USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=31 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 51 HIS : no HD1:sc= -1.26 X(o=-0.2,f=-0.27) USER MOD Set 1.2: A 80 THR OG1 : rot -84:sc= 1.06 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 2.39 (180deg=2.06) USER MOD Single : A 31 TYR OH : rot 180:sc= 0.639 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -65:sc= -0.567 USER MOD Single : A 38 GLN : amide:sc= 1.18 K(o=1.2,f=-0.055) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -0.374 K(o=-0.37,f=-3.3) USER MOD Single : A 41 ASN : amide:sc= 0.174 K(o=0.17,f=-4.4!) USER MOD Single : A 42 HIS : no HD1:sc= -1.04 K(o=-1,f=-3.2!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= -0.0845 (180deg=-0.434) USER MOD Single : A 45 SER OG : rot 180:sc= -0.214 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-0.81) USER MOD Single : A 53 LYS NZ :NH3+ 135:sc= 0.854 (180deg=-0.528!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 89:sc= 1.58 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.454 X(o=0.45,f=0) USER MOD Single : A 82 ASN : amide:sc= 1.09 K(o=1.1,f=-0.64) USER MOD Single : A 89 SER OG : rot 115:sc= 1.27 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0624 USER MOD Single : A 95 MET CE :methyl -107:sc= 0 (180deg=-1.48) USER MOD Single : A 96 SER OG : rot -115:sc= 1.3 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 105 HIS : no HD1:sc= -3.78! C(o=-3.8!,f=-3.5!) USER MOD Single : A 111 LYS NZ :NH3+ -166:sc= 1.23 (180deg=1.06) USER MOD Single : A 113 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.061) USER MOD Single : A 114 LYS NZ :NH3+ 172:sc= 2.38 (180deg=2.22) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -56:sc= 0.19 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 141:sc= 0.748 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HEM CMA :methyl -30:sc= -0.12 (180deg=-0.289) USER MOD Single : A 129 HEM CMB :methyl -30:sc= -0.134 (180deg=-2.42!) USER MOD Single : A 129 HEM CMC :methyl -30:sc= -1.54 (180deg=-4.46!) USER MOD Single : A 129 HEM CMD :methyl 150:sc= -0.136 (180deg=-0.136) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 16.147 -3.304 -5.159 1.00 14.68 N ATOM 2 CA MET A 21 16.285 -3.937 -3.852 1.00 14.32 C ATOM 3 C MET A 21 15.349 -5.140 -3.786 1.00 13.51 C ATOM 4 O MET A 21 15.789 -6.285 -3.682 1.00 13.68 O ATOM 5 CB MET A 21 15.945 -2.938 -2.736 1.00 14.15 C ATOM 6 CG MET A 21 16.169 -3.466 -1.328 1.00 14.65 C ATOM 7 SD MET A 21 15.692 -2.260 -0.076 1.00 15.21 S ATOM 8 CE MET A 21 16.124 -3.119 1.433 1.00 15.63 C ATOM 0 HA MET A 21 17.315 -4.265 -3.712 1.00 14.32 H new ATOM 0 HB2 MET A 21 16.547 -2.040 -2.874 1.00 14.15 H new ATOM 0 HB3 MET A 21 14.901 -2.641 -2.837 1.00 14.15 H new ATOM 0 HG2 MET A 21 15.595 -4.382 -1.188 1.00 14.65 H new ATOM 0 HG3 MET A 21 17.220 -3.726 -1.200 1.00 14.65 H new ATOM 0 HE1 MET A 21 15.883 -2.491 2.291 1.00 15.63 H new ATOM 0 HE2 MET A 21 15.561 -4.050 1.496 1.00 15.63 H new ATOM 0 HE3 MET A 21 17.191 -3.340 1.433 1.00 15.63 H new ATOM 18 N ALA A 22 14.059 -4.847 -3.875 1.00 12.77 N ATOM 19 CA ALA A 22 13.005 -5.849 -3.934 1.00 12.10 C ATOM 20 C ALA A 22 11.820 -5.245 -4.674 1.00 11.21 C ATOM 21 O ALA A 22 11.183 -4.318 -4.174 1.00 11.30 O ATOM 22 CB ALA A 22 12.605 -6.302 -2.536 1.00 12.20 C ATOM 0 H ALA A 22 13.710 -3.889 -3.909 1.00 12.77 H new ATOM 0 HA ALA A 22 13.361 -6.733 -4.464 1.00 12.10 H new ATOM 0 HB1 ALA A 22 11.816 -7.051 -2.608 1.00 12.20 H new ATOM 0 HB2 ALA A 22 13.470 -6.734 -2.032 1.00 12.20 H new ATOM 0 HB3 ALA A 22 12.243 -5.446 -1.966 1.00 12.20 H new ATOM 28 N GLU A 23 11.557 -5.750 -5.873 1.00 10.56 N ATOM 29 CA GLU A 23 10.733 -5.037 -6.858 1.00 9.86 C ATOM 30 C GLU A 23 9.310 -4.750 -6.378 1.00 9.83 C ATOM 31 O GLU A 23 9.021 -3.650 -5.907 1.00 10.22 O ATOM 32 CB GLU A 23 10.707 -5.801 -8.180 1.00 8.92 C ATOM 33 CG GLU A 23 12.093 -6.013 -8.774 1.00 9.14 C ATOM 34 CD GLU A 23 12.853 -4.715 -8.967 1.00 9.74 C ATOM 35 OE1 GLU A 23 12.491 -3.936 -9.873 1.00 9.87 O ATOM 36 OE2 GLU A 23 13.822 -4.469 -8.224 1.00 10.29 O ATOM 0 H GLU A 23 11.902 -6.655 -6.194 1.00 10.56 H new ATOM 0 HA GLU A 23 11.204 -4.065 -7.003 1.00 9.86 H new ATOM 0 HB2 GLU A 23 10.233 -6.770 -8.024 1.00 8.92 H new ATOM 0 HB3 GLU A 23 10.091 -5.257 -8.896 1.00 8.92 H new ATOM 0 HG2 GLU A 23 12.666 -6.671 -8.121 1.00 9.14 H new ATOM 0 HG3 GLU A 23 11.998 -6.520 -9.734 1.00 9.14 H new ATOM 43 N GLN A 24 8.415 -5.719 -6.520 1.00 9.65 N ATOM 44 CA GLN A 24 7.027 -5.517 -6.126 1.00 9.95 C ATOM 45 C GLN A 24 6.260 -6.834 -6.119 1.00 9.30 C ATOM 46 O GLN A 24 6.238 -7.547 -5.119 1.00 9.57 O ATOM 47 CB GLN A 24 6.334 -4.513 -7.060 1.00 10.36 C ATOM 48 CG GLN A 24 5.069 -3.906 -6.469 1.00 11.10 C ATOM 49 CD GLN A 24 4.257 -3.122 -7.484 1.00 11.88 C ATOM 50 OE1 GLN A 24 4.795 -2.582 -8.448 1.00 12.37 O ATOM 51 NE2 GLN A 24 2.952 -3.045 -7.278 1.00 12.20 N ATOM 0 H GLN A 24 8.622 -6.643 -6.901 1.00 9.65 H new ATOM 0 HA GLN A 24 7.029 -5.112 -5.114 1.00 9.95 H new ATOM 0 HB2 GLN A 24 7.033 -3.712 -7.302 1.00 10.36 H new ATOM 0 HB3 GLN A 24 6.085 -5.012 -7.996 1.00 10.36 H new ATOM 0 HG2 GLN A 24 4.451 -4.702 -6.054 1.00 11.10 H new ATOM 0 HG3 GLN A 24 5.340 -3.249 -5.643 1.00 11.10 H new ATOM 0 HE21 GLN A 24 2.536 -3.504 -6.468 1.00 12.20 H new ATOM 0 HE22 GLN A 24 2.363 -2.526 -7.929 1.00 12.20 H new ATOM 60 N SER A 25 5.670 -7.171 -7.259 1.00 8.66 N ATOM 61 CA SER A 25 4.707 -8.263 -7.343 1.00 8.30 C ATOM 62 C SER A 25 5.410 -9.566 -7.699 1.00 7.40 C ATOM 63 O SER A 25 5.015 -10.651 -7.281 1.00 7.32 O ATOM 64 CB SER A 25 3.654 -7.917 -8.407 1.00 8.45 C ATOM 65 OG SER A 25 2.593 -8.861 -8.440 1.00 8.80 O ATOM 0 H SER A 25 5.844 -6.699 -8.146 1.00 8.66 H new ATOM 0 HA SER A 25 4.221 -8.395 -6.376 1.00 8.30 H new ATOM 0 HB2 SER A 25 3.249 -6.925 -8.206 1.00 8.45 H new ATOM 0 HB3 SER A 25 4.130 -7.874 -9.386 1.00 8.45 H new ATOM 0 HG SER A 25 1.946 -8.602 -9.129 1.00 8.80 H new ATOM 71 N ASP A 26 6.489 -9.399 -8.456 1.00 7.02 N ATOM 72 CA ASP A 26 7.258 -10.487 -9.058 1.00 6.51 C ATOM 73 C ASP A 26 7.649 -11.565 -8.051 1.00 5.72 C ATOM 74 O ASP A 26 7.579 -12.755 -8.333 1.00 5.93 O ATOM 75 CB ASP A 26 8.522 -9.882 -9.645 1.00 6.68 C ATOM 76 CG ASP A 26 9.182 -10.782 -10.657 1.00 7.05 C ATOM 77 OD1 ASP A 26 9.733 -11.827 -10.238 1.00 7.19 O ATOM 78 OD2 ASP A 26 9.154 -10.467 -11.860 1.00 7.49 O ATOM 0 H ASP A 26 6.865 -8.477 -8.675 1.00 7.02 H new ATOM 0 HA ASP A 26 6.638 -10.968 -9.814 1.00 6.51 H new ATOM 0 HB2 ASP A 26 8.279 -8.929 -10.116 1.00 6.68 H new ATOM 0 HB3 ASP A 26 9.226 -9.670 -8.840 1.00 6.68 H new ATOM 83 N GLU A 27 8.057 -11.103 -6.881 1.00 5.18 N ATOM 84 CA GLU A 27 8.706 -11.933 -5.882 1.00 4.82 C ATOM 85 C GLU A 27 7.734 -12.301 -4.781 1.00 3.91 C ATOM 86 O GLU A 27 7.607 -13.468 -4.408 1.00 4.18 O ATOM 87 CB GLU A 27 9.897 -11.167 -5.301 1.00 5.12 C ATOM 88 CG GLU A 27 9.620 -9.679 -5.139 1.00 5.86 C ATOM 89 CD GLU A 27 10.694 -8.953 -4.369 1.00 6.70 C ATOM 90 OE1 GLU A 27 11.750 -8.665 -4.972 1.00 7.26 O ATOM 91 OE2 GLU A 27 10.499 -8.706 -3.166 1.00 7.03 O ATOM 0 H GLU A 27 7.945 -10.130 -6.596 1.00 5.18 H new ATOM 0 HA GLU A 27 9.052 -12.856 -6.348 1.00 4.82 H new ATOM 0 HB2 GLU A 27 10.157 -11.591 -4.331 1.00 5.12 H new ATOM 0 HB3 GLU A 27 10.762 -11.302 -5.951 1.00 5.12 H new ATOM 0 HG2 GLU A 27 9.520 -9.226 -6.125 1.00 5.86 H new ATOM 0 HG3 GLU A 27 8.665 -9.548 -4.630 1.00 5.86 H new ATOM 98 N ALA A 28 7.053 -11.292 -4.271 1.00 3.15 N ATOM 99 CA ALA A 28 6.119 -11.453 -3.177 1.00 2.43 C ATOM 100 C ALA A 28 5.392 -10.143 -2.932 1.00 1.93 C ATOM 101 O ALA A 28 6.025 -9.110 -2.692 1.00 2.03 O ATOM 102 CB ALA A 28 6.844 -11.908 -1.915 1.00 2.71 C ATOM 0 H ALA A 28 7.134 -10.333 -4.608 1.00 3.15 H new ATOM 0 HA ALA A 28 5.391 -12.220 -3.442 1.00 2.43 H new ATOM 0 HB1 ALA A 28 6.125 -12.023 -1.104 1.00 2.71 H new ATOM 0 HB2 ALA A 28 7.336 -12.862 -2.102 1.00 2.71 H new ATOM 0 HB3 ALA A 28 7.590 -11.164 -1.636 1.00 2.71 H new ATOM 108 N VAL A 29 4.073 -10.184 -3.032 1.00 1.65 N ATOM 109 CA VAL A 29 3.244 -9.015 -2.788 1.00 1.29 C ATOM 110 C VAL A 29 3.381 -8.595 -1.332 1.00 1.04 C ATOM 111 O VAL A 29 3.013 -9.346 -0.429 1.00 1.10 O ATOM 112 CB VAL A 29 1.760 -9.309 -3.112 1.00 1.34 C ATOM 113 CG1 VAL A 29 0.903 -8.063 -2.985 1.00 1.70 C ATOM 114 CG2 VAL A 29 1.623 -9.903 -4.502 1.00 1.82 C ATOM 0 H VAL A 29 3.550 -11.023 -3.283 1.00 1.65 H new ATOM 0 HA VAL A 29 3.580 -8.208 -3.439 1.00 1.29 H new ATOM 0 HB VAL A 29 1.403 -10.036 -2.382 1.00 1.34 H new ATOM 0 HG11 VAL A 29 -0.133 -8.308 -3.220 1.00 1.70 H new ATOM 0 HG12 VAL A 29 0.963 -7.682 -1.965 1.00 1.70 H new ATOM 0 HG13 VAL A 29 1.262 -7.302 -3.678 1.00 1.70 H new ATOM 0 HG21 VAL A 29 0.572 -10.102 -4.710 1.00 1.82 H new ATOM 0 HG22 VAL A 29 2.012 -9.200 -5.238 1.00 1.82 H new ATOM 0 HG23 VAL A 29 2.187 -10.834 -4.557 1.00 1.82 H new ATOM 124 N LYS A 30 3.929 -7.407 -1.109 1.00 0.90 N ATOM 125 CA LYS A 30 4.215 -6.950 0.245 1.00 0.79 C ATOM 126 C LYS A 30 2.926 -6.627 0.991 1.00 0.63 C ATOM 127 O LYS A 30 2.048 -5.955 0.456 1.00 0.66 O ATOM 128 CB LYS A 30 5.153 -5.731 0.257 1.00 0.87 C ATOM 129 CG LYS A 30 6.530 -6.004 -0.336 1.00 1.26 C ATOM 130 CD LYS A 30 6.532 -5.876 -1.852 1.00 2.11 C ATOM 131 CE LYS A 30 7.906 -6.175 -2.436 1.00 2.93 C ATOM 132 NZ LYS A 30 8.319 -7.583 -2.187 1.00 3.71 N ATOM 0 H LYS A 30 4.183 -6.746 -1.843 1.00 0.90 H new ATOM 0 HA LYS A 30 4.726 -7.767 0.755 1.00 0.79 H new ATOM 0 HB2 LYS A 30 4.684 -4.919 -0.298 1.00 0.87 H new ATOM 0 HB3 LYS A 30 5.273 -5.387 1.284 1.00 0.87 H new ATOM 0 HG2 LYS A 30 7.252 -5.306 0.088 1.00 1.26 H new ATOM 0 HG3 LYS A 30 6.853 -7.007 -0.056 1.00 1.26 H new ATOM 0 HD2 LYS A 30 5.798 -6.561 -2.277 1.00 2.11 H new ATOM 0 HD3 LYS A 30 6.228 -4.868 -2.133 1.00 2.11 H new ATOM 0 HE2 LYS A 30 7.894 -5.984 -3.509 1.00 2.93 H new ATOM 0 HE3 LYS A 30 8.641 -5.498 -2.000 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 9.202 -7.781 -2.699 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 8.470 -7.725 -1.168 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 7.574 -8.227 -2.520 1.00 3.71 H new ATOM 146 N TYR A 31 2.808 -7.091 2.223 1.00 0.56 N ATOM 147 CA TYR A 31 1.601 -6.843 2.991 1.00 0.49 C ATOM 148 C TYR A 31 1.900 -6.101 4.286 1.00 0.50 C ATOM 149 O TYR A 31 2.994 -6.202 4.840 1.00 0.64 O ATOM 150 CB TYR A 31 0.879 -8.154 3.300 1.00 0.56 C ATOM 151 CG TYR A 31 0.487 -8.934 2.069 1.00 0.63 C ATOM 152 CD1 TYR A 31 -0.238 -8.338 1.044 1.00 0.61 C ATOM 153 CD2 TYR A 31 0.860 -10.262 1.927 1.00 0.81 C ATOM 154 CE1 TYR A 31 -0.586 -9.057 -0.085 1.00 0.75 C ATOM 155 CE2 TYR A 31 0.520 -10.983 0.809 1.00 0.94 C ATOM 156 CZ TYR A 31 -0.269 -10.352 -0.191 1.00 0.89 C ATOM 157 OH TYR A 31 -0.536 -11.108 -1.310 1.00 1.06 O ATOM 0 H TYR A 31 3.523 -7.634 2.707 1.00 0.56 H new ATOM 0 HA TYR A 31 0.954 -6.213 2.381 1.00 0.49 H new ATOM 0 HB2 TYR A 31 1.522 -8.775 3.923 1.00 0.56 H new ATOM 0 HB3 TYR A 31 -0.016 -7.937 3.883 1.00 0.56 H new ATOM 0 HD1 TYR A 31 -0.533 -7.303 1.130 1.00 0.61 H new ATOM 0 HD2 TYR A 31 1.429 -10.739 2.711 1.00 0.81 H new ATOM 0 HE1 TYR A 31 -1.118 -8.569 -0.888 1.00 0.75 H new ATOM 0 HE2 TYR A 31 0.845 -12.006 0.692 1.00 0.94 H new ATOM 0 HH TYR A 31 -0.218 -12.024 -1.169 1.00 1.06 H new ATOM 167 N TYR A 32 0.928 -5.333 4.730 1.00 0.43 N ATOM 168 CA TYR A 32 0.932 -4.758 6.061 1.00 0.46 C ATOM 169 C TYR A 32 -0.241 -5.371 6.811 1.00 0.53 C ATOM 170 O TYR A 32 -0.658 -6.471 6.462 1.00 0.89 O ATOM 171 CB TYR A 32 0.838 -3.225 5.991 1.00 0.46 C ATOM 172 CG TYR A 32 2.088 -2.566 5.436 1.00 0.52 C ATOM 173 CD1 TYR A 32 2.368 -2.576 4.073 1.00 0.98 C ATOM 174 CD2 TYR A 32 2.990 -1.939 6.283 1.00 1.09 C ATOM 175 CE1 TYR A 32 3.510 -1.977 3.573 1.00 1.03 C ATOM 176 CE2 TYR A 32 4.136 -1.340 5.793 1.00 1.20 C ATOM 177 CZ TYR A 32 4.391 -1.360 4.437 1.00 0.81 C ATOM 178 OH TYR A 32 5.534 -0.765 3.947 1.00 0.96 O ATOM 0 H TYR A 32 0.108 -5.088 4.176 1.00 0.43 H new ATOM 0 HA TYR A 32 1.862 -4.978 6.585 1.00 0.46 H new ATOM 0 HB2 TYR A 32 -0.015 -2.949 5.370 1.00 0.46 H new ATOM 0 HB3 TYR A 32 0.644 -2.835 6.990 1.00 0.46 H new ATOM 0 HD1 TYR A 32 1.682 -3.060 3.394 1.00 0.98 H new ATOM 0 HD2 TYR A 32 2.794 -1.918 7.345 1.00 1.09 H new ATOM 0 HE1 TYR A 32 3.711 -1.992 2.512 1.00 1.03 H new ATOM 0 HE2 TYR A 32 4.828 -0.859 6.468 1.00 1.20 H new ATOM 0 HH TYR A 32 6.044 -0.376 4.688 1.00 0.96 H new ATOM 188 N THR A 33 -0.753 -4.722 7.837 1.00 0.48 N ATOM 189 CA THR A 33 -1.997 -5.159 8.456 1.00 0.57 C ATOM 190 C THR A 33 -3.014 -4.021 8.427 1.00 0.56 C ATOM 191 O THR A 33 -2.800 -3.033 7.733 1.00 0.60 O ATOM 192 CB THR A 33 -1.765 -5.625 9.903 1.00 0.72 C ATOM 193 OG1 THR A 33 -1.049 -4.621 10.623 1.00 0.77 O ATOM 194 CG2 THR A 33 -0.985 -6.932 9.942 1.00 0.82 C ATOM 0 H THR A 33 -0.333 -3.895 8.261 1.00 0.48 H new ATOM 0 HA THR A 33 -2.383 -6.006 7.889 1.00 0.57 H new ATOM 0 HB THR A 33 -2.737 -5.791 10.366 1.00 0.72 H new ATOM 0 HG1 THR A 33 -0.154 -4.517 10.237 1.00 0.77 H new ATOM 0 HG21 THR A 33 -0.836 -7.236 10.978 1.00 0.82 H new ATOM 0 HG22 THR A 33 -1.543 -7.705 9.413 1.00 0.82 H new ATOM 0 HG23 THR A 33 -0.016 -6.792 9.463 1.00 0.82 H new ATOM 202 N LEU A 34 -4.127 -4.161 9.126 1.00 0.60 N ATOM 203 CA LEU A 34 -5.046 -3.047 9.295 1.00 0.64 C ATOM 204 C LEU A 34 -4.673 -2.283 10.551 1.00 0.58 C ATOM 205 O LEU A 34 -4.509 -1.052 10.540 1.00 0.59 O ATOM 206 CB LEU A 34 -6.488 -3.560 9.419 1.00 0.86 C ATOM 207 CG LEU A 34 -7.591 -2.501 9.422 1.00 1.02 C ATOM 208 CD1 LEU A 34 -7.595 -1.721 8.115 1.00 1.23 C ATOM 209 CD2 LEU A 34 -8.948 -3.150 9.656 1.00 1.46 C ATOM 0 H LEU A 34 -4.415 -5.026 9.582 1.00 0.60 H new ATOM 0 HA LEU A 34 -4.979 -2.393 8.426 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -6.678 -4.248 8.595 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -6.567 -4.137 10.340 1.00 0.86 H new ATOM 0 HG LEU A 34 -7.392 -1.803 10.235 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -8.388 -0.973 8.140 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -6.633 -1.226 7.984 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -7.767 -2.405 7.284 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -9.723 -2.383 9.655 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -9.149 -3.870 8.862 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -8.945 -3.662 10.618 1.00 1.46 H new ATOM 221 N GLU A 35 -4.473 -3.056 11.607 1.00 0.65 N ATOM 222 CA GLU A 35 -4.342 -2.554 12.965 1.00 0.77 C ATOM 223 C GLU A 35 -3.197 -1.562 13.114 1.00 0.73 C ATOM 224 O GLU A 35 -3.263 -0.630 13.916 1.00 0.88 O ATOM 225 CB GLU A 35 -4.144 -3.735 13.919 1.00 0.94 C ATOM 226 CG GLU A 35 -2.997 -4.654 13.537 1.00 1.41 C ATOM 227 CD GLU A 35 -2.699 -5.676 14.610 1.00 1.91 C ATOM 228 OE1 GLU A 35 -1.886 -5.383 15.510 1.00 2.34 O ATOM 229 OE2 GLU A 35 -3.266 -6.783 14.548 1.00 2.56 O ATOM 0 H GLU A 35 -4.396 -4.071 11.542 1.00 0.65 H new ATOM 0 HA GLU A 35 -5.257 -2.016 13.212 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -3.969 -3.351 14.924 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -5.065 -4.317 13.956 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -3.240 -5.167 12.607 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -2.104 -4.058 13.348 1.00 1.41 H new ATOM 236 N GLU A 36 -2.140 -1.789 12.335 1.00 0.63 N ATOM 237 CA GLU A 36 -0.916 -1.007 12.427 1.00 0.74 C ATOM 238 C GLU A 36 -1.022 0.277 11.626 1.00 0.67 C ATOM 239 O GLU A 36 -0.299 1.235 11.873 1.00 0.82 O ATOM 240 CB GLU A 36 0.262 -1.834 11.932 1.00 0.85 C ATOM 241 CG GLU A 36 0.325 -2.007 10.426 1.00 0.95 C ATOM 242 CD GLU A 36 1.538 -2.796 10.013 1.00 1.24 C ATOM 243 OE1 GLU A 36 2.661 -2.312 10.239 1.00 1.76 O ATOM 244 OE2 GLU A 36 1.363 -3.893 9.440 1.00 1.67 O ATOM 0 H GLU A 36 -2.112 -2.520 11.624 1.00 0.63 H new ATOM 0 HA GLU A 36 -0.760 -0.740 13.472 1.00 0.74 H new ATOM 0 HB2 GLU A 36 1.186 -1.364 12.269 1.00 0.85 H new ATOM 0 HB3 GLU A 36 0.218 -2.819 12.396 1.00 0.85 H new ATOM 0 HG2 GLU A 36 -0.576 -2.513 10.079 1.00 0.95 H new ATOM 0 HG3 GLU A 36 0.345 -1.028 9.947 1.00 0.95 H new ATOM 251 N ILE A 37 -1.922 0.262 10.643 1.00 0.52 N ATOM 252 CA ILE A 37 -2.202 1.426 9.815 1.00 0.50 C ATOM 253 C ILE A 37 -3.000 2.427 10.632 1.00 0.53 C ATOM 254 O ILE A 37 -2.911 3.633 10.423 1.00 0.72 O ATOM 255 CB ILE A 37 -3.004 1.041 8.552 1.00 0.49 C ATOM 256 CG1 ILE A 37 -2.355 -0.158 7.835 1.00 0.51 C ATOM 257 CG2 ILE A 37 -3.116 2.235 7.608 1.00 0.54 C ATOM 258 CD1 ILE A 37 -1.165 0.180 6.977 1.00 0.72 C ATOM 0 H ILE A 37 -2.476 -0.560 10.401 1.00 0.52 H new ATOM 0 HA ILE A 37 -1.255 1.859 9.494 1.00 0.50 H new ATOM 0 HB ILE A 37 -4.008 0.748 8.860 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -2.048 -0.887 8.585 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -3.108 -0.640 7.211 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -3.684 1.947 6.723 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -3.626 3.054 8.116 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -2.119 2.558 7.310 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -0.779 -0.729 6.516 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -1.465 0.883 6.199 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -0.388 0.631 7.594 1.00 0.72 H new ATOM 270 N GLN A 38 -3.780 1.890 11.573 1.00 0.48 N ATOM 271 CA GLN A 38 -4.501 2.691 12.563 1.00 0.52 C ATOM 272 C GLN A 38 -3.513 3.342 13.531 1.00 0.54 C ATOM 273 O GLN A 38 -3.815 4.333 14.190 1.00 0.64 O ATOM 274 CB GLN A 38 -5.476 1.799 13.342 1.00 0.56 C ATOM 275 CG GLN A 38 -6.663 1.314 12.519 1.00 0.78 C ATOM 276 CD GLN A 38 -7.712 2.391 12.332 1.00 0.72 C ATOM 277 OE1 GLN A 38 -8.641 2.511 13.131 1.00 1.11 O ATOM 278 NE2 GLN A 38 -7.584 3.184 11.284 1.00 0.74 N ATOM 0 H GLN A 38 -3.929 0.886 11.669 1.00 0.48 H new ATOM 0 HA GLN A 38 -5.060 3.472 12.047 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -4.935 0.934 13.725 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -5.847 2.351 14.206 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -6.313 0.978 11.543 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -7.114 0.452 13.010 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -6.802 3.058 10.641 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -8.267 3.923 11.117 1.00 0.74 H new ATOM 287 N LYS A 39 -2.336 2.734 13.613 1.00 0.54 N ATOM 288 CA LYS A 39 -1.257 3.180 14.491 1.00 0.62 C ATOM 289 C LYS A 39 -0.355 4.152 13.727 1.00 0.58 C ATOM 290 O LYS A 39 0.636 4.673 14.244 1.00 0.66 O ATOM 291 CB LYS A 39 -0.487 1.930 14.954 1.00 0.77 C ATOM 292 CG LYS A 39 0.574 2.174 16.015 1.00 1.28 C ATOM 293 CD LYS A 39 1.074 0.857 16.604 1.00 1.57 C ATOM 294 CE LYS A 39 1.591 -0.075 15.515 1.00 2.08 C ATOM 295 NZ LYS A 39 2.173 -1.318 16.075 1.00 2.52 N ATOM 0 H LYS A 39 -2.099 1.907 13.065 1.00 0.54 H new ATOM 0 HA LYS A 39 -1.641 3.707 15.365 1.00 0.62 H new ATOM 0 HB2 LYS A 39 -1.203 1.205 15.341 1.00 0.77 H new ATOM 0 HB3 LYS A 39 -0.010 1.475 14.086 1.00 0.77 H new ATOM 0 HG2 LYS A 39 1.410 2.722 15.579 1.00 1.28 H new ATOM 0 HG3 LYS A 39 0.163 2.798 16.808 1.00 1.28 H new ATOM 0 HD2 LYS A 39 1.869 1.056 17.323 1.00 1.57 H new ATOM 0 HD3 LYS A 39 0.266 0.370 17.149 1.00 1.57 H new ATOM 0 HE2 LYS A 39 0.775 -0.330 14.839 1.00 2.08 H new ATOM 0 HE3 LYS A 39 2.345 0.443 14.923 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 2.512 -1.923 15.300 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 2.969 -1.078 16.700 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 1.447 -1.827 16.619 1.00 2.52 H new ATOM 309 N HIS A 40 -0.715 4.375 12.476 1.00 0.53 N ATOM 310 CA HIS A 40 0.056 5.210 11.572 1.00 0.56 C ATOM 311 C HIS A 40 -0.856 6.238 10.907 1.00 0.65 C ATOM 312 O HIS A 40 -0.727 6.538 9.721 1.00 0.93 O ATOM 313 CB HIS A 40 0.713 4.323 10.517 1.00 0.56 C ATOM 314 CG HIS A 40 1.848 3.483 11.041 1.00 0.93 C ATOM 315 ND1 HIS A 40 2.033 2.153 10.716 1.00 1.08 N ATOM 316 CD2 HIS A 40 2.880 3.809 11.852 1.00 1.39 C ATOM 317 CE1 HIS A 40 3.132 1.705 11.299 1.00 1.59 C ATOM 318 NE2 HIS A 40 3.667 2.690 11.994 1.00 1.80 N ATOM 0 H HIS A 40 -1.556 3.979 12.056 1.00 0.53 H new ATOM 0 HA HIS A 40 0.827 5.743 12.129 1.00 0.56 H new ATOM 0 HB2 HIS A 40 -0.043 3.666 10.088 1.00 0.56 H new ATOM 0 HB3 HIS A 40 1.084 4.953 9.708 1.00 0.56 H new ATOM 0 HD1 HIS A 40 1.417 1.602 10.119 1.00 1.08 H new ATOM 0 HD2 HIS A 40 3.055 4.773 12.306 1.00 1.39 H new ATOM 0 HE1 HIS A 40 3.525 0.702 11.220 1.00 1.59 H new ATOM 327 N ASN A 41 -1.798 6.737 11.702 1.00 0.56 N ATOM 328 CA ASN A 41 -2.849 7.658 11.245 1.00 0.64 C ATOM 329 C ASN A 41 -2.595 9.076 11.776 1.00 0.82 C ATOM 330 O ASN A 41 -3.498 9.914 11.802 1.00 1.20 O ATOM 331 CB ASN A 41 -4.197 7.168 11.788 1.00 0.69 C ATOM 332 CG ASN A 41 -4.307 7.326 13.296 1.00 1.20 C ATOM 333 OD1 ASN A 41 -3.308 7.276 14.019 1.00 1.76 O ATOM 334 ND2 ASN A 41 -5.522 7.526 13.781 1.00 1.74 N ATOM 0 H ASN A 41 -1.859 6.514 12.695 1.00 0.56 H new ATOM 0 HA ASN A 41 -2.850 7.682 10.155 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -5.003 7.723 11.308 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -4.332 6.119 11.525 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -5.657 7.645 14.785 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -6.323 7.561 13.151 1.00 1.74 H new ATOM 341 N HIS A 42 -1.364 9.326 12.211 1.00 0.73 N ATOM 342 CA HIS A 42 -1.058 10.514 13.015 1.00 0.97 C ATOM 343 C HIS A 42 0.175 11.262 12.502 1.00 1.06 C ATOM 344 O HIS A 42 0.817 10.818 11.563 1.00 1.54 O ATOM 345 CB HIS A 42 -0.820 10.107 14.475 1.00 1.05 C ATOM 346 CG HIS A 42 0.263 9.072 14.660 1.00 0.90 C ATOM 347 ND1 HIS A 42 1.371 8.976 13.836 1.00 0.81 N ATOM 348 CD2 HIS A 42 0.412 8.094 15.585 1.00 1.14 C ATOM 349 CE1 HIS A 42 2.148 7.998 14.246 1.00 0.87 C ATOM 350 NE2 HIS A 42 1.593 7.444 15.304 1.00 1.08 N ATOM 0 H HIS A 42 -0.561 8.726 12.023 1.00 0.73 H new ATOM 0 HA HIS A 42 -1.915 11.183 12.937 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -0.560 10.996 15.050 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -1.751 9.720 14.889 1.00 1.05 H new ATOM 0 HD2 HIS A 42 -0.268 7.866 16.392 1.00 1.14 H new ATOM 0 HE1 HIS A 42 3.082 7.700 13.793 1.00 0.87 H new ATOM 0 HE2 HIS A 42 1.976 6.659 15.831 1.00 1.08 H new ATOM 359 N SER A 43 0.528 12.345 13.203 1.00 1.01 N ATOM 360 CA SER A 43 1.647 13.231 12.847 1.00 1.12 C ATOM 361 C SER A 43 2.838 12.486 12.216 1.00 0.97 C ATOM 362 O SER A 43 3.121 12.645 11.029 1.00 1.05 O ATOM 363 CB SER A 43 2.102 13.987 14.104 1.00 1.34 C ATOM 364 OG SER A 43 3.204 14.834 13.839 1.00 2.00 O ATOM 0 H SER A 43 0.037 12.637 14.048 1.00 1.01 H new ATOM 0 HA SER A 43 1.286 13.924 12.087 1.00 1.12 H new ATOM 0 HB2 SER A 43 1.273 14.580 14.491 1.00 1.34 H new ATOM 0 HB3 SER A 43 2.372 13.271 14.880 1.00 1.34 H new ATOM 0 HG SER A 43 3.464 15.299 14.661 1.00 2.00 H new ATOM 370 N LYS A 44 3.510 11.664 13.036 1.00 0.89 N ATOM 371 CA LYS A 44 4.817 11.077 12.698 1.00 0.89 C ATOM 372 C LYS A 44 4.775 10.237 11.429 1.00 0.77 C ATOM 373 O LYS A 44 5.815 9.964 10.831 1.00 0.94 O ATOM 374 CB LYS A 44 5.318 10.195 13.849 1.00 1.01 C ATOM 375 CG LYS A 44 6.828 10.282 14.056 1.00 1.53 C ATOM 376 CD LYS A 44 7.328 9.261 15.072 1.00 2.16 C ATOM 377 CE LYS A 44 7.298 7.843 14.516 1.00 2.63 C ATOM 378 NZ LYS A 44 8.186 7.693 13.331 1.00 3.26 N ATOM 0 H LYS A 44 3.162 11.387 13.954 1.00 0.89 H new ATOM 0 HA LYS A 44 5.494 11.914 12.530 1.00 0.89 H new ATOM 0 HB2 LYS A 44 4.814 10.488 14.770 1.00 1.01 H new ATOM 0 HB3 LYS A 44 5.043 9.159 13.651 1.00 1.01 H new ATOM 0 HG2 LYS A 44 7.334 10.122 13.104 1.00 1.53 H new ATOM 0 HG3 LYS A 44 7.090 11.285 14.392 1.00 1.53 H new ATOM 0 HD2 LYS A 44 8.346 9.513 15.369 1.00 2.16 H new ATOM 0 HD3 LYS A 44 6.713 9.312 15.970 1.00 2.16 H new ATOM 0 HE2 LYS A 44 7.606 7.142 15.292 1.00 2.63 H new ATOM 0 HE3 LYS A 44 6.276 7.583 14.239 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 8.394 6.685 13.178 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 7.712 8.080 12.490 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 9.074 8.208 13.495 1.00 3.26 H new ATOM 392 N SER A 45 3.584 9.808 11.044 1.00 0.63 N ATOM 393 CA SER A 45 3.406 8.952 9.884 1.00 0.62 C ATOM 394 C SER A 45 1.974 9.056 9.395 1.00 0.65 C ATOM 395 O SER A 45 1.063 8.592 10.076 1.00 1.05 O ATOM 396 CB SER A 45 3.720 7.486 10.217 1.00 0.65 C ATOM 397 OG SER A 45 4.999 7.348 10.807 1.00 1.31 O ATOM 0 H SER A 45 2.716 10.043 11.526 1.00 0.63 H new ATOM 0 HA SER A 45 4.096 9.284 9.109 1.00 0.62 H new ATOM 0 HB2 SER A 45 2.962 7.096 10.896 1.00 0.65 H new ATOM 0 HB3 SER A 45 3.672 6.887 9.307 1.00 0.65 H new ATOM 0 HG SER A 45 5.166 6.404 11.008 1.00 1.31 H new ATOM 403 N THR A 46 1.768 9.657 8.242 1.00 0.43 N ATOM 404 CA THR A 46 0.425 9.773 7.703 1.00 0.42 C ATOM 405 C THR A 46 0.187 8.709 6.639 1.00 0.39 C ATOM 406 O THR A 46 0.658 8.831 5.508 1.00 0.47 O ATOM 407 CB THR A 46 0.176 11.169 7.105 1.00 0.51 C ATOM 408 OG1 THR A 46 0.477 12.165 8.087 1.00 0.77 O ATOM 409 CG2 THR A 46 -1.272 11.324 6.646 1.00 0.64 C ATOM 0 H THR A 46 2.501 10.069 7.665 1.00 0.43 H new ATOM 0 HA THR A 46 -0.274 9.625 8.527 1.00 0.42 H new ATOM 0 HB THR A 46 0.823 11.292 6.236 1.00 0.51 H new ATOM 0 HG1 THR A 46 0.321 13.055 7.708 1.00 0.77 H new ATOM 0 HG21 THR A 46 -1.417 12.320 6.228 1.00 0.64 H new ATOM 0 HG22 THR A 46 -1.495 10.576 5.885 1.00 0.64 H new ATOM 0 HG23 THR A 46 -1.940 11.187 7.496 1.00 0.64 H new ATOM 417 N TRP A 47 -0.510 7.648 7.016 1.00 0.37 N ATOM 418 CA TRP A 47 -0.849 6.599 6.071 1.00 0.36 C ATOM 419 C TRP A 47 -2.328 6.631 5.711 1.00 0.37 C ATOM 420 O TRP A 47 -3.114 7.356 6.321 1.00 0.50 O ATOM 421 CB TRP A 47 -0.501 5.219 6.630 1.00 0.37 C ATOM 422 CG TRP A 47 0.953 4.885 6.593 1.00 0.36 C ATOM 423 CD1 TRP A 47 1.979 5.685 6.191 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.538 3.638 6.966 1.00 0.37 C ATOM 425 NE1 TRP A 47 3.166 5.002 6.273 1.00 0.40 N ATOM 426 CE2 TRP A 47 2.921 3.741 6.752 1.00 0.40 C ATOM 427 CE3 TRP A 47 1.016 2.439 7.450 1.00 0.40 C ATOM 428 CZ2 TRP A 47 3.791 2.685 7.017 1.00 0.45 C ATOM 429 CZ3 TRP A 47 1.875 1.397 7.714 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.247 1.522 7.495 1.00 0.47 C ATOM 0 H TRP A 47 -0.850 7.492 7.965 1.00 0.37 H new ATOM 0 HA TRP A 47 -0.261 6.782 5.172 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -0.848 5.161 7.662 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -1.049 4.464 6.066 1.00 0.37 H new ATOM 0 HD1 TRP A 47 1.874 6.707 5.857 1.00 0.38 H new ATOM 0 HE1 TRP A 47 4.082 5.372 6.019 1.00 0.40 H new ATOM 0 HE3 TRP A 47 -0.046 2.330 7.615 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 4.854 2.780 6.852 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 1.481 0.467 8.097 1.00 0.45 H new ATOM 0 HH2 TRP A 47 3.894 0.684 7.707 1.00 0.47 H new ATOM 441 N LEU A 48 -2.688 5.831 4.718 1.00 0.31 N ATOM 442 CA LEU A 48 -4.077 5.608 4.347 1.00 0.31 C ATOM 443 C LEU A 48 -4.169 4.338 3.520 1.00 0.28 C ATOM 444 O LEU A 48 -3.150 3.749 3.167 1.00 0.29 O ATOM 445 CB LEU A 48 -4.679 6.780 3.549 1.00 0.37 C ATOM 446 CG LEU A 48 -3.979 7.101 2.221 1.00 0.45 C ATOM 447 CD1 LEU A 48 -4.976 7.659 1.220 1.00 0.60 C ATOM 448 CD2 LEU A 48 -2.849 8.097 2.441 1.00 0.55 C ATOM 0 H LEU A 48 -2.021 5.316 4.144 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.652 5.519 5.269 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -5.726 6.558 3.344 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.659 7.672 4.175 1.00 0.37 H new ATOM 0 HG LEU A 48 -3.559 6.178 1.823 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -4.465 7.882 0.283 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -5.760 6.924 1.040 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -5.419 8.572 1.618 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -2.364 8.313 1.489 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -3.253 9.019 2.860 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -2.120 7.673 3.132 1.00 0.55 H new ATOM 460 N ILE A 49 -5.381 3.929 3.218 1.00 0.34 N ATOM 461 CA ILE A 49 -5.622 2.770 2.380 1.00 0.36 C ATOM 462 C ILE A 49 -6.577 3.174 1.270 1.00 0.42 C ATOM 463 O ILE A 49 -7.415 4.048 1.465 1.00 0.65 O ATOM 464 CB ILE A 49 -6.223 1.599 3.192 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.354 1.329 4.425 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.330 0.347 2.328 1.00 0.49 C ATOM 467 CD1 ILE A 49 -5.921 0.293 5.371 1.00 0.46 C ATOM 0 H ILE A 49 -6.230 4.390 3.546 1.00 0.34 H new ATOM 0 HA ILE A 49 -4.674 2.427 1.966 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.227 1.871 3.517 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.368 1.002 4.096 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -5.215 2.263 4.969 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -6.755 -0.466 2.917 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -6.973 0.550 1.472 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -5.338 0.061 1.977 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -5.244 0.163 6.216 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -6.894 0.625 5.733 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -6.034 -0.656 4.846 1.00 0.46 H new ATOM 479 N LEU A 50 -6.423 2.587 0.102 1.00 0.41 N ATOM 480 CA LEU A 50 -7.336 2.859 -0.994 1.00 0.53 C ATOM 481 C LEU A 50 -7.919 1.577 -1.567 1.00 0.78 C ATOM 482 O LEU A 50 -8.904 1.053 -1.067 1.00 1.77 O ATOM 483 CB LEU A 50 -6.654 3.684 -2.087 1.00 0.49 C ATOM 484 CG LEU A 50 -6.630 5.201 -1.859 1.00 0.49 C ATOM 485 CD1 LEU A 50 -5.965 5.880 -3.043 1.00 0.93 C ATOM 486 CD2 LEU A 50 -8.039 5.743 -1.651 1.00 0.99 C ATOM 0 H LEU A 50 -5.680 1.922 -0.115 1.00 0.41 H new ATOM 0 HA LEU A 50 -8.162 3.446 -0.592 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -5.627 3.335 -2.192 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -7.157 3.485 -3.033 1.00 0.49 H new ATOM 0 HG LEU A 50 -6.057 5.413 -0.956 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -5.948 6.958 -2.882 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -4.944 5.512 -3.147 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -6.525 5.658 -3.951 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -7.995 6.820 -1.491 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -8.644 5.531 -2.533 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -8.488 5.265 -0.780 1.00 0.99 H new ATOM 498 N HIS A 51 -7.308 1.059 -2.609 1.00 0.67 N ATOM 499 CA HIS A 51 -7.839 -0.129 -3.269 1.00 0.73 C ATOM 500 C HIS A 51 -7.074 -1.373 -2.835 1.00 0.82 C ATOM 501 O HIS A 51 -6.332 -1.954 -3.627 1.00 1.80 O ATOM 502 CB HIS A 51 -7.824 0.037 -4.800 1.00 0.79 C ATOM 503 CG HIS A 51 -8.876 0.986 -5.305 1.00 1.23 C ATOM 504 ND1 HIS A 51 -9.266 1.065 -6.628 1.00 1.87 N ATOM 505 CD2 HIS A 51 -9.652 1.874 -4.641 1.00 1.56 C ATOM 506 CE1 HIS A 51 -10.237 1.953 -6.747 1.00 2.45 C ATOM 507 NE2 HIS A 51 -10.490 2.461 -5.555 1.00 2.30 N ATOM 0 H HIS A 51 -6.452 1.431 -3.020 1.00 0.67 H new ATOM 0 HA HIS A 51 -8.878 -0.254 -2.964 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -6.842 0.395 -5.110 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -7.970 -0.938 -5.266 1.00 0.79 H new ATOM 0 HD2 HIS A 51 -9.618 2.083 -3.582 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -10.739 2.219 -7.665 1.00 2.45 H new ATOM 0 HE2 HIS A 51 -11.192 3.172 -5.348 1.00 2.30 H new ATOM 516 N HIS A 52 -7.251 -1.758 -1.564 1.00 0.46 N ATOM 517 CA HIS A 52 -6.563 -2.925 -0.974 1.00 0.42 C ATOM 518 C HIS A 52 -5.086 -2.623 -0.727 1.00 0.43 C ATOM 519 O HIS A 52 -4.300 -3.524 -0.432 1.00 0.81 O ATOM 520 CB HIS A 52 -6.671 -4.165 -1.878 1.00 0.58 C ATOM 521 CG HIS A 52 -8.034 -4.771 -1.935 1.00 1.12 C ATOM 522 ND1 HIS A 52 -8.282 -6.008 -2.488 1.00 1.75 N ATOM 523 CD2 HIS A 52 -9.231 -4.300 -1.522 1.00 1.81 C ATOM 524 CE1 HIS A 52 -9.569 -6.267 -2.410 1.00 2.34 C ATOM 525 NE2 HIS A 52 -10.164 -5.249 -1.828 1.00 2.36 N ATOM 0 H HIS A 52 -7.871 -1.275 -0.914 1.00 0.46 H new ATOM 0 HA HIS A 52 -7.058 -3.133 -0.026 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -6.366 -3.891 -2.888 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -5.966 -4.918 -1.526 1.00 0.58 H new ATOM 0 HD2 HIS A 52 -9.415 -3.351 -1.040 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -10.055 -7.164 -2.764 1.00 2.34 H new ATOM 0 HE2 HIS A 52 -11.163 -5.179 -1.636 1.00 2.36 H new ATOM 534 N LYS A 53 -4.711 -1.356 -0.858 1.00 0.33 N ATOM 535 CA LYS A 53 -3.305 -0.974 -0.802 1.00 0.36 C ATOM 536 C LYS A 53 -3.104 0.218 0.129 1.00 0.29 C ATOM 537 O LYS A 53 -3.907 1.156 0.121 1.00 0.32 O ATOM 538 CB LYS A 53 -2.795 -0.653 -2.218 1.00 0.45 C ATOM 539 CG LYS A 53 -3.048 -1.777 -3.214 1.00 0.66 C ATOM 540 CD LYS A 53 -3.027 -1.295 -4.658 1.00 0.95 C ATOM 541 CE LYS A 53 -1.649 -1.430 -5.276 1.00 1.25 C ATOM 542 NZ LYS A 53 -1.163 -2.834 -5.213 1.00 1.76 N ATOM 0 H LYS A 53 -5.357 -0.580 -1.003 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.730 -1.809 -0.402 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -3.279 0.256 -2.575 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -1.725 -0.448 -2.175 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -2.292 -2.551 -3.082 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -4.014 -2.235 -3.002 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -3.746 -1.869 -5.243 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -3.343 -0.253 -4.698 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -1.680 -1.100 -6.314 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -0.949 -0.777 -4.755 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -0.751 -3.100 -6.130 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 -0.439 -2.918 -4.471 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -1.958 -3.467 -4.994 1.00 1.76 H new ATOM 556 N VAL A 54 -2.050 0.177 0.922 1.00 0.27 N ATOM 557 CA VAL A 54 -1.735 1.256 1.844 1.00 0.25 C ATOM 558 C VAL A 54 -0.841 2.299 1.160 1.00 0.23 C ATOM 559 O VAL A 54 -0.020 1.960 0.302 1.00 0.25 O ATOM 560 CB VAL A 54 -1.036 0.711 3.109 1.00 0.28 C ATOM 561 CG1 VAL A 54 0.236 -0.043 2.754 1.00 0.30 C ATOM 562 CG2 VAL A 54 -0.737 1.836 4.082 1.00 0.32 C ATOM 0 H VAL A 54 -1.390 -0.600 0.947 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.670 1.730 2.142 1.00 0.25 H new ATOM 0 HB VAL A 54 -1.717 0.009 3.591 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.705 -0.414 3.665 1.00 0.30 H new ATOM 0 HG12 VAL A 54 -0.008 -0.883 2.103 1.00 0.30 H new ATOM 0 HG13 VAL A 54 0.924 0.627 2.239 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.245 1.431 4.966 1.00 0.32 H new ATOM 0 HG22 VAL A 54 -0.083 2.566 3.605 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -1.668 2.321 4.375 1.00 0.32 H new ATOM 572 N TYR A 55 -1.016 3.564 1.517 1.00 0.23 N ATOM 573 CA TYR A 55 -0.204 4.635 0.961 1.00 0.25 C ATOM 574 C TYR A 55 0.487 5.414 2.075 1.00 0.27 C ATOM 575 O TYR A 55 0.008 5.429 3.210 1.00 0.35 O ATOM 576 CB TYR A 55 -1.047 5.608 0.123 1.00 0.27 C ATOM 577 CG TYR A 55 -1.709 5.009 -1.108 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.621 3.960 -1.010 1.00 0.74 C ATOM 579 CD2 TYR A 55 -1.436 5.515 -2.374 1.00 0.83 C ATOM 580 CE1 TYR A 55 -3.232 3.435 -2.131 1.00 0.77 C ATOM 581 CE2 TYR A 55 -2.056 4.998 -3.502 1.00 0.85 C ATOM 582 CZ TYR A 55 -2.950 3.957 -3.372 1.00 0.42 C ATOM 583 OH TYR A 55 -3.577 3.435 -4.486 1.00 0.49 O ATOM 0 H TYR A 55 -1.716 3.873 2.192 1.00 0.23 H new ATOM 0 HA TYR A 55 0.541 4.170 0.315 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.823 6.032 0.761 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.409 6.433 -0.194 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -2.854 3.550 -0.039 1.00 0.74 H new ATOM 0 HD2 TYR A 55 -0.729 6.324 -2.481 1.00 0.83 H new ATOM 0 HE1 TYR A 55 -3.930 2.616 -2.034 1.00 0.77 H new ATOM 0 HE2 TYR A 55 -1.839 5.409 -4.477 1.00 0.85 H new ATOM 0 HH TYR A 55 -3.272 3.912 -5.286 1.00 0.49 H new ATOM 593 N ASP A 56 1.591 6.066 1.740 1.00 0.34 N ATOM 594 CA ASP A 56 2.278 6.956 2.673 1.00 0.38 C ATOM 595 C ASP A 56 2.307 8.351 2.064 1.00 0.38 C ATOM 596 O ASP A 56 2.405 8.485 0.844 1.00 0.48 O ATOM 597 CB ASP A 56 3.716 6.471 2.951 1.00 0.47 C ATOM 598 CG ASP A 56 4.403 7.176 4.118 1.00 0.63 C ATOM 599 OD1 ASP A 56 4.279 8.417 4.215 1.00 0.94 O ATOM 600 OD2 ASP A 56 5.053 6.509 4.948 1.00 1.32 O ATOM 0 H ASP A 56 2.035 5.996 0.824 1.00 0.34 H new ATOM 0 HA ASP A 56 1.745 6.964 3.624 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.693 5.400 3.152 1.00 0.47 H new ATOM 0 HB3 ASP A 56 4.315 6.614 2.052 1.00 0.47 H new ATOM 605 N LEU A 57 2.202 9.389 2.874 1.00 0.37 N ATOM 606 CA LEU A 57 2.352 10.738 2.346 1.00 0.39 C ATOM 607 C LEU A 57 3.523 11.458 2.984 1.00 0.51 C ATOM 608 O LEU A 57 4.253 12.108 2.273 1.00 1.12 O ATOM 609 CB LEU A 57 1.101 11.593 2.551 1.00 0.45 C ATOM 610 CG LEU A 57 -0.206 11.009 2.022 1.00 0.53 C ATOM 611 CD1 LEU A 57 -1.381 11.866 2.467 1.00 1.35 C ATOM 612 CD2 LEU A 57 -0.172 10.908 0.503 1.00 1.27 C ATOM 0 H LEU A 57 2.018 9.331 3.876 1.00 0.37 H new ATOM 0 HA LEU A 57 2.525 10.612 1.277 1.00 0.39 H new ATOM 0 HB2 LEU A 57 0.985 11.781 3.618 1.00 0.45 H new ATOM 0 HB3 LEU A 57 1.264 12.559 2.073 1.00 0.45 H new ATOM 0 HG LEU A 57 -0.327 10.006 2.431 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -2.308 11.440 2.084 1.00 1.35 H new ATOM 0 HD12 LEU A 57 -1.418 11.895 3.556 1.00 1.35 H new ATOM 0 HD13 LEU A 57 -1.260 12.878 2.081 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -1.113 10.489 0.145 1.00 1.27 H new ATOM 0 HD22 LEU A 57 -0.030 11.901 0.075 1.00 1.27 H new ATOM 0 HD23 LEU A 57 0.652 10.262 0.200 1.00 1.27 H new ATOM 624 N THR A 58 3.752 11.137 4.273 1.00 0.54 N ATOM 625 CA THR A 58 4.431 11.956 5.332 1.00 0.56 C ATOM 626 C THR A 58 5.477 13.064 4.934 1.00 0.66 C ATOM 627 O THR A 58 6.018 13.729 5.815 1.00 1.15 O ATOM 628 CB THR A 58 5.062 10.995 6.362 1.00 0.65 C ATOM 629 OG1 THR A 58 4.232 9.824 6.487 1.00 1.43 O ATOM 630 CG2 THR A 58 5.180 11.664 7.728 1.00 1.12 C ATOM 0 H THR A 58 3.450 10.235 4.642 1.00 0.54 H new ATOM 0 HA THR A 58 3.614 12.568 5.715 1.00 0.56 H new ATOM 0 HB THR A 58 6.059 10.722 6.016 1.00 0.65 H new ATOM 0 HG1 THR A 58 4.511 9.154 5.829 1.00 1.43 H new ATOM 0 HG21 THR A 58 5.627 10.967 8.437 1.00 1.12 H new ATOM 0 HG22 THR A 58 5.808 12.551 7.646 1.00 1.12 H new ATOM 0 HG23 THR A 58 4.189 11.952 8.079 1.00 1.12 H new ATOM 638 N LYS A 59 5.781 13.255 3.668 1.00 0.57 N ATOM 639 CA LYS A 59 6.444 14.474 3.201 1.00 0.58 C ATOM 640 C LYS A 59 5.463 15.293 2.354 1.00 0.48 C ATOM 641 O LYS A 59 5.497 16.522 2.315 1.00 0.54 O ATOM 642 CB LYS A 59 7.685 14.146 2.372 1.00 0.69 C ATOM 643 CG LYS A 59 8.916 13.837 3.204 1.00 1.37 C ATOM 644 CD LYS A 59 10.170 13.981 2.364 1.00 1.96 C ATOM 645 CE LYS A 59 11.434 13.930 3.211 1.00 2.58 C ATOM 646 NZ LYS A 59 12.638 14.314 2.424 1.00 3.59 N ATOM 0 H LYS A 59 5.581 12.580 2.930 1.00 0.57 H new ATOM 0 HA LYS A 59 6.759 15.050 4.072 1.00 0.58 H new ATOM 0 HB2 LYS A 59 7.467 13.291 1.732 1.00 0.69 H new ATOM 0 HB3 LYS A 59 7.904 14.988 1.715 1.00 0.69 H new ATOM 0 HG2 LYS A 59 8.964 14.511 4.059 1.00 1.37 H new ATOM 0 HG3 LYS A 59 8.850 12.824 3.600 1.00 1.37 H new ATOM 0 HD2 LYS A 59 10.201 13.186 1.619 1.00 1.96 H new ATOM 0 HD3 LYS A 59 10.136 14.925 1.821 1.00 1.96 H new ATOM 0 HE2 LYS A 59 11.328 14.600 4.064 1.00 2.58 H new ATOM 0 HE3 LYS A 59 11.565 