 1.00 10.00 C ATOM 397 C CYS A 29 -7.260 2.948 4.704 1.00 10.00 C ATOM 398 O CYS A 29 -7.316 3.437 3.578 1.00 10.00 O ATOM 399 CB CYS A 29 -5.909 0.930 4.258 1.00 10.00 C ATOM 400 SG CYS A 29 -4.294 0.084 4.360 1.00 10.00 S ATOM 0 H CYS A 29 -6.823 0.989 6.682 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.152 2.791 5.048 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.694 0.223 4.526 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.087 1.227 3.224 1.00 10.00 H new ATOM 405 N HIS A 30 -8.280 3.041 5.555 1.00 10.00 N ATOM 406 CA HIS A 30 -9.623 3.426 5.168 1.00 10.00 C ATOM 407 C HIS A 30 -10.344 4.181 6.288 1.00 10.00 C ATOM 408 O HIS A 30 -11.152 3.606 7.018 1.00 10.00 O ATOM 409 CB HIS A 30 -10.378 2.150 4.780 1.00 10.00 C ATOM 410 CG HIS A 30 -10.014 1.525 3.462 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.244 2.065 2.224 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.706 0.211 3.270 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.060 1.094 1.306 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.724 -0.063 1.892 1.00 10.00 N ATOM 0 H HIS A 30 -8.187 2.845 6.552 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.581 4.112 4.322 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.219 1.409 5.563 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.444 2.376 4.767 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -10.508 3.031 2.031 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.484 -0.503 4.050 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.169 1.231 0.240 1.00 10.00 H new ATOM 422 N GLU A 31 -10.114 5.491 6.366 1.00 10.00 N ATOM 423 CA GLU A 31 -10.732 6.337 7.368 1.00 10.00 C ATOM 424 C GLU A 31 -12.241 6.553 7.133 1.00 10.00 C ATOM 425 O GLU A 31 -12.674 7.622 6.709 1.00 10.00 O ATOM 426 CB GLU A 31 -9.966 7.660 7.437 1.00 10.00 C ATOM 427 CG GLU A 31 -8.532 7.474 7.954 1.00 10.00 C ATOM 428 CD GLU A 31 -7.823 8.811 8.128 1.00 10.00 C ATOM 429 OE1 GLU A 31 -7.270 9.291 7.116 1.00 10.00 O ATOM 430 OE2 GLU A 31 -7.867 9.330 9.264 1.00 10.00 O ATOM 0 H GLU A 31 -9.491 5.990 5.731 1.00 10.00 H new ATOM 0 HA GLU A 31 -10.670 5.829 8.331 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -9.937 8.113 6.446 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -10.498 8.353 8.089 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -8.554 6.946 8.907 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -7.971 6.851 7.257 1.00 10.00 H new ATOM 437 N GLY A 32 -13.048 5.531 7.431 1.00 10.00 N ATOM 438 CA GLY A 32 -14.508 5.573 7.384 1.00 10.00 C ATOM 439 C GLY A 32 -15.066 4.630 6.317 1.00 10.00 C ATOM 440 O GLY A 32 -15.163 3.427 6.543 1.00 10.00 O ATOM 0 H GLY A 32 -12.688 4.622 7.721 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.912 5.299 8.359 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -14.836 6.592 7.177 1.00 10.00 H new ATOM 444 N THR A 33 -15.450 5.159 5.152 1.00 10.00 N ATOM 445 CA THR A 33 -15.990 4.355 4.057 1.00 10.00 C ATOM 446 C THR A 33 -14.854 3.672 3.277 1.00 10.00 C ATOM 447 O THR A 33 -14.008 4.346 2.686 1.00 10.00 O ATOM 448 CB THR A 33 -16.842 5.230 3.127 1.00 10.00 C ATOM 449 OG1 THR A 33 -16.123 6.387 2.767 1.00 10.00 O ATOM 450 CG2 THR A 33 -18.136 5.677 3.807 1.00 10.00 C ATOM 0 H THR A 33 -15.395 6.156 4.943 1.00 10.00 H new ATOM 0 HA THR A 33 -16.627 3.576 4.476 1.00 10.00 H new ATOM 0 HB THR A 33 -17.083 4.630 2.250 1.00 10.00 H new ATOM 0 HG1 THR A 33 -15.199 6.144 2.550 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.714 6.294 3.119 1.00 10.00 H new ATOM 0 HG22 THR A 33 -18.721 4.801 4.087 1.00 10.00 H new ATOM 0 HG23 THR A 33 -17.897 6.255 4.700 1.00 10.00 H new ATOM 458 N PRO A 34 -14.793 2.331 3.245 1.00 10.00 N ATOM 459 CA PRO A 34 -13.663 1.618 2.670 1.00 10.00 C ATOM 460 C PRO A 34 -13.783 1.528 1.142 1.00 10.00 C ATOM 461 O PRO A 34 -13.880 0.444 0.581 1.00 10.00 O ATOM 462 CB PRO A 34 -13.702 0.253 3.358 1.00 10.00 C ATOM 463 CG PRO A 34 -15.207 0.009 3.474 1.00 10.00 C ATOM 464 CD PRO A 34 -15.723 1.393 3.856 1.00 10.00 C ATOM 0 HA PRO A 34 -12.708 2.118 2.833 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.206 -0.518 2.768 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -13.214 0.271 4.332 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.637 -0.342 2.536 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -15.442 -0.738 4.232 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.737 1.550 3.489 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.753 1.517 4.939 1.00 10.00 H new ATOM 472 N ALA A 35 -13.799 2.671 0.454 1.00 10.00 N ATOM 473 CA ALA A 35 -14.003 2.723 -0.993 1.00 10.00 C ATOM 474 C ALA A 35 -12.699 2.590 -1.795 1.00 10.00 C ATOM 475 O ALA A 35 -11.599 2.555 -1.243 1.00 10.00 O ATOM 476 CB ALA A 35 -14.752 4.015 -1.327 1.00 10.00 C ATOM 0 H ALA A 35 -13.671 3.586 0.885 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.599 1.860 -1.291 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.915 4.073 -2.403 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.714 4.021 -0.814 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -14.162 4.872 -1.002 1.00 10.00 H new ATOM 482 N LYS A 36 -12.826 2.513 -3.124 1.00 10.00 N ATOM 483 CA LYS A 36 -11.689 2.357 -4.024 1.00 10.00 C ATOM 484 C LYS A 36 -10.794 3.608 -4.080 1.00 10.00 C ATOM 485 O LYS A 36 -11.056 4.563 -4.808 1.00 10.00 O ATOM 486 CB LYS A 36 -12.145 1.841 -5.398 1.00 10.00 C ATOM 487 CG LYS A 36 -13.029 2.800 -6.210 1.00 10.00 C ATOM 488 CD LYS A 36 -13.562 2.081 -7.455 1.00 10.00 C ATOM 489 CE LYS A 36 -14.341 3.064 -8.341 1.00 10.00 C ATOM 490 NZ LYS A 36 -14.856 2.402 -9.559 1.00 10.00 N ATOM 0 H LYS A 36 -13.725 2.558 -3.603 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.037 1.587 -3.611 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.260 1.604 -5.989 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.690 0.909 -5.253 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -13.859 3.151 -5.598 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -12.455 3.679 -6.503 