USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 854 hydrogens (30 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 64 HIS HE2 : A 64 HIS NE2 : A 129 HEMFE :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 129 HEMFE :(H bumps) USER MOD Set 1.1: A 126 SER OG : rot 180:sc= 0.516 USER MOD Set 1.2: A 128 SER OG : rot 111:sc= 0.558 USER MOD Set 2.1: A 58 THR OG1 : rot -92:sc= 1.26 USER MOD Set 2.2: A 59 LYS NZ :NH3+ 145:sc= 0.542 (180deg=-0.487) USER MOD Set 3.1: A 40 HIS : no HD1:sc= -0.554 X(o=-0.35,f=-0.62) USER MOD Set 3.2: A 45 SER OG : rot -55:sc= 0.207 USER MOD Single : A 21 MET CE :methyl -163:sc= -0.116 (180deg=-0.61) USER MOD Single : A 24 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.00307 USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= -0.0837 (180deg=-0.344) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -52:sc= 0.903 USER MOD Single : A 38 GLN : amide:sc= 0.491 K(o=0.49,f=-0.12) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -1.07 K(o=-1.1,f=-4.5!) USER MOD Single : A 42 HIS : no HE2:sc= -2.17 K(o=-2.2,f=-4.2!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -170:sc= 0.00714 USER MOD Single : A 51 HIS :FLIP no HD1:sc= -0.319 F(o=-0.93,f=-0.32) USER MOD Single : A 52 HIS : no HE2:sc= -0.248 K(o=-0.25,f=-2.9!) USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= 1.21 (180deg=0.957) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.03) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.958 K(o=-0.96,f=-1.8!) USER MOD Single : A 89 SER OG : rot 57:sc= 0.748 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -141:sc= 1.22 USER MOD Single : A 97 LYS NZ :NH3+ -137:sc= 0.874 (180deg=-1.46!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -1.83 X(o=-1.8,f=-1.9!) USER MOD Single : A 111 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.019) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 114 LYS NZ :NH3+ -134:sc= 0.224 (180deg=-1.67) USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot -94:sc= 1.54 USER MOD Single : A 127 SER OG : rot -54:sc= 0.322 USER MOD Single : A 129 HEM CMA :methyl 150:sc= -0.278 (180deg=-0.278) USER MOD Single : A 129 HEM CMB :methyl -30:sc= -0.367 (180deg=-0.572) USER MOD Single : A 129 HEM CMC :methyl -30:sc= -1.36 (180deg=-5.12!) USER MOD Single : A 129 HEM CMD :methyl -30:sc= -0.129 (180deg=-3.21!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 2.554 -24.178 4.487 1.00 14.68 N ATOM 2 CA MET A 21 1.503 -23.171 4.356 1.00 14.32 C ATOM 3 C MET A 21 0.618 -23.429 3.139 1.00 13.51 C ATOM 4 O MET A 21 0.989 -24.165 2.222 1.00 13.68 O ATOM 5 CB MET A 21 2.078 -21.746 4.305 1.00 14.15 C ATOM 6 CG MET A 21 2.657 -21.269 5.629 1.00 14.65 C ATOM 7 SD MET A 21 1.450 -21.314 6.971 1.00 15.21 S ATOM 8 CE MET A 21 0.202 -20.203 6.322 1.00 15.63 C ATOM 0 HA MET A 21 0.884 -23.254 5.249 1.00 14.32 H new ATOM 0 HB2 MET A 21 2.857 -21.706 3.543 1.00 14.15 H new ATOM 0 HB3 MET A 21 1.292 -21.058 3.994 1.00 14.15 H new ATOM 0 HG2 MET A 21 3.512 -21.892 5.893 1.00 14.65 H new ATOM 0 HG3 MET A 21 3.028 -20.251 5.513 1.00 14.65 H new ATOM 0 HE1 MET A 21 -0.455 -19.882 7.130 1.00 15.63 H new ATOM 0 HE2 MET A 21 0.685 -19.332 5.880 1.00 15.63 H new ATOM 0 HE3 MET A 21 -0.384 -20.718 5.561 1.00 15.63 H new ATOM 18 N ALA A 22 -0.555 -22.820 3.146 1.00 12.77 N ATOM 19 CA ALA A 22 -1.492 -22.934 2.040 1.00 12.10 C ATOM 20 C ALA A 22 -1.726 -21.559 1.428 1.00 11.21 C ATOM 21 O ALA A 22 -2.751 -20.917 1.665 1.00 11.30 O ATOM 22 CB ALA A 22 -2.802 -23.551 2.510 1.00 12.20 C ATOM 0 H ALA A 22 -0.884 -22.235 3.914 1.00 12.77 H new ATOM 0 HA ALA A 22 -1.070 -23.591 1.279 1.00 12.10 H new ATOM 0 HB1 ALA A 22 -3.490 -23.628 1.668 1.00 12.20 H new ATOM 0 HB2 ALA A 22 -2.611 -24.545 2.915 1.00 12.20 H new ATOM 0 HB3 ALA A 22 -3.243 -22.922 3.283 1.00 12.20 H new ATOM 28 N GLU A 23 -0.762 -21.109 0.645 1.00 10.56 N ATOM 29 CA GLU A 23 -0.750 -19.744 0.162 1.00 9.86 C ATOM 30 C GLU A 23 -1.514 -19.602 -1.141 1.00 9.83 C ATOM 31 O GLU A 23 -1.377 -20.429 -2.041 1.00 10.22 O ATOM 32 CB GLU A 23 0.687 -19.264 0.007 1.00 8.92 C ATOM 33 CG GLU A 23 1.514 -19.498 1.263 1.00 9.14 C ATOM 34 CD GLU A 23 0.946 -18.777 2.468 1.00 9.74 C ATOM 35 OE1 GLU A 23 -0.091 -19.214 3.005 1.00 10.29 O ATOM 36 OE2 GLU A 23 1.528 -17.753 2.865 1.00 9.87 O ATOM 0 H GLU A 23 0.026 -21.674 0.330 1.00 10.56 H new ATOM 0 HA GLU A 23 -1.256 -19.118 0.897 1.00 9.86 H new ATOM 0 HB2 GLU A 23 1.152 -19.781 -0.833 1.00 8.92 H new ATOM 0 HB3 GLU A 23 0.688 -18.201 -0.233 1.00 8.92 H new ATOM 0 HG2 GLU A 23 1.561 -20.567 1.471 1.00 9.14 H new ATOM 0 HG3 GLU A 23 2.536 -19.162 1.090 1.00 9.14 H new ATOM 43 N GLN A 24 -2.325 -18.568 -1.232 1.00 9.65 N ATOM 44 CA GLN A 24 -3.193 -18.384 -2.381 1.00 9.95 C ATOM 45 C GLN A 24 -2.387 -18.126 -3.660 1.00 9.30 C ATOM 46 O GLN A 24 -2.489 -18.871 -4.640 1.00 9.57 O ATOM 47 CB GLN A 24 -4.154 -17.223 -2.124 1.00 10.36 C ATOM 48 CG GLN A 24 -5.366 -17.249 -3.044 1.00 11.10 C ATOM 49 CD GLN A 24 -6.283 -16.048 -2.890 1.00 11.88 C ATOM 50 OE1 GLN A 24 -5.710 -14.896 -2.583 1.00 12.37 O flip ATOM 51 NE2 GLN A 24 -7.494 -16.160 -3.062 1.00 12.20 N flip ATOM 0 H GLN A 24 -2.402 -17.839 -0.523 1.00 9.65 H new ATOM 0 HA GLN A 24 -3.761 -19.303 -2.525 1.00 9.95 H new ATOM 0 HB2 GLN A 24 -4.489 -17.257 -1.087 1.00 10.36 H new ATOM 0 HB3 GLN A 24 -3.623 -16.281 -2.257 1.00 10.36 H new ATOM 0 HG2 GLN A 24 -5.024 -17.302 -4.078 1.00 11.10 H new ATOM 0 HG3 GLN A 24 -5.937 -18.157 -2.850 1.00 11.10 H new ATOM 0 HE21 GLN A 24 -7.894 -17.068 -3.298 1.00 12.20 H new ATOM 0 HE22 GLN A 24 -8.100 -15.345 -2.969 1.00 12.20 H new ATOM 60 N SER A 25 -1.562 -17.090 -3.619 1.00 8.66 N ATOM 61 CA SER A 25 -0.928 -16.559 -4.817 1.00 8.30 C ATOM 62 C SER A 25 0.522 -17.015 -4.962 1.00 7.40 C ATOM 63 O SER A 25 1.009 -17.845 -4.191 1.00 7.32 O ATOM 64 CB SER A 25 -1.015 -15.031 -4.786 1.00 8.45 C ATOM 65 OG SER A 25 -0.526 -14.516 -3.554 1.00 8.80 O ATOM 0 H SER A 25 -1.314 -16.597 -2.761 1.00 8.66 H new ATOM 0 HA SER A 25 -1.459 -16.948 -5.686 1.00 8.30 H new ATOM 0 HB2 SER A 25 -0.439 -14.614 -5.612 1.00 8.45 H new ATOM 0 HB3 SER A 25 -2.050 -14.719 -4.929 1.00 8.45 H new ATOM 0 HG SER A 25 -0.591 -13.538 -3.560 1.00 8.80 H new ATOM 71 N ASP A 26 1.194 -16.431 -5.951 1.00 7.02 N ATOM 72 CA ASP A 26 2.548 -16.819 -6.354 1.00 6.51 C ATOM 73 C ASP A 26 3.577 -16.707 -5.219 1.00 5.72 C ATOM 74 O ASP A 26 3.977 -17.715 -4.638 1.00 5.93 O ATOM 75 CB ASP A 26 2.991 -15.971 -7.554 1.00 6.68 C ATOM 76 CG ASP A 26 2.742 -14.489 -7.347 1.00 7.05 C ATOM 77 OD1 ASP A 26 1.588 -14.051 -7.525 1.00 7.19 O ATOM 78 OD2 ASP A 26 3.689 -13.758 -6.991 1.00 7.49 O ATOM 0 H ASP A 26 0.810 -15.664 -6.504 1.00 7.02 H new ATOM 0 HA ASP A 26 2.507 -17.873 -6.629 1.00 6.51 H new ATOM 0 HB2 ASP A 26 4.053 -16.135 -7.737 1.00 6.68 H new ATOM 0 HB3 ASP A 26 2.459 -16.304 -8.445 1.00 6.68 H new ATOM 83 N GLU A 27 4.032 -15.496 -4.922 1.00 5.18 N ATOM 84 CA GLU A 27 5.059 -15.302 -3.912 1.00 4.82 C ATOM 85 C GLU A 27 4.687 -14.135 -2.998 1.00 3.91 C ATOM 86 O GLU A 27 3.849 -13.302 -3.362 1.00 4.18 O ATOM 87 CB GLU A 27 6.422 -15.067 -4.591 1.00 5.12 C ATOM 88 CG GLU A 27 7.595 -14.859 -3.639 1.00 5.86 C ATOM 89 CD GLU A 27 7.836 -16.036 -2.710 1.00 6.70 C ATOM 90 OE1 GLU A 27 7.229 -16.072 -1.620 1.00 7.03 O ATOM 91 OE2 GLU A 27 8.647 -16.919 -3.057 1.00 7.26 O ATOM 0 H GLU A 27 3.706 -14.637 -5.366 1.00 5.18 H new ATOM 0 HA GLU A 27 5.134 -16.198 -3.296 1.00 4.82 H new ATOM 0 HB2 GLU A 27 6.642 -15.920 -5.232 1.00 5.12 H new ATOM 0 HB3 GLU A 27 6.341 -14.194 -5.239 1.00 5.12 H new ATOM 0 HG2 GLU A 27 8.498 -14.675 -4.222 1.00 5.86 H new ATOM 0 HG3 GLU A 27 7.414 -13.966 -3.041 1.00 5.86 H new ATOM 98 N ALA A 28 5.303 -14.089 -1.827 1.00 3.15 N ATOM 99 CA ALA A 28 5.025 -13.061 -0.839 1.00 2.43 C ATOM 100 C ALA A 28 5.233 -11.657 -1.395 1.00 1.93 C ATOM 101 O ALA A 28 6.345 -11.267 -1.755 1.00 2.03 O ATOM 102 CB ALA A 28 5.903 -13.270 0.381 1.00 2.71 C ATOM 0 H ALA A 28 6.010 -14.764 -1.536 1.00 3.15 H new ATOM 0 HA ALA A 28 3.975 -13.149 -0.560 1.00 2.43 H new ATOM 0 HB1 ALA A 28 5.691 -12.496 1.119 1.00 2.71 H new ATOM 0 HB2 ALA A 28 5.698 -14.250 0.813 1.00 2.71 H new ATOM 0 HB3 ALA A 28 6.952 -13.214 0.089 1.00 2.71 H new ATOM 108 N VAL A 29 4.147 -10.913 -1.474 1.00 1.65 N ATOM 109 CA VAL A 29 4.221 -9.500 -1.753 1.00 1.29 C ATOM 110 C VAL A 29 4.351 -8.787 -0.412 1.00 1.04 C ATOM 111 O VAL A 29 3.943 -9.337 0.612 1.00 1.10 O ATOM 112 CB VAL A 29 2.973 -9.017 -2.541 1.00 1.34 C ATOM 113 CG1 VAL A 29 1.997 -8.242 -1.668 1.00 1.70 C ATOM 114 CG2 VAL A 29 3.403 -8.185 -3.742 1.00 1.82 C ATOM 0 H VAL A 29 3.200 -11.270 -1.347 1.00 1.65 H new ATOM 0 HA VAL A 29 5.080 -9.276 -2.385 1.00 1.29 H new ATOM 0 HB VAL A 29 2.444 -9.904 -2.889 1.00 1.34 H new ATOM 0 HG11 VAL A 29 1.143 -7.928 -2.268 1.00 1.70 H new ATOM 0 HG12 VAL A 29 1.653 -8.879 -0.853 1.00 1.70 H new ATOM 0 HG13 VAL A 29 2.495 -7.364 -1.257 1.00 1.70 H new ATOM 0 HG21 VAL A 29 2.521 -7.851 -4.288 1.00 1.82 H new ATOM 0 HG22 VAL A 29 3.968 -7.318 -3.400 1.00 1.82 H new ATOM 0 HG23 VAL A 29 4.029 -8.790 -4.398 1.00 1.82 H new ATOM 124 N LYS A 30 4.947 -7.605 -0.396 1.00 0.90 N ATOM 125 CA LYS A 30 5.174 -6.918 0.863 1.00 0.79 C ATOM 126 C LYS A 30 3.868 -6.381 1.417 1.00 0.63 C ATOM 127 O LYS A 30 3.156 -5.624 0.754 1.00 0.66 O ATOM 128 CB LYS A 30 6.243 -5.828 0.725 1.00 0.87 C ATOM 129 CG LYS A 30 7.571 -6.406 0.282 1.00 1.26 C ATOM 130 CD LYS A 30 8.649 -5.354 0.079 1.00 2.11 C ATOM 131 CE LYS A 30 9.994 -6.011 -0.195 1.00 2.93 C ATOM 132 NZ LYS A 30 9.906 -7.034 -1.274 1.00 3.71 N ATOM 0 H LYS A 30 5.277 -7.110 -1.225 1.00 0.90 H new ATOM 0 HA LYS A 30 5.563 -7.638 1.583 1.00 0.79 H new ATOM 0 HB2 LYS A 30 5.911 -5.081 0.004 1.00 0.87 H new ATOM 0 HB3 LYS A 30 6.368 -5.316 1.679 1.00 0.87 H new ATOM 0 HG2 LYS A 30 7.912 -7.126 1.026 1.00 1.26 H new ATOM 0 HG3 LYS A 30 7.428 -6.954 -0.650 1.00 1.26 H new ATOM 0 HD2 LYS A 30 8.379 -4.705 -0.754 1.00 2.11 H new ATOM 0 HD3 LYS A 30 8.720 -4.723 0.965 1.00 2.11 H new ATOM 0 HE2 LYS A 30 10.719 -5.248 -0.477 1.00 2.93 H new ATOM 0 HE3 LYS A 30 10.362 -6.478 0.718 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 10.863 -7.272 -1.605 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 9.444 -7.890 -0.904 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 9.350 -6.655 -2.067 1.00 3.71 H new ATOM 146 N TYR A 31 3.544 -6.803 2.623 1.00 0.56 N ATOM 147 CA TYR A 31 2.268 -6.474 3.210 1.00 0.49 C ATOM 148 C TYR A 31 2.415 -5.473 4.353 1.00 0.50 C ATOM 149 O TYR A 31 3.525 -5.136 4.766 1.00 0.64 O ATOM 150 CB TYR A 31 1.581 -7.723 3.754 1.00 0.56 C ATOM 151 CG TYR A 31 1.382 -8.861 2.773 1.00 0.63 C ATOM 152 CD1 TYR A 31 0.619 -8.685 1.628 1.00 0.61 C ATOM 153 CD2 TYR A 31 1.997 -10.089 2.962 1.00 0.81 C ATOM 154 CE1 TYR A 31 0.471 -9.705 0.707 1.00 0.75 C ATOM 155 CE2 TYR A 31 1.864 -11.109 2.042 1.00 0.94 C ATOM 156 CZ TYR A 31 0.936 -10.983 1.032 1.00 0.89 C ATOM 157 OH TYR A 31 0.967 -11.920 -0.010 1.00 1.06 O ATOM 0 H TYR A 31 4.149 -7.374 3.213 1.00 0.56 H new ATOM 0 HA TYR A 31 1.666 -6.030 2.417 1.00 0.49 H new ATOM 0 HB2 TYR A 31 2.165 -8.095 4.596 1.00 0.56 H new ATOM 0 HB3 TYR A 31 0.606 -7.434 4.145 1.00 0.56 H new ATOM 0 HD1 TYR A 31 0.133 -7.736 1.453 1.00 0.61 H new ATOM 0 HD2 TYR A 31 2.593 -10.251 3.848 1.00 0.81 H new ATOM 0 HE1 TYR A 31 0.004 -9.518 -0.248 1.00 0.75 H new ATOM 0 HE2 TYR A 31 2.479 -11.994 2.113 1.00 0.94 H new ATOM 0 HH TYR A 31 1.308 -12.774 0.328 1.00 1.06 H new ATOM 167 N TYR A 32 1.272 -5.008 4.836 1.00 0.43 N ATOM 168 CA TYR A 32 1.160 -4.267 6.087 1.00 0.46 C ATOM 169 C TYR A 32 -0.132 -4.697 6.765 1.00 0.53 C ATOM 170 O TYR A 32 -1.081 -5.047 6.082 1.00 0.89 O ATOM 171 CB TYR A 32 1.147 -2.758 5.837 1.00 0.46 C ATOM 172 CG TYR A 32 2.500 -2.210 5.427 1.00 0.52 C ATOM 173 CD1 TYR A 32 3.421 -1.799 6.382 1.00 1.09 C ATOM 174 CD2 TYR A 32 2.849 -2.090 4.088 1.00 0.98 C ATOM 175 CE1 TYR A 32 4.647 -1.283 6.018 1.00 1.20 C ATOM 176 CE2 TYR A 32 4.078 -1.576 3.715 1.00 1.03 C ATOM 177 CZ TYR A 32 4.991 -1.237 4.667 1.00 0.81 C ATOM 178 OH TYR A 32 6.197 -0.663 4.320 1.00 0.96 O ATOM 0 H TYR A 32 0.378 -5.137 4.361 1.00 0.43 H new ATOM 0 HA TYR A 32 2.020 -4.483 6.721 1.00 0.46 H new ATOM 0 HB2 TYR A 32 0.419 -2.531 5.058 1.00 0.46 H new ATOM 0 HB3 TYR A 32 0.815 -2.249 6.742 1.00 0.46 H new ATOM 0 HD1 TYR A 32 3.172 -1.885 7.429 1.00 1.09 H new ATOM 0 HD2 TYR A 32 2.150 -2.403 3.326 1.00 0.98 H new ATOM 0 HE1 TYR A 32 5.332 -0.919 6.769 1.00 1.20 H new ATOM 0 HE2 TYR A 32 4.313 -1.444 2.669 1.00 1.03 H new ATOM 0 HH TYR A 32 6.309 -0.700 3.347 1.00 0.96 H new ATOM 188 N THR A 33 -0.195 -4.710 8.080 1.00 0.48 N ATOM 189 CA THR A 33 -1.425 -5.144 8.739 1.00 0.57 C ATOM 190 C THR A 33 -2.452 -4.011 8.771 1.00 0.56 C ATOM 191 O THR A 33 -2.094 -2.842 8.894 1.00 0.60 O ATOM 192 CB THR A 33 -1.183 -5.655 10.180 1.00 0.72 C ATOM 193 OG1 THR A 33 -0.498 -4.663 10.955 1.00 0.77 O ATOM 194 CG2 THR A 33 -0.392 -6.957 10.207 1.00 0.82 C ATOM 0 H THR A 33 0.563 -4.435 8.705 1.00 0.48 H new ATOM 0 HA THR A 33 -1.809 -5.977 