12.924 3.610 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 13.480 14.268 3.033 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 12.753 13.660 1.624 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 12.523 15.283 2.065 1.00 3.59 H new ATOM 660 N PHE A 60 4.587 14.546 1.679 1.00 0.40 N ATOM 661 CA PHE A 60 3.675 15.048 0.650 1.00 0.35 C ATOM 662 C PHE A 60 2.644 16.005 1.222 1.00 0.36 C ATOM 663 O PHE A 60 2.015 16.769 0.479 1.00 0.40 O ATOM 664 CB PHE A 60 2.963 13.850 -0.011 1.00 0.37 C ATOM 665 CG PHE A 60 2.212 14.180 -1.270 1.00 0.76 C ATOM 666 CD1 PHE A 60 2.855 14.787 -2.338 1.00 1.40 C ATOM 667 CD2 PHE A 60 0.865 13.877 -1.391 1.00 1.62 C ATOM 668 CE1 PHE A 60 2.170 15.087 -3.501 1.00 1.72 C ATOM 669 CE2 PHE A 60 0.175 14.175 -2.554 1.00 2.01 C ATOM 670 CZ PHE A 60 0.827 14.781 -3.609 1.00 1.72 C ATOM 0 H PHE A 60 4.490 13.543 1.839 1.00 0.40 H new ATOM 0 HA PHE A 60 4.260 15.601 -0.085 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.705 13.084 -0.237 1.00 0.37 H new ATOM 0 HB3 PHE A 60 2.267 13.417 0.708 1.00 0.37 H new ATOM 0 HD1 PHE A 60 3.905 15.029 -2.260 1.00 1.40 H new ATOM 0 HD2 PHE A 60 0.348 13.403 -0.569 1.00 1.62 H new ATOM 0 HE1 PHE A 60 2.684 15.560 -4.324 1.00 1.72 H new ATOM 0 HE2 PHE A 60 -0.874 13.933 -2.636 1.00 2.01 H new ATOM 0 HZ PHE A 60 0.289 15.015 -4.516 1.00 1.72 H new ATOM 680 N LEU A 61 2.511 15.954 2.542 1.00 0.38 N ATOM 681 CA LEU A 61 1.470 16.660 3.292 1.00 0.44 C ATOM 682 C LEU A 61 1.370 18.137 2.927 1.00 0.47 C ATOM 683 O LEU A 61 0.317 18.757 3.081 1.00 0.60 O ATOM 684 CB LEU A 61 1.760 16.532 4.793 1.00 0.50 C ATOM 685 CG LEU A 61 1.835 15.097 5.333 1.00 0.56 C ATOM 686 CD1 LEU A 61 2.247 15.101 6.797 1.00 0.72 C ATOM 687 CD2 LEU A 61 0.497 14.393 5.164 1.00 0.61 C ATOM 0 H LEU A 61 3.136 15.410 3.137 1.00 0.38 H new ATOM 0 HA LEU A 61 0.517 16.199 3.033 1.00 0.44 H new ATOM 0 HB2 LEU A 61 2.705 17.031 5.006 1.00 0.50 H new ATOM 0 HB3 LEU A 61 0.985 17.068 5.342 1.00 0.50 H new ATOM 0 HG LEU A 61 2.587 14.554 4.761 1.00 0.56 H new ATOM 0 HD11 LEU A 61 2.295 14.076 7.164 1.00 0.72 H new ATOM 0 HD12 LEU A 61 3.226 15.569 6.898 1.00 0.72 H new ATOM 0 HD13 LEU A 61 1.515 15.661 7.379 1.00 0.72 H new ATOM 0 HD21 LEU A 61 0.569 13.377 5.552 1.00 0.61 H new ATOM 0 HD22 LEU A 61 -0.272 14.937 5.712 1.00 0.61 H new ATOM 0 HD23 LEU A 61 0.234 14.360 4.107 1.00 0.61 H new ATOM 699 N GLU A 62 2.485 18.697 2.475 1.00 0.46 N ATOM 700 CA GLU A 62 2.601 20.129 2.247 1.00 0.55 C ATOM 701 C GLU A 62 2.306 20.500 0.795 1.00 0.53 C ATOM 702 O GLU A 62 2.072 21.666 0.478 1.00 0.72 O ATOM 703 CB GLU A 62 4.016 20.564 2.624 1.00 0.68 C ATOM 704 CG GLU A 62 4.458 20.017 3.975 1.00 0.99 C ATOM 705 CD GLU A 62 5.806 20.540 4.429 1.00 1.22 C ATOM 706 OE1 GLU A 62 6.836 20.098 3.875 1.00 1.62 O ATOM 707 OE2 GLU A 62 5.844 21.415 5.319 1.00 1.60 O ATOM 0 H GLU A 62 3.332 18.171 2.257 1.00 0.46 H new ATOM 0 HA GLU A 62 1.864 20.644 2.864 1.00 0.55 H new ATOM 0 HB2 GLU A 62 4.712 20.228 1.855 1.00 0.68 H new ATOM 0 HB3 GLU A 62 4.064 21.653 2.644 1.00 0.68 H new ATOM 0 HG2 GLU A 62 3.708 20.271 4.724 1.00 0.99 H new ATOM 0 HG3 GLU A 62 4.499 18.929 3.922 1.00 0.99 H new ATOM 714 N GLU A 63 2.334 19.498 -0.079 1.00 0.42 N ATOM 715 CA GLU A 63 2.227 19.721 -1.524 1.00 0.48 C ATOM 716 C GLU A 63 0.842 19.372 -2.064 1.00 0.46 C ATOM 717 O GLU A 63 0.463 19.828 -3.143 1.00 0.66 O ATOM 718 CB GLU A 63 3.278 18.892 -2.268 1.00 0.59 C ATOM 719 CG GLU A 63 4.669 19.500 -2.257 1.00 1.05 C ATOM 720 CD GLU A 63 5.564 18.899 -3.322 1.00 1.31 C ATOM 721 OE1 GLU A 63 5.236 19.017 -4.518 1.00 2.03 O ATOM 722 OE2 GLU A 63 6.607 18.311 -2.960 1.00 1.83 O ATOM 0 H GLU A 63 2.430 18.518 0.187 1.00 0.42 H new ATOM 0 HA GLU A 63 2.397 20.784 -1.693 1.00 0.48 H new ATOM 0 HB2 GLU A 63 3.324 17.899 -1.822 1.00 0.59 H new ATOM 0 HB3 GLU A 63 2.958 18.763 -3.302 1.00 0.59 H new ATOM 0 HG2 GLU A 63 4.595 20.576 -2.412 1.00 1.05 H new ATOM 0 HG3 GLU A 63 5.122 19.350 -1.277 1.00 1.05 H new ATOM 729 N HIS A 64 0.114 18.527 -1.331 1.00 0.33 N ATOM 730 CA HIS A 64 -1.235 18.124 -1.721 1.00 0.32 C ATOM 731 C HIS A 64 -2.224 19.256 -1.442 1.00 0.42 C ATOM 732 O HIS A 64 -2.139 19.898 -0.395 1.00 0.52 O ATOM 733 CB HIS A 64 -1.639 16.851 -0.962 1.00 0.38 C ATOM 734 CG HIS A 64 -2.991 16.209 -1.283 1.00 0.36 C ATOM 735 ND1 HIS A 64 -4.121 16.329 -0.489 1.00 0.44 N ATOM 736 CD2 HIS A 64 -3.327 15.396 -2.348 1.00 0.34 C ATOM 737 CE1 HIS A 64 -5.112 15.606 -1.056 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.663 15.035 -2.175 1.00 0.36 N ATOM 0 H HIS A 64 0.440 18.108 -0.460 1.00 0.33 H new ATOM 0 HA HIS A 64 -1.250 17.911 -2.790 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -0.866 16.102 -1.136 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -1.626 17.082 0.103 1.00 0.38 H new ATOM 0 HD1 HIS A 64 -4.192 16.869 0.373 1.00 0.44 H new ATOM 0 HD2 HIS A 64 -2.679 15.097 -3.159 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -6.113 15.506 -0.664 1.00 0.43 H new ATOM 746 N PRO A 65 -3.157 19.521 -2.393 1.00 0.51 N ATOM 747 CA PRO A 65 -4.190 20.568 -2.274 1.00 0.73 C ATOM 748 C PRO A 65 -4.745 20.716 -0.856 1.00 0.90 C ATOM 749 O PRO A 65 -4.901 21.829 -0.346 1.00 1.46 O ATOM 750 CB PRO A 65 -5.276 20.057 -3.217 1.00 0.96 C ATOM 751 CG PRO A 65 -4.538 19.340 -4.295 1.00 0.81 C ATOM 752 CD PRO A 65 -3.260 18.817 -3.683 1.00 0.55 C ATOM 0 HA PRO A 65 -3.799 21.557 -2.512 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -5.967 19.391 -2.700 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -5.867 20.879 -3.621 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -5.137 18.522 -4.694 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -4.321 20.011 -5.126 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -3.299 17.737 -3.544 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -2.400 19.026 -4.319 1.00 0.55 H new ATOM 760 N GLY A 66 -5.033 19.585 -0.223 1.00 1.08 N ATOM 761 CA GLY A 66 -5.486 19.606 1.142 1.00 1.38 C ATOM 762 C GLY A 66 -4.325 19.469 2.102 1.00 1.38 C ATOM 763 O GLY A 66 -3.484 18.585 1.940 1.00 2.03 O ATOM 0 H GLY A 66 -4.959 18.656 -0.637 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -6.016 20.538 1.338 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -6.195 18.795 1.306 1.00 1.38 H new ATOM 767 N GLY A 67 -4.264 20.359 3.082 1.00 1.25 N ATOM 768 CA GLY A 67 -3.190 20.331 4.046 1.00 1.70 C ATOM 769 C GLY A 67 -3.248 19.115 4.943 1.00 1.24 C ATOM 770 O GLY A 67 -4.290 18.467 5.043 1.00 1.66 O ATOM 0 H GLY A 67 -4.946 21.104 3.225 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -2.235 20.346 3.521 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -3.232 21.232 4.658 1.00 1.70 H new ATOM 774 N GLU A 68 -2.120 18.830 5.597 1.00 1.38 N ATOM 775 CA GLU A 68 -1.972 17.671 6.496 1.00 1.18 C ATOM 776 C GLU A 68 -3.247 17.338 7.274 1.00 0.94 C ATOM 777 O GLU A 68 -3.686 16.185 7.319 1.00 0.98 O ATOM 778 CB GLU A 68 -0.821 17.916 7.477 1.00 1.50 C ATOM 779 CG GLU A 68 -0.696 19.367 7.908 1.00 1.48 C ATOM 780 CD GLU A 68 0.282 19.582 9.045 1.00 2.09 C ATOM 781 OE1 GLU A 68 -0.074 19.290 10.204 1.00 2.25 O ATOM 782 OE2 GLU A 68 1.418 20.026 8.780 1.00 2.88 O ATOM 0 H GLU A 68 -1.275 19.397 5.521 1.00 1.38 H new ATOM 0 HA GLU A 68 -1.757 16.812 5.860 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -0.967 17.294 8.360 1.00 1.50 H new ATOM 0 HB3 GLU A 68 0.114 17.600 7.015 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -0.382 19.965 7.053 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -1.677 19.733 8.210 1.00 1.48 H new ATOM 789 N GLU A 69 -3.816 18.379 7.887 1.00 0.91 N ATOM 790 CA GLU A 69 -4.947 18.259 8.790 1.00 0.84 C ATOM 791 C GLU A 69 -6.111 17.509 8.172 1.00 0.75 C ATOM 792 O GLU A 69 -6.775 16.735 8.852 1.00 0.78 O ATOM 793 CB GLU A 69 -5.434 19.646 9.191 1.00 0.97 C ATOM 794 CG GLU A 69 -4.379 20.489 9.894 1.00 1.64 C ATOM 795 CD GLU A 69 -4.924 21.809 10.396 1.00 1.97 C ATOM 796 OE1 GLU A 69 -5.051 22.750 9.588 1.00 2.63 O ATOM 797 OE2 GLU A 69 -5.238 21.902 11.600 1.00 2.27 O ATOM 0 H GLU A 69 -3.494 19.339 7.764 1.00 0.91 H new ATOM 0 HA GLU A 69 -4.598 17.696 9.656 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -5.772 20.174 8.299 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -6.298 19.542 9.847 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -3.971 19.926 10.734 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -3.555 20.679 9.207 1.00 1.64 H new ATOM 804 N VAL A 70 -6.371 17.752 6.888 1.00 0.79 N ATOM 805 CA VAL A 70 -7.608 17.284 6.277 1.00 0.86 C ATOM 806 C VAL A 70 -7.415 15.950 5.565 1.00 0.82 C ATOM 807 O VAL A 70 -8.341 15.431 4.944 1.00 1.01 O ATOM 808 CB VAL A 70 -8.217 18.318 5.302 1.00 1.09 C ATOM 809 CG1 VAL A 70 -8.682 19.568 6.041 1.00 1.96 C ATOM 810 CG2 VAL A 70 -7.222 18.682 4.222 1.00 1.41 C ATOM 0 H VAL A 70 -5.750 18.263 6.261 1.00 0.79 H new ATOM 0 HA VAL A 70 -8.312 17.145 7.098 1.00 0.86 H new ATOM 0 HB VAL A 70 -9.088 17.861 4.833 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -9.105 20.276 5.328 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -9.440 19.296 6.776 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -7.834 20.027 6.548 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -7.669 19.411 3.546 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -6.330 19.110 4.679 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -6.949 17.787 3.662 1.00 1.41 H new ATOM 820 N LEU A 71 -6.204 15.404 5.645 1.00 0.72 N ATOM 821 CA LEU A 71 -5.968 14.034 5.220 1.00 0.74 C ATOM 822 C LEU A 71 -6.408 13.107 6.339 1.00 0.70 C ATOM 823 O LEU A 71 -6.989 12.046 6.118 1.00 0.77 O ATOM 824 CB LEU A 71 -4.491 13.787 4.887 1.00 0.84 C ATOM 825 CG LEU A 71 -4.011 14.321 3.530 1.00 1.10 C ATOM 826 CD1 LEU A 71 -4.983 13.949 2.420 1.00 1.62 C ATOM 827 CD2 LEU A 71 -3.804 15.823 3.571 1.00 1.69 C ATOM 0 H LEU A 71 -5.379 15.888 5.998 1.00 0.72 H new ATOM 0 HA LEU A 71 -6.539 13.843 4.311 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -3.882 14.239 5.670 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -4.306 12.713 4.919 1.00 0.84 H new ATOM 0 HG LEU A 71 -3.051 13.852 3.316 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -4.618 14.340 1.470 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -5.066 12.864 2.358 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -5.962 14.376 2.636 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -3.464 16.170 2.595 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -4.744 16.313 3.823 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -3.054 16.067 4.324 1.00 1.69 H new ATOM 839 N ARG A 72 -6.111 13.581 7.558 1.00 0.70 N ATOM 840 CA ARG A 72 -6.208 12.807 8.805 1.00 0.78 C ATOM 841 C ARG A 72 -7.584 12.209 9.013 1.00 0.92 C ATOM 842 O ARG A 72 -7.741 11.194 9.690 1.00 1.03 O ATOM 843 CB ARG A 72 -5.865 13.708 9.992 1.00 0.77 C ATOM 844 CG ARG A 72 -4.449 14.255 9.953 1.00 1.42 C ATOM 845 CD ARG A 72 -4.223 15.308 11.026 1.00 1.49 C ATOM 846 NE ARG A 72 -4.018 14.724 12.357 1.00 2.11 N ATOM 847 CZ ARG A 72 -4.270 15.371 13.498 1.00 2.48 C ATOM 848 NH1 ARG A 72 -4.868 16.553 13.468 1.00 2.24 N ATOM 849 NH2 ARG A 72 -3.939 14.828 14.665 1.00 3.47 N ATOM 0 H ARG A 72 -5.789 14.537 7.708 1.00 0.70 H new ATOM 0 HA ARG A 72 -5.500 11.982 8.730 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -6.567 14.542 10.019 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -6.003 13.146 10.916 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -3.740 13.439 10.089 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -4.253 14.687 8.972 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -3.355 15.911 10.761 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -5.081 15.980 11.057 1.00 1.49 H new ATOM 0 HE ARG A 72 -3.663 13.770 12.414 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -5.135 16.967 12.575 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -5.061 17.049 14.338 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -3.490 13.913 14.692 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -4.134 15.327 15.533 1.00 3.47 H new ATOM 863 N GLU A 73 -8.567 12.898 8.423 1.00 1.13 N ATOM 864 CA GLU A 73 -9.997 12.617 8.593 1.00 1.55 C ATOM 865 C GLU A 73 -10.343 11.224 8.086 1.00 1.28 C ATOM 866 O GLU A 73 -11.320 10.609 8.519 1.00 1.60 O ATOM 867 CB GLU A 73 -10.824 13.632 7.799 1.00 1.97 C ATOM 868 CG GLU A 73 -10.437 15.083 8.035 1.00 2.63 C ATOM 869 CD GLU A 73 -10.590 15.530 9.476 1.00 3.18 C ATOM 870 OE1 GLU A 73 -9.635 15.372 10.263 1.00 3.65 O ATOM 871 OE2 GLU A 73 -11.679 16.022 9.833 1.00 3.55 O ATOM 0 H GLU A 73 -8.386 13.685 7.800 1.00 1.13 H new ATOM 0 HA GLU A 73 -10.225 12.684 9.657 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -10.724 13.411 6.736 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -11.876 13.504 8.054 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -9.401 15.228 7.727 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -11.051 15.721 7.399 1.00 2.63 H new ATOM 878 N GLN A 74 -9.550 10.772 7.127 1.00 0.77 N ATOM 879 CA GLN A 74 -9.756 