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -12.734 1.650 -8.018 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -14.209 1.256 -7.158 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -15.172 3.486 -7.775 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -13.693 3.894 -8.623 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -15.377 3.093 -10.136 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -14.060 2.021 -10.110 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -15.493 1.626 -9.289 1.00 10.00 H new ATOM 504 N ILE A 37 -9.717 3.594 -3.296 1.00 10.00 N ATOM 505 CA ILE A 37 -8.702 4.645 -3.282 1.00 10.00 C ATOM 506 C ILE A 37 -7.960 4.676 -4.627 1.00 10.00 C ATOM 507 O ILE A 37 -7.530 3.637 -5.125 1.00 10.00 O ATOM 508 CB ILE A 37 -7.737 4.400 -2.107 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.484 4.551 -0.768 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.536 5.359 -2.158 1.00 10.00 C ATOM 511 CD1 ILE A 37 -7.718 3.939 0.407 1.00 10.00 C ATOM 0 H ILE A 37 -9.522 2.837 -2.640 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.173 5.618 -3.144 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.355 3.383 -2.191 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -8.659 5.609 -0.571 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.462 4.076 -0.846 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -5.875 5.159 -1.315 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -5.991 5.210 -3.090 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -6.890 6.389 -2.106 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.291 4.074 1.325 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.566 2.875 0.228 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -6.751 4.432 0.507 1.00 10.00 H new ATOM 523 N ALA A 38 -7.776 5.859 -5.222 1.00 10.00 N ATOM 524 CA ALA A 38 -7.014 5.969 -6.461 1.00 10.00 C ATOM 525 C ALA A 38 -5.511 5.779 -6.232 1.00 10.00 C ATOM 526 O ALA A 38 -4.807 6.673 -5.761 1.00 10.00 O ATOM 527 CB ALA A 38 -7.295 7.288 -7.164 1.00 10.00 C ATOM 0 H ALA A 38 -8.142 6.743 -4.867 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.346 5.160 -7.111 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.713 7.341 -8.084 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.357 7.355 -7.402 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.017 8.115 -6.511 1.00 10.00 H new ATOM 533 N ILE A 39 -5.034 4.596 -6.599 1.00 10.00 N ATOM 534 CA ILE A 39 -3.631 4.203 -6.590 1.00 10.00 C ATOM 535 C ILE A 39 -2.991 4.483 -7.948 1.00 10.00 C ATOM 536 O ILE A 39 -3.621 4.309 -8.989 1.00 10.00 O ATOM 537 CB ILE A 39 -3.531 2.720 -6.217 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.051 2.497 -4.786 1.00 10.00 C ATOM 539 CG2 ILE A 39 -2.125 2.129 -6.425 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.286 3.234 -3.670 1.00 10.00 C ATOM 0 H ILE A 39 -5.645 3.848 -6.927 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.087 4.788 -5.849 1.00 10.00 H new ATOM 0 HB ILE A 39 -4.170 2.170 -6.908 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.096 2.804 -4.748 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.025 1.428 -4.573 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -2.127 1.077 -6.141 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.843 2.221 -7.474 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.408 2.670 -5.807 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -3.739 3.004 -2.706 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.245 2.911 -3.668 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.332 4.309 -3.846 1.00 10.00 H new ATOM 552 N ASP A 40 -1.731 4.912 -7.900 1.00 10.00 N ATOM 553 CA ASP A 40 -0.945 5.334 -9.042 1.00 10.00 C ATOM 554 C ASP A 40 0.481 5.645 -8.563 1.00 10.00 C ATOM 555 O ASP A 40 0.764 5.656 -7.357 1.00 10.00 O ATOM 556 CB ASP A 40 -1.672 6.540 -9.681 1.00 10.00 C ATOM 557 CG ASP A 40 -0.797 7.459 -10.504 1.00 10.00 C ATOM 558 OD1 ASP A 40 -0.252 6.977 -11.517 1.00 10.00 O ATOM 559 OD2 ASP A 40 -0.552 8.579 -10.014 1.00 10.00 O ATOM 0 H ASP A 40 -1.214 4.975 -7.023 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.851 4.564 -9.807 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.475 6.165 -10.316 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.139 7.124 -8.888 1.00 10.00 H new ATOM 564 N LYS A 41 1.347 5.948 -9.528 1.00 10.00 N ATOM 565 CA LYS A 41 2.709 6.407 -9.335 1.00 10.00 C ATOM 566 C LYS A 41 2.795 7.835 -8.755 1.00 10.00 C ATOM 567 O LYS A 41 3.898 8.326 -8.514 1.00 10.00 O ATOM 568 CB LYS A 41 3.558 6.184 -10.606 1.00 10.00 C ATOM 569 CG LYS A 41 2.910 6.537 -11.960 1.00 10.00 C ATOM 570 CD LYS A 41 2.168 5.330 -12.574 1.00 10.00 C ATOM 571 CE LYS A 41 1.756 5.490 -14.040 1.00 10.00 C ATOM 572 NZ LYS A 41 2.810 5.023 -14.970 1.00 10.00 N ATOM 0 H LYS A 41 1.098 5.874 -10.514 1.00 10.00 H new ATOM 0 HA LYS A 41 3.156 5.786 -8.559 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.473 6.768 -10.507 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.852 5.135 -10.636 1.00 10.00 H new ATOM 0 HG2 LYS A 41 2.211 7.362 -11.824 1.00 10.00 H new ATOM 0 HG3 LYS A 41 3.679 6.881 -12.652 1.00 10.00 H new ATOM 0 HD2 LYS A 41 2.806 4.450 -12.487 1.00 10.00 H new ATOM 0 HD3 LYS A 41 1.274 5.135 -11.982 1.00 10.00 H new ATOM 0 HE2 LYS A 41 0.839 4.929 -14.221 1.00 10.00 H new ATOM 0 HE3 LYS A 41 1.534 6.538 -14.241 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 2.548 5.273 -15.945 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 3.714 5.477 -14.727 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 2.909 3.991 -14.892 1.00 10.00 H new ATOM 586 N LYS A 42 1.661 8.478 -8.442 1.00 10.00 N ATOM 587 CA LYS A 42 1.577 9.530 -7.445 1.00 10.00 C ATOM 588 C LYS A 42 1.298 8.897 -6.075 1.00 10.00 C ATOM 589 O LYS A 42 2.174 8.876 -5.222 1.00 10.00 O ATOM 590 CB LYS A 42 0.484 10.534 -7.835 1.00 10.00 C ATOM 591 CG LYS A 42 0.830 11.247 -9.149 1.00 10.00 C ATOM 592 CD LYS A 42 -0.396 12.018 -9.647 1.00 10.00 C ATOM 593 CE LYS A 42 -0.059 12.751 -10.951 1.00 10.00 