8.150 1.00 0.57 H new ATOM 0 HB THR A 33 -2.163 -5.851 10.614 1.00 0.72 H new ATOM 0 HG1 THR A 33 0.303 -4.367 10.473 1.00 0.77 H new ATOM 0 HG21 THR A 33 -0.248 -7.274 11.240 1.00 0.82 H new ATOM 0 HG22 THR A 33 -0.940 -7.727 9.664 1.00 0.82 H new ATOM 0 HG23 THR A 33 0.579 -6.803 9.737 1.00 0.82 H new ATOM 202 N LEU A 34 -3.723 -4.356 8.639 1.00 0.60 N ATOM 203 CA LEU A 34 -4.795 -3.369 8.740 1.00 0.64 C ATOM 204 C LEU A 34 -4.724 -2.667 10.087 1.00 0.58 C ATOM 205 O LEU A 34 -4.914 -1.455 10.221 1.00 0.59 O ATOM 206 CB LEU A 34 -6.153 -4.047 8.604 1.00 0.86 C ATOM 207 CG LEU A 34 -7.358 -3.106 8.615 1.00 1.02 C ATOM 208 CD1 LEU A 34 -7.319 -2.162 7.418 1.00 1.23 C ATOM 209 CD2 LEU A 34 -8.639 -3.919 8.620 1.00 1.46 C ATOM 0 H LEU A 34 -4.041 -5.309 8.462 1.00 0.60 H new ATOM 0 HA LEU A 34 -4.673 -2.642 7.937 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -6.165 -4.615 7.674 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -6.266 -4.764 9.417 1.00 0.86 H new ATOM 0 HG LEU A 34 -7.323 -2.497 9.518 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -8.186 -1.502 7.447 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -6.407 -1.565 7.455 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -7.336 -2.743 6.496 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -9.497 -3.246 8.628 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -8.676 -4.544 7.728 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -8.665 -4.551 9.508 1.00 1.46 H new ATOM 221 N GLU A 35 -4.468 -3.522 11.084 1.00 0.65 N ATOM 222 CA GLU A 35 -4.450 -3.164 12.493 1.00 0.77 C ATOM 223 C GLU A 35 -3.595 -1.938 12.758 1.00 0.73 C ATOM 224 O GLU A 35 -3.974 -1.048 13.515 1.00 0.88 O ATOM 225 CB GLU A 35 -3.913 -4.354 13.295 1.00 0.94 C ATOM 226 CG GLU A 35 -4.727 -5.626 13.117 1.00 1.41 C ATOM 227 CD GLU A 35 -6.059 -5.577 13.836 1.00 1.91 C ATOM 228 OE1 GLU A 35 -6.086 -5.877 15.047 1.00 2.34 O ATOM 229 OE2 GLU A 35 -7.082 -5.249 13.202 1.00 2.56 O ATOM 0 H GLU A 35 -4.263 -4.508 10.920 1.00 0.65 H new ATOM 0 HA GLU A 35 -5.468 -2.921 12.799 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -2.883 -4.547 12.996 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -3.894 -4.090 14.352 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -4.899 -5.796 12.054 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -4.151 -6.475 13.486 1.00 1.41 H new ATOM 236 N GLU A 36 -2.427 -1.917 12.122 1.00 0.63 N ATOM 237 CA GLU A 36 -1.388 -0.950 12.433 1.00 0.74 C ATOM 238 C GLU A 36 -1.642 0.389 11.758 1.00 0.67 C ATOM 239 O GLU A 36 -1.186 1.432 12.223 1.00 0.82 O ATOM 240 CB GLU A 36 -0.031 -1.510 12.004 1.00 0.85 C ATOM 241 CG GLU A 36 0.144 -1.630 10.497 1.00 0.95 C ATOM 242 CD GLU A 36 1.492 -2.202 10.110 1.00 1.24 C ATOM 243 OE1 GLU A 36 2.496 -1.474 10.226 1.00 1.76 O ATOM 244 OE2 GLU A 36 1.543 -3.387 9.701 1.00 1.67 O ATOM 0 H GLU A 36 -2.178 -2.570 11.379 1.00 0.63 H new ATOM 0 HA GLU A 36 -1.394 -0.777 13.509 1.00 0.74 H new ATOM 0 HB2 GLU A 36 0.756 -0.869 12.400 1.00 0.85 H new ATOM 0 HB3 GLU A 36 0.103 -2.494 12.454 1.00 0.85 H new ATOM 0 HG2 GLU A 36 -0.645 -2.264 10.093 1.00 0.95 H new ATOM 0 HG3 GLU A 36 0.027 -0.646 10.042 1.00 0.95 H new ATOM 251 N ILE A 37 -2.363 0.324 10.638 1.00 0.52 N ATOM 252 CA ILE A 37 -2.608 1.480 9.790 1.00 0.50 C ATOM 253 C ILE A 37 -3.535 2.465 10.486 1.00 0.53 C ATOM 254 O ILE A 37 -3.493 3.662 10.211 1.00 0.72 O ATOM 255 CB ILE A 37 -3.204 1.052 8.425 1.00 0.49 C ATOM 256 CG1 ILE A 37 -2.258 0.076 7.723 1.00 0.51 C ATOM 257 CG2 ILE A 37 -3.462 2.258 7.530 1.00 0.54 C ATOM 258 CD1 ILE A 37 -2.834 -0.521 6.454 1.00 0.72 C ATOM 0 H ILE A 37 -2.792 -0.536 10.297 1.00 0.52 H new ATOM 0 HA ILE A 37 -1.652 1.970 9.605 1.00 0.50 H new ATOM 0 HB ILE A 37 -4.158 0.560 8.614 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -1.329 0.593 7.482 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -2.005 -0.730 8.411 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -3.880 1.924 6.580 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -4.166 2.930 8.020 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -2.525 2.784 7.349 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -2.108 -1.203 6.011 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -3.747 -1.067 6.691 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -3.061 0.277 5.747 1.00 0.72 H new ATOM 270 N GLN A 38 -4.355 1.952 11.398 1.00 0.48 N ATOM 271 CA GLN A 38 -5.213 2.786 12.231 1.00 0.52 C ATOM 272 C GLN A 38 -4.370 3.687 13.115 1.00 0.54 C ATOM 273 O GLN A 38 -4.663 4.861 13.307 1.00 0.64 O ATOM 274 CB GLN A 38 -6.114 1.903 13.097 1.00 0.56 C ATOM 275 CG GLN A 38 -7.356 1.420 12.373 1.00 0.78 C ATOM 276 CD GLN A 38 -8.400 2.519 12.225 1.00 0.72 C ATOM 277 OE1 GLN A 38 -9.305 2.647 13.051 1.00 1.11 O ATOM 278 NE2 GLN A 38 -8.273 3.344 11.197 1.00 0.74 N ATOM 0 H GLN A 38 -4.443 0.952 11.579 1.00 0.48 H new ATOM 0 HA GLN A 38 -5.834 3.407 11.586 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -5.543 1.040 13.440 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -6.413 2.461 13.984 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -7.078 1.050 11.386 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -7.789 0.581 12.918 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -7.513 3.213 10.529 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -8.935 4.110 11.073 1.00 0.74 H new ATOM 287 N LYS A 39 -3.302 3.103 13.634 1.00 0.54 N ATOM 288 CA LYS A 39 -2.415 3.760 14.585 1.00 0.62 C ATOM 289 C LYS A 39 -1.472 4.711 13.857 1.00 0.58 C ATOM 290 O LYS A 39 -0.728 5.480 14.469 1.00 0.66 O ATOM 291 CB LYS A 39 -1.624 2.680 15.326 1.00 0.77 C ATOM 292 CG LYS A 39 -1.036 3.129 16.649 1.00 1.28 C ATOM 293 CD LYS A 39 -0.593 1.931 17.470 1.00 1.57 C ATOM 294 CE LYS A 39 0.474 1.125 16.754 1.00 2.08 C ATOM 295 NZ LYS A 39 0.685 -0.193 17.397 1.00 2.52 N ATOM 0 H LYS A 39 -3.022 2.149 13.405 1.00 0.54 H new ATOM 0 HA LYS A 39 -2.995 4.347 15.297 1.00 0.62 H new ATOM 0 HB2 LYS A 39 -2.278 1.826 15.504 1.00 0.77 H new ATOM 0 HB3 LYS A 39 -0.816 2.333 14.682 1.00 0.77 H new ATOM 0 HG2 LYS A 39 -0.187 3.789 16.471 1.00 1.28 H new ATOM 0 HG3 LYS A 39 -1.776 3.705 17.205 1.00 1.28 H new ATOM 0 HD2 LYS A 39 -0.209 2.271 18.432 1.00 1.57 H new ATOM 0 HD3 LYS A 39 -1.453 1.294 17.677 1.00 1.57 H new ATOM 0 HE2 LYS A 39 0.184 0.981 15.713 1.00 2.08 H new ATOM 0 HE3 LYS A 39 1.411 1.683 16.750 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 1.421 -0.717 16.882 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 0.985 -0.054 18.383 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 -0.203 -0.734 17.378 1.00 2.52 H new ATOM 309 N HIS A 40 -1.509 4.632 12.534 1.00 0.53 N ATOM 310 CA HIS A 40 -0.621 5.384 11.673 1.00 0.56 C ATOM 311 C HIS A 40 -1.351 6.574 11.042 1.00 0.65 C ATOM 312 O HIS A 40 -0.910 7.145 10.054 1.00 0.93 O ATOM 313 CB HIS A 40 -0.076 4.453 10.585 1.00 0.56 C ATOM 314 CG HIS A 40 0.984 3.500 11.070 1.00 0.93 C ATOM 315 ND1 HIS A 40 1.037 2.174 10.706 1.00 1.08 N ATOM 316 CD2 HIS A 40 2.042 3.695 11.890 1.00 1.39 C ATOM 317 CE1 HIS A 40 2.080 1.598 11.278 1.00 1.59 C ATOM 318 NE2 HIS A 40 2.709 2.501 12.005 1.00 1.80 N ATOM 0 H HIS A 40 -2.165 4.037 12.028 1.00 0.53 H new ATOM 0 HA HIS A 40 0.205 5.778 12.266 1.00 0.56 H new ATOM 0 HB2 HIS A 40 -0.902 3.879 10.165 1.00 0.56 H new ATOM 0 HB3 HIS A 40 0.335 5.057 9.777 1.00 0.56 H new ATOM 0 HD2 HIS A 40 2.313 4.624 12.369 1.00 1.39 H new ATOM 0 HE1 HIS A 40 2.368 0.563 11.169 1.00 1.59 H new ATOM 0 HE2 HIS A 40 3.550 2.339 12.559 1.00 1.80 H new ATOM 327 N ASN A 41 -2.484 6.938 11.644 1.00 0.56 N ATOM 328 CA ASN A 41 -3.397 7.952 11.092 1.00 0.64 C ATOM 329 C ASN A 41 -2.860 9.368 11.311 1.00 0.82 C ATOM 330 O ASN A 41 -3.581 10.348 11.122 1.00 1.20 O ATOM 331 CB ASN A 41 -4.780 7.818 11.759 1.00 0.69 C ATOM 332 CG ASN A 41 -4.771 8.053 13.274 1.00 1.20 C ATOM 333 OD1 ASN A 41 -3.988 8.840 13.805 1.00 1.76 O ATOM 334 ND2 ASN A 41 -5.644 7.361 13.985 1.00 1.74 N ATOM 0 H ASN A 41 -2.799 6.541 12.529 1.00 0.56 H new ATOM 0 HA ASN A 41 -3.480 7.783 10.018 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -5.465 8.529 11.296 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -5.172 6.821 11.559 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -5.680 7.473 14.998 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -6.282 6.715 13.521 1.00 1.74 H new ATOM 341 N HIS A 42 -1.586 9.471 11.699 1.00 0.73 N ATOM 342 CA HIS A 42 -1.056 10.722 12.228 1.00 0.97 C ATOM 343 C HIS A 42 0.316 11.080 11.645 1.00 1.06 C ATOM 344 O HIS A 42 1.058 10.201 11.213 1.00 1.54 O ATOM 345 CB HIS A 42 -0.951 10.655 13.764 1.00 1.05 C ATOM 346 CG HIS A 42 0.006 9.615 14.308 1.00 0.90 C ATOM 347 ND1 HIS A 42 1.286 9.417 13.826 1.00 0.81 N ATOM 348 CD2 HIS A 42 -0.132 8.744 15.338 1.00 1.14 C ATOM 349 CE1 HIS A 42 1.886 8.478 14.534 1.00 0.87 C ATOM 350 NE2 HIS A 42 1.052 8.051 15.461 1.00 1.08 N ATOM 0 H HIS A 42 -0.911 8.708 11.656 1.00 0.73 H new ATOM 0 HA HIS A 42 -1.757 11.503 11.932 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -0.644 11.634 14.133 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -1.943 10.458 14.170 1.00 1.05 H new ATOM 0 HD1 HIS A 42 1.703 9.920 13.043 1.00 0.81 H new ATOM 0 HD2 HIS A 42 -1.012 8.617 15.951 1.00 1.14 H new ATOM 0 HE1 HIS A 42 2.893 8.119 14.379 1.00 0.87 H new ATOM 359 N SER A 43 0.635 12.377 11.746 1.00 1.01 N ATOM 360 CA SER A 43 1.892 13.009 11.302 1.00 1.12 C ATOM 361 C SER A 43 3.057 12.048 11.005 1.00 0.97 C ATOM 362 O SER A 43 3.462 11.892 9.849 1.00 1.05 O ATOM 363 CB SER A 43 2.310 14.007 12.384 1.00 1.34 C ATOM 364 OG SER A 43 2.151 13.435 13.679 1.00 2.00 O ATOM 0 H SER A 43 -0.008 13.052 12.161 1.00 1.01 H new ATOM 0 HA SER A 43 1.682 13.481 10.342 1.00 1.12 H new ATOM 0 HB2 SER A 43 3.349 14.300 12.235 1.00 1.34 H new ATOM 0 HB3 SER A 43 1.709 14.913 12.304 1.00 1.34 H new ATOM 0 HG SER A 43 2.424 14.085 14.360 1.00 2.00 H new ATOM 370 N LYS A 44 3.590 11.435 12.060 1.00 0.89 N ATOM 371 CA LYS A 44 4.806 10.601 11.997 1.00 0.89 C ATOM 372 C LYS A 44 4.787 9.517 10.916 1.00 0.77 C ATOM 373 O LYS A 44 5.842 9.083 10.456 1.00 0.94 O ATOM 374 CB LYS A 44 4.996 9.907 13.338 1.00 1.01 C ATOM 375 CG LYS A 44 5.154 10.855 14.510 1.00 1.53 C ATOM 376 CD LYS A 44 5.482 10.092 15.781 1.00 2.16 C ATOM 377 CE LYS A 44 6.887 9.519 15.736 1.00 2.63 C ATOM 378 NZ LYS A 44 7.917 10.550 16.017 1.00 3.26 N ATOM 0 H LYS A 44 3.191 11.499 12.997 1.00 0.89 H new ATOM 0 HA LYS A 44 5.618 11.284 11.748 1.00 0.89 H new ATOM 0 HB2 LYS A 44 4.140 9.258 13.523 1.00 1.01 H new ATOM 0 HB3 LYS A 44 5.876 9.266 13.282 1.00 1.01 H new ATOM 0 HG2 LYS A 44 5.945 11.574 14.298 1.00 1.53 H new ATOM 0 HG3 LYS A 44 4.235 11.424 14.649 1.00 1.53 H new ATOM 0 HD2 LYS A 44 5.385 10.755 16.641 1.00 2.16 H new ATOM 0 HD3 LYS A 44 4.762 9.285 15.919 1.00 2.16 H new ATOM 0 HE2 LYS A 44 6.973 8.713 16.464 1.00 2.63 H new ATOM 0 HE3 LYS A 44 7.069 9.083 14.754 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 8.862 10.117 15.976 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 7.853 11.308 15.307 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 7.759 10.949 16.964 1.00 3.26 H new ATOM 392 N SER A 45 3.599 9.073 10.535 1.00 0.63 N ATOM 393 CA SER A 45 3.458 7.860 9.741 1.00 0.62 C ATOM 394 C SER A 45 2.116 7.858 9.013 1.00 0.65 C ATOM 395 O SER A 45 1.459 6.825 8.898 1.00 1.05 O ATOM 396 CB SER A 45 3.544 6.657 10.687 1.00 0.65 C ATOM 397 OG SER A 45 3.685 5.437 9.976 1.00 1.31 O ATOM 0 H SER A 45 2.718 9.534 10.762 1.00 0.63 H new ATOM 0 HA SER A 45 4.250 7.809 8.994 1.00 0.62 H new ATOM 0 HB2 SER A 45 4.391 6.785 11.361 1.00 0.65 H new ATOM 0 HB3 SER A 45 2.647 6.616 11.305 1.00 0.65 H new ATOM 0 HG SER A 45 2.956 5.351 9.326 1.00 1.31 H new ATOM 403 N THR A 46 1.717 9.051 8.562 1.00 0.43 N ATOM 404 CA THR A 46 0.387 9.289 7.991 1.00 0.42 C ATOM 405 C THR A 46 0.141 8.452 6.739 1.00 0.39 C ATOM 406 O THR A 46 0.395 8.909 5.616 1.00 0.47 O ATOM 407 CB THR A 46 0.189 10.781 7.629 1.00 0.51 C ATOM 408 OG1 THR A 46 0.764 11.621 8.638 1.00 0.77 O ATOM 409 CG2 THR A 46 -1.292 11.116 7.484 1.00 0.64 C ATOM 0 H THR A 46 2.309 9.882 8.582 1.00 0.43 H new ATOM 0 HA THR A 46 -0.327 8.996 8.760 1.00 0.42 H new ATOM 0 HB THR A 46 0.688 10.960 6.677 1.00 0.51 H new ATOM 0 HG1 THR A 46 0.497 12.551 8.481 1.00 0.77 H new ATOM 0 HG21 THR A 46 -1.403 12.170 7.230 1.00 0.64 H new ATOM 0 HG22 THR A 46 -1.728 10.504 6.694 1.00 0.64 H new ATOM 0 HG23 THR A 46 -1.805 10.914 8.424 1.00 0.64 H new ATOM 417 N TRP A 47 -0.357 7.239 6.948 1.00 0.37 N ATOM 418 CA TRP A 47 -0.708 6.351 5.851 1.00 0.36 C ATOM 419 C TRP A 47 -2.189 6.455 5.514 1.00 0.37 C ATOM 420 O TRP A 47 -2.968 7.067 6.248 1.00 0.50 O ATOM 421 CB TRP A 47 -0.398 4.886 6.177 1.00 0.37 C ATOM 422 CG TRP A 47 1.053 4.574 6.367 1.00 0.36 C ATOM 423 CD1 TRP A 47 2.126 5.366 6.070 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.587 3.348 6.867 1.00 0.37 C ATOM 425 NE1 TRP A 47 3.296 4.718 6.396 1.00 0.40 N ATOM 426 CE2 TRP A 47 2.990 3.475 6.884 1.00 0.40 C ATOM 427 CE3 TRP A 47 