9.500 6.444 1.00 0.62 C ATOM 880 C GLN A 74 -8.493 8.665 6.523 1.00 0.56 C ATOM 881 O GLN A 74 -8.447 7.522 6.071 1.00 0.64 O ATOM 882 CB GLN A 74 -10.105 9.767 4.982 1.00 0.63 C ATOM 883 CG GLN A 74 -11.511 10.301 4.779 1.00 0.76 C ATOM 884 CD GLN A 74 -12.557 9.202 4.839 1.00 1.00 C ATOM 885 OE1 GLN A 74 -13.116 8.910 5.896 1.00 1.57 O ATOM 886 NE2 GLN A 74 -12.814 8.575 3.702 1.00 1.68 N ATOM 0 H GLN A 74 -8.733 11.284 6.795 1.00 0.77 H new ATOM 0 HA GLN A 74 -10.571 8.957 6.922 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -9.392 10.482 4.572 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -9.991 8.843 4.416 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -11.728 11.048 5.542 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -11.571 10.805 3.814 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -12.328 8.848 2.848 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -13.498 7.819 3.680 1.00 1.68 H new ATOM 895 N ALA A 75 -7.461 9.265 7.102 1.00 0.55 N ATOM 896 CA ALA A 75 -6.144 8.665 7.142 1.00 0.58 C ATOM 897 C ALA A 75 -6.055 7.607 8.232 1.00 0.52 C ATOM 898 O ALA A 75 -6.662 7.735 9.297 1.00 0.70 O ATOM 899 CB ALA A 75 -5.085 9.736 7.339 1.00 0.70 C ATOM 0 H ALA A 75 -7.518 10.178 7.554 1.00 0.55 H new ATOM 0 HA ALA A 75 -5.964 8.170 6.188 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -4.099 9.272 7.367 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -5.128 10.446 6.513 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -5.267 10.259 8.278 1.00 0.70 H new ATOM 905 N GLY A 76 -5.294 6.563 7.942 1.00 0.49 N ATOM 906 CA GLY A 76 -5.127 5.458 8.867 1.00 0.58 C ATOM 907 C GLY A 76 -6.044 4.299 8.559 1.00 0.48 C ATOM 908 O GLY A 76 -5.901 3.223 9.139 1.00 0.72 O ATOM 0 H GLY A 76 -4.780 6.460 7.067 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -4.092 5.116 8.836 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -5.317 5.807 9.882 1.00 0.58 H new ATOM 912 N GLY A 77 -6.987 4.507 7.651 1.00 0.42 N ATOM 913 CA GLY A 77 -7.864 3.439 7.242 1.00 0.52 C ATOM 914 C GLY A 77 -8.181 3.557 5.779 1.00 0.44 C ATOM 915 O GLY A 77 -7.449 4.225 5.048 1.00 0.78 O ATOM 0 H GLY A 77 -7.157 5.401 7.191 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -7.394 2.476 7.443 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -8.785 3.472 7.824 1.00 0.52 H new ATOM 919 N ASP A 78 -9.256 2.931 5.340 1.00 0.55 N ATOM 920 CA ASP A 78 -9.581 2.947 3.928 1.00 0.72 C ATOM 921 C ASP A 78 -10.156 4.302 3.526 1.00 0.67 C ATOM 922 O ASP A 78 -10.921 4.903 4.284 1.00 1.04 O ATOM 923 CB ASP A 78 -10.544 1.819 3.568 1.00 1.14 C ATOM 924 CG ASP A 78 -10.401 1.375 2.131 1.00 1.82 C ATOM 925 OD1 ASP A 78 -10.288 2.256 1.250 1.00 2.59 O ATOM 926 OD2 ASP A 78 -10.395 0.155 1.882 1.00 2.28 O ATOM 0 H ASP A 78 -9.909 2.414 5.929 1.00 0.55 H new ATOM 0 HA ASP A 78 -8.659 2.785 3.369 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -10.366 0.969 4.227 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -11.568 2.150 3.743 1.00 1.14 H new ATOM 931 N ALA A 79 -9.795 4.772 2.342 1.00 0.54 N ATOM 932 CA ALA A 79 -10.286 6.039 1.835 1.00 0.58 C ATOM 933 C ALA A 79 -10.918 5.865 0.448 1.00 0.56 C ATOM 934 O ALA A 79 -11.332 6.844 -0.179 1.00 0.67 O ATOM 935 CB ALA A 79 -9.153 7.054 1.763 1.00 0.73 C ATOM 0 H ALA A 79 -9.157 4.287 1.711 1.00 0.54 H new ATOM 0 HA ALA A 79 -11.050 6.404 2.521 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -9.536 8.000 1.381 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -8.737 7.207 2.759 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -8.374 6.683 1.098 1.00 0.73 H new ATOM 941 N THR A 80 -10.998 4.613 -0.015 1.00 0.54 N ATOM 942 CA THR A 80 -11.439 4.285 -1.385 1.00 0.60 C ATOM 943 C THR A 80 -12.754 4.961 -1.787 1.00 0.65 C ATOM 944 O THR A 80 -13.001 5.189 -2.972 1.00 0.84 O ATOM 945 CB THR A 80 -11.603 2.761 -1.560 1.00 0.66 C ATOM 946 OG1 THR A 80 -11.988 2.452 -2.908 1.00 0.84 O ATOM 947 CG2 THR A 80 -12.655 2.208 -0.608 1.00 0.70 C ATOM 0 H THR A 80 -10.760 3.795 0.546 1.00 0.54 H new ATOM 0 HA THR A 80 -10.654 4.668 -2.037 1.00 0.60 H new ATOM 0 HB THR A 80 -10.642 2.299 -1.334 1.00 0.66 H new ATOM 0 HG1 THR A 80 -12.959 2.545 -3.000 1.00 0.84 H new ATOM 0 HG21 THR A 80 -12.749 1.132 -0.754 1.00 0.70 H new ATOM 0 HG22 THR A 80 -12.357 2.410 0.421 1.00 0.70 H new ATOM 0 HG23 THR A 80 -13.614 2.686 -0.808 1.00 0.70 H new ATOM 955 N GLU A 81 -13.570 5.299 -0.803 1.00 0.65 N ATOM 956 CA GLU A 81 -14.907 5.833 -1.034 1.00 0.79 C ATOM 957 C GLU A 81 -14.878 7.032 -1.991 1.00 0.85 C ATOM 958 O GLU A 81 -15.728 7.175 -2.866 1.00 0.98 O ATOM 959 CB GLU A 81 -15.501 6.248 0.310 1.00 0.91 C ATOM 960 CG GLU A 81 -15.506 5.130 1.345 1.00 1.54 C ATOM 961 CD GLU A 81 -15.576 5.648 2.766 1.00 1.82 C ATOM 962 OE1 GLU A 81 -14.543 6.125 3.280 1.00 2.27 O ATOM 963 OE2 GLU A 81 -16.659 5.576 3.378 1.00 2.27 O ATOM 0 H GLU A 81 -13.325 5.211 0.183 1.00 0.65 H new ATOM 0 HA GLU A 81 -15.521 5.062 -1.500 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -14.935 7.093 0.703 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -16.523 6.593 0.155 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -16.356 4.473 1.160 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -14.606 4.527 1.227 1.00 1.54 H new ATOM 970 N ASN A 82 -13.869 7.891 -1.812 1.00 0.82 N ATOM 971 CA ASN A 82 -13.725 9.105 -2.619 1.00 0.90 C ATOM 972 C ASN A 82 -13.391 8.748 -4.059 1.00 0.94 C ATOM 973 O ASN A 82 -13.753 9.460 -4.989 1.00 1.09 O ATOM 974 CB ASN A 82 -12.625 10.021 -2.049 1.00 0.93 C ATOM 975 CG ASN A 82 -11.225 9.694 -2.564 1.00 1.70 C ATOM 976 OD1 ASN A 82 -10.765 10.267 -3.551 1.00 2.41 O ATOM 977 ND2 ASN A 82 -10.538 8.768 -1.908 1.00 2.40 N ATOM 0 H ASN A 82 -13.138 7.766 -1.112 1.00 0.82 H new ATOM 0 HA ASN A 82 -14.675 9.638 -2.589 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -12.861 11.056 -2.298 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -12.629 9.946 -0.962 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -9.600 8.513 -2.219 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -10.947 8.311 -1.093 1.00 2.40 H new ATOM 984 N PHE A 83 -12.706 7.623 -4.217 1.00 0.85 N ATOM 985 CA PHE A 83 -12.122 7.234 -5.490 1.00 0.89 C ATOM 986 C PHE A 83 -13.127 6.425 -6.290 1.00 1.02 C ATOM 987 O PHE A 83 -12.897 6.085 -7.450 1.00 1.17 O ATOM 988 CB PHE A 83 -10.852 6.420 -5.219 1.00 0.81 C ATOM 989 CG PHE A 83 -9.844 6.440 -6.340 1.00 0.86 C ATOM 990 CD1 PHE A 83 -9.231 7.626 -6.708 1.00 0.97 C ATOM 991 CD2 PHE A 83 -9.495 5.277 -7.011 1.00 1.20 C ATOM 992 CE1 PHE A 83 -8.289 7.655 -7.719 1.00 1.06 C ATOM 993 CE2 PHE A 83 -8.554 5.301 -8.029 1.00 1.33 C ATOM 994 CZ PHE A 83 -7.949 6.492 -8.382 1.00 1.13 C ATOM 0 H PHE A 83 -12.541 6.955 -3.464 1.00 0.85 H new ATOM 0 HA PHE A 83 -11.861 8.117 -6.073 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -10.378 6.801 -4.314 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -11.134 5.386 -5.020 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -9.493 8.541 -6.198 1.00 0.97 H new ATOM 0 HD2 PHE A 83 -9.962 4.342 -6.737 1.00 1.20 H new ATOM 0 HE1 PHE A 83 -7.818 8.588 -7.991 1.00 1.06 H new ATOM 0 HE2 PHE A 83 -8.294 4.389 -8.546 1.00 1.33 H new ATOM 0 HZ PHE A 83 -7.214 6.513 -9.173 1.00 1.13 H new ATOM 1004 N GLU A 84 -14.243 6.122 -5.636 1.00 1.00 N ATOM 1005 CA GLU A 84 -15.323 5.363 -6.237 1.00 1.14 C ATOM 1006 C GLU A 84 -16.591 6.214 -6.251 1.00 1.24 C ATOM 1007 O GLU A 84 -17.702 5.713 -6.414 1.00 1.46 O ATOM 1008 CB GLU A 84 -15.505 4.042 -5.466 1.00 1.20 C ATOM 1009 CG GLU A 84 -15.933 4.166 -4.020 1.00 1.33 C ATOM 1010 CD GLU A 84 -15.835 2.827 -3.309 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -14.707 2.382 -3.016 1.00 2.19 O ATOM 1012 OE2 GLU A 84 -16.894 2.225 -3.014 1.00 2.30 O ATOM 0 H GLU A 84 -14.420 6.399 -4.671 1.00 1.00 H new ATOM 0 HA GLU A 84 -15.090 5.108 -7.271 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -16.244 3.438 -5.992 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -14.564 3.494 -5.499 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -15.306 4.899 -3.512 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -16.958 4.535 -3.970 1.00 1.33 H new ATOM 1019 N ASP A 85 -16.383 7.530 -6.096 1.00 1.18 N ATOM 1020 CA ASP A 85 -17.470 8.503 -6.020 1.00 1.34 C ATOM 1021 C ASP A 85 -17.315 9.558 -7.121 1.00 1.45 C ATOM 1022 O ASP A 85 -17.876 9.408 -8.201 1.00 1.90 O ATOM 1023 CB ASP A 85 -17.475 9.153 -4.632 1.00 1.35 C ATOM 1024 CG ASP A 85 -18.594 10.155 -4.432 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -19.762 9.740 -4.299 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -18.299 11.366 -4.377 1.00 1.81 O ATOM 0 H ASP A 85 -15.454 7.944 -6.020 1.00 1.18 H new ATOM 0 HA ASP A 85 -18.423 7.998 -6.173 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -17.559 8.373 -3.876 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -16.519 9.652 -4.471 1.00 1.35 H new ATOM 1031 N VAL A 86 -16.537 10.609 -6.857 1.00 1.34 N ATOM 1032 CA VAL A 86 -16.208 11.617 -7.880 1.00 1.50 C ATOM 1033 C VAL A 86 -14.805 12.185 -7.660 1.00 1.26 C ATOM 1034 O VAL A 86 -14.484 13.278 -8.125 1.00 1.87 O ATOM 1035 CB VAL A 86 -17.213 12.800 -7.901 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -18.591 12.353 -8.373 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -17.302 13.451 -6.527 1.00 2.64 C ATOM 0 H VAL A 86 -16.120 10.789 -5.944 1.00 1.34 H new ATOM 0 HA VAL A 86 -16.262 11.096 -8.836 1.00 1.50 H new ATOM 0 HB VAL A 86 -16.842 13.538 -8.613 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -19.269 13.206 -8.375 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -18.516 11.946 -9.381 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -18.975 11.586 -7.700 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -18.011 14.278 -6.561 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -17.638 12.715 -5.797 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -16.320 13.827 -6.238 1.00 2.64 H new ATOM 1047 N GLY A 87 -13.967 11.427 -6.968 1.00 1.38 N ATOM 1048 CA GLY A 87 -12.669 11.934 -6.550 1.00 1.82 C ATOM 1049 C GLY A 87 -11.545 11.655 -7.530 1.00 1.46 C ATOM 1050 O GLY A 87 -11.386 10.529 -8.004 1.00 2.23 O ATOM 0 H GLY A 87 -14.161 10.466 -6.686 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -12.744 13.011 -6.398 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -12.413 11.493 -5.586 1.00 1.82 H new ATOM 1054 N HIS A 88 -10.774 12.710 -7.809 1.00 1.05 N ATOM 1055 CA HIS A 88 -9.534 12.639 -8.593 1.00 0.81 C ATOM 1056 C HIS A 88 -9.779 12.466 -10.089 1.00 0.89 C ATOM 1057 O HIS A 88 -10.698 11.768 -10.519 1.00 1.32 O ATOM 1058 CB HIS A 88 -8.593 11.533 -8.084 1.00 0.89 C ATOM 1059 CG HIS A 88 -8.080 11.757 -6.697 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -8.395 10.946 -5.612 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -7.250 12.717 -6.217 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -7.762 11.433 -4.533 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -7.072 12.492 -4.868 1.00 0.48 N ATOM 0 H HIS A 88 -10.996 13.654 -7.492 1.00 1.05 H new ATOM 0 HA HIS A 88 -9.049 13.605 -8.450 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -9.120 10.580 -8.115 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -7.745 11.451 -8.764 1.00 0.89 H new ATOM 0 HD1 HIS A 88 -9.001 10.125 -5.632 1.00 0.88 H new ATOM 0 HD2 HIS A 88 -6.806 13.517 -6.791 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -7.815 11.014 -3.539 1.00 0.98 H new ATOM 1071 N SER A 89 -8.943 13.116 -10.888 1.00 0.81 N ATOM 1072 CA SER A 89 -8.971 12.935 -12.325 1.00 1.00 C ATOM 1073 C SER A 89 -7.797 12.060 -12.750 1.00 1.00 C ATOM 1074 O SER A 89 -7.042 11.587 -11.893 1.00 1.43 O ATOM 1075 CB SER A 89 -8.939 14.290 -13.040 1.00 1.22 C ATOM 1076 OG SER A 89 -7.899 15.118 -12.537 1.00 1.06 O ATOM 0 H SER A 89 -8.237 13.774 -10.559 1.00 0.81 H new ATOM 0 HA SER A 89 -9.898 12.437 -12.607 1.00 1.00 H new ATOM 0 HB2 SER A 89 -8.798 14.135 -14.110 1.00 1.22 H new ATOM 0 HB3 SER A 89 -9.898 14.792 -12.915 1.00 1.22 H new ATOM 0 HG SER A 89 -7.238 15.278 -13.243 1.00 1.06 H new ATOM 1082 N THR A 90 -7.638 11.852 -14.052 1.00 1.14 N ATOM 1083 CA THR A 90 -6.618 10.957 -14.582 1.00 1.15 C ATOM 1084 C THR A 90 -5.230 11.257 -13.992 1.00 1.15 C ATOM 1085 O THR A 90 -4.466 10.339 -13.689 1.00 1.72 O ATOM 1086 CB THR A 90 -6.561 11.083 -16.114 1.00 1.27 C ATOM 1087 OG1 THR A 90 -7.892 11.242 -16.637 1.00 1.45 O ATOM 1088 CG2 THR A 90 -5.907 9.859 -16.741 1.00 1.49 C ATOM 0 H THR A 90 -8.211 12.298 -14.768 1.00 1.14 H new ATOM 0 HA THR A 90 -6.891 9.941 -14.299 1.00 1.15 H new ATOM 0 HB THR A 90 -5.960 11.958 -16.363 1.00 1.27 H new ATOM 0 HG1 THR A 90 -7.852 11.324 -17.613 1.00 1.45 H new ATOM 0 HG21 THR A 90 -5.880 9.976 -17.824 1.00 1.49 H new ATOM 0 HG22 THR A 90 -4.890 9.755 -16.362 1.00 1.49 H new ATOM 0 HG23 THR A 90 -6.482 8.969 -16.486 1.00 1.49 H new ATOM 1096 N ASP A 91 -4.954 12.547 -13.785 1.00 0.95 N ATOM 1097 CA ASP A 91 -3.645 13.037 -13.336 1.00 0.97 C ATOM 1098 C ASP A 91 -3.140 12.280 -12.108 1.00 0.89 C ATOM 