C ATOM 594 NZ LYS A 42 -1.245 13.440 -11.502 1.00 10.00 N ATOM 0 H LYS A 42 0.767 8.271 -8.888 1.00 10.00 H new ATOM 0 HA LYS A 42 2.520 10.074 -7.391 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -0.469 10.016 -7.939 1.00 10.00 H new ATOM 0 HB3 LYS A 42 0.362 11.270 -7.040 1.00 10.00 H new ATOM 0 HG2 LYS A 42 1.665 11.930 -8.996 1.00 10.00 H new ATOM 0 HG3 LYS A 42 1.145 10.520 -9.898 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -1.226 11.331 -9.810 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -0.718 12.734 -8.890 1.00 10.00 H new ATOM 0 HE2 LYS A 42 0.734 13.477 -10.768 1.00 10.00 H new ATOM 0 HE3 LYS A 42 0.323 12.039 -11.683 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -0.985 13.927 -12.384 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -1.992 12.743 -11.698 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -1.594 14.136 -10.812 1.00 10.00 H new ATOM 608 N SER A 43 0.087 8.389 -5.833 1.00 10.00 N ATOM 609 CA SER A 43 -0.428 8.113 -4.494 1.00 10.00 C ATOM 610 C SER A 43 0.490 7.216 -3.661 1.00 10.00 C ATOM 611 O SER A 43 0.880 7.566 -2.542 1.00 10.00 O ATOM 612 CB SER A 43 -1.834 7.516 -4.624 1.00 10.00 C ATOM 613 OG SER A 43 -2.581 8.282 -5.550 1.00 10.00 O ATOM 0 H SER A 43 -0.572 8.155 -6.575 1.00 10.00 H new ATOM 0 HA SER A 43 -0.470 9.055 -3.947 1.00 10.00 H new ATOM 0 HB2 SER A 43 -1.773 6.480 -4.957 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.331 7.510 -3.654 1.00 10.00 H new ATOM 0 HG SER A 43 -3.430 7.830 -5.739 1.00 10.00 H new ATOM 619 N ALA A 44 0.866 6.076 -4.246 1.00 10.00 N ATOM 620 CA ALA A 44 1.769 5.107 -3.626 1.00 10.00 C ATOM 621 C ALA A 44 3.129 5.731 -3.280 1.00 10.00 C ATOM 622 O ALA A 44 3.730 5.413 -2.253 1.00 10.00 O ATOM 623 CB ALA A 44 1.941 3.912 -4.568 1.00 10.00 C ATOM 0 H ALA A 44 0.547 5.798 -5.174 1.00 10.00 H new ATOM 0 HA ALA A 44 1.330 4.774 -2.686 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.613 3.184 -4.113 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.971 3.448 -4.748 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.361 4.252 -5.514 1.00 10.00 H new ATOM 629 N HIS A 45 3.600 6.630 -4.150 1.00 10.00 N ATOM 630 CA HIS A 45 4.893 7.301 -4.069 1.00 10.00 C ATOM 631 C HIS A 45 4.837 8.637 -3.307 1.00 10.00 C ATOM 632 O HIS A 45 5.876 9.182 -2.924 1.00 10.00 O ATOM 633 CB HIS A 45 5.383 7.560 -5.495 1.00 10.00 C ATOM 634 CG HIS A 45 5.449 6.359 -6.404 1.00 10.00 C ATOM 635 ND1 HIS A 45 5.626 6.434 -7.760 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.580 5.045 -6.045 1.00 10.00 C ATOM 637 CE1 HIS A 45 5.898 5.199 -8.207 1.00 10.00 C ATOM 638 NE2 HIS A 45 5.890 4.309 -7.199 1.00 10.00 N ATOM 0 H HIS A 45 3.062 6.920 -4.966 1.00 10.00 H new ATOM 0 HA HIS A 45 5.571 6.651 -3.515 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.728 8.301 -5.953 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.377 8.004 -5.441 1.00 10.00 H new ATOM 0 HD1 HIS A 45 5.562 7.278 -8.329 1.00 10.00 H new ATOM 0 HD2 HIS A 45 5.465 4.645 -5.049 1.00 10.00 H new ATOM 0 HE1 HIS A 45 6.097 4.952 -9.239 1.00 10.00 H new ATOM 646 N LYS A 46 3.635 9.153 -3.039 1.00 10.00 N ATOM 647 CA LYS A 46 3.405 10.413 -2.340 1.00 10.00 C ATOM 648 C LYS A 46 3.444 10.152 -0.845 1.00 10.00 C ATOM 649 O LYS A 46 4.331 10.661 -0.158 1.00 10.00 O ATOM 650 CB LYS A 46 2.050 11.032 -2.724 1.00 10.00 C ATOM 651 CG LYS A 46 2.168 11.988 -3.918 1.00 10.00 C ATOM 652 CD LYS A 46 0.833 12.689 -4.231 1.00 10.00 C ATOM 653 CE LYS A 46 0.607 14.012 -3.476 1.00 10.00 C ATOM 654 NZ LYS A 46 0.464 13.839 -2.015 1.00 10.00 N ATOM 0 H LYS A 46 2.769 8.688 -3.313 1.00 10.00 H new ATOM 0 HA LYS A 46 4.184 11.120 -2.626 1.00 10.00 H new ATOM 0 HB2 LYS A 46 1.345 10.237 -2.965 1.00 10.00 H new ATOM 0 HB3 LYS A 46 1.643 11.570 -1.868 1.00 10.00 H new ATOM 0 HG2 LYS A 46 2.931 12.738 -3.708 1.00 10.00 H new ATOM 0 HG3 LYS A 46 2.500 11.433 -4.795 1.00 10.00 H new ATOM 0 HD2 LYS A 46 0.784 12.885 -5.302 1.00 10.00 H new ATOM 0 HD3 LYS A 46 0.016 12.007 -3.994 1.00 10.00 H new ATOM 0 HE2 LYS A 46 1.443 14.682 -3.675 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -0.289 14.496 -3.866 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 0.006 14.680 -1.609 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -0.118 12.999 -1.820 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 1.404 13.716 -1.586 1.00 10.00 H new ATOM 668 N ASP A 47 2.525 9.303 -0.380 1.00 10.00 N ATOM 669 CA ASP A 47 2.385 9.000 1.035 1.00 10.00 C ATOM 670 C ASP A 47 1.712 7.642 1.303 1.00 10.00 C ATOM 671 O ASP A 47 2.240 6.856 2.094 1.00 10.00 O ATOM 672 CB ASP A 47 1.640 10.160 1.702 1.00 10.00 C ATOM 673 CG ASP A 47 1.708 10.012 3.208 1.00 10.00 C ATOM 674 OD1 ASP A 47 2.720 10.485 3.768 1.00 10.00 O ATOM 675 OD2 ASP A 47 0.787 9.374 3.752 1.00 10.00 O ATOM 0 H ASP A 47 1.861 8.810 -0.977 1.00 10.00 H new ATOM 0 HA ASP A 47 3.379 8.900 1.472 1.00 10.00 H new ATOM 0 HB2 ASP A 47 2.081 11.110 1.400 1.00 10.00 H new ATOM 0 HB3 ASP A 47 0.600 10.173 1.375 1.00 10.00 H new ATOM 680 N ALA A 48 0.585 7.365 0.618 1.00 10.00 N ATOM 681 CA ALA A 48 -0.446 6.400 1.013 1.00 10.00 C ATOM 682 C ALA A 48 0.079 5.135 1.700 1.00 10.00 C ATOM 683 O ALA A 48 -0.396 4.735 2.760 1.00 10.00 O ATOM 684 CB ALA A 48 -1.269 6.044 -0.232 1.00 10.00 C ATOM 0 H ALA A 48 0.364 7.830 -0.262 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.059 6.881 1.775 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.044 5.326 0.037 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.733 6.946 -0.632 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.616 5.607 -0.987 1.00 10.00 H new ATOM 690 N CYS A 49 1.056 4.499 1.058 1.00 10.00 N ATOM 691 CA CYS A 49 1.638 3.237 1.490 1.00 10.00 C ATOM 692 C CYS A 49 3.037 3.420 2.052 1.00 10.00 C ATOM 693 O CYS A 49 3.347 2.954 3.153 1.00 10.00 O ATOM 694 CB CYS A 49 1.639 2.304 0.320 1.00 10.00 C ATOM 695 SG CYS A 49 -0.098 2.018 -0.091 1.00 10.00 S ATOM 0 H CYS A 49 1.474 4.859 0.200 1.00 10.00 H new ATOM 0 HA CYS A 49 1.041 2.820 2.301 1.00 10.00 H new ATOM 