1.008 2.164 7.326 1.00 0.40 C ATOM 428 CZ2 TRP A 47 3.818 2.448 7.325 1.00 0.45 C ATOM 429 CZ3 TRP A 47 1.834 1.147 7.757 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.225 1.299 7.762 1.00 0.47 C ATOM 0 H TRP A 47 -0.527 6.848 7.875 1.00 0.37 H new ATOM 0 HA TRP A 47 -0.104 6.667 5.000 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -0.935 4.610 7.084 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -0.787 4.261 5.373 1.00 0.37 H new ATOM 0 HD1 TRP A 47 2.065 6.356 5.642 1.00 0.38 H new ATOM 0 HE1 TRP A 47 4.236 5.100 6.291 1.00 0.40 H new ATOM 0 HE3 TRP A 47 -0.065 2.046 7.343 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 4.893 2.556 7.322 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 1.400 0.218 8.096 1.00 0.45 H new ATOM 0 HH2 TRP A 47 3.843 0.489 8.120 1.00 0.47 H new ATOM 441 N LEU A 48 -2.569 5.816 4.419 1.00 0.31 N ATOM 442 CA LEU A 48 -3.962 5.681 4.049 1.00 0.31 C ATOM 443 C LEU A 48 -4.139 4.474 3.141 1.00 0.28 C ATOM 444 O LEU A 48 -3.172 3.794 2.797 1.00 0.29 O ATOM 445 CB LEU A 48 -4.511 6.939 3.354 1.00 0.37 C ATOM 446 CG LEU A 48 -3.928 7.245 1.971 1.00 0.45 C ATOM 447 CD1 LEU A 48 -4.805 8.248 1.242 1.00 0.60 C ATOM 448 CD2 LEU A 48 -2.510 7.780 2.073 1.00 0.55 C ATOM 0 H LEU A 48 -1.919 5.379 3.765 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.530 5.545 4.970 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -5.592 6.835 3.257 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.330 7.797 4.002 1.00 0.37 H new ATOM 0 HG LEU A 48 -3.900 6.312 1.408 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -4.380 8.457 0.260 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -5.807 7.836 1.123 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -4.858 9.171 1.819 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -2.126 7.987 1.074 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -2.509 8.699 2.659 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -1.876 7.039 2.559 1.00 0.55 H new ATOM 460 N ILE A 49 -5.372 4.211 2.776 1.00 0.34 N ATOM 461 CA ILE A 49 -5.696 3.155 1.836 1.00 0.36 C ATOM 462 C ILE A 49 -6.674 3.715 0.801 1.00 0.42 C ATOM 463 O ILE A 49 -7.413 4.640 1.101 1.00 0.65 O ATOM 464 CB ILE A 49 -6.331 1.933 2.560 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.419 1.429 3.692 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.607 0.814 1.570 1.00 0.49 C ATOM 467 CD1 ILE A 49 -6.010 0.294 4.503 1.00 0.46 C ATOM 0 H ILE A 49 -6.184 4.723 3.122 1.00 0.34 H new ATOM 0 HA ILE A 49 -4.782 2.813 1.351 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.275 2.254 2.999 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.473 1.100 3.263 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -5.194 2.260 4.360 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -7.051 -0.033 2.093 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -7.296 1.168 0.803 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -5.673 0.503 1.103 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -5.306 -0.003 5.280 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -6.941 0.623 4.964 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -6.209 -0.555 3.849 1.00 0.46 H new ATOM 479 N LEU A 50 -6.640 3.211 -0.421 1.00 0.41 N ATOM 480 CA LEU A 50 -7.609 3.640 -1.427 1.00 0.53 C ATOM 481 C LEU A 50 -8.322 2.458 -2.056 1.00 0.78 C ATOM 482 O LEU A 50 -9.428 2.598 -2.571 1.00 1.77 O ATOM 483 CB LEU A 50 -6.933 4.464 -2.518 1.00 0.49 C ATOM 484 CG LEU A 50 -6.536 5.882 -2.105 1.00 0.49 C ATOM 485 CD1 LEU A 50 -5.814 6.583 -3.242 1.00 0.93 C ATOM 486 CD2 LEU A 50 -7.767 6.676 -1.692 1.00 0.99 C ATOM 0 H LEU A 50 -5.966 2.516 -0.741 1.00 0.41 H new ATOM 0 HA LEU A 50 -8.347 4.258 -0.915 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -6.040 3.935 -2.851 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -7.605 4.526 -3.374 1.00 0.49 H new ATOM 0 HG LEU A 50 -5.860 5.818 -1.252 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -5.538 7.591 -2.932 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -4.915 6.024 -3.501 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -6.470 6.638 -4.111 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -7.469 7.683 -1.401 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -8.462 6.731 -2.530 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -8.252 6.183 -0.850 1.00 0.99 H new ATOM 498 N HIS A 51 -7.660 1.309 -2.035 1.00 0.67 N ATOM 499 CA HIS A 51 -8.199 0.083 -2.618 1.00 0.73 C ATOM 500 C HIS A 51 -7.193 -1.063 -2.491 1.00 0.82 C ATOM 501 O HIS A 51 -6.456 -1.343 -3.437 1.00 1.80 O ATOM 502 CB HIS A 51 -8.629 0.292 -4.094 1.00 0.79 C ATOM 503 CG HIS A 51 -7.578 0.847 -5.012 1.00 1.23 C ATOM 504 ND1 HIS A 51 -7.016 2.077 -5.088 1.00 1.87 N flip ATOM 505 CD2 HIS A 51 -7.007 0.107 -6.024 1.00 1.56 C flip ATOM 506 CE1 HIS A 51 -6.126 2.052 -6.130 1.00 2.45 C flip ATOM 507 NE2 HIS A 51 -6.139 0.850 -6.676 1.00 2.30 N flip ATOM 0 H HIS A 51 -6.737 1.198 -1.615 1.00 0.67 H new ATOM 0 HA HIS A 51 -9.094 -0.186 -2.057 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -8.964 -0.665 -4.493 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -9.488 0.962 -4.110 1.00 0.79 H new ATOM 0 HD2 HIS A 51 -7.237 -0.924 -6.248 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -5.513 2.881 -6.452 1.00 2.45 H new ATOM 0 HE2 HIS A 51 -5.572 0.549 -7.469 1.00 2.30 H new ATOM 516 N HIS A 52 -7.135 -1.700 -1.320 1.00 0.46 N ATOM 517 CA HIS A 52 -6.265 -2.864 -1.111 1.00 0.42 C ATOM 518 C HIS A 52 -4.789 -2.503 -1.319 1.00 0.43 C ATOM 519 O HIS A 52 -3.993 -3.331 -1.759 1.00 0.81 O ATOM 520 CB HIS A 52 -6.639 -3.998 -2.065 1.00 0.58 C ATOM 521 CG HIS A 52 -8.000 -4.592 -1.828 1.00 1.12 C ATOM 522 ND1 HIS A 52 -8.192 -5.840 -1.280 1.00 1.75 N ATOM 523 CD2 HIS A 52 -9.239 -4.109 -2.082 1.00 1.81 C ATOM 524 CE1 HIS A 52 -9.484 -6.101 -1.218 1.00 2.34 C ATOM 525 NE2 HIS A 52 -10.147 -5.068 -1.698 1.00 2.36 N ATOM 0 H HIS A 52 -7.679 -1.431 -0.500 1.00 0.46 H new ATOM 0 HA HIS A 52 -6.408 -3.191 -0.081 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -6.593 -3.625 -3.088 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -5.893 -4.788 -1.980 1.00 0.58 H new ATOM 0 HD1 HIS A 52 -7.450 -6.467 -0.970 1.00 1.75 H new ATOM 0 HD2 HIS A 52 -9.472 -3.145 -2.509 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -9.925 -7.010 -0.837 1.00 2.34 H new ATOM 534 N LYS A 53 -4.451 -1.242 -1.070 1.00 0.33 N ATOM 535 CA LYS A 53 -3.055 -0.797 -1.044 1.00 0.36 C ATOM 536 C LYS A 53 -2.885 0.256 0.026 1.00 0.29 C ATOM 537 O LYS A 53 -3.747 1.124 0.181 1.00 0.32 O ATOM 538 CB LYS A 53 -2.553 -0.206 -2.375 1.00 0.45 C ATOM 539 CG LYS A 53 -2.278 -1.223 -3.467 1.00 0.66 C ATOM 540 CD LYS A 53 -3.495 -1.450 -4.343 1.00 0.95 C ATOM 541 CE LYS A 53 -3.179 -2.372 -5.509 1.00 1.25 C ATOM 542 NZ LYS A 53 -2.589 -3.657 -5.060 1.00 1.76 N ATOM 0 H LYS A 53 -5.128 -0.502 -0.882 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.464 -1.691 -0.844 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -3.293 0.506 -2.741 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -1.638 0.355 -2.184 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -1.446 -0.880 -4.082 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -1.973 -2.167 -3.016 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -4.299 -1.880 -3.746 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -3.855 -0.494 -4.722 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -4.091 -2.569 -6.072 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -2.487 -1.873 -6.188 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -2.562 -4.324 -5.858 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 -1.623 -3.493 -4.713 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -3.169 -4.057 -4.295 1.00 1.76 H new ATOM 556 N VAL A 54 -1.781 0.193 0.735 1.00 0.27 N ATOM 557 CA VAL A 54 -1.459 1.192 1.734 1.00 0.25 C ATOM 558 C VAL A 54 -0.531 2.241 1.113 1.00 0.23 C ATOM 559 O VAL A 54 0.392 1.906 0.365 1.00 0.25 O ATOM 560 CB VAL A 54 -0.815 0.527 2.978 1.00 0.28 C ATOM 561 CG1 VAL A 54 0.488 -0.175 2.631 1.00 0.30 C ATOM 562 CG2 VAL A 54 -0.619 1.528 4.110 1.00 0.32 C ATOM 0 H VAL A 54 -1.084 -0.546 0.638 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.371 1.687 2.068 1.00 0.25 H new ATOM 0 HB VAL A 54 -1.511 -0.235 3.329 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.908 -0.628 3.529 1.00 0.30 H new ATOM 0 HG12 VAL A 54 0.297 -0.950 1.889 1.00 0.30 H new ATOM 0 HG13 VAL A 54 1.195 0.549 2.226 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.166 1.026 4.965 1.00 0.32 H new ATOM 0 HG22 VAL A 54 0.034 2.334 3.774 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -1.585 1.941 4.402 1.00 0.32 H new ATOM 572 N TYR A 55 -0.808 3.505 1.364 1.00 0.23 N ATOM 573 CA TYR A 55 -0.015 4.576 0.790 1.00 0.25 C ATOM 574 C TYR A 55 0.648 5.379 1.898 1.00 0.27 C ATOM 575 O TYR A 55 0.261 5.263 3.060 1.00 0.35 O ATOM 576 CB TYR A 55 -0.879 5.503 -0.066 1.00 0.27 C ATOM 577 CG TYR A 55 -1.477 4.864 -1.303 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.485 3.915 -1.203 1.00 0.74 C ATOM 579 CD2 TYR A 55 -1.046 5.226 -2.573 1.00 0.83 C ATOM 580 CE1 TYR A 55 -3.043 3.340 -2.327 1.00 0.77 C ATOM 581 CE2 TYR A 55 -1.603 4.658 -3.707 1.00 0.85 C ATOM 582 CZ TYR A 55 -2.602 3.712 -3.576 1.00 0.42 C ATOM 583 OH TYR A 55 -3.159 3.135 -4.700 1.00 0.49 O ATOM 0 H TYR A 55 -1.575 3.816 1.960 1.00 0.23 H new ATOM 0 HA TYR A 55 0.748 4.129 0.153 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.689 5.891 0.551 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.275 6.357 -0.373 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -2.840 3.621 -0.226 1.00 0.74 H new ATOM 0 HD2 TYR A 55 -0.263 5.963 -2.678 1.00 0.83 H new ATOM 0 HE1 TYR A 55 -3.823 2.600 -2.226 1.00 0.77 H new ATOM 0 HE2 TYR A 55 -1.259 4.953 -4.687 1.00 0.85 H new ATOM 0 HH TYR A 55 -2.737 3.508 -5.502 1.00 0.49 H new ATOM 593 N ASP A 56 1.618 6.204 1.533 1.00 0.34 N ATOM 594 CA ASP A 56 2.283 7.086 2.482 1.00 0.38 C ATOM 595 C ASP A 56 2.143 8.521 2.014 1.00 0.38 C ATOM 596 O ASP A 56 2.263 8.786 0.819 1.00 0.48 O ATOM 597 CB ASP A 56 3.773 6.726 2.623 1.00 0.47 C ATOM 598 CG ASP A 56 4.623 7.849 3.190 1.00 0.63 C ATOM 599 OD1 ASP A 56 4.340 8.305 4.307 1.00 1.32 O ATOM 600 OD2 ASP A 56 5.587 8.275 2.512 1.00 0.94 O ATOM 0 H ASP A 56 1.965 6.281 0.577 1.00 0.34 H new ATOM 0 HA ASP A 56 1.812 6.966 3.458 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.867 5.851 3.267 1.00 0.47 H new ATOM 0 HB3 ASP A 56 4.164 6.445 1.645 1.00 0.47 H new ATOM 605 N LEU A 57 1.893 9.447 2.916 1.00 0.37 N ATOM 606 CA LEU A 57 1.946 10.858 2.551 1.00 0.39 C ATOM 607 C LEU A 57 2.868 11.643 3.475 1.00 0.51 C ATOM 608 O LEU A 57 2.864 12.863 3.411 1.00 1.12 O ATOM 609 CB LEU A 57 0.582 11.541 2.615 1.00 0.45 C ATOM 610 CG LEU A 57 -0.583 10.806 1.964 1.00 0.53 C ATOM 611 CD1 LEU A 57 -1.883 11.590 2.133 1.00 1.35 C ATOM 612 CD2 LEU A 57 -0.279 10.583 0.496 1.00 1.27 C ATOM 0 H LEU A 57 1.655 9.260 3.890 1.00 0.37 H new ATOM 0 HA LEU A 57 2.316 10.863 1.526 1.00 0.39 H new ATOM 0 HB2 LEU A 57 0.335 11.710 3.663 1.00 0.45 H new ATOM 0 HB3 LEU A 57 0.670 12.521 2.147 1.00 0.45 H new ATOM 0 HG LEU A 57 -0.713 9.841 2.454 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -2.700 11.046 1.660 1.00 1.35 H new ATOM 0 HD12 LEU A 57 -2.097 11.716 3.194 1.00 1.35 H new ATOM 0 HD13 LEU A 57 -1.781 12.569 1.665 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -1.111 10.057 0.028 1.00 1.27 H new ATOM 0 HD22 LEU A 57 -0.135 11.545 0.004 1.00 1.27 H new ATOM 0 HD23 LEU A 57 0.628 9.986 0.399 1.00 1.27 H new ATOM 624 N THR A 58 3.667 10.965 4.302 1.00 0.54 N ATOM 625 CA THR A 58 4.438 11.642 5.368 1.00 0.56 C ATOM 626 C THR A 58 5.088 12.947 4.882 1.00 0.66 C ATOM 627 O THR A 58 4.952 14.002 5.494 1.00 1.15 O ATOM 628 CB THR A 58 5.552 10.732 5.937 1.00 0.65 C ATOM 629 OG1 THR A 58 6.222 10.051 4.862 1.00 1.43 O ATOM 630 CG2 THR A 58 5.019 9.717 6.956 1.00 1.12 C ATOM 0 H THR A 58 3.802 9.955 4.262 1.00 0.54 H new ATOM 0 HA THR A 58 3.712 11.871 6.148 1.00 0.56 H new ATOM 0 HB THR A 58 6.257 11.373 6.466 1.00 0.65 H new ATOM 0 HG1 THR A 58 5.796 9.181 4.710 1.00 1.43 H new ATOM 0 HG21 THR A 58 5.842 9.104 7.324 1.00 1.12 H new ATOM 0 HG22 THR A 58 4.560 10.246 7.791 1.00 1.12 H new ATOM 0 HG23 THR A 58 4.276 9.078 6.479 1.00 1.12 H new ATOM 638 N LYS A 59 5.774 12.838 3.762 1.00 0.57 N ATOM 639 CA LYS A 59 6.506 13.941 3.151 1.00 0.58 C ATOM 640 C LYS A 59 5.606 14.778 2.234 1.00 0.48 C ATOM 641 O LYS A 59 5.955 15.885 1.823 1.00 0.54 O ATOM 642 CB LYS A 59 7.649 13.331 2.350 1.00 0.69 C ATOM 643 CG LYS A 59 7.170 12.364 1.274 1.00 1.37 C ATOM 644 CD LYS A 59 8.301 11.486 0.780 1.00 1.96 C ATOM 645 CE LYS A 59 8.901 10.651 1.906 1.00 2.58 C ATOM 646 NZ LYS A 59 7.918 9.706 2.512 1.00 3.59 N ATOM 0 H LYS A 59 5.843 11.966 3.237 1.00 0.57 H new ATOM 0 HA LYS A 59 6.878 14.612 3.925 1.00 0.58 H new ATOM 0 HB2 LYS A 59 8.225 14.130 1.883 1.00 0.69 H new ATOM 0 HB3 LYS A 59 8.322 12.807 3.029 1.00 0.69 H new ATOM 0 HG2 LYS A 59 6.370 