USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 804 hydrogens (0 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 Set 1.1: A 26 THR OG1 : rot 85:sc= 0.0736 USER MOD Set 1.2: A 38 THR OG1 : rot -67:sc= 0.931 USER MOD Set 2.1: A 23 SER OG : rot -160:sc= -0.0114 USER MOD Set 2.2: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 7 LYS NZ :NH3+ 160:sc= 1.29 (180deg=0.923) USER MOD Set 3.2: A 78 THR OG1 : rot -33:sc= 0.109 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0246 USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.133) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0825 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00514) USER MOD Single : A 20 HIS : no HE2:sc= -1.01 X(o=-1,f=-0.96) USER MOD Single : A 21 ASN : amide:sc= 0.681 K(o=0.68,f=-1.1) USER MOD Single : A 22 HIS : no HD1:sc= -0.0835 K(o=-0.083,f=-0.75) USER MOD Single : A 25 SER OG : rot 180:sc= -0.215 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.226 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.465 K(o=-0.47,f=-1.3) USER MOD Single : A 54 GLN : amide:sc= 0.615 K(o=0.62,f=-0.57) USER MOD Single : A 60 THR OG1 : rot 99:sc= 2.22 USER MOD Single : A 62 ASN : amide:sc= 0.267 X(o=0.27,f=0) USER MOD Single : A 68 HIS : no HE2:sc= 0.225 K(o=0.22,f=-0.78) USER MOD Single : A 69 SER OG : rot -91:sc= 0.0319 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 76 SER OG : rot 66:sc= 1.01 USER MOD Single : A 77 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.13) USER MOD Single : A 85 HIS : no HE2:sc= -0.882 K(o=-0.88,f=-5.4!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= -1.23 USER MOD Single : A 94 LYS NZ :NH3+ 136:sc= 2.08 (180deg=0.889!) USER MOD Single : A 96 MET CE :methyl 164:sc= -0.0215 (180deg=-0.236) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0178 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0822 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 17.736 -11.841 17.603 1.00 0.86 N ATOM 21 CA ALA A 2 16.812 -11.035 16.814 1.00 0.87 C ATOM 22 C ALA A 2 17.447 -10.619 15.493 1.00 0.72 C ATOM 23 O ALA A 2 17.899 -9.482 15.337 1.00 0.87 O ATOM 24 CB ALA A 2 16.363 -9.812 17.599 1.00 1.10 C ATOM 0 HA ALA A 2 15.935 -11.644 16.593 1.00 0.87 H new ATOM 0 HB1 ALA A 2 15.674 -9.224 16.993 1.00 1.10 H new ATOM 0 HB2 ALA A 2 15.861 -10.130 18.513 1.00 1.10 H new ATOM 0 HB3 ALA A 2 17.231 -9.205 17.854 1.00 1.10 H new ATOM 30 N ALA A 3 17.492 -11.554 14.554 1.00 0.71 N ATOM 31 CA ALA A 3 18.064 -11.304 13.238 1.00 0.72 C ATOM 32 C ALA A 3 17.431 -12.236 12.211 1.00 0.70 C ATOM 33 O ALA A 3 18.126 -12.939 11.475 1.00 1.05 O ATOM 34 CB ALA A 3 19.580 -11.481 13.270 1.00 0.96 C ATOM 0 H ALA A 3 17.136 -12.501 14.681 1.00 0.71 H new ATOM 0 HA ALA A 3 17.852 -10.274 12.951 1.00 0.72 H new ATOM 0 HB1 ALA A 3 19.990 -11.290 12.278 1.00 0.96 H new ATOM 0 HB2 ALA A 3 20.013 -10.779 13.983 1.00 0.96 H new ATOM 0 HB3 ALA A 3 19.821 -12.500 13.572 1.00 0.96 H new ATOM 40 N GLN A 4 16.107 -12.235 12.166 1.00 0.66 N ATOM 41 CA GLN A 4 15.371 -13.087 11.243 1.00 0.68 C ATOM 42 C GLN A 4 15.081 -12.354 9.939 1.00 0.66 C ATOM 43 O GLN A 4 15.154 -11.127 9.872 1.00 0.81 O ATOM 44 CB GLN A 4 14.057 -13.552 11.875 1.00 0.83 C ATOM 45 CG GLN A 