0 HB2 CYS A 49 2.173 2.738 -0.525 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.141 1.368 0.567 1.00 10.00 H new ATOM 700 N LYS A 50 3.891 4.102 1.286 1.00 10.00 N ATOM 701 CA LYS A 50 5.264 4.364 1.679 1.00 10.00 C ATOM 702 C LYS A 50 5.400 4.862 3.124 1.00 10.00 C ATOM 703 O LYS A 50 6.276 4.384 3.836 1.00 10.00 O ATOM 704 CB LYS A 50 5.905 5.324 0.680 1.00 10.00 C ATOM 705 CG LYS A 50 5.126 6.633 0.578 1.00 10.00 C ATOM 706 CD LYS A 50 5.785 7.568 -0.421 1.00 10.00 C ATOM 707 CE LYS A 50 6.841 8.492 0.193 1.00 10.00 C ATOM 708 NZ LYS A 50 6.846 9.789 -0.516 1.00 10.00 N ATOM 0 H LYS A 50 3.643 4.486 0.374 1.00 10.00 H new ATOM 0 HA LYS A 50 5.800 3.415 1.659 1.00 10.00 H new ATOM 0 HB2 LYS A 50 6.931 5.533 0.983 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.952 4.851 -0.301 1.00 10.00 H new ATOM 0 HG2 LYS A 50 4.100 6.429 0.272 1.00 10.00 H new ATOM 0 HG3 LYS A 50 5.078 7.112 1.556 1.00 10.00 H new ATOM 0 HD2 LYS A 50 6.250 6.973 -1.207 1.00 10.00 H new ATOM 0 HD3 LYS A 50 5.016 8.177 -0.895 1.00 10.00 H new ATOM 0 HE2 LYS A 50 6.631 8.647 1.251 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.825 8.028 0.128 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 7.736 10.289 -0.318 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 6.761 9.625 -1.540 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 6.045 10.366 -0.190 1.00 10.00 H new ATOM 722 N THR A 51 4.563 5.803 3.571 1.00 10.00 N ATOM 723 CA THR A 51 4.746 6.447 4.873 1.00 10.00 C ATOM 724 C THR A 51 4.440 5.490 6.029 1.00 10.00 C ATOM 725 O THR A 51 5.247 5.369 6.955 1.00 10.00 O ATOM 726 CB THR A 51 3.968 7.766 4.918 1.00 10.00 C ATOM 727 OG1 THR A 51 4.547 8.612 3.946 1.00 10.00 O ATOM 728 CG2 THR A 51 4.088 8.470 6.271 1.00 10.00 C ATOM 0 H THR A 51 3.752 6.135 3.049 1.00 10.00 H new ATOM 0 HA THR A 51 5.797 6.704 5.006 1.00 10.00 H new ATOM 0 HB THR A 51 2.913 7.556 4.741 1.00 10.00 H new ATOM 0 HG1 THR A 51 4.027 9.440 3.882 1.00 10.00 H new ATOM 0 HG21 THR A 51 3.519 9.399 6.249 1.00 10.00 H new ATOM 0 HG22 THR A 51 3.695 7.822 7.054 1.00 10.00 H new ATOM 0 HG23 THR A 51 5.136 8.691 6.474 1.00 10.00 H new ATOM 736 N CYS A 52 3.340 4.732 5.946 1.00 10.00 N ATOM 737 CA CYS A 52 3.118 3.602 6.857 1.00 10.00 C ATOM 738 C CYS A 52 4.313 2.640 6.819 1.00 10.00 C ATOM 739 O CYS A 52 4.884 2.297 7.852 1.00 10.00 O ATOM 740 CB CYS A 52 1.830 2.894 6.528 1.00 10.00 C ATOM 741 SG CYS A 52 1.526 1.608 7.778 1.00 10.00 S ATOM 0 H CYS A 52 2.596 4.878 5.264 1.00 10.00 H new ATOM 0 HA CYS A 52 3.030 3.987 7.873 1.00 10.00 H new ATOM 0 HB2 CYS A 52 1.004 3.605 6.510 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.888 2.448 5.535 1.00 10.00 H new ATOM 746 N HIS A 53 4.767 2.282 5.613 1.00 10.00 N ATOM 747 CA HIS A 53 5.982 1.495 5.434 1.00 10.00 C ATOM 748 C HIS A 53 7.271 2.149 5.967 1.00 10.00 C ATOM 749 O HIS A 53 8.298 1.476 6.025 1.00 10.00 O ATOM 750 CB HIS A 53 6.142 1.153 3.952 1.00 10.00 C ATOM 751 CG HIS A 53 5.427 -0.105 3.585 1.00 10.00 C ATOM 752 ND1 HIS A 53 6.010 -1.341 3.613 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.076 -0.287 3.488 1.00 10.00 C ATOM 754 CE1 HIS A 53 5.033 -2.249 3.526 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.829 -1.670 3.433 1.00 10.00 N ATOM 0 H HIS A 53 4.302 2.531 4.740 1.00 10.00 H new ATOM 0 HA HIS A 53 5.851 0.598 6.040 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.760 1.976 3.347 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.201 1.049 3.717 1.00 10.00 H new ATOM 0 HD1 HIS A 53 7.009 -1.535 3.687 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.330 0.493 3.459 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.194 -3.317 3.530 1.00 10.00 H new ATOM 763 N LYS A 54 7.271 3.435 6.330 1.00 10.00 N ATOM 764 CA LYS A 54 8.384 4.023 7.028 1.00 10.00 C ATOM 765 C LYS A 54 8.163 3.832 8.518 1.00 10.00 C ATOM 766 O LYS A 54 9.018 3.242 9.177 1.00 10.00 O ATOM 767 CB LYS A 54 8.550 5.491 6.668 1.00 10.00 C ATOM 768 CG LYS A 54 8.914 5.622 5.198 1.00 10.00 C ATOM 769 CD LYS A 54 9.848 6.821 5.054 1.00 10.00 C ATOM 770 CE LYS A 54 10.092 7.187 3.588 1.00 10.00 C ATOM 771 NZ LYS A 54 11.431 7.785 3.408 1.00 10.00 N ATOM 0 H LYS A 54 6.502 4.079 6.144 1.00 10.00 H new ATOM 0 HA LYS A 54 9.310 3.530 6.731 1.00 10.00 H new ATOM 0 HB2 LYS A 54 7.626 6.032 6.873 1.00 10.00 H new ATOM 0 HB3 LYS A 54 9.327 5.941 7.286 1.00 10.00 H new ATOM 0 HG2 LYS A 54 9.401 4.714 4.842 1.00 10.00 H new ATOM 0 HG3 LYS A 54 8.018 5.761 4.593 1.00 10.00 H new ATOM 0 HD2 LYS A 54 9.421 7.678 5.575 1.00 10.00 H new ATOM 0 HD3 LYS A 54 10.800 6.598 5.535 1.00 10.00 H new ATOM 0 HE2 LYS A 54 10.001 6.296 2.967 1.00 10.00 H new ATOM 0 HE3 LYS A 54 9.328 7.889 3.253 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 11.352 8.645 2.828 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 11.830 8.029 4.337 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 12.055 7.102 2.932 1.00 10.00 H new ATOM 785 N SER A 55 7.064 4.398 9.042 1.00 10.00 N ATOM 786 CA SER A 55 6.756 4.597 10.464 1.00 10.00 C ATOM 787 C SER A 55 7.712 5.623 11.091 1.00 10.00 C ATOM 788 O SER A 55 7.310 6.613 11.697 1.00 10.00 O ATOM 789 CB SER A 55 6.727 3.260 11.214 1.00 10.00 C ATOM 790 OG SER A 55 6.352 3.492 12.558 1.00 10.00 O ATOM 0 H SER A 55 6.319 4.752 8.442 1.00 10.00 H new ATOM 0 HA SER A 55 5.753 5.016 10.552 1.00 10.00 H new ATOM 0 HB2 SER A 55 6.022 2.578 10.739 1.00 10.00 H new ATOM 0 HB3 SER A 55 7.707 2.785 11.174 1.00 10.00 H new ATOM 0 HG SER A 55 6.330 2.641 13.043 1.00 10.00 H new ATOM 796 N ASN A 56 9.004 5.401 10.860 1.00 10.00 N ATOM 797 CA ASN A 56 10.111 6.327 11.025 1.00 10.00 C ATOM 798 C ASN A 56 11.124 6.049 9.902 1.00 10.00 C ATOM 799 O ASN A 56 11.274 6.856 8.989 1.00 10.00 O ATOM 800 CB ASN A 56 10.706 6.143 12.429 1.00 10.00 C ATOM 801 CG ASN A 56 10.420 7.320 13.356 1.00 10.00 C ATOM 802 OD1 ASN A 56 11.329 7.882 13.950 1.00 10.00 O ATOM 803 ND2 ASN A 56 9.164 7.717 13.500 1.00 10.00 N ATOM 0 H ASN A 56 9.325 4.493 10.525 1.00 10.00 H new ATOM 0 HA ASN A 56 9.796 