11.740 1.673 1.00 1.37 H new ATOM 0 HG3 LYS A 59 6.751 12.925 0.439 1.00 1.37 H new ATOM 0 HD2 LYS A 59 7.933 10.826 -0.006 1.00 1.96 H new ATOM 0 HD3 LYS A 59 9.077 12.109 0.335 1.00 1.96 H new ATOM 0 HE2 LYS A 59 9.750 10.087 1.521 1.00 2.58 H new ATOM 0 HE3 LYS A 59 9.284 11.315 2.680 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 8.404 8.829 2.787 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 7.490 10.143 3.353 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 7.174 9.487 1.819 1.00 3.59 H new ATOM 660 N PHE A 60 4.448 14.214 1.916 1.00 0.40 N ATOM 661 CA PHE A 60 3.546 14.729 0.886 1.00 0.35 C ATOM 662 C PHE A 60 2.542 15.728 1.448 1.00 0.36 C ATOM 663 O PHE A 60 1.869 16.434 0.691 1.00 0.40 O ATOM 664 CB PHE A 60 2.781 13.560 0.259 1.00 0.37 C ATOM 665 CG PHE A 60 2.198 13.863 -1.078 1.00 0.76 C ATOM 666 CD1 PHE A 60 2.910 14.586 -2.014 1.00 1.40 C ATOM 667 CD2 PHE A 60 0.924 13.430 -1.397 1.00 1.62 C ATOM 668 CE1 PHE A 60 2.363 14.872 -3.246 1.00 1.72 C ATOM 669 CE2 PHE A 60 0.370 13.713 -2.623 1.00 2.01 C ATOM 670 CZ PHE A 60 1.139 14.419 -3.578 1.00 1.72 C ATOM 0 H PHE A 60 4.100 13.371 2.373 1.00 0.40 H new ATOM 0 HA PHE A 60 4.153 15.245 0.142 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.454 12.708 0.165 1.00 0.37 H new ATOM 0 HB3 PHE A 60 1.979 13.261 0.934 1.00 0.37 H new ATOM 0 HD1 PHE A 60 3.906 14.931 -1.778 1.00 1.40 H new ATOM 0 HD2 PHE A 60 0.357 12.862 -0.674 1.00 1.62 H new ATOM 0 HE1 PHE A 60 2.922 15.466 -3.953 1.00 1.72 H new ATOM 0 HE2 PHE A 60 -0.638 13.401 -2.854 1.00 2.01 H new ATOM 0 HZ PHE A 60 0.746 14.594 -4.569 1.00 1.72 H new ATOM 680 N LEU A 61 2.461 15.766 2.772 1.00 0.38 N ATOM 681 CA LEU A 61 1.438 16.536 3.497 1.00 0.44 C ATOM 682 C LEU A 61 1.384 18.001 3.067 1.00 0.47 C ATOM 683 O LEU A 61 0.329 18.631 3.114 1.00 0.60 O ATOM 684 CB LEU A 61 1.707 16.448 5.008 1.00 0.50 C ATOM 685 CG LEU A 61 1.574 15.042 5.617 1.00 0.56 C ATOM 686 CD1 LEU A 61 1.922 15.051 7.103 1.00 0.72 C ATOM 687 CD2 LEU A 61 0.166 14.503 5.423 1.00 0.61 C ATOM 0 H LEU A 61 3.104 15.263 3.384 1.00 0.38 H new ATOM 0 HA LEU A 61 0.470 16.097 3.255 1.00 0.44 H new ATOM 0 HB2 LEU A 61 2.714 16.817 5.204 1.00 0.50 H new ATOM 0 HB3 LEU A 61 1.017 17.116 5.523 1.00 0.50 H new ATOM 0 HG LEU A 61 2.278 14.391 5.099 1.00 0.56 H new ATOM 0 HD11 LEU A 61 1.819 14.044 7.507 1.00 0.72 H new ATOM 0 HD12 LEU A 61 2.949 15.391 7.234 1.00 0.72 H new ATOM 0 HD13 LEU A 61 1.247 15.724 7.631 1.00 0.72 H new ATOM 0 HD21 LEU A 61 0.094 13.508 5.861 1.00 0.61 H new ATOM 0 HD22 LEU A 61 -0.548 15.167 5.911 1.00 0.61 H new ATOM 0 HD23 LEU A 61 -0.059 14.448 4.358 1.00 0.61 H new ATOM 699 N GLU A 62 2.530 18.536 2.651 1.00 0.46 N ATOM 700 CA GLU A 62 2.661 19.961 2.354 1.00 0.55 C ATOM 701 C GLU A 62 2.714 20.223 0.844 1.00 0.53 C ATOM 702 O GLU A 62 2.815 21.368 0.400 1.00 0.72 O ATOM 703 CB GLU A 62 3.924 20.482 3.038 1.00 0.68 C ATOM 704 CG GLU A 62 5.189 19.740 2.643 1.00 0.99 C ATOM 705 CD GLU A 62 6.394 20.227 3.414 1.00 1.22 C ATOM 706 OE1 GLU A 62 7.040 21.195 2.963 1.00 1.60 O ATOM 707 OE2 GLU A 62 6.687 19.661 4.487 1.00 1.62 O ATOM 0 H GLU A 62 3.387 18.000 2.511 1.00 0.46 H new ATOM 0 HA GLU A 62 1.785 20.487 2.733 1.00 0.55 H new ATOM 0 HB2 GLU A 62 4.045 21.539 2.799 1.00 0.68 H new ATOM 0 HB3 GLU A 62 3.796 20.412 4.118 1.00 0.68 H new ATOM 0 HG2 GLU A 62 5.053 18.673 2.818 1.00 0.99 H new ATOM 0 HG3 GLU A 62 5.366 19.868 1.575 1.00 0.99 H new ATOM 714 N GLU A 63 2.654 19.144 0.079 1.00 0.42 N ATOM 715 CA GLU A 63 2.763 19.198 -1.376 1.00 0.48 C ATOM 716 C GLU A 63 1.423 18.863 -2.035 1.00 0.46 C ATOM 717 O GLU A 63 1.192 19.181 -3.207 1.00 0.66 O ATOM 718 CB GLU A 63 3.832 18.205 -1.837 1.00 0.59 C ATOM 719 CG GLU A 63 5.258 18.688 -1.628 1.00 1.05 C ATOM 720 CD GLU A 63 5.614 19.856 -2.524 1.00 1.31 C ATOM 721 OE1 GLU A 63 5.964 19.631 -3.695 1.00 2.03 O ATOM 722 OE2 GLU A 63 5.547 21.011 -2.048 1.00 1.83 O ATOM 0 H GLU A 63 2.528 18.202 0.448 1.00 0.42 H new ATOM 0 HA GLU A 63 3.044 20.209 -1.672 1.00 0.48 H new ATOM 0 HB2 GLU A 63 3.696 17.266 -1.301 1.00 0.59 H new ATOM 0 HB3 GLU A 63 3.683 17.993 -2.896 1.00 0.59 H new ATOM 0 HG2 GLU A 63 5.390 18.981 -0.586 1.00 1.05 H new ATOM 0 HG3 GLU A 63 5.948 17.866 -1.818 1.00 1.05 H new ATOM 729 N HIS A 64 0.567 18.177 -1.277 1.00 0.33 N ATOM 730 CA HIS A 64 -0.790 17.863 -1.704 1.00 0.32 C ATOM 731 C HIS A 64 -1.744 18.870 -1.097 1.00 0.42 C ATOM 732 O HIS A 64 -1.562 19.259 0.057 1.00 0.52 O ATOM 733 CB HIS A 64 -1.185 16.454 -1.248 1.00 0.38 C ATOM 734 CG HIS A 64 -2.601 15.975 -1.545 1.00 0.36 C ATOM 735 ND1 HIS A 64 -3.689 16.170 -0.702 1.00 0.44 N ATOM 736 CD2 HIS A 64 -3.042 15.243 -2.620 1.00 0.34 C ATOM 737 CE1 HIS A 64 -4.754 15.560 -1.255 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.393 14.992 -2.408 1.00 0.36 N ATOM 0 H HIS A 64 0.799 17.824 -0.348 1.00 0.33 H new ATOM 0 HA HIS A 64 -0.838 17.905 -2.792 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -0.491 15.749 -1.706 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -1.033 16.397 -0.170 1.00 0.38 H new ATOM 0 HD1 HIS A 64 -3.682 16.684 0.179 1.00 0.44 H new ATOM 0 HD2 HIS A 64 -2.453 14.924 -3.467 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -5.747 15.534 -0.831 1.00 0.43 H new ATOM 746 N PRO A 65 -2.771 19.309 -1.851 1.00 0.51 N ATOM 747 CA PRO A 65 -3.750 20.267 -1.341 1.00 0.73 C ATOM 748 C PRO A 65 -4.552 19.735 -0.145 1.00 0.90 C ATOM 749 O PRO A 65 -4.117 18.850 0.594 1.00 1.46 O ATOM 750 CB PRO A 65 -4.664 20.549 -2.542 1.00 0.96 C ATOM 751 CG PRO A 65 -4.445 19.406 -3.478 1.00 0.81 C ATOM 752 CD PRO A 65 -3.040 18.929 -3.251 1.00 0.55 C ATOM 0 HA PRO A 65 -3.260 21.162 -0.956 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -5.708 20.613 -2.236 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -4.412 21.498 -3.014 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -5.161 18.607 -3.288 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -4.585 19.720 -4.512 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -2.952 17.853 -3.399 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -2.339 19.403 -3.938 1.00 0.55 H new ATOM 760 N GLY A 66 -5.738 20.288 0.041 1.00 1.08 N ATOM 761 CA GLY A 66 -6.596 19.862 1.124 1.00 1.38 C ATOM 762 C GLY A 66 -6.265 20.571 2.418 1.00 1.38 C ATOM 763 O GLY A 66 -7.143 21.148 3.062 1.00 2.03 O ATOM 0 H GLY A 66 -6.124 21.030 -0.543 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -7.636 20.054 0.860 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -6.497 18.786 1.264 1.00 1.38 H new ATOM 767 N GLY A 67 -4.997 20.526 2.801 1.00 1.25 N ATOM 768 CA GLY A 67 -4.546 21.288 3.947 1.00 1.70 C ATOM 769 C GLY A 67 -4.185 20.429 5.138 1.00 1.24 C ATOM 770 O GLY A 67 -4.520 20.785 6.266 1.00 1.66 O ATOM 0 H GLY A 67 -4.273 19.976 2.339 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -3.678 21.881 3.660 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -5.328 21.989 4.238 1.00 1.70 H new ATOM 774 N GLU A 68 -3.508 19.301 4.879 1.00 1.38 N ATOM 775 CA GLU A 68 -3.022 18.397 5.936 1.00 1.18 C ATOM 776 C GLU A 68 -4.172 17.760 6.700 1.00 0.94 C ATOM 777 O GLU A 68 -4.501 16.594 6.499 1.00 0.98 O ATOM 778 CB GLU A 68 -2.118 19.172 6.914 1.00 1.50 C ATOM 779 CG GLU A 68 -1.284 18.316 7.872 1.00 1.48 C ATOM 780 CD GLU A 68 -2.090 17.488 8.862 1.00 2.09 C ATOM 781 OE1 GLU A 68 -2.696 18.079 9.779 1.00 2.25 O ATOM 782 OE2 GLU A 68 -2.151 16.248 8.705 1.00 2.88 O ATOM 0 H GLU A 68 -3.282 18.989 3.935 1.00 1.38 H new ATOM 0 HA GLU A 68 -2.452 17.601 5.457 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -1.441 19.799 6.334 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -2.744 19.841 7.505 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -0.658 17.644 7.284 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -0.613 18.970 8.429 1.00 1.48 H new ATOM 789 N GLU A 69 -4.795 18.572 7.532 1.00 0.91 N ATOM 790 CA GLU A 69 -5.713 18.124 8.563 1.00 0.84 C ATOM 791 C GLU A 69 -6.772 17.164 8.017 1.00 0.75 C ATOM 792 O GLU A 69 -6.983 16.079 8.555 1.00 0.78 O ATOM 793 CB GLU A 69 -6.380 19.349 9.183 1.00 0.97 C ATOM 794 CG GLU A 69 -7.047 19.079 10.517 1.00 1.64 C ATOM 795 CD GLU A 69 -7.413 20.351 11.247 1.00 1.97 C ATOM 796 OE1 GLU A 69 -6.581 21.275 11.291 1.00 2.63 O ATOM 797 OE2 GLU A 69 -8.556 20.443 11.754 1.00 2.27 O ATOM 0 H GLU A 69 -4.675 19.585 7.510 1.00 0.91 H new ATOM 0 HA GLU A 69 -5.148 17.573 9.315 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -5.631 20.130 9.314 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -7.125 19.735 8.487 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -7.946 18.484 10.357 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -6.379 18.485 11.141 1.00 1.64 H new ATOM 804 N VAL A 70 -7.429 17.579 6.937 1.00 0.79 N ATOM 805 CA VAL A 70 -8.555 16.835 6.391 1.00 0.86 C ATOM 806 C VAL A 70 -8.097 15.584 5.623 1.00 0.82 C ATOM 807 O VAL A 70 -8.919 14.779 5.196 1.00 1.01 O ATOM 808 CB VAL A 70 -9.422 17.745 5.486 1.00 1.09 C ATOM 809 CG1 VAL A 70 -8.694 18.090 4.193 1.00 1.96 C ATOM 810 CG2 VAL A 70 -10.785 17.125 5.197 1.00 1.41 C ATOM 0 H VAL A 70 -7.198 18.429 6.423 1.00 0.79 H new ATOM 0 HA VAL A 70 -9.161 16.497 7.231 1.00 0.86 H new ATOM 0 HB VAL A 70 -9.596 18.671 6.034 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -9.327 18.730 3.578 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -7.767 18.614 4.426 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -8.466 17.174 3.648 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -11.362 17.795 4.559 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -10.650 16.169 4.691 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -11.319 16.967 6.134 1.00 1.41 H new ATOM 820 N LEU A 71 -6.786 15.423 5.463 1.00 0.72 N ATOM 821 CA LEU A 71 -6.238 14.203 4.874 1.00 0.74 C ATOM 822 C LEU A 71 -6.377 13.067 5.876 1.00 0.70 C ATOM 823 O LEU A 71 -6.833 11.971 5.558 1.00 0.77 O ATOM 824 CB LEU A 71 -4.758 14.373 4.486 1.00 0.84 C ATOM 825 CG LEU A 71 -4.490 14.950 3.093 1.00 1.10 C ATOM 826 CD1 LEU A 71 -4.982 13.996 2.024 1.00 1.62 C ATOM 827 CD2 LEU A 71 -5.137 16.319 2.928 1.00 1.69 C ATOM 0 H LEU A 71 -6.087 16.116 5.731 1.00 0.72 H new ATOM 0 HA LEU A 71 -6.795 13.980 3.964 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -4.282 15.020 5.223 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -4.271 13.400 4.554 1.00 0.84 H new ATOM 0 HG LEU A 71 -3.413 15.075 2.982 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -4.785 14.420 1.039 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -4.462 13.043 2.120 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -6.054 13.838 2.143 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -4.929 16.702 1.929 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -6.215 16.231 3.065 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -4.731 17.005 3.671 1.00 1.69 H new ATOM 839 N ARG A 72 -5.970 13.383 7.109 1.00 0.70 N ATOM 840 CA ARG A 72 -5.968 12.447 8.232 1.00 0.78 C ATOM 841 C ARG A 72 -7.354 11.915 8.536 1.00 0.92 C ATOM 842 O ARG A 72 -7.519 10.821 9.063 1.00 1.03 O ATOM 843 CB ARG A 72 -5.422 13.147 9.467 1.00 0.77 C ATOM 844 CG ARG A 72 -3.935 13.429 9.392 1.00 1.42 C ATOM 845 CD ARG A 72 -3.453 14.113 10.656 1.00 1.49 C ATOM 846 NE ARG A 72 -3.912 13.419 11.857 1.00 2.11 N ATOM 847 CZ ARG A 72 -4.072 14.014 13.040 1.00 2.48 C ATOM 848 NH1 ARG A 72 -3.687 15.276 13.210 1.00 2.24 N ATOM 849 NH2 ARG A 72 -4.600 13.342 14.057 1.00 3.47 N ATOM 0 H ARG A 72 -5.628 14.311 7.356 1.00 0.70 H new ATOM 0 HA ARG A 72 -5.339 11.601 7.956 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -5.956 14.087 9.608 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -5.624 12.531 10.343 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -3.390 12.496 9.247 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -3.723 14.059 8.528 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -2.364 14.155 10.654 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -3.811 15.142 10.672 1.00 1.49 H new ATOM 0 HE ARG A 72 -4.122 12.423 11.787 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -3.269 15.790 12.435 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -3.810 15.729 14.115 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -4.884 12.370 13.934 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -4.722 13.798 14.961 1.00 3.47 H new ATOM 863 N GLU A 73 -8.341 12.753 8.216 1.00 1.13 N ATOM 864 CA GLU A 73 -9.744 12.502 8.523 1.00 1.55 C ATOM 865 C GLU A 73 -10.255 11.268 7.795 1.00 1.28 C ATOM 866 O GLU A 73 -11.192 10.609 8.244 1.00 1.60 O ATOM 867 CB GLU A 73 -10.565 13.730 8.131 1.00 1.97 C ATOM 868 CG GLU A 73 -12.023 13.663 8.556 1.00 2.63 C ATOM 869 CD GLU A 73 -12.707 15.006 8.443 1.00 3.18 C ATOM 870 OE1 GLU A 73 -13.158 15.358 7.337 1.00 3.65 O ATOM 871 OE2 GLU A 73 -12.790 15.722 9.465 1.00 3.55 O ATOM 0 H GLU A 73 -8.183 13.636 7.730 1.00 1.13 H new ATOM 0 HA GLU A 73 -9.845 12.316 9.592 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -10.109 14.615 8.574 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -10.518 