4 13.132 -12.411 12.269 1.00 0.97 C ATOM 46 CD GLN A 4 11.714 -12.873 12.539 1.00 1.33 C ATOM 47 OE1 GLN A 4 11.481 -14.016 12.934 1.00 1.79 O ATOM 48 NE2 GLN A 4 10.757 -11.984 12.335 1.00 1.63 N ATOM 0 H GLN A 4 15.518 -11.651 12.760 1.00 0.66 H new ATOM 0 HA GLN A 4 15.991 -13.957 11.025 1.00 0.68 H new ATOM 0 HB2 GLN A 4 13.537 -14.204 11.173 1.00 0.83 H new ATOM 0 HB3 GLN A 4 14.280 -14.149 12.759 1.00 0.83 H new ATOM 0 HG2 GLN A 4 13.526 -11.921 13.159 1.00 0.97 H new ATOM 0 HG3 GLN A 4 13.122 -11.666 11.473 1.00 0.97 H new ATOM 0 HE21 GLN A 4 10.993 -11.047 12.007 1.00 1.63 H new ATOM 0 HE22 GLN A 4 9.783 -12.235 12.505 1.00 1.63 H new ATOM 57 N SER A 5 14.764 -13.112 8.904 1.00 0.71 N ATOM 58 CA SER A 5 14.448 -12.545 7.604 1.00 0.76 C ATOM 59 C SER A 5 13.399 -13.400 6.902 1.00 0.73 C ATOM 60 O SER A 5 13.649 -14.555 6.559 1.00 1.11 O ATOM 61 CB SER A 5 15.716 -12.437 6.754 1.00 0.98 C ATOM 62 OG SER A 5 16.738 -11.739 7.455 1.00 1.18 O ATOM 0 H SER A 5 14.718 -14.130 8.939 1.00 0.71 H new ATOM 0 HA SER A 5 14.041 -11.543 7.742 1.00 0.76 H new ATOM 0 HB2 SER A 5 16.067 -13.434 6.489 1.00 0.98 H new ATOM 0 HB3 SER A 5 15.491 -11.920 5.821 1.00 0.98 H new ATOM 0 HG SER A 5 17.540 -11.683 6.894 1.00 1.18 H new ATOM 68 N ASP A 6 12.215 -12.835 6.719 1.00 0.62 N ATOM 69 CA ASP A 6 11.119 -13.539 6.070 1.00 0.68 C ATOM 70 C ASP A 6 10.688 -12.799 4.812 1.00 0.58 C ATOM 71 O ASP A 6 10.859 -11.583 4.712 1.00 0.80 O ATOM 72 CB ASP A 6 9.934 -13.670 7.030 1.00 0.89 C ATOM 73 CG ASP A 6 8.774 -14.434 6.425 1.00 1.54 C ATOM 74 OD1 ASP A 6 8.803 -15.683 6.447 1.00 2.18 O ATOM 75 OD2 ASP A 6 7.828 -13.785 5.929 1.00 1.98 O ATOM 0 H ASP A 6 11.988 -11.885 7.013 1.00 0.62 H new ATOM 0 HA ASP A 6 11.462 -14.536 5.792 1.00 0.68 H new ATOM 0 HB2 ASP A 6 10.262 -14.175 7.939 1.00 0.89 H new ATOM 0 HB3 ASP A 6 9.596 -12.676 7.322 1.00 0.89 H new ATOM 80 N LYS A 7 10.150 -13.534 3.849 1.00 0.54 N ATOM 81 CA LYS A 7 9.690 -12.948 2.597 1.00 0.58 C ATOM 82 C LYS A 7 8.445 -13.670 2.089 1.00 0.53 C ATOM 83 O LYS A 7 8.312 -13.921 0.889 1.00 0.85 O ATOM 84 CB LYS A 7 10.793 -13.018 1.534 1.00 0.81 C ATOM 85 CG LYS A 7 11.908 -12.001 1.732 1.00 1.05 C ATOM 86 CD LYS A 7 11.481 -10.604 1.307 1.00 1.24 C ATOM 87 CE LYS A 7 12.279 -9.533 2.033 1.00 1.58 C ATOM 88 NZ LYS A 7 11.793 -9.319 3.425 1.00 1.91 N ATOM 0 H LYS A 7 10.021 -14.544 3.911 1.00 0.54 H new ATOM 0 HA LYS A 7 9.441 -11.904 2.786 1.00 0.58 H new ATOM 0 HB2 LYS A 7 11.224 -14.019 1.537 1.00 0.81 H new ATOM 0 HB3 LYS A 7 10.347 -12.866 0.551 1.00 0.81 H new ATOM 0 HG2 LYS A 7 12.205 -11.987 2.781 1.00 1.05 H new ATOM 0 HG3 LYS A 7 12.783 -12.304 1.157 1.00 1.05 H new ATOM 0 HD2 LYS A 7 11.615 -10.493 0.231 1.00 1.24 H new ATOM 0 HD3 LYS A 7 10.419 -10.469 1.511 1.00 1.24 H new ATOM 0 HE2 LYS A 7 13.331 -9.819 2.057 1.00 1.58 H new ATOM 0 HE3 LYS A 7 12.215 -8.596 1.479 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 12.537 -8.856 3.985 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 10.946 -8.715 3.408 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 11.556 -10.236 3.855 1.00 1.91 H new ATOM 102 N ASP A 8 7.539 -14.012 2.996 1.00 0.50 N ATOM 103 CA ASP A 8 6.315 -14.707 2.609 1.00 0.54 C ATOM 104 C