7.368 10.947 1.00 10.00 H new ATOM 0 HB2 ASN A 56 10.303 5.232 12.872 1.00 10.00 H new ATOM 0 HB3 ASN A 56 11.784 6.007 12.346 1.00 10.00 H new ATOM 0 HD21 ASN A 56 8.944 8.502 14.113 1.00 10.00 H new ATOM 0 HD22 ASN A 56 8.417 7.238 12.998 1.00 10.00 H new ATOM 810 N ASN A 57 11.777 4.877 9.939 1.00 10.00 N ATOM 811 CA ASN A 57 12.744 4.446 8.925 1.00 10.00 C ATOM 812 C ASN A 57 12.701 2.928 8.669 1.00 10.00 C ATOM 813 O ASN A 57 13.701 2.235 8.836 1.00 10.00 O ATOM 814 CB ASN A 57 14.157 4.916 9.311 1.00 10.00 C ATOM 815 CG ASN A 57 14.301 6.432 9.257 1.00 10.00 C ATOM 816 OD1 ASN A 57 14.428 7.014 8.187 1.00 10.00 O ATOM 817 ND2 ASN A 57 14.299 7.097 10.404 1.00 10.00 N ATOM 0 H ASN A 57 11.644 4.195 10.686 1.00 10.00 H new ATOM 0 HA ASN A 57 12.463 4.915 7.982 1.00 10.00 H new ATOM 0 HB2 ASN A 57 14.391 4.567 10.317 1.00 10.00 H new ATOM 0 HB3 ASN A 57 14.884 4.461 8.639 1.00 10.00 H new ATOM 0 HD21 ASN A 57 14.404 8.112 10.405 1.00 10.00 H new ATOM 0 HD22 ASN A 57 14.192 6.594 11.285 1.00 10.00 H new ATOM 824 N GLY A 58 11.550 2.416 8.217 1.00 10.00 N ATOM 825 CA GLY A 58 11.443 1.097 7.586 1.00 10.00 C ATOM 826 C GLY A 58 12.155 1.035 6.215 1.00 10.00 C ATOM 827 O GLY A 58 13.028 1.861 5.950 1.00 10.00 O ATOM 0 H GLY A 58 10.660 2.910 8.280 1.00 10.00 H new ATOM 0 HA2 GLY A 58 11.872 0.345 8.249 1.00 10.00 H new ATOM 0 HA3 GLY A 58 10.391 0.844 7.457 1.00 10.00 H new ATOM 831 N PRO A 59 11.814 0.090 5.315 1.00 10.00 N ATOM 832 CA PRO A 59 12.567 -0.177 4.084 1.00 10.00 C ATOM 833 C PRO A 59 12.860 1.053 3.213 1.00 10.00 C ATOM 834 O PRO A 59 13.938 1.146 2.630 1.00 10.00 O ATOM 835 CB PRO A 59 11.778 -1.253 3.321 1.00 10.00 C ATOM 836 CG PRO A 59 10.400 -1.248 3.981 1.00 10.00 C ATOM 837 CD PRO A 59 10.717 -0.860 5.423 1.00 10.00 C ATOM 0 HA PRO A 59 13.567 -0.516 4.353 1.00 10.00 H new ATOM 0 HB2 PRO A 59 11.711 -1.019 2.258 1.00 10.00 H new ATOM 0 HB3 PRO A 59 12.255 -2.230 3.403 1.00 10.00 H new ATOM 0 HG2 PRO A 59 9.728 -0.532 3.508 1.00 10.00 H new ATOM 0 HG3 PRO A 59 9.919 -2.224 3.921 1.00 10.00 H new ATOM 0 HD2 PRO A 59 9.852 -0.413 5.912 1.00 10.00 H new ATOM 0 HD3 PRO A 59 11.003 -1.730 6.014 1.00 10.00 H new ATOM 845 N THR A 60 11.909 1.989 3.104 1.00 10.00 N ATOM 846 CA THR A 60 12.058 3.271 2.399 1.00 10.00 C ATOM 847 C THR A 60 12.703 3.178 1.002 1.00 10.00 C ATOM 848 O THR A 60 13.404 4.101 0.581 1.00 10.00 O ATOM 849 CB THR A 60 12.740 4.324 3.303 1.00 10.00 C ATOM 850 OG1 THR A 60 12.692 5.590 2.673 1.00 10.00 O ATOM 851 CG2 THR A 60 14.213 4.057 3.630 1.00 10.00 C ATOM 0 H THR A 60 10.984 1.872 3.517 1.00 10.00 H new ATOM 0 HA THR A 60 11.043 3.607 2.188 1.00 10.00 H new ATOM 0 HB THR A 60 12.183 4.279 4.239 1.00 10.00 H new ATOM 0 HG1 THR A 60 13.034 5.513 1.758 1.00 10.00 H new ATOM 0 HG21 THR A 60 14.594 4.854 4.269 1.00 10.00 H new ATOM 0 HG22 THR A 60 14.303 3.102 4.148 1.00 10.00 H new ATOM 0 HG23 THR A 60 14.791 4.025 2.706 1.00 10.00 H new ATOM 859 N LYS A 61 12.437 2.097 0.260 1.00 10.00 N ATOM 860 CA LYS A 61 13.016 1.832 -1.056 1.00 10.00 C ATOM 861 C LYS A 61 11.988 1.229 -2.018 1.00 10.00 C ATOM 862 O LYS A 61 11.101 0.476 -1.617 1.00 10.00 O ATOM 863 CB LYS A 61 14.223 0.890 -0.916 1.00 10.00 C ATOM 864 CG LYS A 61 15.545 1.666 -0.912 1.00 10.00 C ATOM 865 CD LYS A 61 16.716 0.681 -0.786 1.00 10.00 C ATOM 866 CE LYS A 61 18.048 1.391 -1.064 1.00 10.00 C ATOM 867 NZ LYS A 61 19.195 0.469 -0.914 1.00 10.00 N ATOM 0 H LYS A 61 11.797 1.366 0.569 1.00 10.00 H new ATOM 0 HA LYS A 61 13.342 2.784 -1.475 1.00 10.00 H new ATOM 0 HB2 LYS A 61 14.134 0.317 0.007 1.00 10.00 H new ATOM 0 HB3 LYS A 61 14.223 0.173 -1.737 1.00 10.00 H new ATOM 0 HG2 LYS A 61 15.641 2.246 -1.830 1.00 10.00 H new ATOM 0 HG3 LYS A 61 15.561 2.374 -0.084 1.00 10.00 H new ATOM 0 HD2 LYS A 61 16.729 0.249 0.215 1.00 10.00 H new ATOM 0 HD3 LYS A 61 16.583 -0.143 -1.487 1.00 10.00 H new ATOM 0 HE2 LYS A 61 18.039 1.801 -2.074 1.00 10.00 H new ATOM 0 HE3 LYS A 61 18.163 2.231 -0.380 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 20.079 0.980 -1.109 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 19.217 0.097 0.057 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 19.096 -0.320 -1.585 1.00 10.00 H new ATOM 881 N CYS A 62 12.149 1.541 -3.307 1.00 10.00 N ATOM 882 CA CYS A 62 11.292 1.086 -4.402 1.00 10.00 C ATOM 883 C CYS A 62 11.026 -0.426 -4.327 1.00 10.00 C ATOM 884 O CYS A 62 9.883 -0.889 -4.325 1.00 10.00 O ATOM 885 CB CYS A 62 11.924 1.442 -5.731 1.00 10.00 C ATOM 886 SG CYS A 62 12.745 3.078 -5.773 1.00 10.00 S ATOM 0 H CYS A 62 12.910 2.141 -3.627 1.00 10.00 H new ATOM 0 HA CYS A 62 10.331 1.592 -4.309 1.00 10.00 H new ATOM 0 HB2 CYS A 62 12.656 0.676 -5.986 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.154 1.417 -6.502 1.00 10.00 H new ATOM 891 N GLY A 63 12.094 -1.219 -4.243 1.00 10.00 N ATOM 892 CA GLY A 63 11.997 -2.673 -4.203 1.00 10.00 C ATOM 893 C GLY A 63 11.439 -3.244 -2.895 1.00 10.00 C ATOM 894 O GLY A 63 11.391 -4.461 -2.743 1.00 10.00 O ATOM 0 H GLY A 63 13.051 -0.868 -4.201 1.00 10.00 H new ATOM 0 HA2 GLY A 63 11.364 -3.004 -5.027 1.00 10.00 H new ATOM 0 HA3 GLY A 63 12.988 -3.094 -4.373 1.00 10.00 H new ATOM 898 N GLY A 64 10.993 -2.394 -1.961 1.00 10.00 N ATOM 899 CA GLY A 64 10.134 -2.826 -0.865 1.00 10.00 C ATOM 900 C GLY A 64 8.732 -3.208 -1.356 1.00 10.00 C ATOM 901 O GLY A 64 8.074 -4.040 -0.738 1.00 10.00 O ATOM 0 H GLY A 64 11.218 -1.399 -1.948 1.00 10.00 H new ATOM 0 HA2 GLY A 64 10.588 -3.680 -0.362 1.00 10.00 H new ATOM 0 HA3 GLY A 64 10.056 -2.027 -0.128 1.00 10.00 H new ATOM 905 N CYS A 65 8.265 -2.592 -2.453 1.00 10.00 N ATOM 906 CA CYS A 65 6.885 -2.758 -2.927 1.00 10.00 C ATOM 907 C CYS A 65 6.796 -3.669 -4.162 1.00 10.00 C ATOM 908 O CYS A 65 6.311 -4.792 -4.081 1.00 10.00 O ATOM 909 CB CYS A 65 6.273 -1.399 -3.154 1.00 10.00 C ATOM 910 SG CYS A 65 6.204 -0.472 -1.591 1.00 10.00 S ATOM 0 H CYS A 65 8.829 -1.970 -3.032 1.00 10.00 H new ATOM 0 HA CYS A 65 6.306 -3.271 -2.159 1.00 10.00 H new ATOM 0 HB2 CYS A 65 6.860 -0.846 -3.888 1.00 10.00 