1099 O ASP A 91 -2.017 11.771 -12.082 1.00 0.88 O ATOM 1100 CB ASP A 91 -3.754 14.525 -12.995 1.00 1.12 C ATOM 1101 CG ASP A 91 -4.489 15.312 -14.060 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -5.740 15.236 -14.099 1.00 2.46 O ATOM 1103 OD2 ASP A 91 -3.832 16.001 -14.859 1.00 1.90 O ATOM 0 H ASP A 91 -5.639 13.290 -13.925 1.00 0.95 H new ATOM 0 HA ASP A 91 -2.934 12.876 -14.146 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -4.271 14.639 -12.042 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -2.754 14.939 -12.867 1.00 1.12 H new ATOM 1108 N ALA A 92 -4.003 12.206 -11.097 1.00 0.90 N ATOM 1109 CA ALA A 92 -3.649 11.684 -9.783 1.00 0.90 C ATOM 1110 C ALA A 92 -3.491 10.170 -9.783 1.00 0.82 C ATOM 1111 O ALA A 92 -3.133 9.585 -8.765 1.00 1.07 O ATOM 1112 CB ALA A 92 -4.702 12.098 -8.773 1.00 0.97 C ATOM 0 H ALA A 92 -4.974 12.509 -11.169 1.00 0.90 H new ATOM 0 HA ALA A 92 -2.682 12.106 -9.510 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -4.437 11.708 -7.790 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -4.756 13.186 -8.729 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -5.671 11.699 -9.073 1.00 0.97 H new ATOM 1118 N ARG A 93 -3.751 9.542 -10.916 1.00 0.75 N ATOM 1119 CA ARG A 93 -3.622 8.097 -11.035 1.00 0.73 C ATOM 1120 C ARG A 93 -2.198 7.716 -11.438 1.00 0.69 C ATOM 1121 O ARG A 93 -1.796 6.558 -11.359 1.00 0.81 O ATOM 1122 CB ARG A 93 -4.628 7.585 -12.060 1.00 0.82 C ATOM 1123 CG ARG A 93 -6.071 7.897 -11.703 1.00 1.64 C ATOM 1124 CD ARG A 93 -7.020 7.218 -12.665 1.00 1.70 C ATOM 1125 NE ARG A 93 -6.855 5.763 -12.655 1.00 2.71 N ATOM 1126 CZ ARG A 93 -7.674 4.914 -13.266 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -8.768 5.366 -13.866 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -7.403 3.607 -13.260 1.00 4.15 N ATOM 0 H ARG A 93 -4.054 10.010 -11.770 1.00 0.75 H new ATOM 0 HA ARG A 93 -3.829 7.636 -10.069 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -4.400 8.024 -13.031 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -4.513 6.506 -12.162 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -6.279 7.566 -10.685 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -6.231 8.975 -11.726 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -8.047 7.469 -12.401 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -6.849 7.596 -13.673 1.00 1.70 H new ATOM 0 HE ARG A 93 -6.060 5.376 -12.146 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -8.979 6.364 -13.858 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -9.398 4.715 -14.336 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -6.568 3.261 -12.787 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -8.031 2.954 -13.729 1.00 4.15 H new ATOM 1142 N GLU A 94 -1.439 8.723 -11.845 1.00 0.60 N ATOM 1143 CA GLU A 94 -0.093 8.530 -12.370 1.00 0.60 C ATOM 1144 C GLU A 94 0.918 9.033 -11.356 1.00 0.58 C ATOM 1145 O GLU A 94 2.084 8.648 -11.360 1.00 0.74 O ATOM 1146 CB GLU A 94 0.068 9.299 -13.689 1.00 0.68 C ATOM 1147 CG GLU A 94 -0.692 8.708 -14.870 1.00 1.19 C ATOM 1148 CD GLU A 94 -0.060 7.433 -15.403 1.00 1.38 C ATOM 1149 OE1 GLU A 94 0.959 7.526 -16.119 1.00 1.62 O ATOM 1150 OE2 GLU A 94 -0.587 6.336 -15.121 1.00 2.11 O ATOM 0 H GLU A 94 -1.738 9.698 -11.821 1.00 0.60 H new ATOM 0 HA GLU A 94 0.075 7.469 -12.556 1.00 0.60 H new ATOM 0 HB2 GLU A 94 -0.265 10.326 -13.538 1.00 0.68 H new ATOM 0 HB3 GLU A 94 1.128 9.342 -13.941 1.00 0.68 H new ATOM 0 HG2 GLU A 94 -1.718 8.500 -14.567 1.00 1.19 H new ATOM 0 HG3 GLU A 94 -0.740 9.446 -15.671 1.00 1.19 H new ATOM 1157 N MET A 95 0.441 9.934 -10.506 1.00 0.48 N ATOM 1158 CA MET A 95 1.251 10.533 -9.461 1.00 0.49 C ATOM 1159 C MET A 95 1.293 9.640 -8.231 1.00 0.42 C ATOM 1160 O MET A 95 2.292 9.584 -7.526 1.00 0.50 O ATOM 1161 CB MET A 95 0.654 11.897 -9.099 1.00 0.53 C ATOM 1162 CG MET A 95 1.321 12.596 -7.921 1.00 0.65 C ATOM 1163 SD MET A 95 3.045 13.037 -8.209 1.00 1.09 S ATOM 1164 CE MET A 95 3.441 13.737 -6.607 1.00 1.75 C ATOM 0 H MET A 95 -0.522 10.269 -10.525 1.00 0.48 H new ATOM 0 HA MET A 95 2.272 10.655 -9.822 1.00 0.49 H new ATOM 0 HB2 MET A 95 0.716 12.548 -9.971 1.00 0.53 H new ATOM 0 HB3 MET A 95 -0.404 11.766 -8.873 1.00 0.53 H new ATOM 0 HG2 MET A 95 0.760 13.500 -7.684 1.00 0.65 H new ATOM 0 HG3 MET A 95 1.264 11.947 -7.047 1.00 0.65 H new ATOM 0 HE1 MET A 95 3.522 14.821 -6.693 1.00 1.75 H new ATOM 0 HE2 MET A 95 2.653 13.487 -5.896 1.00 1.75 H new ATOM 0 HE3 MET A 95 4.389 13.329 -6.256 1.00 1.75 H new ATOM 1174 N SER A 96 0.180 8.943 -7.987 1.00 0.34 N ATOM 1175 CA SER A 96 -0.040 8.292 -6.707 1.00 0.31 C ATOM 1176 C SER A 96 0.597 6.916 -6.628 1.00 0.31 C ATOM 1177 O SER A 96 0.791 6.371 -5.544 1.00 0.33 O ATOM 1178 CB SER A 96 -1.530 8.165 -6.422 1.00 0.36 C ATOM 1179 OG SER A 96 -2.192 7.487 -7.472 1.00 1.13 O ATOM 0 H SER A 96 -0.576 8.819 -8.660 1.00 0.34 H new ATOM 0 HA SER A 96 0.436 8.924 -5.958 1.00 0.31 H new ATOM 0 HB2 SER A 96 -1.680 7.627 -5.486 1.00 0.36 H new ATOM 0 HB3 SER A 96 -1.965 9.156 -6.293 1.00 0.36 H new ATOM 0 HG SER A 96 -2.816 8.099 -7.915 1.00 1.13 H new ATOM 1185 N LYS A 97 0.860 6.342 -7.800 1.00 0.36 N ATOM 1186 CA LYS A 97 1.202 4.931 -7.920 1.00 0.43 C ATOM 1187 C LYS A 97 2.478 4.579 -7.172 1.00 0.41 C ATOM 1188 O LYS A 97 2.673 3.429 -6.787 1.00 0.48 O ATOM 1189 CB LYS A 97 1.293 4.525 -9.396 1.00 0.56 C ATOM 1190 CG LYS A 97 2.186 5.409 -10.247 1.00 0.83 C ATOM 1191 CD LYS A 97 2.309 4.850 -11.656 1.00 1.15 C ATOM 1192 CE LYS A 97 3.118 5.757 -12.565 1.00 1.56 C ATOM 1193 NZ LYS A 97 3.372 5.121 -13.883 1.00 2.15 N ATOM 0 H LYS A 97 0.842 6.842 -8.689 1.00 0.36 H new ATOM 0 HA LYS A 97 0.400 4.361 -7.451 1.00 0.43 H new ATOM 0 HB2 LYS A 97 1.659 3.500 -9.454 1.00 0.56 H new ATOM 0 HB3 LYS A 97 0.290 4.530 -9.822 1.00 0.56 H new ATOM 0 HG2 LYS A 97 1.777 6.419 -10.285 1.00 0.83 H new ATOM 0 HG3 LYS A 97 3.174 5.482 -9.792 1.00 0.83 H new ATOM 0 HD2 LYS A 97 2.779 3.867 -11.615 1.00 1.15 H new ATOM 0 HD3 LYS A 97 1.314 4.710 -12.078 1.00 1.15 H new ATOM 0 HE2 LYS A 97 2.586 6.697 -12.710 1.00 1.56 H new ATOM 0 HE3 LYS A 97 4.068 5.999 -12.088 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 3.927 5.768 -14.479 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 3.901 4.237 -13.745 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 2.466 4.913 -14.349 1.00 2.15 H new ATOM 1207 N THR A 98 3.340 5.567 -6.965 1.00 0.40 N ATOM 1208 CA THR A 98 4.601 5.347 -6.280 1.00 0.46 C ATOM 1209 C THR A 98 4.502 5.687 -4.800 1.00 0.41 C ATOM 1210 O THR A 98 5.488 5.612 -4.068 1.00 0.48 O ATOM 1211 CB THR A 98 5.719 6.177 -6.919 1.00 0.59 C ATOM 1212 OG1 THR A 98 5.166 7.393 -7.450 1.00 1.01 O ATOM 1213 CG2 THR A 98 6.406 5.392 -8.023 1.00 1.15 C ATOM 0 H THR A 98 3.185 6.530 -7.264 1.00 0.40 H new ATOM 0 HA THR A 98 4.837 4.287 -6.377 1.00 0.46 H new ATOM 0 HB THR A 98 6.461 6.415 -6.157 1.00 0.59 H new ATOM 0 HG1 THR A 98 5.880 7.926 -7.858 1.00 1.01 H new ATOM 0 HG21 THR A 98 7.197 5.999 -8.464 1.00 1.15 H new ATOM 0 HG22 THR A 98 6.837 4.481 -7.608 1.00 1.15 H new ATOM 0 HG23 THR A 98 5.678 5.131 -8.791 1.00 1.15 H new ATOM 1221 N PHE A 99 3.307 6.079 -4.375 1.00 0.32 N ATOM 1222 CA PHE A 99 3.025 6.321 -2.968 1.00 0.32 C ATOM 1223 C PHE A 99 2.412 5.071 -2.354 1.00 0.30 C ATOM 1224 O PHE A 99 2.207 4.982 -1.143 1.00 0.31 O ATOM 1225 CB PHE A 99 2.078 7.514 -2.803 1.00 0.34 C ATOM 1226 CG PHE A 99 2.728 8.844 -3.064 1.00 0.36 C ATOM 1227 CD1 PHE A 99 3.603 9.391 -2.139 1.00 0.88 C ATOM 1228 CD2 PHE A 99 2.455 9.550 -4.224 1.00 0.77 C ATOM 1229 CE1 PHE A 99 4.191 10.619 -2.364 1.00 0.90 C ATOM 1230 CE2 PHE A 99 3.044 10.779 -4.457 1.00 0.81 C ATOM 1231 CZ PHE A 99 3.913 11.314 -3.525 1.00 0.47 C ATOM 0 H PHE A 99 2.511 6.237 -4.993 1.00 0.32 H new ATOM 0 HA PHE A 99 3.957 6.557 -2.455 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.234 7.393 -3.482 1.00 0.34 H new ATOM 0 HB3 PHE A 99 1.675 7.509 -1.790 1.00 0.34 H new ATOM 0 HD1 PHE A 99 3.827 8.850 -1.232 1.00 0.88 H new ATOM 0 HD2 PHE A 99 1.775 9.136 -4.954 1.00 0.77 H new ATOM 0 HE1 PHE A 99 4.868 11.036 -1.633 1.00 0.90 H new ATOM 0 HE2 PHE A 99 2.825 11.320 -5.366 1.00 0.81 H new ATOM 0 HZ PHE A 99 4.374 12.274 -3.704 1.00 0.47 H new ATOM 1241 N ILE A 100 2.097 4.115 -3.225 1.00 0.32 N ATOM 1242 CA ILE A 100 1.543 2.842 -2.803 1.00 0.32 C ATOM 1243 C ILE A 100 2.639 1.996 -2.160 1.00 0.34 C ATOM 1244 O ILE A 100 3.449 1.394 -2.863 1.00 0.43 O ATOM 1245 CB ILE A 100 0.942 2.049 -3.983 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.010 2.927 -4.825 1.00 0.32 C ATOM 1247 CG2 ILE A 100 0.202 0.839 -3.440 1.00 0.42 C ATOM 1248 CD1 ILE A 100 -0.610 2.205 -6.001 1.00 0.38 C ATOM 0 H ILE A 100 2.219 4.205 -4.234 1.00 0.32 H new ATOM 0 HA ILE A 100 0.746 3.056 -2.091 1.00 0.32 H new ATOM 0 HB ILE A 100 1.749 1.718 -4.637 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.785 3.313 -4.187 1.00 0.32 H new ATOM 0 HG13 ILE A 100 0.570 3.787 -5.192 1.00 0.32 H new ATOM 0 HG21 ILE A 100 -0.226 0.273 -4.267 1.00 0.42 H new ATOM 0 HG22 ILE A 100 0.896 0.206 -2.888 1.00 0.42 H new ATOM 0 HG23 ILE A 100 -0.596 1.169 -2.775 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -1.257 2.890 -6.549 1.00 0.38 H new ATOM 0 HD12 ILE A 100 0.178 1.842 -6.662 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -1.198 1.361 -5.641 1.00 0.38 H new ATOM 1260 N ILE A 101 2.669 1.949 -0.836 1.00 0.32 N ATOM 1261 CA ILE A 101 3.785 1.322 -0.139 1.00 0.35 C ATOM 1262 C ILE A 101 3.561 -0.164 0.134 1.00 0.36 C ATOM 1263 O ILE A 101 4.488 -0.856 0.555 1.00 0.43 O ATOM 1264 CB ILE A 101 4.115 2.032 1.188 1.00 0.36 C ATOM 1265 CG1 ILE A 101 2.881 2.084 2.086 1.00 0.33 C ATOM 1266 CG2 ILE A 101 4.647 3.429 0.909 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.138 2.653 3.463 1.00 0.38 C ATOM 0 H ILE A 101 1.944 2.332 -0.229 1.00 0.32 H new ATOM 0 HA ILE A 101 4.631 1.421 -0.820 1.00 0.35 H new ATOM 0 HB ILE A 101 4.886 1.468 1.712 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.114 2.683 1.595 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.480 1.076 2.191 1.00 0.33 H new ATOM 0 HG21 ILE A 101 4.878 3.925 1.852 1.00 0.46 H new ATOM 0 HG22 ILE A 101 5.551 3.360 0.304 1.00 0.46 H new ATOM 0 HG23 ILE A 101 3.894 4.005 0.371 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.210 2.654 4.035 1.00 0.38 H new ATOM 0 HD12 ILE A 101 3.880 2.042 3.976 1.00 0.38 H new ATOM 0 HD13 ILE A 101 3.509 3.674 3.371 1.00 0.38 H new ATOM 1279 N GLY A 102 2.347 -0.656 -0.081 1.00 0.33 N ATOM 1280 CA GLY A 102 2.103 -2.083 0.079 1.00 0.39 C ATOM 1281 C GLY A 102 0.633 -2.418 0.148 1.00 0.35 C ATOM 1282 O GLY A 102 -0.210 -1.534 0.021 1.00 0.35 O ATOM 0 H GLY A 102 1.535 -0.104 -0.359 1.00 0.33 H new ATOM 0 HA2 GLY A 102 2.555 -2.621 -0.754 1.00 0.39 H new ATOM 0 HA3 GLY A 102 2.594 -2.432 0.987 1.00 0.39 H new ATOM 1286 N GLU A 103 0.332 -3.696 0.349 1.00 0.40 N ATOM 1287 CA GLU A 103 -1.043 -4.163 0.428 1.00 0.42 C ATOM 1288 C GLU A 103 -1.411 -4.505 1.871 1.00 0.37 C ATOM 1289 O GLU A 103 -0.643 -4.233 2.795 1.00 0.39 O ATOM 1290 CB GLU A 103 -1.256 -5.386 -0.473 1.00 0.52 C ATOM 1291 CG GLU A 103 -1.318 -5.078 -1.966 1.00 0.74 C ATOM 1292 CD GLU A 103 -0.066 -4.409 -2.506 1.00 1.22 C ATOM 1293 OE1 GLU A 103 0.989 -5.074 -2.554 1.00 1.87 O ATOM 1294 OE2 GLU A 103 -0.116 -3.213 -2.842 1.00 1.85 O ATOM 0 H GLU A 103 1.030 -4.431 0.461 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.692 -3.359 0.081 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -0.448 -6.095 -0.296 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -2.183 -5.879 -0.179 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -1.487 -6.006 -2.512 1.00 0.74 H new ATOM 0 HG3 GLU A 103 -2.175 -4.433 -2.159 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.575 -5.108 2.062 1.00 0.40 N ATOM 1302 CA LEU A 104 -3.052 -5.448 3.398 1.00 0.42 C ATOM 1303 C LEU A 104 -2.830 -6.932 3.708 1.00 0.42 C ATOM 1304 O LEU A 104 -2.635 -7.742 2.797 1.00 0.48 O ATOM 1305 CB LEU A 104 -4.538 -5.089 3.533 1.00 0.51 C ATOM 1306 CG LEU A 104 -4.866 -3.596 3.391 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -6.372 -3.359 3.447 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -4.170 -2.797 4.480 1.00 1.33 C ATOM 0 H LEU A 104 -3.209 -5.373 1.308 1.00 0.40 H new ATOM 0 HA LEU A 104 -2.478 -4.868 4.121 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -5.099 -5.641 2.778 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -4.891 -5.431 4.506 1.00 0.51 H new ATOM 0 HG LEU A 104 -4.504 -3.261 2.419 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -6.577 -2.293 3.344 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -6.856 -3.902 2.635 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -6.761 -3.713 4.402 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -4.412 -1.740 4.367 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -4.507 -3.144 5.457 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -3.092 -2.933 4.398 1.00 1.33 H new ATOM 1320 N HIS A 105 -2.842 -7.276 4.995 1.00 0.48 N ATOM 1321 CA HIS A 105 -2.645 -8.656 5.448 1.00 0.53 C ATOM 