13.855 7.049 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -12.548 12.935 7.937 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -12.085 13.310 9.585 1.00 2.63 H new ATOM 878 N GLN A 74 -9.632 10.984 6.661 1.00 0.77 N ATOM 879 CA GLN A 74 -9.982 9.837 5.837 1.00 0.62 C ATOM 880 C GLN A 74 -8.828 8.840 5.849 1.00 0.56 C ATOM 881 O GLN A 74 -8.857 7.829 5.157 1.00 0.64 O ATOM 882 CB GLN A 74 -10.252 10.294 4.396 1.00 0.63 C ATOM 883 CG GLN A 74 -11.394 11.303 4.247 1.00 0.76 C ATOM 884 CD GLN A 74 -12.760 10.724 4.567 1.00 1.00 C ATOM 885 OE1 GLN A 74 -13.215 10.765 5.710 1.00 1.57 O ATOM 886 NE2 GLN A 74 -13.437 10.198 3.555 1.00 1.68 N ATOM 0 H GLN A 74 -8.867 11.544 6.285 1.00 0.77 H new ATOM 0 HA GLN A 74 -10.880 9.365 6.235 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -9.341 10.735 3.993 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -10.478 9.418 3.788 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -11.205 12.152 4.904 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -11.400 11.684 3.226 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -13.027 10.182 2.621 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -14.367 9.810 3.711 1.00 1.68 H new ATOM 895 N ALA A 75 -7.806 9.153 6.641 1.00 0.55 N ATOM 896 CA ALA A 75 -6.591 8.358 6.682 1.00 0.58 C ATOM 897 C ALA A 75 -6.566 7.470 7.909 1.00 0.52 C ATOM 898 O ALA A 75 -7.319 7.679 8.859 1.00 0.70 O ATOM 899 CB ALA A 75 -5.357 9.248 6.648 1.00 0.70 C ATOM 0 H ALA A 75 -7.800 9.959 7.266 1.00 0.55 H new ATOM 0 HA ALA A 75 -6.580 7.722 5.797 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -4.461 8.629 6.680 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -5.359 9.837 5.731 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -5.367 9.916 7.509 1.00 0.70 H new ATOM 905 N GLY A 76 -5.674 6.494 7.893 1.00 0.49 N ATOM 906 CA GLY A 76 -5.661 5.486 8.927 1.00 0.58 C ATOM 907 C GLY A 76 -6.416 4.256 8.479 1.00 0.48 C ATOM 908 O GLY A 76 -6.407 3.214 9.135 1.00 0.72 O ATOM 0 H GLY A 76 -4.955 6.382 7.178 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -4.632 5.220 9.170 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -6.111 5.884 9.837 1.00 0.58 H new ATOM 912 N GLY A 77 -7.071 4.402 7.340 1.00 0.42 N ATOM 913 CA GLY A 77 -7.791 3.315 6.714 1.00 0.52 C ATOM 914 C GLY A 77 -8.102 3.669 5.280 1.00 0.44 C ATOM 915 O GLY A 77 -7.374 4.462 4.684 1.00 0.78 O ATOM 0 H GLY A 77 -7.116 5.281 6.825 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -7.196 2.402 6.752 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -8.714 3.117 7.258 1.00 0.52 H new ATOM 919 N ASP A 78 -9.178 3.132 4.722 1.00 0.55 N ATOM 920 CA ASP A 78 -9.488 3.406 3.321 1.00 0.72 C ATOM 921 C ASP A 78 -10.043 4.826 3.162 1.00 0.67 C ATOM 922 O ASP A 78 -10.737 5.325 4.049 1.00 1.04 O ATOM 923 CB ASP A 78 -10.451 2.367 2.737 1.00 1.14 C ATOM 924 CG ASP A 78 -10.367 2.308 1.225 1.00 1.82 C ATOM 925 OD1 ASP A 78 -10.740 3.301 0.573 1.00 2.59 O ATOM 926 OD2 ASP A 78 -9.911 1.271 0.692 1.00 2.28 O ATOM 0 H ASP A 78 -9.838 2.519 5.201 1.00 0.55 H new ATOM 0 HA ASP A 78 -8.559 3.334 2.755 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -10.222 1.386 3.152 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -11.471 2.609 3.035 1.00 1.14 H new ATOM 931 N ALA A 79 -9.751 5.467 2.040 1.00 0.54 N ATOM 932 CA ALA A 79 -10.180 6.838 1.813 1.00 0.58 C ATOM 933 C ALA A 79 -10.980 6.969 0.521 1.00 0.56 C ATOM 934 O ALA A 79 -11.343 8.081 0.122 1.00 0.67 O ATOM 935 CB ALA A 79 -8.975 7.769 1.791 1.00 0.73 C ATOM 0 H ALA A 79 -9.218 5.059 1.272 1.00 0.54 H new ATOM 0 HA ALA A 79 -10.835 7.124 2.636 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -9.309 8.792 1.620 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -8.454 7.712 2.747 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -8.299 7.470 0.990 1.00 0.73 H new ATOM 941 N THR A 80 -11.293 5.835 -0.113 1.00 0.54 N ATOM 942 CA THR A 80 -12.017 5.843 -1.386 1.00 0.60 C ATOM 943 C THR A 80 -13.433 6.403 -1.211 1.00 0.65 C ATOM 944 O THR A 80 -14.144 6.640 -2.194 1.00 0.84 O ATOM 945 CB THR A 80 -12.075 4.433 -2.038 1.00 0.66 C ATOM 946 OG1 THR A 80 -12.433 4.551 -3.421 1.00 0.84 O ATOM 947 CG2 THR A 80 -13.085 3.533 -1.337 1.00 0.70 C ATOM 0 H THR A 80 -11.058 4.905 0.233 1.00 0.54 H new ATOM 0 HA THR A 80 -11.460 6.496 -2.059 1.00 0.60 H new ATOM 0 HB THR A 80 -11.087 3.983 -1.942 1.00 0.66 H new ATOM 0 HG1 THR A 80 -12.467 3.660 -3.827 1.00 0.84 H new ATOM 0 HG21 THR A 80 -13.098 2.556 -1.820 1.00 0.70 H new ATOM 0 HG22 THR A 80 -12.804 3.417 -0.290 1.00 0.70 H new ATOM 0 HG23 THR A 80 -14.076 3.982 -1.399 1.00 0.70 H new ATOM 955 N GLU A 81 -13.819 6.620 0.046 1.00 0.65 N ATOM 956 CA GLU A 81 -15.064 7.299 0.388 1.00 0.79 C ATOM 957 C GLU A 81 -15.192 8.588 -0.420 1.00 0.85 C ATOM 958 O GLU A 81 -16.101 8.757 -1.230 1.00 0.98 O ATOM 959 CB GLU A 81 -15.059 7.627 1.884 1.00 0.91 C ATOM 960 CG GLU A 81 -16.351 8.237 2.392 1.00 1.54 C ATOM 961 CD GLU A 81 -17.402 7.194 2.694 1.00 1.82 C ATOM 962 OE1 GLU A 81 -18.050 6.715 1.744 1.00 2.27 O ATOM 963 OE2 GLU A 81 -17.586 6.850 3.878 1.00 2.27 O ATOM 0 H GLU A 81 -13.274 6.328 0.857 1.00 0.65 H new ATOM 0 HA GLU A 81 -15.909 6.651 0.155 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -14.857 6.714 2.444 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -14.240 8.315 2.091 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -16.147 8.815 3.294 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -16.738 8.933 1.648 1.00 1.54 H new ATOM 970 N ASN A 82 -14.225 9.478 -0.197 1.00 0.82 N ATOM 971 CA ASN A 82 -14.205 10.801 -0.817 1.00 0.90 C ATOM 972 C ASN A 82 -13.932 10.679 -2.310 1.00 0.94 C ATOM 973 O ASN A 82 -14.401 11.464 -3.126 1.00 1.09 O ATOM 974 CB ASN A 82 -13.119 11.654 -0.155 1.00 0.93 C ATOM 975 CG ASN A 82 -13.103 13.092 -0.641 1.00 1.70 C ATOM 976 OD1 ASN A 82 -12.037 13.689 -0.776 1.00 2.41 O ATOM 977 ND2 ASN A 82 -14.276 13.672 -0.870 1.00 2.40 N ATOM 0 H ASN A 82 -13.432 9.301 0.420 1.00 0.82 H new ATOM 0 HA ASN A 82 -15.176 11.277 -0.679 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -13.268 11.645 0.925 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -12.146 11.203 -0.347 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -14.313 14.646 -1.169 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -15.139 13.143 -0.747 1.00 2.40 H new ATOM 984 N PHE A 83 -13.135 9.650 -2.615 1.00 0.85 N ATOM 985 CA PHE A 83 -12.632 9.359 -3.957 1.00 0.89 C ATOM 986 C PHE A 83 -13.763 9.131 -4.945 1.00 1.02 C ATOM 987 O PHE A 83 -13.680 9.519 -6.109 1.00 1.17 O ATOM 988 CB PHE A 83 -11.747 8.109 -3.884 1.00 0.81 C ATOM 989 CG PHE A 83 -10.990 7.816 -5.144 1.00 0.86 C ATOM 990 CD1 PHE A 83 -11.554 7.055 -6.154 1.00 1.20 C ATOM 991 CD2 PHE A 83 -9.712 8.304 -5.314 1.00 0.97 C ATOM 992 CE1 PHE A 83 -10.853 6.792 -7.313 1.00 1.33 C ATOM 993 CE2 PHE A 83 -9.003 8.044 -6.470 1.00 1.06 C ATOM 994 CZ PHE A 83 -9.574 7.288 -7.472 1.00 1.13 C ATOM 0 H PHE A 83 -12.815 8.980 -1.915 1.00 0.85 H new ATOM 0 HA PHE A 83 -12.060 10.217 -4.309 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -11.036 8.228 -3.066 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -12.372 7.249 -3.641 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -12.553 6.663 -6.033 1.00 1.20 H new ATOM 0 HD2 PHE A 83 -9.260 8.897 -4.533 1.00 0.97 H new ATOM 0 HE1 PHE A 83 -11.304 6.199 -8.095 1.00 1.33 H new ATOM 0 HE2 PHE A 83 -8.002 8.432 -6.589 1.00 1.06 H new ATOM 0 HZ PHE A 83 -9.023 7.084 -8.378 1.00 1.13 H new ATOM 1004 N GLU A 84 -14.799 8.458 -4.473 1.00 1.00 N ATOM 1005 CA GLU A 84 -15.923 8.086 -5.311 1.00 1.14 C ATOM 1006 C GLU A 84 -16.944 9.208 -5.416 1.00 1.24 C ATOM 1007 O GLU A 84 -17.849 9.152 -6.248 1.00 1.46 O ATOM 1008 CB GLU A 84 -16.580 6.828 -4.754 1.00 1.20 C ATOM 1009 CG GLU A 84 -15.777 5.559 -5.008 1.00 1.33 C ATOM 1010 CD GLU A 84 -16.631 4.309 -4.990 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -17.333 4.034 -5.990 1.00 2.30 O ATOM 1012 OE2 GLU A 84 -16.605 3.591 -3.968 1.00 2.19 O ATOM 0 H GLU A 84 -14.883 8.156 -3.502 1.00 1.00 H new ATOM 0 HA GLU A 84 -15.547 7.892 -6.315 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -16.724 6.948 -3.680 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -17.569 6.717 -5.198 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -15.278 5.638 -5.974 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -14.997 5.471 -4.252 1.00 1.33 H new ATOM 1019 N ASP A 85 -16.797 10.227 -4.571 1.00 1.18 N ATOM 1020 CA ASP A 85 -17.714 11.366 -4.565 1.00 1.34 C ATOM 1021 C ASP A 85 -17.207 12.421 -5.549 1.00 1.45 C ATOM 1022 O ASP A 85 -17.248 13.623 -5.282 1.00 1.90 O ATOM 1023 CB ASP A 85 -17.813 11.949 -3.150 1.00 1.35 C ATOM 1024 CG ASP A 85 -19.022 12.855 -2.935 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -19.674 13.263 -3.924 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -19.327 13.157 -1.759 1.00 1.81 O ATOM 0 H ASP A 85 -16.049 10.287 -3.880 1.00 1.18 H new ATOM 0 HA ASP A 85 -18.709 11.042 -4.871 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -17.854 11.129 -2.433 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -16.906 12.514 -2.937 1.00 1.35 H new ATOM 1031 N VAL A 86 -16.712 11.935 -6.690 1.00 1.34 N ATOM 1032 CA VAL A 86 -16.137 12.775 -7.738 1.00 1.50 C ATOM 1033 C VAL A 86 -15.049 13.684 -7.159 1.00 1.26 C ATOM 1034 O VAL A 86 -15.133 14.910 -7.231 1.00 1.87 O ATOM 1035 CB VAL A 86 -17.221 13.620 -8.459 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -16.653 14.293 -9.707 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -18.419 12.749 -8.824 1.00 2.64 C ATOM 0 H VAL A 86 -16.700 10.940 -6.912 1.00 1.34 H new ATOM 0 HA VAL A 86 -15.689 12.113 -8.479 1.00 1.50 H new ATOM 0 HB VAL A 86 -17.551 14.401 -7.774 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -17.434 14.878 -10.192 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -15.830 14.950 -9.424 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -16.289 13.532 -10.397 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -19.170 13.356 -9.329 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -18.097 11.946 -9.487 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -18.848 12.321 -7.918 1.00 2.64 H new ATOM 1047 N GLY A 87 -14.026 13.068 -6.576 1.00 1.38 N ATOM 1048 CA GLY A 87 -12.995 13.840 -5.926 1.00 1.82 C ATOM 1049 C GLY A 87 -11.592 13.470 -6.367 1.00 1.46 C ATOM 1050 O GLY A 87 -10.816 12.979 -5.560 1.00 2.23 O ATOM 0 H GLY A 87 -13.897 12.057 -6.544 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -13.163 14.898 -6.127 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -13.076 13.704 -4.848 1.00 1.82 H new ATOM 1054 N HIS A 88 -11.293 13.693 -7.653 1.00 1.05 N ATOM 1055 CA HIS A 88 -9.942 13.552 -8.228 1.00 0.81 C ATOM 1056 C HIS A 88 -10.012 13.800 -9.728 1.00 0.89 C ATOM 1057 O HIS A 88 -11.078 14.144 -10.238 1.00 1.32 O ATOM 1058 CB HIS A 88 -9.277 12.190 -7.951 1.00 0.89 C ATOM 1059 CG HIS A 88 -8.413 12.182 -6.725 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -8.302 11.100 -5.865 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -7.626 13.160 -6.202 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -7.474 11.447 -4.864 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -7.066 12.673 -5.043 1.00 0.48 N ATOM 0 H HIS A 88 -11.992 13.981 -8.337 1.00 1.05 H new ATOM 0 HA HIS A 88 -9.313 14.293 -7.735 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -10.052 11.432 -7.844 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -8.673 11.908 -8.813 1.00 0.89 H new ATOM 0 HD1 HIS A 88 -8.767 10.199 -5.973 1.00 0.88 H new ATOM 0 HD2 HIS A 88 -7.469 14.143 -6.621 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -7.191 10.809 -4.040 1.00 0.98 H new ATOM 1071 N SER A 89 -8.899 13.618 -10.440 1.00 0.81 N ATOM 1072 CA SER A 89 -8.901 13.840 -11.880 1.00 1.00 C ATOM 1073 C SER A 89 -7.819 13.032 -12.622 1.00 1.00 C ATOM 1074 O SER A 89 -6.925 13.615 -13.225 1.00 1.43 O ATOM 1075 CB SER A 89 -8.740 15.339 -12.153 1.00 1.22 C ATOM 1076 OG SER A 89 -7.702 15.899 -11.367 1.00 1.06 O ATOM 0 H SER A 89 -8.004 13.324 -10.050 1.00 0.81 H new ATOM 0 HA SER A 89 -9.855 13.484 -12.268 1.00 1.00 H new ATOM 0 HB2 SER A 89 -8.524 15.497 -13.210 1.00 1.22 H new ATOM 0 HB3 SER A 89 -9.678 15.852 -11.939 1.00 1.22 H new ATOM 0 HG SER A 89 -6.867 15.414 -11.534 1.00 1.06 H new ATOM 1082 N THR A 90 -7.881 11.699 -12.552 1.00 1.14 N ATOM 1083 CA THR A 90 -7.041 10.829 -13.394 1.00 1.15 C ATOM 1084 C THR A 90 -5.568 10.780 -12.957 1.00 1.15 C ATOM 1085 O THR A 90 -5.002 9.697 -12.864 1.00 1.72 O ATOM 1086 CB THR A 90 -7.146 11.236 -14.883 1.00 1.27 C ATOM 1087 OG1 THR A 90 -8.526 11.240 -15.275 1.00 1.45 O ATOM 1088 CG2 THR A 90 -6.380 10.275 -15.775 1.00 1.49 C ATOM 0 H THR A 90 -8.504 11.194 -11.921 1.00 1.14 H new ATOM 0 HA THR A 90 -7.434 9.821 -13.263 1.00 1.15 H new ATOM 0 HB THR A 90 -6.712 12.230 -14.996 1.00 1.27 H new ATOM 0 HG1 THR A 90 -8.598 11.499 -16.217 1.00 1.45 H new ATOM 0 HG21 THR A 90 -6.474 10.590 -16.814 1.00 