H new ATOM 0 HB3 CYS A 65 5.269 -1.508 -3.565 1.00 10.00 H new ATOM 915 N HIS A 66 7.254 -3.185 -5.316 1.00 10.00 N ATOM 916 CA HIS A 66 7.321 -3.947 -6.567 1.00 10.00 C ATOM 917 C HIS A 66 8.289 -5.141 -6.419 1.00 10.00 C ATOM 918 O HIS A 66 9.410 -4.951 -5.944 1.00 10.00 O ATOM 919 CB HIS A 66 7.763 -3.039 -7.739 1.00 10.00 C ATOM 920 CG HIS A 66 7.758 -1.566 -7.490 1.00 10.00 C ATOM 921 ND1 HIS A 66 8.656 -0.955 -6.667 1.00 10.00 N ATOM 922 CD2 HIS A 66 6.859 -0.618 -7.905 1.00 10.00 C ATOM 923 CE1 HIS A 66 8.298 0.324 -6.565 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.220 0.603 -7.301 1.00 10.00 N ATOM 0 H HIS A 66 7.598 -2.229 -5.411 1.00 10.00 H new ATOM 0 HA HIS A 66 6.325 -4.330 -6.787 1.00 10.00 H new ATOM 0 HB2 HIS A 66 8.772 -3.330 -8.033 1.00 10.00 H new ATOM 0 HB3 HIS A 66 7.112 -3.242 -8.590 1.00 10.00 H new ATOM 0 HD1 HIS A 66 9.456 -1.396 -6.213 1.00 10.00 H new ATOM 0 HD2 HIS A 66 6.026 -0.778 -8.573 1.00 10.00 H new ATOM 0 HE1 HIS A 66 8.819 1.050 -5.958 1.00 10.00 H new ATOM 932 N ILE A 67 7.900 -6.342 -6.866 1.00 10.00 N ATOM 933 CA ILE A 67 8.802 -7.499 -6.876 1.00 10.00 C ATOM 934 C ILE A 67 10.107 -7.204 -7.632 1.00 10.00 C ATOM 935 O ILE A 67 10.101 -6.613 -8.712 1.00 10.00 O ATOM 936 CB ILE A 67 8.117 -8.748 -7.462 1.00 10.00 C ATOM 937 CG1 ILE A 67 6.847 -9.152 -6.700 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.079 -9.946 -7.521 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.049 -9.483 -5.216 1.00 10.00 C ATOM 0 H ILE A 67 6.966 -6.537 -7.226 1.00 10.00 H new ATOM 0 HA ILE A 67 9.055 -7.703 -5.836 1.00 10.00 H new ATOM 0 HB ILE A 67 7.824 -8.469 -8.474 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.123 -8.341 -6.779 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.409 -10.020 -7.192 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.561 -10.809 -7.940 1.00 10.00 H new ATOM 0 HG22 ILE A 67 9.934 -9.696 -8.150 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.426 -10.184 -6.515 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.092 -9.756 -4.771 1.00 10.00 H new ATOM 0 HD12 ILE A 67 7.744 -10.317 -5.121 1.00 10.00 H new ATOM 0 HD13 ILE A 67 7.454 -8.612 -4.701 1.00 10.00 H new ATOM 951 N LYS A 68 11.220 -7.648 -7.049 1.00 10.00 N ATOM 952 CA LYS A 68 12.593 -7.544 -7.521 1.00 10.00 C ATOM 953 C LYS A 68 13.443 -8.404 -6.577 1.00 10.00 C ATOM 954 O LYS A 68 14.694 -8.346 -6.626 1.00 10.00 O ATOM 955 CB LYS A 68 13.061 -6.084 -7.520 1.00 10.00 C ATOM 956 CG LYS A 68 13.045 -5.491 -6.105 1.00 10.00 C ATOM 957 CD LYS A 68 14.422 -5.482 -5.405 1.00 10.00 C ATOM 958 CE LYS A 68 14.438 -6.154 -4.019 1.00 10.00 C ATOM 959 NZ LYS A 68 14.481 -7.629 -4.120 1.00 10.00 N ATOM 960 OXT LYS A 68 12.841 -8.928 -5.607 1.00 10.00 O ATOM 0 H LYS A 68 11.175 -8.133 -6.153 1.00 10.00 H new ATOM 0 HA LYS A 68 12.685 -7.894 -8.549 1.00 10.00 H new ATOM 0 HB2 LYS A 68 14.069 -6.023 -7.930 1.00 10.00 H new ATOM 0 HB3 LYS A 68 12.416 -5.493 -8.171 1.00 10.00 H new ATOM 0 HG2 LYS A 68 12.670 -4.469 -6.156 1.00 10.00 H new ATOM 0 HG3 LYS A 68 12.343 -6.058 -5.494 1.00 10.00 H new ATOM 0 HD2 LYS A 68 15.145 -5.985 -6.047 1.00 10.00 H new ATOM 0 HD3 LYS A 68 14.754 -4.449 -5.298 1.00 10.00 H new ATOM 0 HE2 LYS A 68 15.303 -5.804 -3.456 1.00 10.00 H new ATOM 0 HE3 LYS A 68 13.551 -5.854 -3.460 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 14.889 -8.025 -3.249 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 13.517 -7.996 -4.248 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 15.068 -7.904 -4.934 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -9.361 -1.776 0.945 1.00 10.00 FE HETATM 976 CHA HEC A 130 -10.242 -0.813 -2.146 1.00 10.00 C HETATM 977 CHB HEC A 130 -12.423 -2.696 1.613 1.00 10.00 C HETATM 978 CHC HEC A 130 -8.254 -3.224 3.721 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.390 -0.409 0.470 1.00 10.00 C HETATM 980 NA HEC A 130 -10.972 -1.737 -0.038 1.00 10.00 N HETATM 981 C1A HEC A 130 -11.145 -1.374 -1.324 1.00 10.00 C HETATM 982 C2A HEC A 130 -12.486 -1.718 -1.750 1.00 10.00 C HETATM 983 C3A HEC A 130 -13.154 -2.055 -0.611 1.00 10.00 C HETATM 984 C4A HEC A 130 -12.143 -2.192 0.407 1.00 10.00 C HETATM 985 CMA HEC A 130 -14.648 -2.265 -0.468 1.00 10.00 C HETATM 986 CAA HEC A 130 -13.032 -1.843 -3.164 1.00 10.00 C HETATM 987 CBA HEC A 130 -13.703 -3.205 -3.480 1.00 10.00 C HETATM 988 CGA HEC A 130 -12.915 -4.487 -3.095 1.00 10.00 C HETATM 989 O1A HEC A 130 -12.644 -4.676 -1.886 1.00 10.00 O HETATM 990 O2A HEC A 130 -12.653 -5.320 -3.997 1.00 10.00 O HETATM 991 NB HEC A 130 -10.169 -2.713 2.395 1.00 10.00 N HETATM 992 C1B HEC A 130 -11.465 -2.962 2.498 1.00 10.00 C HETATM 993 C2B HEC A 130 -11.751 -3.651 3.735 1.00 10.00 C HETATM 994 C3B HEC A 130 -10.540 -3.859 4.337 1.00 10.00 C HETATM 995 C4B HEC A 130 -9.566 -3.240 3.461 1.00 10.00 C HETATM 996 CMB HEC A 130 -13.117 -4.106 4.218 1.00 10.00 C HETATM 997 CAB HEC A 130 -10.266 -4.685 5.588 1.00 10.00 C HETATM 998 CBB HEC A 130 -10.562 -6.175 5.377 1.00 10.00 C HETATM 999 NC HEC A 130 -7.696 -1.837 1.862 1.00 10.00 N HETATM 1000 C1C HEC A 130 -7.422 -2.511 2.972 1.00 10.00 C HETATM 1001 C2C HEC A 130 -6.023 -2.385 3.303 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.548 -1.415 2.474 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.596 -1.186 1.516 1.00 10.00 C HETATM 1004 CMC HEC A 130 -5.238 -3.157 4.343 1.00 10.00 C HETATM 1005 CAC HEC A 130 -4.307 -0.561 2.665 1.00 10.00 C HETATM 1006 CBC HEC A 130 -3.009 -1.206 2.195 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.516 -0.741 -0.511 1.00 10.00 N HETATM 1008 C1D HEC A 130 -7.278 -0.283 -0.489 1.00 10.00 C HETATM 1009 C2D HEC A 130 -6.936 0.344 -1.739 1.00 10.00 C HETATM 1010 C3D HEC A 130 -8.021 0.164 -2.543 1.00 10.00 C HETATM 1011 C4D HEC A 130 -9.024 -0.482 -1.717 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.589 0.889 -2.183 1.00 10.00 C HETATM 1013 CAD HEC A 130 -8.038 0.442 -4.033 1.00 10.00 C HETATM 1014 CBD HEC A 130 -7.489 -0.735 -4.859 1.00 10.00 C HETATM 1015 CGD HEC A 130 -8.246 -2.053 -4.625 1.00 10.00 C HETATM 1016 O1D HEC A 130 -7.606 -3.020 -4.149 1.00 10.00 O HETATM 1017 O2D HEC A 130 -9.471 -2.053 -4.881 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -5.271 1.675 -1.498 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -4.853 0.085 -2.181 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.676 1.298 -3.189 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -5.673 -2.987 5.328 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -5.274 -4.221 4.110 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -4.202 -2.820 4.341 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -13.774 -3.242 4.316 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -13.543 -4.806 3.499 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -13.016 -4.597 5.186 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -15.172 -1.348 -0.738 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -14.967 -3.072 -1.128 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -14.882 -2.526 0.564 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -7.538 -0.480 -5.918 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -6.437 -0.881 -4.614 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -2.842 -2.131 2.747 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -3.077 -1.427 1.130 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -2.178 -0.523 2.371 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -11.611 -6.303 5.111 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -9.934 -6.561 4.574 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -10.351 -6.722 6.296 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -14.666 -3.234 -2.971 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -13.907 -3.242 -4.550 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -9.059 0.657 -4.347 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.446 1.334 -4.240 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -13.759 -1.048 -3.330 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -12.217 -1.682 -3.870 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.454 0.145 0.400 1.00 10.00 H new HETATM 0 HHC HEC A 130 -7.864 -3.803 4.558 1.00 10.00 H new HETATM 0 HHB HEC A 130 -13.462 -2.894 1.878 1.00 10.00 H new HETATM 0 HHA HEC A 130 -10.511 -0.625 -3.185 1.00 10.00 H new HETATM 0 H2D HEC A 130 -9.804 -2.975 -4.884 1.00 10.00 H new HETATM 0 H2A HEC A 130 -11.855 -5.831 -3.748 1.00 10.00 H new HETATM 1050 FE HEC A 153 2.165 -2.735 3.325 1.00 10.00 FE HETATM 1051 CHA HEC A 153 3.583 -5.517 4.417 1.00 10.00 C HETATM 1052 CHB HEC A 153 3.077 -3.421 0.231 1.00 10.00 C HETATM 1053 CHC HEC A 153 0.329 -0.206 2.285 1.00 10.00 C HETATM 1054 CHD HEC A 153 1.802 -1.670 6.475 1.00 10.00 C HETATM 1055 NA HEC A 153 3.109 -4.171 2.495 1.00 10.00 N HETATM 1056 C1A HEC A 153 3.598 -5.258 3.109 1.00 10.00 C HETATM 1057 C2A HEC A 153 4.333 -6.073 2.164 1.00 10.00 C HETATM 1058 C3A HEC A 153 4.187 -5.456 0.954 1.00 10.00 C HETATM 1059 C4A HEC A 153 3.424 -4.259 1.208 1.00 10.00 C HETATM 1060 CMA HEC A 153 4.711 -5.939 -0.387 1.00 10.00 C HETATM 1061 CAA HEC A 153 5.319 -7.186 2.478 1.00 10.00 C HETATM 1062 CBA HEC A 153 6.756 -6.657 2.671 1.00 10.00 C HETATM 1063 CGA HEC A 153 6.894 -5.593 3.783 1.00 10.00 C HETATM 1064 O1A HEC A 153 6.571 -5.933 4.944 1.00 10.00 O HETATM 1065 O2A HEC A 153 7.273 -4.440 3.465 1.00 10.00 O HETATM 1066 NB HEC A 153 1.769 -1.978 1.619 1.00 10.00 N HETATM 1067 C1B HEC A 153 2.261 -2.384 0.453 1.00 10.00 C HETATM 1068 C2B HEC A 153 1.772 -1.540 -0.618 1.00 10.00 C HETATM 1069 C3B HEC A 153 0.890 -0.663 -0.041 1.00 10.00 C HETATM 1070 C4B HEC A 153 0.971 -0.943 1.382 1.00 10.00 C HETATM 1071 CMB HEC A 153 2.137 -1.640 -2.085 1.00 10.00 C HETATM 1072 CAB HEC A 153 -0.058 0.330 -0.742 1.00 10.00 C HETATM 1073 CBB HEC A 153 0.122 0.595 -2.232 1.00 10.00 C HETATM 1074 NC HEC A 153 1.204 -1.276 4.203 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.482 -0.356 3.593 1.00 10.00 C HETATM 1076 C2C HEC A 153 -0.097 0.570 4.548 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.357 0.157 5.770 1.00 10.00 C HETATM 1078 C4C HEC A 153 1.191 -0.996 5.503 1.00 10.00 C HETATM 1079 CMC HEC A 153 -0.952 1.800 4.267 1.00 10.00 C HETATM 1080 CAC HEC A 153 0.058 0.750 7.146 1.00 10.00 C HETATM 1081 CBC HEC A 153 -1.181 1.641 7.309 1.00 10.00 C HETATM 1082 ND HEC A 153 2.612 -3.432 5.067 1.00 10.00 N HETATM 1083 C1D HEC A 153 2.415 -2.829 6.239 1.00 10.00 C HETATM 1084 C2D HEC A 153 2.902 -3.654 7.318 1.00 10.00 C HETATM 1085 C3D HEC A 153 3.387 -4.785 6.729 1.00 10.00 C HETATM 1086 C4D HEC A 153 3.188 -4.610 5.308 1.00 10.00 C HETATM 1087 CMD HEC A 153 2.821 -3.374 8.810 1.00 10.00 C HETATM 1088 CAD HEC A 153 3.923 -6.007 7.448 1.00 10.00 C HETATM 1089 CBD HEC A 153 2.833 -7.082 7.581 1.00 10.00 C HETATM 1090 CGD HEC A 153 3.127 -8.163 8.631 1.00 10.00 C HETATM 1091 O1D HEC A 153 2.947 -9.368 8.337 1.00 10.00 O HETATM 1092 O2D HEC A 153 3.399 -7.827 9.809 1.00 10.00 O HETATM 0 HMD3 HEC A 153 3.347 -2.446 9.035 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 1.776 -3.280 9.106 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 3.282 -4.195 9.360 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -0.388 2.503 3.655 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -1.856 1.501 3.736 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.225 2.276 5.209 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 3.212 -1.502 -2.203 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 1.853 -2.622 -2.464 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 1.609 -0.868 -2.645 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 5.797 -6.023 -0.345 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 4.281 -6.914 -0.616 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 4.432 -5.228 -1.164 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 1.890 -6.596 7.833 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 2.695 -7.563 6.612 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -1.098 2.504 