1322 C HIS A 105 -3.780 -9.569 4.933 1.00 0.60 C ATOM 1323 O HIS A 105 -4.854 -9.089 4.630 1.00 0.64 O ATOM 1324 CB HIS A 105 -2.603 -8.664 6.985 1.00 0.68 C ATOM 1325 CG HIS A 105 -1.773 -9.755 7.589 1.00 1.13 C ATOM 1326 ND1 HIS A 105 -2.298 -10.742 8.389 1.00 1.82 N ATOM 1327 CD2 HIS A 105 -0.440 -9.999 7.518 1.00 1.68 C ATOM 1328 CE1 HIS A 105 -1.328 -11.547 8.786 1.00 2.41 C ATOM 1329 NE2 HIS A 105 -0.191 -11.120 8.271 1.00 2.37 N ATOM 0 H HIS A 105 -2.988 -6.609 5.753 1.00 0.48 H new ATOM 0 HA HIS A 105 -1.706 -9.041 5.050 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -2.219 -7.703 7.328 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -3.622 -8.753 7.361 1.00 0.68 H new ATOM 0 HD2 HIS A 105 0.289 -9.420 6.971 1.00 1.68 H new ATOM 0 HE1 HIS A 105 -1.446 -12.410 9.425 1.00 2.41 H new ATOM 0 HE2 HIS A 105 0.723 -11.552 8.409 1.00 2.37 H new ATOM 1338 N PRO A 106 -3.517 -10.888 4.790 1.00 0.74 N ATOM 1339 CA PRO A 106 -4.478 -11.934 4.390 1.00 1.00 C ATOM 1340 C PRO A 106 -5.977 -11.650 4.617 1.00 1.18 C ATOM 1341 O PRO A 106 -6.804 -11.931 3.747 1.00 1.67 O ATOM 1342 CB PRO A 106 -4.019 -13.086 5.284 1.00 1.17 C ATOM 1343 CG PRO A 106 -2.536 -12.916 5.404 1.00 1.02 C ATOM 1344 CD PRO A 106 -2.205 -11.508 4.962 1.00 0.79 C ATOM 0 HA PRO A 106 -4.456 -12.084 3.311 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -4.501 -13.044 6.261 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -4.271 -14.051 4.845 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -2.213 -13.082 6.432 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -2.015 -13.645 4.784 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -1.608 -10.983 5.707 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -1.633 -11.502 4.034 1.00 0.79 H new ATOM 1352 N ASP A 107 -6.311 -11.110 5.791 1.00 1.16 N ATOM 1353 CA ASP A 107 -7.700 -10.980 6.243 1.00 1.47 C ATOM 1354 C ASP A 107 -8.248 -9.663 5.755 1.00 1.22 C ATOM 1355 O ASP A 107 -9.416 -9.525 5.397 1.00 1.47 O ATOM 1356 CB ASP A 107 -7.737 -11.009 7.777 1.00 1.90 C ATOM 1357 CG ASP A 107 -9.140 -11.156 8.346 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -9.877 -10.145 8.395 1.00 3.31 O ATOM 1359 OD2 ASP A 107 -9.526 -12.278 8.724 1.00 3.27 O ATOM 0 H ASP A 107 -5.627 -10.750 6.456 1.00 1.16 H new ATOM 0 HA ASP A 107 -8.300 -11.801 5.849 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -7.121 -11.835 8.132 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -7.292 -10.091 8.161 1.00 1.90 H new ATOM 1364 N ASP A 108 -7.341 -8.704 5.770 1.00 0.95 N ATOM 1365 CA ASP A 108 -7.582 -7.334 5.389 1.00 1.11 C ATOM 1366 C ASP A 108 -7.598 -7.199 3.873 1.00 1.14 C ATOM 1367 O ASP A 108 -8.146 -6.256 3.303 1.00 1.53 O ATOM 1368 CB ASP A 108 -6.456 -6.475 5.973 1.00 1.39 C ATOM 1369 CG ASP A 108 -6.032 -6.929 7.364 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -5.404 -7.992 7.485 1.00 3.44 O ATOM 1371 OD2 ASP A 108 -6.347 -6.217 8.344 1.00 3.12 O ATOM 0 H ASP A 108 -6.378 -8.870 6.061 1.00 0.95 H new ATOM 0 HA ASP A 108 -8.550 -7.008 5.770 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -5.595 -6.509 5.306 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -6.783 -5.436 6.018 1.00 1.39 H new ATOM 1376 N ARG A 109 -6.913 -8.175 3.255 1.00 0.99 N ATOM 1377 CA ARG A 109 -6.550 -8.157 1.843 1.00 1.18 C ATOM 1378 C ARG A 109 -7.777 -8.171 0.952 1.00 1.48 C ATOM 1379 O ARG A 109 -7.820 -7.419 -0.013 1.00 1.98 O ATOM 1380 CB ARG A 109 -5.635 -9.352 1.497 1.00 1.11 C ATOM 1381 CG ARG A 109 -4.970 -9.247 0.125 1.00 1.45 C ATOM 1382 CD ARG A 109 -4.025 -10.418 -0.147 1.00 1.73 C ATOM 1383 NE ARG A 109 -4.733 -11.631 -0.576 1.00 2.25 N ATOM 1384 CZ ARG A 109 -4.155 -12.637 -1.253 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -2.852 -12.612 -1.517 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -4.876 -13.681 -1.658 1.00 3.35 N ATOM 0 H ARG A 109 -6.593 -9.013 3.740 1.00 0.99 H new ATOM 0 HA ARG A 109 -6.007 -7.230 1.660 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -4.861 -9.437 2.259 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -6.222 -10.270 1.536 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -5.738 -9.214 -0.648 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -4.414 -8.311 0.062 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -3.308 -10.130 -0.916 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -3.454 -10.636 0.756 1.00 1.73 H new ATOM 0 HE ARG A 109 -5.723 -11.715 -0.346 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -2.283 -11.825 -1.205 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -2.421 -13.380 -2.032 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -5.875 -13.721 -1.455 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -4.429 -14.441 -2.172 1.00 3.35 H new ATOM 1400 N PRO A 110 -8.769 -9.056 1.211 1.00 1.77 N ATOM 1401 CA PRO A 110 -10.029 -9.021 0.499 1.00 2.09 C ATOM 1402 C PRO A 110 -11.008 -8.044 1.134 1.00 2.31 C ATOM 1403 O PRO A 110 -11.975 -7.625 0.495 1.00 2.89 O ATOM 1404 CB PRO A 110 -10.561 -10.461 0.595 1.00 2.66 C ATOM 1405 CG PRO A 110 -9.585 -11.212 1.449 1.00 2.94 C ATOM 1406 CD PRO A 110 -8.742 -10.185 2.149 1.00 2.39 C ATOM 0 HA PRO A 110 -9.903 -8.684 -0.530 1.00 2.09 H new ATOM 0 HB2 PRO A 110 -11.558 -10.479 1.036 1.00 2.66 H new ATOM 0 HB3 PRO A 110 -10.641 -10.913 -0.394 1.00 2.66 H new ATOM 0 HG2 PRO A 110 -10.107 -11.841 2.170 1.00 2.94 H new ATOM 0 HG3 PRO A 110 -8.966 -11.871 0.840 1.00 2.94 H new ATOM 0 HD2 PRO A 110 -9.156 -9.915 3.121 1.00 2.39 H new ATOM 0 HD3 PRO A 110 -7.727 -10.543 2.323 1.00 2.39 H new ATOM 1414 N LYS A 111 -10.753 -7.708 2.409 1.00 2.13 N ATOM 1415 CA LYS A 111 -11.556 -6.730 3.163 1.00 2.67 C ATOM 1416 C LYS A 111 -12.935 -7.261 3.537 1.00 3.16 C ATOM 1417 O LYS A 111 -13.432 -6.998 4.629 1.00 3.69 O ATOM 1418 CB LYS A 111 -11.711 -5.429 2.377 1.00 2.87 C ATOM 1419 CG LYS A 111 -10.523 -4.495 2.504 1.00 2.82 C ATOM 1420 CD LYS A 111 -10.652 -3.322 1.544 1.00 3.47 C ATOM 1421 CE LYS A 111 -11.945 -2.540 1.753 1.00 3.97 C ATOM 1422 NZ LYS A 111 -11.898 -1.700 2.976 1.00 4.54 N ATOM 0 H LYS A 111 -9.984 -8.107 2.947 1.00 2.13 H new ATOM 0 HA LYS A 111 -11.010 -6.540 4.087 1.00 2.67 H new ATOM 0 HB2 LYS A 111 -11.864 -5.667 1.324 1.00 2.87 H new ATOM 0 HB3 LYS A 111 -12.607 -4.912 2.720 1.00 2.87 H new ATOM 0 HG2 LYS A 111 -10.452 -4.127 3.527 1.00 2.82 H new ATOM 0 HG3 LYS A 111 -9.602 -5.040 2.297 1.00 2.82 H new ATOM 0 HD2 LYS A 111 -9.801 -2.654 1.675 1.00 3.47 H new ATOM 0 HD3 LYS A 111 -10.614 -3.689 0.518 1.00 3.47 H new ATOM 0 HE2 LYS A 111 -12.129 -1.906 0.885 1.00 3.97 H new ATOM 0 HE3 LYS A 111 -12.781 -3.235 1.823 1.00 3.97 H new ATOM 0 HZ1 LYS A 111 -12.858 -1.376 3.212 1.00 4.54 H new ATOM 0 HZ2 LYS A 111 -11.518 -2.259 3.766 1.00 4.54 H new ATOM 0 HZ3 LYS A 111 -11.286 -0.876 2.808 1.00 4.54 H new ATOM 1436 N LEU A 112 -13.541 -8.003 2.621 1.00 3.28 N ATOM 1437 CA LEU A 112 -14.935 -8.422 2.734 1.00 3.87 C ATOM 1438 C LEU A 112 -15.115 -9.570 3.737 1.00 4.03 C ATOM 1439 O LEU A 112 -15.889 -10.488 3.480 1.00 4.40 O ATOM 1440 CB LEU A 112 -15.434 -8.849 1.346 1.00 4.14 C ATOM 1441 CG LEU A 112 -16.955 -8.884 1.162 1.00 4.72 C ATOM 1442 CD1 LEU A 112 -17.547 -7.498 1.378 1.00 5.33 C ATOM 1443 CD2 LEU A 112 -17.310 -9.406 -0.225 1.00 5.13 C ATOM 0 H LEU A 112 -13.079 -8.334 1.774 1.00 3.28 H new ATOM 0 HA LEU A 112 -15.519 -7.581 3.107 1.00 3.87 H new ATOM 0 HB2 LEU A 112 -15.014 -8.169 0.605 1.00 4.14 H new ATOM 0 HB3 LEU A 112 -15.038 -9.841 1.129 1.00 4.14 H new ATOM 0 HG LEU A 112 -17.379 -9.560 1.904 1.00 4.72 H new ATOM 0 HD11 LEU A 112 -18.628 -7.539 1.244 1.00 5.33 H new ATOM 0 HD12 LEU A 112 -17.319 -7.159 2.388 1.00 5.33 H new ATOM 0 HD13 LEU A 112 -17.118 -6.803 0.656 1.00 5.33 H new ATOM 0 HD21 LEU A 112 -18.394 -9.425 -0.340 1.00 5.13 H new ATOM 0 HD22 LEU A 112 -16.876 -8.753 -0.982 1.00 5.13 H new ATOM 0 HD23 LEU A 112 -16.915 -10.414 -0.346 1.00 5.13 H new ATOM 1455 N ASN A 113 -14.381 -9.523 4.859 1.00 4.17 N ATOM 1456 CA ASN A 113 -14.461 -10.545 5.928 1.00 4.65 C ATOM 1457 C ASN A 113 -13.859 -11.885 5.485 1.00 4.52 C ATOM 1458 O ASN A 113 -13.560 -12.746 6.310 1.00 4.85 O ATOM 1459 CB ASN A 113 -15.919 -10.739 6.389 1.00 5.14 C ATOM 1460 CG ASN A 113 -16.090 -11.735 7.532 1.00 5.80 C ATOM 1461 OD1 ASN A 113 -17.087 -12.450 7.589 1.00 6.30 O ATOM 1462 ND2 ASN A 113 -15.144 -11.772 8.461 1.00 6.14 N ATOM 0 H ASN A 113 -13.713 -8.777 5.056 1.00 4.17 H new ATOM 0 HA ASN A 113 -13.871 -10.180 6.768 1.00 4.65 H new ATOM 0 HB2 ASN A 113 -16.320 -9.775 6.700 1.00 5.14 H new ATOM 0 HB3 ASN A 113 -16.515 -11.073 5.540 1.00 5.14 H new ATOM 0 HD21 ASN A 113 -15.232 -12.408 9.253 1.00 6.14 H new ATOM 0 HD22 ASN A 113 -14.329 -11.164 8.383 1.00 6.14 H new ATOM 1469 N LYS A 114 -13.630 -11.999 4.174 1.00 4.52 N ATOM 1470 CA LYS A 114 -13.256 -13.246 3.506 1.00 4.85 C ATOM 1471 C LYS A 114 -14.458 -14.189 3.507 1.00 5.78 C ATOM 1472 O LYS A 114 -14.954 -14.584 4.557 1.00 6.19 O ATOM 1473 CB LYS A 114 -11.982 -13.892 4.122 1.00 4.78 C ATOM 1474 CG LYS A 114 -12.231 -15.051 5.091 1.00 5.11 C ATOM 1475 CD LYS A 114 -10.969 -15.486 5.815 1.00 5.22 C ATOM 1476 CE LYS A 114 -10.427 -14.371 6.696 1.00 6.07 C ATOM 1477 NZ LYS A 114 -11.424 -13.885 7.703 1.00 6.75 N ATOM 0 H LYS A 114 -13.701 -11.208 3.534 1.00 4.52 H new ATOM 0 HA LYS A 114 -12.986 -13.028 2.473 1.00 4.85 H new ATOM 0 HB2 LYS A 114 -11.349 -14.250 3.310 1.00 4.78 H new ATOM 0 HB3 LYS A 114 -11.421 -13.118 4.646 1.00 4.78 H new ATOM 0 HG2 LYS A 114 -12.982 -14.753 5.823 1.00 5.11 H new ATOM 0 HG3 LYS A 114 -12.641 -15.898 4.541 1.00 5.11 H new ATOM 0 HD2 LYS A 114 -11.181 -16.364 6.425 1.00 5.22 H new ATOM 0 HD3 LYS A 114 -10.212 -15.779 5.087 1.00 5.22 H new ATOM 0 HE2 LYS A 114 -9.537 -14.726 7.216 1.00 6.07 H new ATOM 0 HE3 LYS A 114 -10.117 -13.536 6.067 1.00 6.07 H new ATOM 0 HZ1 LYS A 114 -10.960 -13.225 8.360 1.00 6.75 H new ATOM 0 HZ2 LYS A 114 -12.202 -13.397 7.214 1.00 6.75 H new ATOM 0 HZ3 LYS A 114 -11.803 -14.694 8.235 1.00 6.75 H new ATOM 1491 N PRO A 115 -14.997 -14.488 2.316 1.00 6.36 N ATOM 1492 CA PRO A 115 -16.163 -15.360 2.182 1.00 7.42 C ATOM 1493 C PRO A 115 -15.953 -16.706 2.872 1.00 8.03 C ATOM 1494 O PRO A 115 -15.108 -17.500 2.454 1.00 8.08 O ATOM 1495 CB PRO A 115 -16.311 -15.532 0.668 1.00 7.93 C ATOM 1496 CG PRO A 115 -15.658 -14.327 0.083 1.00 7.30 C ATOM 1497 CD PRO A 115 -14.527 -13.988 1.010 1.00 6.27 C ATOM 0 HA PRO A 115 -17.051 -14.939 2.654 1.00 7.42 H new ATOM 0 HB2 PRO A 115 -15.830 -16.448 0.325 1.00 7.93 H new ATOM 0 HB3 PRO A 115 -17.360 -15.594 0.377 1.00 7.93 H new ATOM 0 HG2 PRO A 115 -15.292 -14.530 -0.924 1.00 7.30 H new ATOM 0 HG3 PRO A 115 -16.362 -13.499 0.005 1.00 7.30 H new ATOM 0 HD2 PRO A 115 -13.598 -14.471 0.705 1.00 6.27 H new ATOM 0 HD3 PRO A 115 -14.335 -12.915 1.035 1.00 6.27 H new ATOM 1505 N PRO A 116 -16.690 -16.958 3.964 1.00 8.68 N ATOM 1506 CA PRO A 116 -16.557 -18.179 4.750 1.00 9.51 C ATOM 1507 C PRO A 116 -17.254 -19.372 4.115 1.00 10.48 C ATOM 1508 O PRO A 116 -17.416 -19.435 2.898 1.00 10.92 O ATOM 1509 CB PRO A 116 -17.219 -17.833 6.094 1.00 9.98 C ATOM 1510 CG PRO A 116 -17.559 -16.381 6.014 1.00 9.58 C ATOM 1511 CD PRO A 116 -17.688 -16.065 4.551 1.00 8.87 C ATOM 0 HA PRO A 116 -15.512 -18.475 4.838 1.00 9.51 H new ATOM 0 HB2 PRO A 116 -18.112 -18.436 6.257 1.00 9.98 H new ATOM 0 HB3 PRO A 116 -16.544 -18.032 6.926 1.00 9.98 H new ATOM 0 HG2 PRO A 116 -18.488 -16.168 6.542 1.00 9.58 H new ATOM 0 HG3 PRO A 116 -16.782 -15.772 6.477 1.00 9.58 H new ATOM 0 HD2 PRO A 116 -18.691 -16.269 4.175 1.00 8.87 H new ATOM 0 HD3 PRO A 116 -17.475 -15.017 4.338 1.00 8.87 H new ATOM 1519 N GLU A 117 -17.684 -20.309 4.944 1.00 10.96 N ATOM 1520 CA GLU A 117 -18.256 -21.543 4.453 1.00 11.99 C ATOM 1521 C GLU A 117 -19.783 -21.464 4.476 1.00 12.68 C ATOM 1522 O GLU A 117 -20.355 -20.463 4.915 1.00 12.96 O ATOM 1523 CB GLU A 117 -17.735 -22.713 5.299 1.00 12.67 C ATOM 1524 CG GLU A 117 -17.816 -24.067 4.615 1.00 13.04 C ATOM 1525 CD GLU A 117 -16.971 -25.120 5.311 1.00 13.71 C ATOM 1526 OE1 GLU A 117 -16.511 -24.871 6.450 1.00 13.79 O ATOM 1527 OE2 GLU A 117 -16.736 -26.184 4.706 1.00 14.28 O ATOM 0 H GLU A 117 -17.646 -20.234 5.961 1.00 10.96 H new ATOM 0 HA GLU A 117 -17.955 -21.706 3.418 1.00 11.99 H new ATOM 0 HB2 GLU A 117 -16.697 -22.517 5.568 1.00 12.67 H new ATOM 0 HB3 GLU A 117 -18.303 -22.755 6.228 1.00 12.67 H new ATOM 0 HG2 GLU A 117 -18.855 -24.397 4.590 1.00 13.04 H new ATOM 0 HG3 GLU A 117 -17.488 -23.968 3.580 1.00 13.04 H new ATOM 1534 N THR A 118 -20.440 -22.498 3.992 1.00 13.09 N ATOM 1535 CA THR A 118 -21.887 -22.566 4.030 1.00 13.91 C ATOM 1536 C THR A 118 -22.311 -23.803 4.819 1.00 14.25 C ATOM 1537 O THR A 118 -21.664 -24.844 4.725 1.00 14.32 O ATOM 1538 CB THR A 118 -22.468 -22.627 2.603 1.00 14.52 C ATOM 1539 OG1 THR A 118 -21.967 -21.523 1.831 1.00 14.48 O ATOM 1540 CG2 THR A 118 -23.996 -22.589 2.624 1.00 14.97 C ATOM 0 H THR A 118 -19.991 -23.308 3.565 1.00 13.09 H new ATOM 0 HA THR A 118 -22.271 -21.669 4.516 1.00 13.91 H new ATOM 0 HB THR A 118 -22.158 -23.568 2.149 1.00 14.52 H new ATOM 0 HG1 THR A 118 -22.336 -21.564 0.924 1.00 14.48 H new ATOM 0 HG21 THR A 118 -24.375 -22.633 1.603 1.00 14.97 H new ATOM 0 HG22 THR A 118 -24.373 -23.441 3.189 1.00 14.97 H new ATOM 0 HG23 THR A 118 -24.331 -21.665 3.095 1.00 14.97 H new ATOM 1548 N LEU A 119 -23.379 -23.690 5.601 1.00 14.62 N ATOM 1549 CA LEU A 119 -23.820 -24.803 6.440 1.00 15.15 C ATOM 1550 C LEU A 119 -25.225 -25.252 6.054 1.00 15.86 C ATOM 1551 O LEU A 119 -25.880 -24.614 5.225 1.00 16.21 O ATOM 1552 CB LEU A 119 -23.773 -24.418 7.924 1.00 15.53 C ATOM 1553 CG LEU A 119 -22.391 -24.008 8.445 1.00 15.30 C ATOM 1554 CD1 LEU A 119 -22.501 -23.418 9.843 1.00 15.43 C ATOM 1555 CD2 LEU A 119 -21.448 -25.203 8.445 1.00 15.51 C ATOM 0 H LEU A 119 -23.952 -22.849 5.673 1.00 14.62 H new ATOM 0 HA LEU A 119 -23.136 -25.636 6.277 1.00 15.15 H new ATOM 0 HB2 LEU A 119 -24.467 -23.594 8.092 1.00 15.53 H new ATOM 0 HB3 LEU A 119 -24.131 -25.262 8.514 1.00 15.53 H new ATOM 0 HG LEU A 119 -21.984 -23.245 7.781 1.00 15.30 H new ATOM 0 HD11 LEU A 119 -21.510 -23.133 10.197 1.00 15.43 H new ATOM 0 HD12 LEU A 119 -23.144 -22.538 9.817 1.00 15.43 H new ATOM 0 HD13 LEU A 119 -22.928 -24.160 10.518 1.00 15.43 H new ATOM 0 HD21 LEU A 119 -20.471 -24.895 8.818 1.00 15.51 H new ATOM 0 HD22 LEU A 119 -21.852 -25.985 9.088 1.00 15.51 H new ATOM 0 HD23 LEU A 119 -21.345 -25.585 7.429 1.00 15.51 H new ATOM 1567 N ILE A 120 -25.686 -26.343 6.657 1.00 16.20 N ATOM 1568 CA ILE A 120 -27.009 -26.878 6.361 1.00 17.02 C ATOM 1569 C ILE A 120 -28.058 -26.315 7.315 1.00 17.51 C ATOM 1570 O ILE A 120 -27.859 -26.290 8.530 1.00 17.80 O ATOM 1571 CB ILE A 120 -27.032 -28.416 6.461 1.00 17.69 C ATOM 1572 CG1 ILE A 120 -25.879 -29.011 5.655 1.00 17.88 C ATOM 1573 CG2 ILE A 120 -28.372 -28.954 5.970 1.00 18.24 C ATOM 1574 CD1 ILE A 120 -25.737 -30.511 5.811 1.00 18.20 C ATOM 0 H ILE A 120 -25.163 -26.873 7.353 1.00 16.20 H new ATOM 0 HA ILE A 120 -27.244 -26.579 5.339 1.00 17.02 H new ATOM 0 HB ILE A 120 -26.908 -28.707 7.504 1.00 17.69 H new ATOM 0 HG12 ILE A 120 -26.026 -28.777 4.601 1.00 17.88 H new ATOM 0 HG13 ILE A 120 -24.949 -28.533 5.961 1.00 17.88 H new ATOM 0 HG21 ILE A 120 -28.377 -30.041 6.045 1.00 18.24 H new ATOM 0 HG22 ILE A 120 -29.175 -28.544 6.583 1.00 18.24 H new ATOM 0 HG23 ILE A 120 -28.523 -28.661 4.931 1.00 18.24 H new ATOM 0 HD11 ILE A 120 -24.898 -30.862 5.210 1.00 18.20 H new ATOM 0 HD12 ILE A 120 -25.559 -30.753 6.859 1.00 18.20 H new ATOM 0 HD13 ILE A 120 -26.652 -31.000 5.477 1.00 18.20 H new ATOM 1586 N THR A 121 -29.175 -25.867 6.764 1.00 17.74 N ATOM 1587 CA THR A 121 -30.289 -25.419 7.580 1.00 18.36 C ATOM 1588 C THR A 121 -31.311 -26.555 7.732 1.00 19.19 C ATOM 1589 O THR A 121 -32.421 -26.497 7.200 1.00 19.58 O ATOM 1590 CB THR A 121 -30.939 -24.118 7.023 1.00 18.34 C ATOM 1591 OG1 THR A 121 -32.135 -23.798 7.742 1.00 18.55 O ATOM 1592 CG2 THR A 121 -31.232 -24.216 5.531 1.00 18.03 C ATOM 0 H THR A 121 -29.333 -25.805 5.758 1.00 17.74 H new ATOM 0 HA THR A 121 -29.909 -25.162 8.569 1.00 18.36 H new ATOM 0 HB THR A 121 -30.215 -23.316 7.165 1.00 18.34 H new ATOM 0 HG1 THR A 121 -32.752 -24.558 7.705 1.00 18.55 H new ATOM 0 HG21 THR A 121 -31.685 -23.286 5.187 1.00 18.03 H new ATOM 0 HG22 THR A 121 -30.303 -24.390 4.988 1.00 18.03 H new ATOM 0 HG23 THR A 121 -31.919 -25.043 5.349 1.00 18.03 H new ATOM 1600 N THR A 122 -30.898 -27.598 8.461 1.00 19.55 N ATOM 1601 CA THR A 122 -31.737 -28.768 8.731 1.00 20.46 C ATOM 1602 C THR A 122 -31.896 -29.645 7.483 1.00 21.12 C ATOM 1603 O THR A 122 -31.195 -30.648 7.330 1.00 21.25 O ATOM 1604 CB THR A 122 -33.125 -28.343 9.271 1.00 20.60 C ATOM 1605 OG1 THR A 122 -32.960 -27.389 10.326 1.00 20.58 O ATOM 1606 CG2 THR A 122 -33.913 -29.532 9.801 1.00 20.60 C ATOM 0 H THR A 122 -29.970 -27.653 8.881 1.00 19.55 H new ATOM 0 HA THR A 122 -31.234 -29.359 9.496 1.00 20.46 H new ATOM 0 HB THR A 122 -33.681 -27.905 8.442 1.00 20.60 H new ATOM 0 HG1 THR A 122 -33.840 -27.120 10.665 1.00 20.58 H new ATOM 0 HG21 THR A 122 -34.880 -29.192 10.171 1.00 20.60 H new ATOM 0 HG22 THR A 122 -34.065 -30.255 8.999 1.00 20.60 H new ATOM 0 HG23 THR A 122 -33.359 -30.002 10.614 1.00 20.60 H new ATOM 1614 N ILE A 123 -32.779 -29.245 6.574 1.00 21.64 N ATOM 1615 CA ILE A 123 -33.060 -30.037 5.380 1.00 22.40 C ATOM 1616 C ILE A 123 -33.038 -29.138 4.149 1.00 22.78 C ATOM 1617 O ILE A 123 -32.069 -29.124 3.391 1.00 22.98 O ATOM 1618 CB ILE A 123 -34.432 -30.753 5.446 1.00 23.08 C ATOM 1619 CG1 ILE A 123 -34.605 -31.508 6.763 1.00 23.05 C ATOM 1620 CG2 ILE A 123 -34.574 -31.714 4.272 1.00 23.52 C ATOM 1621 CD1 ILE A 123 -35.966 -32.148 6.901 1.00 23.60 C ATOM 0 H ILE A 123 -33.312 -28.378 6.640 1.00 21.64 H new ATOM 0 HA ILE A 123 -32.285 -30.801 5.320 1.00 22.40 H new ATOM 0 HB ILE A 123 -35.211 -29.993 5.390 1.00 23.08 H new ATOM 0 HG12 ILE A 123 -33.838 -32.279 6.837 1.00 23.05 H new ATOM 0 HG13 ILE A 123 -34.447 -30.820 7.594 1.00 23.05 H new ATOM 0 HG21 ILE A 123 -35.541 -32.214 4.326 1.00 23.52 H new ATOM 0 HG22 ILE A 123 -34.504 -31.159 3.337 1.00 23.52 H new ATOM 0 HG23 ILE A 123 -33.779 -32.458 4.313 1.00 23.52 H new ATOM 0 HD11 ILE A 123 -36.028 -32.669 7.856 1.00 23.60 H new ATOM 0 HD12 ILE A 123 -36.736 -31.378 6.857 1.00 23.60 H new ATOM 0 HD13 ILE A 123 -36.118 -32.859 6.089 1.00 23.60 H new ATOM 1633 N ASP A 124 -34.112 -28.386 3.960 1.00 22.96 N ATOM 1634 CA ASP A 124 -34.164 -27.380 2.914 1.00 23.43 C ATOM 1635 C ASP A 124 -34.313 -26.021 3.562 1.00 23.78 C ATOM 1636 O ASP A 124 -33.871 -25.822 4.692 1.00 23.78 O ATOM 1637 CB ASP A 124 -35.326 -27.628 1.940 1.00 23.94 C ATOM 1638 CG ASP A 124 -35.121 -28.838 1.054 1.00 24.17 C ATOM 1639 OD1 ASP A 124 -34.208 -28.806 0.200 1.00 24.20 O ATOM 1640 OD2 ASP A 124 -35.896 -29.808 1.179 1.00 24.41 O ATOM 0 H ASP A 124 -34.961 -28.455 4.521 1.00 22.96 H new ATOM 0 HA ASP A 124 -33.242 -27.430 2.335 1.00 23.43 H new ATOM 0 HB2 ASP A 124 -36.247 -27.756 2.510 1.00 23.94 H new ATOM 0 HB3 ASP A 124 -35.459 -26.746 1.313 1.00 23.94 H new ATOM 1645 N SER A 125 -34.931 -25.088 2.866 1.00 24.16 N ATOM 1646 CA SER A 125 -35.144 -23.768 3.416 1.00 24.63 C ATOM 1647 C SER A 125 -36.419 -23.742 4.258 1.00 24.84 C ATOM 1648 O SER A 125 -36.970 -24.798 4.588 1.00 25.03 O ATOM 1649 CB SER A 125 -35.191 -22.745 2.282 1.00 25.24 C ATOM 1650 OG SER A 125 -36.212 -23.051 1.345 1.00 25.57 O ATOM 0 H SER A 125 -35.293 -25.220 1.922 1.00 24.16 H new ATOM 0 HA SER A 125 -34.316 -23.507 4.075 1.00 24.63 H new ATOM 0 HB2 SER A 125 -35.361 -21.751 2.695 1.00 25.24 H new ATOM 0 HB3 SER A 125 -34.227 -22.719 1.775 1.00 25.24 H new ATOM 0 HG SER A 125 -36.645 -22.223 1.051 1.00 25.57 H new ATOM 1656 N SER A 126 -36.878 -22.558 4.621 1.00 24.89 N ATOM 1657 CA SER A 126 -38.111 -22.427 5.384 1.00 25.18 C ATOM 1658 C SER A 126 -39.216 -21.840 4.494 1.00 25.41 C ATOM 1659 O SER A 126 -39.453 -22.335 3.388 1.00 25.51 O ATOM 1660 CB SER A 126 -37.851 -21.547 6.607 1.00 25.59 C ATOM 1661 OG SER A 126 -36.703 -21.998 7.303 1.00 25.84 O ATOM 0 H SER A 126 -36.419 -21.674 4.402 1.00 24.89 H new ATOM 0 HA SER A 126 -38.446 -23.406 5.727 1.00 25.18 H new ATOM 0 HB2 SER A 126 -37.712 -20.512 6.295 1.00 25.59 H new ATOM 0 HB3 SER A 126 -38.717 -21.567 7.269 1.00 25.59 H new ATOM 0 HG SER A 126 -36.547 -21.425 8.083 1.00 25.84 H new ATOM 1667 N SER A 127 -39.909 -20.808 4.992 1.00 25.58 N ATOM 1668 CA SER A 127 -40.839 -20.024 4.187 1.00 25.89 C ATOM 1669 C SER A 127 -40.076 -19.313 3.071 1.00 26.06 C ATOM 1670 O SER A 127 -40.628 -18.975 2.022 1.00 26.48 O ATOM 1671 CB SER A 127 -41.547 -19.007 5.088 1.00 26.15 C ATOM 1672 OG SER A 127 -41.860 -19.592 6.342 1.00 26.55 O ATOM 0 H SER A 127 -39.837 -20.498 5.961 1.00 25.58 H new ATOM 0 HA SER A 127 -41.585 -20.678 3.735 1.00 25.89 H new ATOM 0 HB2 SER A 127 -40.909 -18.136 5.235 1.00 26.15 H new ATOM 0 HB3 SER A 127 -42.459 -18.656 4.605 1.00 26.15 H new ATOM 0 HG SER A 127 -42.310 -18.931 6.908 1.00 26.55 H new ATOM 1678 N SER A 128 -38.798 -19.084 3.329 1.00 25.83 N ATOM 1679 CA SER A 128 -37.878 -18.589 2.326 1.00 26.03 C ATOM 1680 C SER A 128 -36.867 -19.686 2.031 1.00 25.96 C ATOM 1681 O SER A 128 -35.994 -19.925 2.889 1.00 26.15 O ATOM 1682 CB SER A 128 -37.170 -17.322 2.816 1.00 26.24 C ATOM 1683 OG SER A 128 -36.394 -16.731 1.786 1.00 26.24 O ATOM 1684 OXT SER A 128 -36.973 -20.327 0.960 1.00 25.79 O ATOM 0 H SER A 128 -38.372 -19.238 4.243 1.00 25.83 H new ATOM 0 HA SER A 128 -38.423 -18.327 1.419 1.00 26.03 H new ATOM 0 HB2 SER A 128 -37.909 -16.605 3.173 1.00 26.24 H new ATOM 0 HB3 SER A 128 -36.528 -17.566 3.662 1.00 26.24 H new ATOM 0 HG SER A 128 -35.956 -15.924 2.128 1.00 26.24 H new TER 1690 SER A 128 HETATM 1691 FE HEM A 129 -5.746 13.843 -3.398 1.00 0.38 FE HETATM 1692 CHA HEM A 129 -6.339 16.512 -5.462 1.00 0.50 C HETATM 1693 CHB HEM A 129 -2.886 13.035 -5.233 1.00 0.41 C HETATM 1694 CHC HEM A 129 -5.201 11.038 -1.394 1.00 0.38 C HETATM 1695 CHD HEM A 129 -8.611 14.568 -1.553 1.00 0.47 C HETATM 1696 NA HEM A 129 -4.785 14.631 -5.050 1.00 0.41 N HETATM 1697 C1A HEM A 129 -5.245 15.696 -5.751 1.00 0.46 C HETATM 1698 C2A HEM A 129 -4.413 15.844 -6.922 1.00 0.49 C HETATM 1699 C3A HEM A 129 -3.349 14.974 -6.784 1.00 0.47 C HETATM 1700 C4A HEM A 129 -3.645 14.144 -5.631 1.00 0.42 C HETATM 1701 CMA HEM A 129 -2.118 14.881 -7.668 1.00 0.54 C HETATM 1702 CAA HEM A 129 -4.720 16.779 -8.067 1.00 0.58 C HETATM 1703 CBA HEM A 129 -5.965 16.641 -8.946 1.00 0.94 C HETATM 1704 CGA HEM A 129 -5.772 15.928 -10.284 1.00 1.22 C HETATM 1705 O1A HEM A 129 -5.333 16.630 -11.220 1.00 2.03 O HETATM 1706 O2A HEM A 129 -6.061 14.708 -10.366 1.00 1.18 O HETATM 1707 NB HEM A 129 -4.292 12.370 -3.285 1.00 0.36 N HETATM 1708 C1B HEM A 129 -3.201 12.272 -4.107 1.00 0.37 C HETATM 1709 C2B HEM A 129 -2.368 11.205 -3.611 1.00 0.37 C HETATM 1710 C3B HEM A 129 -3.066 10.600 -2.599 1.00 0.35 C HETATM 1711 C4B HEM A 129 -4.276 11.347 -2.371 1.00 0.35 C HETATM 1712 CMB HEM A 129 -1.003 10.866 -4.128 1.00 0.43 C HETATM 1713 CAB HEM A 129 -2.645 9.362 -1.820 1.00 0.38 C HETATM 1714 CBB HEM A 129 -3.232 8.157 -1.989 1.00 0.52 C HETATM 1715 NC HEM A 129 -6.722 12.973 -1.755 1.00 0.39 N HETATM 1716 C1C HEM A 129 -6.310 11.830 -1.120 1.00 0.40 C HETATM 1717 C2C HEM A 129 -7.250 11.537 -0.073 1.00 0.49 C HETATM 1718 C3C HEM A 129 -8.207 12.522 -0.114 1.00 0.47 C HETATM 1719 C4C HEM A 129 -7.877 13.439 -1.187 1.00 0.43 C HETATM 1720 CMC HEM A 129 -7.171 10.368 0.865 1.00 0.64 C HETATM 1721 CAC HEM A 129 -9.420 12.630 0.804 1.00 0.55 C HETATM 1722 CBC HEM A 129 -9.380 12.429 2.141 1.00 0.66 C HETATM 1723 ND HEM A 129 -7.211 15.273 -3.497 1.00 0.44 N HETATM 1724 C1D HEM A 129 -8.281 15.370 -2.655 1.00 0.47 C HETATM 1725 C2D HEM A 129 -9.078 16.485 -3.097 1.00 0.54 C HETATM 1726 C3D HEM A 129 -8.488 16.995 -4.238 1.00 0.55 C HETATM 1727 C4D HEM A 129 -7.259 16.251 -4.444 1.00 0.49 C HETATM 1728 CMD HEM A 129 -10.329 16.960 -2.407 1.00 0.62 C HETATM 1729 CAD HEM A 129 -9.010 18.111 -5.134 1.00 0.65 C HETATM 1730 CBD HEM A 129 -8.744 18.223 -6.642 1.00 1.49 C HETATM 1731 CGD HEM A 129 -9.832 17.553 -7.479 1.00 2.30 C HETATM 1732 O1D HEM A 129 -10.493 18.283 -8.250 1.00 3.20 O HETATM 1733 O2D HEM A 129 -9.983 16.318 -7.340 1.00 2.66 O HETATM 0 HMA1 HEM A 129 -1.274 14.522 -7.080 1.00 0.54 H new HETATM 0 HMA2 HEM A 129 -1.885 15.866 -8.072 1.00 0.54 H new HETATM 0 HMA3 HEM A 129 -2.310 14.188 -8.488 1.00 0.54 H new HETATM 0 HMB1 HEM A 129 -0.939 11.125 -5.185 1.00 0.43 H new HETATM 0 HMB2 HEM A 129 -0.822 9.798 -4.005 1.00 0.43 H new HETATM 0 HMB3 HEM A 129 -0.253 11.428 -3.571 1.00 0.43 H new HETATM 0 HMC1 HEM A 129 -6.682 9.532 0.365 1.00 0.64 H new HETATM 0 HMC2 HEM A 129 -8.177 10.073 1.164 1.00 0.64 H new HETATM 0 HMC3 HEM A 129 -6.597 10.648 1.748 1.00 0.64 H new HETATM 0 HMD1 HEM A 129 -10.442 18.034 -2.558 1.00 0.62 H new HETATM 0 HMD2 HEM A 129 -10.259 16.749 -1.340 1.00 0.62 H new HETATM 0 HMD3 HEM A 129 -11.193 16.442 -2.823 1.00 0.62 H new HETATM 0 HBB1 HEM A 129 -2.894 7.300 -1.407 1.00 0.52 H new HETATM 0 HBB2 HEM A 129 -4.043 8.042 -2.708 1.00 0.52 H new HETATM 0 HBC1 HEM A 129 -10.290 12.524 2.734 1.00 0.66 H new HETATM 0 HBC2 HEM A 129 -8.438 12.172 2.626 1.00 0.66 H new HETATM 0 HBA1 HEM A 129 -6.357 17.639 -9.143 1.00 0.94 H new HETATM 0 HBA2 HEM A 129 -6.727 16.105 -8.379 1.00 0.94 H new HETATM 0 HAA1 HEM A 129 -3.862 16.738 -8.738 1.00 0.58 H new HETATM 0 HAA2 HEM A 129 -4.748 17.784 -7.646 1.00 0.58 H new HETATM 0 HBD1 HEM A 129 -7.781 17.768 -6.873 1.00 1.49 H new HETATM 0 HBD2 HEM A 129 -8.674 19.275 -6.918 1.00 1.49 H new HETATM 0 HAD1 HEM A 129 -8.649 19.041 -4.696 1.00 0.65 H new HETATM 0 HAD2 HEM A 129 -10.094 18.105 -5.020 1.00 0.65 H new HETATM 0 HHA HEM A 129 -6.483 17.399 -6.061 1.00 0.50 H new HETATM 0 HHB HEM A 129 -2.023 12.760 -5.821 1.00 0.41 H new HETATM 0 HHC HEM A 129 -5.056 10.138 -0.815 1.00 0.38 H new HETATM 0 HHD HEM A 129 -9.473 14.836 -0.960 1.00 0.47 H new HETATM 0 HAB HEM A 129 -1.836 9.451 -1.095 1.00 0.38 H new HETATM 0 HAC HEM A 129 -10.380 12.885 0.354 1.00 0.55 H new