1.49 H new ATOM 0 HG22 THR A 90 -5.328 10.274 -15.490 1.00 1.49 H new ATOM 0 HG23 THR A 90 -6.787 9.270 -15.662 1.00 1.49 H new ATOM 1096 N ASP A 91 -4.949 11.926 -12.688 1.00 0.95 N ATOM 1097 CA ASP A 91 -3.535 11.960 -12.282 1.00 0.97 C ATOM 1098 C ASP A 91 -3.263 10.990 -11.136 1.00 0.89 C ATOM 1099 O ASP A 91 -2.236 10.310 -11.103 1.00 0.88 O ATOM 1100 CB ASP A 91 -3.104 13.373 -11.879 1.00 1.12 C ATOM 1101 CG ASP A 91 -2.853 14.278 -13.074 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -1.716 14.276 -13.599 1.00 1.90 O ATOM 1103 OD2 ASP A 91 -3.785 14.993 -13.489 1.00 2.46 O ATOM 0 H ASP A 91 -5.395 12.842 -12.741 1.00 0.95 H new ATOM 0 HA ASP A 91 -2.948 11.651 -13.147 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -3.875 13.817 -11.249 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -2.197 13.313 -11.278 1.00 1.12 H new ATOM 1108 N ALA A 92 -4.218 10.913 -10.211 1.00 0.90 N ATOM 1109 CA ALA A 92 -4.098 10.076 -9.021 1.00 0.90 C ATOM 1110 C ALA A 92 -4.218 8.582 -9.355 1.00 0.82 C ATOM 1111 O ALA A 92 -4.234 7.736 -8.461 1.00 1.07 O ATOM 1112 CB ALA A 92 -5.156 10.493 -8.007 1.00 0.97 C ATOM 0 H ALA A 92 -5.096 11.429 -10.266 1.00 0.90 H new ATOM 0 HA ALA A 92 -3.106 10.222 -8.595 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -5.071 9.871 -7.116 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -5.008 11.538 -7.735 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -6.147 10.369 -8.443 1.00 0.97 H new ATOM 1118 N ARG A 93 -4.315 8.273 -10.645 1.00 0.75 N ATOM 1119 CA ARG A 93 -4.293 6.894 -11.132 1.00 0.73 C ATOM 1120 C ARG A 93 -2.855 6.428 -11.326 1.00 0.69 C ATOM 1121 O ARG A 93 -2.515 5.277 -11.052 1.00 0.81 O ATOM 1122 CB ARG A 93 -5.038 6.781 -12.470 1.00 0.82 C ATOM 1123 CG ARG A 93 -6.550 6.766 -12.344 1.00 1.64 C ATOM 1124 CD ARG A 93 -7.209 6.763 -13.719 1.00 1.70 C ATOM 1125 NE ARG A 93 -8.662 6.631 -13.651 1.00 2.71 N ATOM 1126 CZ ARG A 93 -9.480 6.794 -14.696 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -8.997 7.129 -15.887 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -10.788 6.638 -14.539 1.00 4.15 N ATOM 0 H ARG A 93 -4.411 8.970 -11.383 1.00 0.75 H new ATOM 0 HA ARG A 93 -4.787 6.266 -10.390 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -4.747 7.617 -13.106 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -4.718 5.869 -12.975 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -6.864 5.885 -11.784 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -6.881 7.638 -11.779 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -6.957 7.687 -14.240 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -6.802 5.943 -14.310 1.00 1.70 H new ATOM 0 HE ARG A 93 -9.079 6.400 -12.749 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -7.994 7.264 -16.011 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -9.629 7.251 -16.678 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -11.166 6.395 -13.624 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -11.415 6.761 -15.334 1.00 4.15 H new ATOM 1142 N GLU A 94 -2.014 7.350 -11.791 1.00 0.60 N ATOM 1143 CA GLU A 94 -0.663 7.015 -12.226 1.00 0.60 C ATOM 1144 C GLU A 94 0.369 7.574 -11.259 1.00 0.58 C ATOM 1145 O GLU A 94 1.294 6.891 -10.844 1.00 0.74 O ATOM 1146 CB GLU A 94 -0.399 7.562 -13.638 1.00 0.68 C ATOM 1147 CG GLU A 94 -1.424 7.125 -14.682 1.00 1.19 C ATOM 1148 CD GLU A 94 -1.607 5.621 -14.751 1.00 1.38 C ATOM 1149 OE1 GLU A 94 -0.595 4.908 -14.921 1.00 1.62 O ATOM 1150 OE2 GLU A 94 -2.754 5.140 -14.637 1.00 2.11 O ATOM 0 H GLU A 94 -2.248 8.339 -11.876 1.00 0.60 H new ATOM 0 HA GLU A 94 -0.576 5.929 -12.244 1.00 0.60 H new ATOM 0 HB2 GLU A 94 -0.382 8.651 -13.596 1.00 0.68 H new ATOM 0 HB3 GLU A 94 0.591 7.240 -13.961 1.00 0.68 H new ATOM 0 HG2 GLU A 94 -2.383 7.591 -14.456 1.00 1.19 H new ATOM 0 HG3 GLU A 94 -1.114 7.492 -15.661 1.00 1.19 H new ATOM 1157 N MET A 95 0.188 8.847 -10.919 1.00 0.48 N ATOM 1158 CA MET A 95 1.131 9.594 -10.086 1.00 0.49 C ATOM 1159 C MET A 95 1.182 9.055 -8.666 1.00 0.42 C ATOM 1160 O MET A 95 2.117 9.306 -7.912 1.00 0.50 O ATOM 1161 CB MET A 95 0.723 11.067 -10.059 1.00 0.53 C ATOM 1162 CG MET A 95 1.583 11.917 -9.141 1.00 0.65 C ATOM 1163 SD MET A 95 1.157 13.663 -9.202 1.00 1.09 S ATOM 1164 CE MET A 95 2.239 14.313 -7.932 1.00 1.75 C ATOM 0 H MET A 95 -0.621 9.394 -11.214 1.00 0.48 H new ATOM 0 HA MET A 95 2.125 9.483 -10.519 1.00 0.49 H new ATOM 0 HB2 MET A 95 0.778 11.469 -11.071 1.00 0.53 H new ATOM 0 HB3 MET A 95 -0.317 11.142 -9.742 1.00 0.53 H new ATOM 0 HG2 MET A 95 1.478 11.558 -8.117 1.00 0.65 H new ATOM 0 HG3 MET A 95 2.631 11.794 -9.416 1.00 0.65 H new ATOM 0 HE1 MET A 95 2.094 15.390 -7.847 1.00 1.75 H new ATOM 0 HE2 MET A 95 2.007 13.839 -6.978 1.00 1.75 H new ATOM 0 HE3 MET A 95 3.276 14.106 -8.197 1.00 1.75 H new ATOM 1174 N SER A 96 0.135 8.330 -8.309 1.00 0.34 N ATOM 1175 CA SER A 96 -0.050 7.867 -6.951 1.00 0.31 C ATOM 1176 C SER A 96 0.888 6.709 -6.642 1.00 0.31 C ATOM 1177 O SER A 96 1.163 6.387 -5.489 1.00 0.33 O ATOM 1178 CB SER A 96 -1.508 7.468 -6.750 1.00 0.36 C ATOM 1179 OG SER A 96 -1.914 6.520 -7.724 1.00 1.13 O ATOM 0 H SER A 96 -0.605 8.049 -8.952 1.00 0.34 H new ATOM 0 HA SER A 96 0.193 8.673 -6.258 1.00 0.31 H new ATOM 0 HB2 SER A 96 -1.640 7.049 -5.752 1.00 0.36 H new ATOM 0 HB3 SER A 96 -2.143 8.352 -6.811 1.00 0.36 H new ATOM 0 HG SER A 96 -2.829 6.719 -8.012 1.00 1.13 H new ATOM 1185 N LYS A 97 1.341 6.077 -7.742 1.00 0.36 N ATOM 1186 CA LYS A 97 2.112 4.828 -7.721 1.00 0.43 C ATOM 1187 C LYS A 97 3.357 4.929 -6.863 1.00 0.41 C ATOM 1188 O LYS A 97 3.823 3.934 -6.315 1.00 0.48 O ATOM 1189 CB LYS A 97 2.528 4.453 -9.142 1.00 0.56 C ATOM 1190 CG LYS A 97 1.381 3.991 -10.026 1.00 0.83 C ATOM 1191 CD LYS A 97 1.873 3.732 -11.442 1.00 1.15 C ATOM 1192 CE LYS A 97 0.740 3.387 -12.395 1.00 1.56 C ATOM 1193 NZ LYS A 97 0.053 2.125 -12.020 1.00 2.15 N ATOM 0 H LYS A 97 1.176 6.430 -8.685 1.00 0.36 H new ATOM 0 HA LYS A 97 1.465 4.064 -7.291 1.00 0.43 H new ATOM 0 HB2 LYS A 97 3.006 5.315 -9.608 1.00 0.56 H new ATOM 0 HB3 LYS A 97 3.276 3.661 -9.093 1.00 0.56 H new ATOM 0 HG2 LYS A 97 0.940 3.082 -9.616 1.00 0.83 H new ATOM 0 HG3 LYS A 97 0.597 4.748 -10.040 1.00 0.83 H new ATOM 0 HD2 LYS A 97 2.397 4.615 -11.809 1.00 1.15 H new ATOM 0 HD3 LYS A 97 2.595 2.915 -11.429 1.00 1.15 H new ATOM 0 HE2 LYS A 97 0.017 4.202 -12.406 1.00 1.56 H new ATOM 0 HE3 LYS A 97 1.134 3.297 -13.407 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 -0.123 1.558 -12.874 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 0.652 1.585 -11.364 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 -0.853 2.346 -11.559 1.00 2.15 H new ATOM 1207 N THR A 98 3.897 6.146 -6.786 1.00 0.40 N ATOM 1208 CA THR A 98 5.144 6.417 -6.086 1.00 0.46 C ATOM 1209 C THR A 98 4.908 6.530 -4.581 1.00 0.41 C ATOM 1210 O THR A 98 5.830 6.772 -3.805 1.00 0.48 O ATOM 1211 CB THR A 98 5.764 7.729 -6.604 1.00 0.59 C ATOM 1212 OG1 THR A 98 5.583 7.828 -8.027 1.00 1.01 O ATOM 1213 CG2 THR A 98 7.248 7.797 -6.283 1.00 1.15 C ATOM 0 H THR A 98 3.476 6.972 -7.211 1.00 0.40 H new ATOM 0 HA THR A 98 5.827 5.588 -6.274 1.00 0.46 H new ATOM 0 HB THR A 98 5.260 8.558 -6.107 1.00 0.59 H new ATOM 0 HG1 THR A 98 5.978 8.665 -8.350 1.00 1.01 H new ATOM 0 HG21 THR A 98 7.659 8.733 -6.660 1.00 1.15 H new ATOM 0 HG22 THR A 98 7.389 7.747 -5.203 1.00 1.15 H new ATOM 0 HG23 THR A 98 7.761 6.959 -6.755 1.00 1.15 H new ATOM 1221 N PHE A 99 3.658 6.364 -4.183 1.00 0.32 N ATOM 1222 CA PHE A 99 3.293 6.407 -2.778 1.00 0.32 C ATOM 1223 C PHE A 99 2.789 5.044 -2.324 1.00 0.30 C ATOM 1224 O PHE A 99 2.567 4.817 -1.136 1.00 0.31 O ATOM 1225 CB PHE A 99 2.228 7.482 -2.541 1.00 0.34 C ATOM 1226 CG PHE A 99 2.706 8.869 -2.876 1.00 0.36 C ATOM 1227 CD1 PHE A 99 3.568 9.550 -2.024 1.00 0.88 C ATOM 1228 CD2 PHE A 99 2.281 9.499 -4.037 1.00 0.77 C ATOM 1229 CE1 PHE A 99 3.994 10.833 -2.325 1.00 0.90 C ATOM 1230 CE2 PHE A 99 2.704 10.779 -4.341 1.00 0.81 C ATOM 1231 CZ PHE A 99 3.618 11.423 -3.504 1.00 0.47 C ATOM 0 H PHE A 99 2.876 6.198 -4.816 1.00 0.32 H new ATOM 0 HA PHE A 99 4.176 6.661 -2.192 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.348 7.252 -3.142 1.00 0.34 H new ATOM 0 HB3 PHE A 99 1.917 7.453 -1.497 1.00 0.34 H new ATOM 0 HD1 PHE A 99 3.909 9.073 -1.117 1.00 0.88 H new ATOM 0 HD2 PHE A 99 1.612 8.983 -4.710 1.00 0.77 H new ATOM 0 HE1 PHE A 99 4.623 11.369 -1.630 1.00 0.90 H new ATOM 0 HE2 PHE A 99 2.329 11.279 -5.222 1.00 0.81 H new ATOM 0 HZ PHE A 99 4.027 12.382 -3.785 1.00 0.47 H new ATOM 1241 N ILE A 100 2.600 4.139 -3.288 1.00 0.32 N ATOM 1242 CA ILE A 100 2.117 2.792 -2.991 1.00 0.32 C ATOM 1243 C ILE A 100 3.221 1.984 -2.321 1.00 0.34 C ATOM 1244 O ILE A 100 4.121 1.490 -3.000 1.00 0.43 O ATOM 1245 CB ILE A 100 1.672 2.032 -4.265 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.653 2.847 -5.049 1.00 0.32 C ATOM 1247 CG2 ILE A 100 1.079 0.674 -3.898 1.00 0.42 C ATOM 1248 CD1 ILE A 100 0.219 2.190 -6.341 1.00 0.38 C ATOM 0 H ILE A 100 2.774 4.316 -4.277 1.00 0.32 H new ATOM 0 HA ILE A 100 1.255 2.904 -2.333 1.00 0.32 H new ATOM 0 HB ILE A 100 2.551 1.876 -4.890 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.224 3.015 -4.424 1.00 0.32 H new ATOM 0 HG13 ILE A 100 1.077 3.826 -5.273 1.00 0.32 H new ATOM 0 HG21 ILE A 100 0.772 0.154 -4.805 1.00 0.42 H new ATOM 0 HG22 ILE A 100 1.828 0.079 -3.375 1.00 0.42 H new ATOM 0 HG23 ILE A 100 0.213 0.818 -3.251 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -0.507 2.826 -6.847 1.00 0.38 H new ATOM 0 HD12 ILE A 100 1.086 2.046 -6.985 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.235 1.223 -6.123 1.00 0.38 H new ATOM 1260 N ILE A 101 3.166 1.860 -1.002 1.00 0.32 N ATOM 1261 CA ILE A 101 4.231 1.182 -0.275 1.00 0.35 C ATOM 1262 C ILE A 101 3.999 -0.329 -0.225 1.00 0.36 C ATOM 1263 O ILE A 101 4.942 -1.097 -0.034 1.00 0.43 O ATOM 1264 CB ILE A 101 4.420 1.751 1.151 1.00 0.36 C ATOM 1265 CG1 ILE A 101 3.110 1.697 1.932 1.00 0.33 C ATOM 1266 CG2 ILE A 101 4.948 3.184 1.093 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.235 2.221 3.341 1.00 0.38 C ATOM 0 H ILE A 101 2.407 2.214 -0.420 1.00 0.32 H new ATOM 0 HA ILE A 101 5.152 1.369 -0.827 1.00 0.35 H new ATOM 0 HB ILE A 101 5.154 1.133 1.669 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.354 2.277 1.402 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.756 0.666 1.965 1.00 0.33 H new ATOM 0 HG21 ILE A 101 5.074 3.567 2.106 1.00 0.46 H new ATOM 0 HG22 ILE A 101 5.908 3.197 0.578 1.00 0.46 H new ATOM 0 HG23 ILE A 101 4.238 3.812 0.554 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.269 2.155 3.841 1.00 0.38 H new ATOM 0 HD12 ILE A 101 3.968 1.626 3.887 1.00 0.38 H new ATOM 0 HD13 ILE A 101 3.559 3.261 3.315 1.00 0.38 H new ATOM 1279 N GLY A 102 2.752 -0.756 -0.407 1.00 0.33 N ATOM 1280 CA GLY A 102 2.476 -2.175 -0.532 1.00 0.39 C ATOM 1281 C GLY A 102 1.016 -2.504 -0.292 1.00 0.35 C ATOM 1282 O GLY A 102 0.156 -1.619 -0.342 1.00 0.35 O ATOM 0 H GLY A 102 1.934 -0.149 -0.470 1.00 0.33 H new ATOM 0 HA2 GLY A 102 2.762 -2.511 -1.529 1.00 0.39 H new ATOM 0 HA3 GLY A 102 3.091 -2.726 0.179 1.00 0.39 H new ATOM 1286 N GLU A 103 0.728 -3.772 -0.020 1.00 0.40 N ATOM 1287 CA GLU A 103 -0.634 -4.212 0.242 1.00 0.42 C ATOM 1288 C GLU A 103 -0.827 -4.495 1.727 1.00 0.37 C ATOM 1289 O GLU A 103 -0.005 -4.097 2.551 1.00 0.39 O ATOM 1290 CB GLU A 103 -0.980 -5.471 -0.556 1.00 0.52 C ATOM 1291 CG GLU A 103 -1.470 -5.213 -1.970 1.00 0.74 C ATOM 1292 CD GLU A 103 -0.358 -4.887 -2.942 1.00 1.22 C ATOM 1293 OE1 GLU A 103 0.592 -5.689 -3.051 1.00 1.85 O ATOM 1294 OE2 GLU A 103 -0.402 -3.798 -3.552 1.00 1.87 O ATOM 0 H GLU A 103 1.425 -4.515 0.024 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.299 -3.407 -0.069 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -0.097 -6.109 -0.603 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -1.747 -6.027 -0.016 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -2.008 -6.092 -2.326 1.00 0.74 H new ATOM 0 HG3 GLU A 103 -2.182 -4.388 -1.955 1.00 0.74 H new ATOM 1301 N LEU A 104 -1.901 -5.187 2.077 1.00 0.40 N ATOM 1302 CA LEU A 104 -2.145 -5.522 3.469 1.00 0.42 C ATOM 1303 C LEU A 104 -1.852 -7.003 3.717 1.00 0.42 C ATOM 1304 O LEU A 104 -1.912 -7.805 2.786 1.00 0.48 O ATOM 1305 CB LEU A 104 -3.581 -5.179 3.888 1.00 0.51 C ATOM 1306 CG LEU A 104 -3.899 -3.696 4.167 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -3.432 -2.778 3.046 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -5.393 -3.529 4.376 1.00 1.33 C ATOM 0 H LEU A 104 -2.609 -5.523 1.424 1.00 0.40 H new ATOM 0 HA LEU A 104 -1.472 -4.921 4.081 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -4.254 -5.527 3.104 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -3.816 -5.750 4.786 1.00 0.51 H new ATOM 0 HG LEU A 104 -3.355 -3.409 5.067 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -3.681 -1.746 3.293 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -2.353 -2.872 2.924 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -3.928 -3.058 2.116 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -5.618 -2.481 4.573 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -5.924 -3.852 3.480 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -5.712 -4.134 5.225 1.00 1.33 H new ATOM 1320 N HIS A 105 -1.527 -7.358 4.963 1.00 0.48 N ATOM 1321 CA HIS A 105 -1.143 -8.727 5.334 1.00 0.53 C ATOM 1322 C HIS A 105 -2.274 -9.728 5.072 1.00 0.60 C ATOM 1323 O HIS A 105 -3.269 -9.376 4.439 1.00 0.64 O ATOM 1324 CB HIS A 105 -0.754 -8.753 6.816 1.00 0.68 C ATOM 1325 CG HIS A 105 0.725 -8.668 7.078 1.00 1.13 C ATOM 1326 ND1 HIS A 105 1.539 -9.778 7.186 1.00 1.82 N ATOM 1327 CD2 HIS A 105 1.538 -7.598 7.255 1.00 1.68 C ATOM 1328 CE1 HIS A 105 2.778 -9.393 7.416 1.00 2.41 C ATOM 1329 NE2 HIS A 105 2.805 -8.080 7.462 1.00 2.37 N ATOM 0 H HIS A 105 -1.522 -6.704 5.746 1.00 0.48 H new ATOM 0 HA HIS A 105 -0.296 -9.024 4.716 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -1.247 -7.923 7.322 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -1.136 -9.671 7.262 1.00 0.68 H new ATOM 0 HD2 HIS A 105 1.243 -6.559 7.236 1.00 1.68 H new ATOM 0 HE1 HIS A 105 3.628 -10.046 7.545 1.00 2.41 H new ATOM 0 HE2 HIS A 105 3.635 -7.511 7.625 1.00 2.37 H new ATOM 1338 N PRO A 106 -2.105 -11.018 5.476 1.00 0.74 N ATOM 1339 CA PRO A 106 -3.217 -11.995 5.579 1.00 1.00 C ATOM 1340 C PRO A 106 -4.401 -11.506 6.425 1.00 1.18 C ATOM 1341 O PRO A 106 -4.874 -12.188 7.334 1.00 1.67 O ATOM 1342 CB PRO A 106 -2.557 -13.186 6.265 1.00 1.17 C ATOM 1343 CG PRO A 106 -1.137 -13.123 5.850 1.00 1.02 C ATOM 1344 CD PRO A 106 -0.803 -11.667 5.760 1.00 0.79 C ATOM 0 HA PRO A 106 -3.649 -12.201 4.600 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -2.655 -13.123 7.349 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -3.018 -14.125 5.957 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -0.496 -13.627 6.573 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -0.988 -13.619 4.891 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -0.368 -11.299 6.689 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -0.079 -11.472 4.969 1.00 0.79 H new ATOM 1352 N ASP A 107 -4.864 -10.335 6.065 1.00 1.16 N ATOM 1353 CA ASP A 107 -5.958 -9.638 6.704 1.00 1.47 C ATOM 1354 C ASP A 107 -6.876 -9.257 5.575 1.00 1.22 C ATOM 1355 O ASP A 107 -8.086 -9.469 5.593 1.00 1.47 O ATOM 1356 CB ASP A 107 -5.469 -8.347 7.374 1.00 1.90 C ATOM 1357 CG ASP A 107 -4.274 -8.516 8.295 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -4.315 -9.393 9.178 1.00 3.27 O ATOM 1359 OD2 ASP A 107 -3.301 -7.742 8.150 1.00 3.31 O ATOM 0 H ASP A 107 -4.471 -9.815 5.281 1.00 1.16 H new ATOM 0 HA ASP A 107 -6.428 -10.257 7.468 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -5.211 -7.627 6.597 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -6.292 -7.918 7.946 1.00 1.90 H new ATOM 1364 N ASP A 108 -6.221 -8.685 4.576 1.00 0.95 N ATOM 1365 CA ASP A 108 -6.818 -8.369 3.312 1.00 1.11 C ATOM 1366 C ASP A 108 -6.137 -9.217 2.250 1.00 1.14 C ATOM 1367 O ASP A 108 -6.750 -10.096 1.658 1.00 1.53 O ATOM 1368 CB ASP A 108 -6.638 -6.891 3.007 1.00 1.39 C ATOM 1369 CG ASP A 108 -7.287 -6.479 1.706 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -8.530 -6.543 1.611 1.00 3.12 O ATOM 1371 OD2 ASP A 108 -6.550 -6.083 0.775 1.00 3.44 O ATOM 0 H ASP A 108 -5.236 -8.426 4.635 1.00 0.95 H new ATOM 0 HA ASP A 108 -7.887 -8.580 3.331 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -7.061 -6.302 3.821 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -5.574 -6.660 2.966 1.00 1.39 H new ATOM 1376 N ARG A 109 -4.842 -8.958 2.020 1.00 0.99 N ATOM 1377 CA ARG A 109 -4.031 -9.816 1.170 1.00 1.18 C ATOM 1378 C ARG A 109 -4.642 -9.764 -0.248 1.00 1.48 C ATOM 1379 O ARG A 109 -5.365 -8.820 -0.544 1.00 1.98 O ATOM 1380 CB ARG A 109 -4.000 -11.234 1.793 1.00 1.11 C ATOM 1381 CG ARG A 109 -2.610 -11.849 1.847 1.00 1.45 C ATOM 1382 CD ARG A 109 -2.649 -13.340 2.151 1.00 1.73 C ATOM 1383 NE ARG A 109 -1.316 -13.936 2.047 1.00 2.25 N ATOM 1384 CZ ARG A 109 -1.022 -15.193 2.385 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -1.977 -16.007 2.825 1.00 2.73 N ATOM 1386 NH2 ARG A 109 0.225 -15.626 2.267 1.00 3.35 N ATOM 0 H ARG A 109 -4.342 -8.161 2.414 1.00 0.99 H new ATOM 0 HA ARG A 109 -2.993 -9.491 1.094 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -4.406 -11.186 2.804 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -4.655 -11.888 1.217 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -2.107 -11.688 0.894 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -2.020 -11.340 2.609 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -3.044 -13.499 3.154 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -3.328 -13.838 1.458 1.00 1.73 H new ATOM 0 HE ARG A 109 -0.560 -13.350 1.692 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -2.937 -15.671 2.905 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -1.750 -16.967 3.083 1.00 2.73 H new ATOM 0 HH21 ARG A 109 0.952 -15.000 1.920 1.00 3.35 H new ATOM 0 HH22 ARG A 109 0.458 -16.585 2.523 1.00 3.35 H new ATOM 1400 N PRO A 110 -4.379 -10.700 -1.179 1.00 1.77 N ATOM 1401 CA PRO A 110 -5.132 -10.725 -2.422 1.00 2.09 C ATOM 1402 C PRO A 110 -6.453 -11.475 -2.273 1.00 2.31 C ATOM 1403 O PRO A 110 -6.838 -12.232 -3.163 1.00 2.89 O ATOM 1404 CB PRO A 110 -4.218 -11.456 -3.406 1.00 2.66 C ATOM 1405 CG PRO A 110 -3.054 -11.975 -2.620 1.00 2.94 C ATOM 1406 CD PRO A 110 -3.343 -11.740 -1.161 1.00 2.39 C ATOM 0 HA PRO A 110 -5.396 -9.719 -2.749 1.00 2.09 H new ATOM 0 HB2 PRO A 110 -4.750 -12.274 -3.892 1.00 2.66 H new ATOM 0 HB3 PRO A 110 -3.882 -10.782 -4.194 1.00 2.66 H new ATOM 0 HG2 PRO A 110 -2.905 -13.037 -2.814 1.00 2.94 H new ATOM 0 HG3 PRO A 110 -2.136 -11.466 -2.915 1.00 2.94 H new ATOM 0 HD2 PRO A 110 -3.694 -12.648 -0.670 1.00 2.39 H new ATOM 0 HD3 PRO A 110 -2.454 -11.411 -0.624 1.00 2.39 H new ATOM 1414 N LYS A 111 -7.129 -11.251 -1.127 1.00 2.13 N ATOM 1415 CA LYS A 111 -8.391 -11.918 -0.772 1.00 2.67 C ATOM 1416 C LYS A 111 -9.317 -12.107 -1.970 1.00 3.16 C ATOM 1417 O LYS A 111 -9.636 -13.233 -2.350 1.00 3.69 O ATOM 1418 CB LYS A 111 -9.140 -11.115 0.300 1.00 2.87 C ATOM 1419 CG LYS A 111 -9.498 -11.919 1.544 1.00 2.82 C ATOM 1420 CD LYS A 111 -8.272 -12.563 2.165 1.00 3.47 C ATOM 1421 CE LYS A 111 -8.542 -13.037 3.584 1.00 3.97 C ATOM 1422 NZ LYS A 111 -9.614 -14.061 3.639 1.00 4.54 N ATOM 0 H LYS A 111 -6.807 -10.594 -0.417 1.00 2.13 H new ATOM 0 HA LYS A 111 -8.117 -12.903 -0.393 1.00 2.67 H new ATOM 0 HB2 LYS A 111 -8.527 -10.263 0.595 1.00 2.87 H new ATOM 0 HB3 LYS A 111 -10.055 -10.713 -0.136 1.00 2.87 H new ATOM 0 HG2 LYS A 111 -9.976 -11.266 2.274 1.00 2.82 H new ATOM 0 HG3 LYS A 111 -10.222 -12.691 1.283 1.00 2.82 H new ATOM 0 HD2 LYS A 111 -7.956 -13.408 1.553 1.00 3.47 H new ATOM 0 HD3 LYS A 111 -7.449 -11.848 2.171 1.00 3.47 H new ATOM 0 HE2 LYS A 111 -7.626 -13.449 4.008 1.00 3.97 H new ATOM 0 HE3 LYS A 111 -8.824 -12.185 4.202 1.00 3.97 H new ATOM 0 HZ1 LYS A 111 -9.683 -14.440 4.605 1.00 4.54 H new ATOM 0 HZ2 LYS A 111 -10.521 -13.629 3.372 1.00 4.54 H new ATOM 0 HZ3 LYS A 111 -9.391 -14.833 2.979 1.00 4.54 H new ATOM 1436 N LEU A 112 -9.765 -10.991 -2.528 1.00 3.28 N ATOM 1437 CA LEU A 112 -10.755 -11.006 -3.605 1.00 3.87 C ATOM 1438 C LEU A 112 -10.084 -10.955 -4.971 1.00 4.03 C ATOM 1439 O LEU A 112 -10.451 -11.689 -5.887 1.00 4.40 O ATOM 1440 CB LEU A 112 -11.693 -9.805 -3.442 1.00 4.14 C ATOM 1441 CG LEU A 112 -12.902 -9.764 -4.382 1.00 4.72 C ATOM 1442 CD1 LEU A 112 -13.775 -10.995 -4.190 1.00 5.33 C ATOM 1443 CD2 LEU A 112 -13.717 -8.494 -4.154 1.00 5.13 C ATOM 0 H LEU A 112 -9.459 -10.058 -2.254 1.00 3.28 H new ATOM 0 HA LEU A 112 -11.322 -11.935 -3.544 1.00 3.87 H new ATOM 0 HB2 LEU A 112 -12.056 -9.790 -2.414 1.00 4.14 H new ATOM 0 HB3 LEU A 112 -11.113 -8.894 -3.588 1.00 4.14 H new ATOM 0 HG LEU A 112 -12.534 -9.760 -5.408 1.00 4.72 H new ATOM 0 HD11 LEU A 112 -14.628 -10.946 -4.867 1.00 5.33 H new ATOM 0 HD12 LEU A 112 -13.193 -11.891 -4.405 1.00 5.33 H new ATOM 0 HD13 LEU A 112 -14.131 -11.032 -3.160 1.00 5.33 H new ATOM 0 HD21 LEU A 112 -14.571 -8.483 -4.831 1.00 5.13 H new ATOM 0 HD22 LEU A 112 -14.071 -8.469 -3.123 1.00 5.13 H new ATOM 0 HD23 LEU A 112 -13.092 -7.622 -4.345 1.00 5.13 H new ATOM 1455 N ASN A 113 -9.133 -10.049 -5.112 1.00 4.17 N ATOM 1456 CA ASN A 113 -8.354 -9.940 -6.337 1.00 4.65 C ATOM 1457 C ASN A 113 -7.021 -9.275 -6.047 1.00 4.52 C ATOM 1458 O ASN A 113 -6.807 -8.734 -4.963 1.00 4.85 O ATOM 1459 CB ASN A 113 -9.097 -9.166 -7.442 1.00 5.14 C ATOM 1460 CG ASN A 113 -9.423 -7.727 -7.061 1.00 5.80 C ATOM 1461 OD1 ASN A 113 -8.621 -6.816 -7.257 1.00 6.30 O ATOM 1462 ND2 ASN A 113 -10.616 -7.514 -6.534 1.00 6.14 N ATOM 0 H ASN A 113 -8.879 -9.374 -4.391 1.00 4.17 H new ATOM 0 HA ASN A 113 -8.191 -10.953 -6.706 1.00 4.65 H new ATOM 0 HB2 ASN A 113 -8.488 -9.165 -8.346 1.00 5.14 H new ATOM 0 HB3 ASN A 113 -10.023 -9.689 -7.681 1.00 5.14 H new ATOM 0 HD21 ASN A 113 -10.898 -6.568 -6.275 1.00 6.14 H new ATOM 0 HD22 ASN A 113 -11.255 -8.295 -6.386 1.00 6.14 H new ATOM 1469 N LYS A 114 -6.136 -9.310 -7.023 1.00 4.52 N ATOM 1470 CA LYS A 114 -4.841 -8.682 -6.897 1.00 4.85 C ATOM 1471 C LYS A 114 -4.333 -8.280 -8.272 1.00 5.78 C ATOM 1472 O LYS A 114 -3.987 -9.131 -9.083 1.00 6.19 O ATOM 1473 CB LYS A 114 -3.849 -9.633 -6.219 1.00 4.78 C ATOM 1474 CG LYS A 114 -2.451 -9.055 -6.061 1.00 5.11 C ATOM 1475 CD LYS A 114 -2.448 -7.835 -5.151 1.00 5.22 C ATOM 1476 CE LYS A 114 -1.134 -7.072 -5.234 1.00 6.07 C ATOM 1477 NZ LYS A 114 0.018 -7.867 -4.727 1.00 6.75 N ATOM 0 H LYS A 114 -6.295 -9.772 -7.919 1.00 4.52 H new ATOM 0 HA LYS A 114 -4.937 -7.790 -6.278 1.00 4.85 H new ATOM 0 HB2 LYS A 114 -4.233 -9.902 -5.235 1.00 4.78 H new ATOM 0 HB3 LYS A 114 -3.788 -10.553 -6.800 1.00 4.78 H new ATOM 0 HG2 LYS A 114 -1.786 -9.816 -5.652 1.00 5.11 H new ATOM 0 HG3 LYS A 114 -2.058 -8.780 -7.040 1.00 5.11 H new ATOM 0 HD2 LYS A 114 -3.270 -7.174 -5.426 1.00 5.22 H new ATOM 0 HD3 LYS A 114 -2.622 -8.149 -4.122 1.00 5.22 H new ATOM 0 HE2 LYS A 114 -0.947 -6.787 -6.269 1.00 6.07 H new ATOM 0 HE3 LYS A 114 -1.216 -6.149 -4.659 1.00 6.07 H new ATOM 0 HZ1 LYS A 114 0.597 -7.276 -4.097 1.00 6.75 H new ATOM 0 HZ2 LYS A 114 -0.334 -8.692 -4.201 1.00 6.75 H new ATOM 0 HZ3 LYS A 114 0.597 -8.189 -5.529 1.00 6.75 H new ATOM 1491 N PRO A 115 -4.331 -6.978 -8.565 1.00 6.36 N ATOM 1492 CA PRO A 115 -3.816 -6.451 -9.817 1.00 7.42 C ATOM 1493 C PRO A 115 -2.321 -6.139 -9.750 1.00 8.03 C ATOM 1494 O PRO A 115 -1.904 -5.177 -9.097 1.00 8.08 O ATOM 1495 CB PRO A 115 -4.617 -5.161 -10.019 1.00 7.93 C ATOM 1496 CG PRO A 115 -5.331 -4.893 -8.723 1.00 7.30 C ATOM 1497 CD PRO A 115 -4.867 -5.916 -7.724 1.00 6.27 C ATOM 0 HA PRO A 115 -3.922 -7.169 -10.630 1.00 7.42 H new ATOM 0 HB2 PRO A 115 -3.958 -4.332 -10.277 1.00 7.93 H new ATOM 0 HB3 PRO A 115 -5.328 -5.270 -10.838 1.00 7.93 H new ATOM 0 HG2 PRO A 115 -5.113 -3.886 -8.368 1.00 7.30 H new ATOM 0 HG3 PRO A 115 -6.410 -4.956 -8.861 1.00 7.30 H new ATOM 0 HD2 PRO A 115 -4.109 -5.511 -7.054 1.00 6.27 H new ATOM 0 HD3 PRO A 115 -5.687 -6.271 -7.100 1.00 6.27 H new ATOM 1505 N PRO A 116 -1.496 -6.974 -10.391 1.00 8.68 N ATOM 1506 CA PRO A 116 -0.085 -6.711 -10.571 1.00 9.51 C ATOM 1507 C PRO A 116 0.187 -6.033 -11.914 1.00 10.48 C ATOM 1508 O PRO A 116 -0.491 -6.324 -12.898 1.00 10.92 O ATOM 1509 CB PRO A 116 0.524 -8.113 -10.532 1.00 9.98 C ATOM 1510 CG PRO A 116 -0.575 -9.051 -10.947 1.00 9.58 C ATOM 1511 CD PRO A 116 -1.866 -8.264 -10.978 1.00 8.87 C ATOM 0 HA PRO A 116 0.326 -6.036 -9.820 1.00 9.51 H new ATOM 0 HB2 PRO A 116 1.377 -8.187 -11.207 1.00 9.98 H new ATOM 0 HB3 PRO A 116 0.887 -8.354 -9.533 1.00 9.98 H new ATOM 0 HG2 PRO A 116 -0.364 -9.477 -11.928 1.00 9.58 H new ATOM 0 HG3 PRO A 116 -0.652 -9.883 -10.247 1.00 9.58 H new ATOM 0 HD2 PRO A 116 -2.241 -8.149 -11.995 1.00 8.87 H new ATOM 0 HD3 PRO A 116 -2.650 -8.756 -10.403 1.00 8.87 H new ATOM 1519 N GLU A 117 1.148 -5.132 -11.972 1.00 10.96 N ATOM 1520 CA GLU A 117 1.427 -4.464 -13.231 1.00 11.99 C ATOM 1521 C GLU A 117 2.437 -5.257 -14.059 1.00 12.68 C ATOM 1522 O GLU A 117 2.218 -5.531 -15.240 1.00 12.96 O ATOM 1523 CB GLU A 117 1.898 -3.033 -12.990 1.00 12.67 C ATOM 1524 CG GLU A 117 0.867 -2.198 -12.238 1.00 13.04 C ATOM 1525 CD GLU A 117 1.106 -0.705 -12.340 1.00 13.71 C ATOM 1526 OE1 GLU A 117 0.892 -0.139 -13.429 1.00 14.28 O ATOM 1527 OE2 GLU A 117 1.466 -0.077 -11.323 1.00 13.79 O ATOM 0 H GLU A 117 1.735 -4.850 -11.187 1.00 10.96 H new ATOM 0 HA GLU A 117 0.502 -4.415 -13.805 1.00 11.99 H new ATOM 0 HB2 GLU A 117 2.829 -3.051 -12.424 1.00 12.67 H new ATOM 0 HB3 GLU A 117 2.116 -2.560 -13.947 1.00 12.67 H new ATOM 0 HG2 GLU A 117 -0.126 -2.426 -12.626 1.00 13.04 H new ATOM 0 HG3 GLU A 117 0.873 -2.488 -11.187 1.00 13.04 H new ATOM 1534 N THR A 118 3.547 -5.618 -13.405 1.00 13.09 N ATOM 1535 CA THR A 118 4.500 -6.609 -13.918 1.00 13.91 C ATOM 1536 C THR A 118 5.154 -6.182 -15.242 1.00 14.25 C ATOM 1537 O THR A 118 5.862 -6.964 -15.879 1.00 14.32 O ATOM 1538 CB THR A 118 3.794 -7.971 -14.081 1.00 14.52 C ATOM 1539 OG1 THR A 118 3.002 -8.248 -12.910 1.00 14.48 O ATOM 