6.648 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -2.075 1.072 7.053 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -1.251 1.981 8.342 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 1.120 0.995 -2.412 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 -0.000 -0.337 -2.785 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -0.624 1.316 -2.566 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 7.412 -7.496 2.903 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 7.104 -6.231 1.730 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 4.775 -6.412 6.902 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 4.284 -5.724 8.437 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 5.001 -7.706 3.382 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 5.309 -7.917 1.669 1.00 10.00 H new HETATM 0 HHD HEC A 153 1.801 -1.264 7.487 1.00 10.00 H new HETATM 0 HHC HEC A 153 -0.359 0.561 1.930 1.00 10.00 H new HETATM 0 HHB HEC A 153 3.468 -3.585 -0.773 1.00 10.00 H new HETATM 0 HHA HEC A 153 3.903 -6.499 4.766 1.00 10.00 H new HETATM 0 H2D HEC A 153 4.304 -8.129 10.035 1.00 10.00 H new HETATM 0 H2A HEC A 153 7.272 -3.865 4.258 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.515 2.453 -7.319 1.00 10.00 FE HETATM 1126 CHA HEC A 166 4.242 2.157 -9.681 1.00 10.00 C HETATM 1127 CHB HEC A 166 8.888 2.934 -9.509 1.00 10.00 C HETATM 1128 CHC HEC A 166 8.438 3.574 -4.870 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.459 1.081 -5.115 1.00 10.00 C HETATM 1130 NA HEC A 166 6.567 2.488 -9.190 1.00 10.00 N HETATM 1131 C1A HEC A 166 5.518 2.375 -10.013 1.00 10.00 C HETATM 1132 C2A HEC A 166 5.958 2.564 -11.380 1.00 10.00 C HETATM 1133 C3A HEC A 166 7.316 2.671 -11.330 1.00 10.00 C HETATM 1134 C4A HEC A 166 7.655 2.663 -9.930 1.00 10.00 C HETATM 1135 CMA HEC A 166 8.240 2.959 -12.499 1.00 10.00 C HETATM 1136 CAA HEC A 166 5.124 2.673 -12.640 1.00 10.00 C HETATM 1137 CBA HEC A 166 5.150 1.412 -13.509 1.00 10.00 C HETATM 1138 CGA HEC A 166 4.339 1.523 -14.813 1.00 10.00 C HETATM 1139 O1A HEC A 166 3.902 2.663 -15.133 1.00 10.00 O HETATM 1140 O2A HEC A 166 4.213 0.463 -15.476 1.00 10.00 O HETATM 1141 NB HEC A 166 8.269 3.152 -7.216 1.00 10.00 N HETATM 1142 C1B HEC A 166 9.115 3.236 -8.234 1.00 10.00 C HETATM 1143 C2B HEC A 166 10.371 3.793 -7.800 1.00 10.00 C HETATM 1144 C3B HEC A 166 10.246 3.996 -6.451 1.00 10.00 C HETATM 1145 C4B HEC A 166 8.886 3.621 -6.131 1.00 10.00 C HETATM 1146 CMB HEC A 166 11.568 4.106 -8.681 1.00 10.00 C HETATM 1147 CAB HEC A 166 11.381 4.235 -5.463 1.00 10.00 C HETATM 1148 CBB HEC A 166 11.891 5.680 -5.454 1.00 10.00 C HETATM 1149 NC HEC A 166 6.486 2.316 -5.395 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.371 2.839 -4.560 1.00 10.00 C HETATM 1151 C2C HEC A 166 7.099 2.422 -3.205 1.00 10.00 C HETATM 1152 C3C HEC A 166 5.962 1.665 -3.271 1.00 10.00 C HETATM 1153 C4C HEC A 166 5.591 1.640 -4.672 1.00 10.00 C HETATM 1154 CMC HEC A 166 7.993 2.621 -1.992 1.00 10.00 C HETATM 1155 CAC HEC A 166 5.257 0.985 -2.104 1.00 10.00 C HETATM 1156 CBC HEC A 166 5.012 1.880 -0.889 1.00 10.00 C HETATM 1157 ND HEC A 166 4.692 1.801 -7.380 1.00 10.00 N HETATM 1158 C1D HEC A 166 4.029 1.275 -6.364 1.00 10.00 C HETATM 1159 C2D HEC A 166 2.664 1.000 -6.753 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.570 1.293 -8.083 1.00 10.00 C HETATM 1161 C4D HEC A 166 3.882 1.808 -8.449 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.489 0.617 -5.870 1.00 10.00 C HETATM 1163 CAD HEC A 166 1.284 1.065 -8.882 1.00 10.00 C HETATM 1164 CBD HEC A 166 1.350 0.611 -10.356 1.00 10.00 C HETATM 1165 CGD HEC A 166 1.279 1.747 -11.396 1.00 10.00 C HETATM 1166 O1D HEC A 166 1.331 2.924 -10.974 1.00 10.00 O HETATM 1167 O2D HEC A 166 1.247 1.427 -12.602 1.00 10.00 O HETATM 0 HMD3 HEC A 166 1.714 -0.313 -5.348 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 1.309 1.407 -5.141 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 0.600 0.481 -6.486 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 8.948 2.123 -2.158 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 8.162 3.686 -1.835 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 7.511 2.196 -1.111 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 11.913 3.192 -9.165 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 11.280 4.833 -9.441 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 12.371 4.518 -8.070 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 8.131 2.177 -13.250 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 7.982 3.923 -12.938 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 9.272 2.985 -12.149 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 2.277 0.058 -10.508 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 0.531 -0.083 -10.543 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 5.966 2.245 -0.508 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 4.389 2.726 -1.180 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 4.506 1.308 -0.112 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 12.262 5.941 -6.445 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 11.076 6.352 -5.183 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 12.698 5.777 -4.728 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 6.185 1.178 -13.758 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 4.765 0.575 -12.926 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 0.697 0.322 -8.342 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 0.720 1.997 -8.857 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 4.092 2.892 -12.364 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 5.482 3.517 -13.230 1.00 10.00 H new HETATM 0 HHD HEC A 166 3.875 0.454 -4.442 1.00 10.00 H new HETATM 0 HHC HEC A 166 8.950 4.141 -4.092 1.00 10.00 H new HETATM 0 HHB HEC A 166 9.718 2.908 -10.215 1.00 10.00 H new HETATM 0 HHA HEC A 166 3.472 2.269 -10.444 1.00 10.00 H new HETATM 0 H2D HEC A 166 1.028 2.214 -13.144 1.00 10.00 H new HETATM 0 H2A HEC A 166 3.524 0.586 -16.162 1.00 10.00 H new