1540 CG2 THR A 118 4.798 -9.098 -14.279 1.00 14.97 C ATOM 0 H THR A 118 3.811 -5.229 -12.500 1.00 13.09 H new ATOM 0 HA THR A 118 5.306 -6.692 -13.188 1.00 13.91 H new ATOM 0 HB THR A 118 3.158 -7.915 -14.965 1.00 14.52 H new ATOM 0 HG1 THR A 118 2.553 -9.113 -13.016 1.00 14.48 H new ATOM 0 HG21 THR A 118 4.267 -10.043 -14.390 1.00 14.97 H new ATOM 0 HG22 THR A 118 5.389 -8.906 -15.175 1.00 14.97 H new ATOM 0 HG23 THR A 118 5.459 -9.153 -13.414 1.00 14.97 H new ATOM 1548 N LEU A 119 4.931 -4.936 -15.631 1.00 14.62 N ATOM 1549 CA LEU A 119 5.477 -4.412 -16.877 1.00 15.15 C ATOM 1550 C LEU A 119 6.921 -3.972 -16.697 1.00 15.86 C ATOM 1551 O LEU A 119 7.851 -4.634 -17.172 1.00 16.21 O ATOM 1552 CB LEU A 119 4.634 -3.235 -17.371 1.00 15.53 C ATOM 1553 CG LEU A 119 3.206 -3.585 -17.784 1.00 15.30 C ATOM 1554 CD1 LEU A 119 2.478 -2.328 -18.221 1.00 15.43 C ATOM 1555 CD2 LEU A 119 3.200 -4.626 -18.902 1.00 15.51 C ATOM 0 H LEU A 119 4.374 -4.266 -15.101 1.00 14.62 H new ATOM 0 HA LEU A 119 5.449 -5.210 -17.619 1.00 15.15 H new ATOM 0 HB2 LEU A 119 4.593 -2.482 -16.584 1.00 15.53 H new ATOM 0 HB3 LEU A 119 5.140 -2.779 -18.222 1.00 15.53 H new ATOM 0 HG LEU A 119 2.690 -4.016 -16.926 1.00 15.30 H new ATOM 0 HD11 LEU A 119 1.459 -2.581 -18.515 1.00 15.43 H new ATOM 0 HD12 LEU A 119 2.451 -1.617 -17.395 1.00 15.43 H new ATOM 0 HD13 LEU A 119 3.000 -1.881 -19.067 1.00 15.43 H new ATOM 0 HD21 LEU A 119 2.171 -4.858 -19.178 1.00 15.51 H new ATOM 0 HD22 LEU A 119 3.728 -4.231 -19.770 1.00 15.51 H new ATOM 0 HD23 LEU A 119 3.696 -5.533 -18.557 1.00 15.51 H new ATOM 1567 N ILE A 120 7.104 -2.850 -16.013 1.00 16.20 N ATOM 1568 CA ILE A 120 8.432 -2.321 -15.759 1.00 17.02 C ATOM 1569 C ILE A 120 8.908 -2.745 -14.365 1.00 17.51 C ATOM 1570 O ILE A 120 8.498 -2.185 -13.343 1.00 17.80 O ATOM 1571 CB ILE A 120 8.485 -0.771 -15.936 1.00 17.69 C ATOM 1572 CG1 ILE A 120 9.915 -0.252 -15.733 1.00 17.88 C ATOM 1573 CG2 ILE A 120 7.516 -0.057 -15.002 1.00 18.24 C ATOM 1574 CD1 ILE A 120 10.886 -0.694 -16.809 1.00 18.20 C ATOM 0 H ILE A 120 6.346 -2.290 -15.624 1.00 16.20 H new ATOM 0 HA ILE A 120 9.112 -2.741 -16.500 1.00 17.02 H new ATOM 0 HB ILE A 120 8.174 -0.550 -16.957 1.00 17.69 H new ATOM 0 HG12 ILE A 120 9.895 0.837 -15.701 1.00 17.88 H new ATOM 0 HG13 ILE A 120 10.281 -0.593 -14.765 1.00 17.88 H new ATOM 0 HG21 ILE A 120 7.586 1.019 -15.159 1.00 18.24 H new ATOM 0 HG22 ILE A 120 6.499 -0.389 -15.210 1.00 18.24 H new ATOM 0 HG23 ILE A 120 7.769 -0.290 -13.968 1.00 18.24 H new ATOM 0 HD11 ILE A 120 11.875 -0.288 -16.596 1.00 18.20 H new ATOM 0 HD12 ILE A 120 10.937 -1.783 -16.828 1.00 18.20 H new ATOM 0 HD13 ILE A 120 10.545 -0.330 -17.778 1.00 18.20 H new ATOM 1586 N THR A 121 9.750 -3.771 -14.344 1.00 17.74 N ATOM 1587 CA THR A 121 10.242 -4.346 -13.100 1.00 18.36 C ATOM 1588 C THR A 121 11.118 -3.356 -12.331 1.00 19.19 C ATOM 1589 O THR A 121 12.094 -2.823 -12.869 1.00 19.58 O ATOM 1590 CB THR A 121 11.040 -5.637 -13.371 1.00 18.34 C ATOM 1591 OG1 THR A 121 10.226 -6.559 -14.113 1.00 18.55 O ATOM 1592 CG2 THR A 121 11.488 -6.278 -12.063 1.00 18.03 C ATOM 0 H THR A 121 10.109 -4.225 -15.184 1.00 17.74 H new ATOM 0 HA THR A 121 9.371 -4.583 -12.490 1.00 18.36 H new ATOM 0 HB THR A 121 11.927 -5.384 -13.952 1.00 18.34 H new ATOM 0 HG1 THR A 121 10.735 -7.378 -14.286 1.00 18.55 H new ATOM 0 HG21 THR A 121 12.049 -7.188 -12.277 1.00 18.03 H new ATOM 0 HG22 THR A 121 12.122 -5.581 -11.515 1.00 18.03 H new ATOM 0 HG23 THR A 121 10.614 -6.525 -11.460 1.00 18.03 H new ATOM 1600 N THR A 122 10.771 -3.119 -11.075 1.00 19.55 N ATOM 1601 CA THR A 122 11.507 -2.175 -10.256 1.00 20.46 C ATOM 1602 C THR A 122 12.255 -2.901 -9.137 1.00 21.12 C ATOM 1603 O THR A 122 11.701 -3.777 -8.465 1.00 21.25 O ATOM 1604 CB THR A 122 10.569 -1.095 -9.666 1.00 20.60 C ATOM 1605 OG1 THR A 122 11.324 -0.125 -8.932 1.00 20.58 O ATOM 1606 CG2 THR A 122 9.507 -1.706 -8.761 1.00 20.60 C ATOM 0 H THR A 122 9.986 -3.568 -10.604 1.00 19.55 H new ATOM 0 HA THR A 122 12.235 -1.676 -10.895 1.00 20.46 H new ATOM 0 HB THR A 122 10.066 -0.609 -10.502 1.00 20.60 H new ATOM 0 HG1 THR A 122 10.718 0.553 -8.566 1.00 20.58 H new ATOM 0 HG21 THR A 122 8.868 -0.917 -8.366 1.00 20.60 H new ATOM 0 HG22 THR A 122 8.903 -2.410 -9.333 1.00 20.60 H new ATOM 0 HG23 THR A 122 9.990 -2.229 -7.936 1.00 20.60 H new ATOM 1614 N ILE A 123 13.524 -2.565 -8.965 1.00 21.64 N ATOM 1615 CA ILE A 123 14.349 -3.192 -7.937 1.00 22.40 C ATOM 1616 C ILE A 123 15.176 -2.119 -7.205 1.00 22.78 C ATOM 1617 O ILE A 123 14.956 -0.922 -7.413 1.00 22.98 O ATOM 1618 CB ILE A 123 15.293 -4.271 -8.543 1.00 23.08 C ATOM 1619 CG1 ILE A 123 14.579 -5.077 -9.631 1.00 23.05 C ATOM 1620 CG2 ILE A 123 15.785 -5.227 -7.462 1.00 23.52 C ATOM 1621 CD1 ILE A 123 15.461 -6.118 -10.286 1.00 23.60 C ATOM 0 H ILE A 123 14.008 -1.861 -9.523 1.00 21.64 H new ATOM 0 HA ILE A 123 13.686 -3.688 -7.228 1.00 22.40 H new ATOM 0 HB ILE A 123 16.143 -3.749 -8.982 1.00 23.08 H new ATOM 0 HG12 ILE A 123 13.710 -5.570 -9.196 1.00 23.05 H new ATOM 0 HG13 ILE A 123 14.208 -4.393 -10.395 1.00 23.05 H new ATOM 0 HG21 ILE A 123 16.443 -5.973 -7.908 1.00 23.52 H new ATOM 0 HG22 ILE A 123 16.332 -4.668 -6.703 1.00 23.52 H new ATOM 0 HG23 ILE A 123 14.932 -5.725 -7.001 1.00 23.52 H new ATOM 0 HD11 ILE A 123 14.891 -6.651 -11.047 1.00 23.60 H new ATOM 0 HD12 ILE A 123 16.317 -5.629 -10.751 1.00 23.60 H new ATOM 0 HD13 ILE A 123 15.811 -6.824 -9.533 1.00 23.60 H new ATOM 1633 N ASP A 124 16.098 -2.562 -6.342 1.00 22.96 N ATOM 1634 CA ASP A 124 17.015 -1.686 -5.597 1.00 23.43 C ATOM 1635 C ASP A 124 16.308 -1.001 -4.433 1.00 23.78 C ATOM 1636 O ASP A 124 16.566 -1.326 -3.275 1.00 23.78 O ATOM 1637 CB ASP A 124 17.670 -0.642 -6.512 1.00 23.94 C ATOM 1638 CG ASP A 124 18.687 0.217 -5.783 1.00 24.17 C ATOM 1639 OD1 ASP A 124 18.282 1.206 -5.139 1.00 24.41 O ATOM 1640 OD2 ASP A 124 19.894 -0.093 -5.849 1.00 24.20 O ATOM 0 H ASP A 124 16.231 -3.552 -6.138 1.00 22.96 H new ATOM 0 HA ASP A 124 17.802 -2.322 -5.193 1.00 23.43 H new ATOM 0 HB2 ASP A 124 18.158 -1.149 -7.344 1.00 23.94 H new ATOM 0 HB3 ASP A 124 16.897 -0.002 -6.938 1.00 23.94 H new ATOM 1645 N SER A 125 15.410 -0.068 -4.742 1.00 24.16 N ATOM 1646 CA SER A 125 14.699 0.674 -3.709 1.00 24.63 C ATOM 1647 C SER A 125 13.494 1.440 -4.274 1.00 24.84 C ATOM 1648 O SER A 125 12.360 0.978 -4.191 1.00 25.03 O ATOM 1649 CB SER A 125 15.651 1.638 -2.995 1.00 25.24 C ATOM 1650 OG SER A 125 16.348 2.464 -3.923 1.00 25.57 O ATOM 0 H SER A 125 15.160 0.190 -5.697 1.00 24.16 H new ATOM 0 HA SER A 125 14.318 -0.053 -2.992 1.00 24.63 H new ATOM 0 HB2 SER A 125 15.087 2.262 -2.302 1.00 25.24 H new ATOM 0 HB3 SER A 125 16.368 1.071 -2.401 1.00 25.24 H new ATOM 0 HG SER A 125 17.216 2.060 -4.133 1.00 25.57 H new ATOM 1656 N SER A 126 13.749 2.617 -4.833 1.00 24.89 N ATOM 1657 CA SER A 126 12.684 3.461 -5.364 1.00 25.18 C ATOM 1658 C SER A 126 13.022 3.958 -6.764 1.00 25.41 C ATOM 1659 O SER A 126 12.405 4.902 -7.263 1.00 25.51 O ATOM 1660 CB SER A 126 12.445 4.654 -4.435 1.00 25.59 C ATOM 1661 OG SER A 126 13.661 5.333 -4.165 1.00 25.84 O ATOM 0 H SER A 126 14.685 3.010 -4.931 1.00 24.89 H new ATOM 0 HA SER A 126 11.777 2.860 -5.423 1.00 25.18 H new ATOM 0 HB2 SER A 126 11.734 5.341 -4.893 1.00 25.59 H new ATOM 0 HB3 SER A 126 12.000 4.310 -3.501 1.00 25.59 H new ATOM 0 HG SER A 126 13.487 6.093 -3.571 1.00 25.84 H new ATOM 1667 N SER A 127 14.010 3.305 -7.388 1.00 25.58 N ATOM 1668 CA SER A 127 14.483 3.683 -8.715 1.00 25.89 C ATOM 1669 C SER A 127 14.966 5.137 -8.705 1.00 26.06 C ATOM 1670 O SER A 127 14.664 5.922 -9.608 1.00 26.48 O ATOM 1671 CB SER A 127 13.369 3.475 -9.751 1.00 26.15 C ATOM 1672 OG SER A 127 13.842 3.686 -11.069 1.00 26.55 O ATOM 0 H SER A 127 14.498 2.505 -6.986 1.00 25.58 H new ATOM 0 HA SER A 127 15.325 3.048 -8.992 1.00 25.89 H new ATOM 0 HB2 SER A 127 12.973 2.463 -9.663 1.00 26.15 H new ATOM 0 HB3 SER A 127 12.546 4.159 -9.545 1.00 26.15 H new ATOM 0 HG SER A 127 14.262 4.569 -11.128 1.00 26.55 H new ATOM 1678 N SER A 128 15.711 5.489 -7.667 1.00 25.83 N ATOM 1679 CA SER A 128 16.198 6.842 -7.497 1.00 26.03 C ATOM 1680 C SER A 128 17.731 6.861 -7.485 1.00 25.96 C ATOM 1681 O SER A 128 18.334 7.180 -8.529 1.00 26.15 O ATOM 1682 CB SER A 128 15.634 7.422 -6.199 1.00 26.24 C ATOM 1683 OG SER A 128 14.211 7.394 -6.206 1.00 26.24 O ATOM 1684 OXT SER A 128 18.324 6.535 -6.437 1.00 25.79 O ATOM 0 H SER A 128 15.991 4.847 -6.926 1.00 25.83 H new ATOM 0 HA SER A 128 15.864 7.456 -8.333 1.00 26.03 H new ATOM 0 HB2 SER A 128 16.009 6.852 -5.349 1.00 26.24 H new ATOM 0 HB3 SER A 128 15.981 8.448 -6.073 1.00 26.24 H new ATOM 0 HG SER A 128 13.893 6.744 -5.545 1.00 26.24 H new TER 1690 SER A 128 HETATM 1691 FE HEM A 129 -5.599 13.913 -3.601 1.00 0.38 FE HETATM 1692 CHA HEM A 129 -5.828 16.649 -5.639 1.00 0.50 C HETATM 1693 CHB HEM A 129 -2.962 12.659 -5.528 1.00 0.41 C HETATM 1694 CHC HEM A 129 -5.264 11.197 -1.437 1.00 0.38 C HETATM 1695 CHD HEM A 129 -8.385 14.974 -1.786 1.00 0.47 C HETATM 1696 NA HEM A 129 -4.571 14.544 -5.284 1.00 0.41 N HETATM 1697 C1A HEM A 129 -4.855 15.695 -5.948 1.00 0.46 C HETATM 1698 C2A HEM A 129 -3.965 15.784 -7.081 1.00 0.49 C HETATM 1699 C3A HEM A 129 -3.173 14.660 -7.078 1.00 0.47 C HETATM 1700 C4A HEM A 129 -3.551 13.876 -5.910 1.00 0.42 C HETATM 1701 CMA HEM A 129 -2.110 14.317 -8.103 1.00 0.54 C HETATM 1702 CAA HEM A 129 -3.942 16.926 -8.072 1.00 0.58 C HETATM 1703 CBA HEM A 129 -5.060 17.204 -9.086 1.00 0.94 C HETATM 1704 CGA HEM A 129 -4.791 16.771 -10.528 1.00 1.22 C HETATM 1705 O1A HEM A 129 -4.307 17.644 -11.278 1.00 2.03 O HETATM 1706 O2A HEM A 129 -5.069 15.596 -10.866 1.00 1.18 O HETATM 1707 NB HEM A 129 -4.315 12.296 -3.460 1.00 0.36 N HETATM 1708 C1B HEM A 129 -3.289 12.017 -4.331 1.00 0.37 C HETATM 1709 C2B HEM A 129 -2.538 10.906 -3.794 1.00 0.37 C HETATM 1710 C3B HEM A 129 -3.223 10.476 -2.678 1.00 0.35 C HETATM 1711 C4B HEM A 129 -4.352 11.346 -2.469 1.00 0.35 C HETATM 1712 CMB HEM A 129 -1.263 10.373 -4.381 1.00 0.43 C HETATM 1713 CAB HEM A 129 -2.872 9.294 -1.788 1.00 0.38 C HETATM 1714 CBB HEM A 129 -2.681 8.052 -2.280 1.00 0.52 C HETATM 1715 NC HEM A 129 -6.635 13.214 -1.910 1.00 0.39 N HETATM 1716 C1C HEM A 129 -6.310 12.084 -1.207 1.00 0.40 C HETATM 1717 C2C HEM A 129 -7.262 11.941 -0.130 1.00 0.49 C HETATM 1718 C3C HEM A 129 -8.070 13.054 -0.179 1.00 0.47 C HETATM 1719 C4C HEM A 129 -7.724 13.824 -1.346 1.00 0.43 C HETATM 1720 CMC HEM A 129 -7.332 10.786 0.843 1.00 0.64 C HETATM 1721 CAC HEM A 129 -9.166 13.429 0.806 1.00 0.55 C HETATM 1722 CBC HEM A 129 -9.192 13.070 2.114 1.00 0.66 C HETATM 1723 ND HEM A 129 -6.897 15.498 -3.720 1.00 0.44 N HETATM 1724 C1D HEM A 129 -7.970 15.714 -2.900 1.00 0.47 C HETATM 1725 C2D HEM A 129 -8.654 16.893 -3.390 1.00 0.54 C HETATM 1726 C3D HEM A 129 -7.931 17.367 -4.463 1.00 0.55 C HETATM 1727 C4D HEM A 129 -6.800 16.483 -4.650 1.00 0.49 C HETATM 1728 CMD HEM A 129 -9.924 17.468 -2.811 1.00 0.62 C HETATM 1729 CAD HEM A 129 -8.229 18.580 -5.318 1.00 0.65 C HETATM 1730 CBD HEM A 129 -8.134 20.035 -4.838 1.00 1.49 C HETATM 1731 CGD HEM A 129 -9.344 20.493 -4.032 1.00 2.30 C HETATM 1732 O1D HEM A 129 -9.125 20.967 -2.895 1.00 3.20 O HETATM 1733 O2D HEM A 129 -10.466 20.371 -4.563 1.00 2.66 O HETATM 0 HMA1 HEM A 129 -2.387 14.738 -9.070 1.00 0.54 H new HETATM 0 HMA2 HEM A 129 -2.024 13.234 -8.190 1.00 0.54 H new HETATM 0 HMA3 HEM A 129 -1.153 14.732 -7.788 1.00 0.54 H new HETATM 0 HMB1 HEM A 129 -1.264 10.533 -5.459 1.00 0.43 H new HETATM 0 HMB2 HEM A 129 -1.185 9.306 -4.173 1.00 0.43 H new HETATM 0 HMB3 HEM A 129 -0.413 10.892 -3.938 1.00 0.43 H new HETATM 0 HMC1 HEM A 129 -6.976 9.878 0.356 1.00 0.64 H new HETATM 0 HMC2 HEM A 129 -8.363 10.644 1.165 1.00 0.64 H new HETATM 0 HMC3 HEM A 129 -6.708 11.002 1.710 1.00 0.64 H new HETATM 0 HMD1 HEM A 129 -10.523 16.666 -2.379 1.00 0.62 H new HETATM 0 HMD2 HEM A 129 -10.493 17.961 -3.599 1.00 0.62 H new HETATM 0 HMD3 HEM A 129 -9.675 18.193 -2.036 1.00 0.62 H new HETATM 0 HBB1 HEM A 129 -2.431 7.232 -1.607 1.00 0.52 H new HETATM 0 HBB2 HEM A 129 -2.777 7.869 -3.350 1.00 0.52 H new HETATM 0 HBC1 HEM A 129 -10.020 13.385 2.749 1.00 0.66 H new HETATM 0 HBC2 HEM A 129 -8.385 12.467 2.530 1.00 0.66 H new HETATM 0 HBA1 HEM A 129 -5.266 18.274 -9.083 1.00 0.94 H new HETATM 0 HBA2 HEM A 129 -5.966 16.704 -8.742 1.00 0.94 H new HETATM 0 HAA1 HEM A 129 -3.027 16.807 -8.652 1.00 0.58 H new HETATM 0 HAA2 HEM A 129 -3.831 17.837 -7.484 1.00 0.58 H new HETATM 0 HBD1 HEM A 129 -8.017 20.687 -5.703 1.00 1.49 H new HETATM 0 HBD2 HEM A 129 -7.238 20.150 -4.229 1.00 1.49 H new HETATM 0 HAD1 HEM A 129 -9.249 18.449 -5.680 1.00 0.65 H new HETATM 0 HAD2 HEM A 129 -7.571 18.506 -6.184 1.00 0.65 H new HETATM 0 HHA HEM A 129 -5.828 17.572 -6.200 1.00 0.50 H new HETATM 0 HHB HEM A 129 -2.232 12.205 -6.182 1.00 0.41 H new HETATM 0 HHC HEM A 129 -5.157 10.349 -0.777 1.00 0.38 H new HETATM 0 HHD HEM A 129 -9.256 15.307 -1.242 1.00 0.47 H new HETATM 0 HAB HEM A 129 -2.771 9.456 -0.715 1.00 0.38 H new HETATM 0 HAC HEM A 129 -9.994 14.032 0.433 1.00 0.55 H new