ASP A 8 5.284 -13.725 2.068 1.00 0.51 C ATOM 105 O ASP A 8 5.257 -12.556 2.454 1.00 0.83 O ATOM 106 CB ASP A 8 5.731 -15.492 3.785 1.00 0.75 C ATOM 107 CG ASP A 8 4.705 -16.518 3.335 1.00 1.00 C ATOM 108 OD1 ASP A 8 4.773 -16.953 2.164 1.00 1.72 O ATOM 109 OD2 ASP A 8 3.833 -16.896 4.147 1.00 1.44 O ATOM 0 H ASP A 8 7.625 -13.823 3.995 1.00 0.50 H new ATOM 0 HA ASP A 8 6.571 -15.414 1.820 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.536 -15.996 4.319 1.00 0.75 H new ATOM 0 HB3 ASP A 8 5.267 -14.800 4.487 1.00 0.75 H new ATOM 114 N VAL A 9 4.442 -14.204 1.168 1.00 0.39 N ATOM 115 CA VAL A 9 3.413 -13.378 0.564 1.00 0.35 C ATOM 116 C VAL A 9 2.050 -13.688 1.177 1.00 0.33 C ATOM 117 O VAL A 9 1.544 -14.807 1.072 1.00 0.44 O ATOM 118 CB VAL A 9 3.374 -13.571 -0.974 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.457 -15.042 -1.350 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.132 -12.943 -1.581 1.00 0.47 C ATOM 0 H VAL A 9 4.452 -15.169 0.838 1.00 0.39 H new ATOM 0 HA VAL A 9 3.656 -12.335 0.766 1.00 0.35 H new ATOM 0 HB VAL A 9 4.248 -13.063 -1.382 1.00 0.44 H new ATOM 0 HG11 VAL A 9 3.427 -15.142 -2.435 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.389 -15.462 -0.972 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.614 -15.577 -0.913 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.137 -13.097 -2.660 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.243 -13.406 -1.152 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.123 -11.874 -1.367 1.00 0.47 H new ATOM 130 N LYS A 10 1.481 -12.709 1.858 1.00 0.30 N ATOM 131 CA LYS A 10 0.177 -12.878 2.473 1.00 0.34 C ATOM 132 C LYS A 10 -0.882 -12.139 1.667 1.00 0.34 C ATOM 133 O LYS A 10 -0.778 -10.933 1.453 1.00 0.48 O ATOM 134 CB LYS A 10 0.198 -12.360 3.911 1.00 0.42 C ATOM 135 CG LYS A 10 -0.966 -12.855 4.757 1.00 0.93 C ATOM 136 CD LYS A 10 -1.054 -12.109 6.080 1.00 0.98 C ATOM 137 CE LYS A 10 -1.821 -12.899 7.129 1.00 1.27 C ATOM 138 NZ LYS A 10 -3.140 -13.368 6.631 1.00 1.97 N ATOM 0 H LYS A 10 1.901 -11.790 1.999 1.00 0.30 H new ATOM 0 HA LYS A 10 -0.067 -13.940 2.487 1.00 0.34 H new ATOM 0 HB2 LYS A 10 1.133 -12.662 4.383 1.00 0.42 H new ATOM 0 HB3 LYS A 10 0.187 -11.270 3.895 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -1.897 -12.729 4.205 1.00 0.93 H new ATOM 0 HG3 LYS A 10 -0.850 -13.922 4.947 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -0.049 -11.901 6.446 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -1.542 -11.147 5.922 1.00 0.98 H new ATOM 0 HE2 LYS A 10 -1.226 -13.758 7.440 1.00 1.27 H new ATOM 0 HE3 LYS A 10 -1.969 -12.277 8.012 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 -3.701 -13.735 7.426 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -3.646 -12.575 6.188 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 -2.998 -14.123 5.930 1.00 1.97 H new ATOM 152 N TYR A 11 -1.891 -12.862 1.204 1.00 0.34 N ATOM 153 CA TYR A 11 -2.959 -12.256 0.424 1.00 0.35 C ATOM 154 C TYR A 11 -3.915 -11.492 1.328 1.00 0.33 C ATOM 155 O TYR A 11 -4.405 -12.023 2.327 1.00 0.39 O ATOM 156 CB TYR A 11 -3.715 -13.318 -0.376 1.00 0.43 C ATOM 157 CG TYR A 11 -3.009 -13.724 -1.649 1.00 0.50 C ATOM 158 CD1 TYR A 11 -2.774 -12.799 -2.659 1.00 0.81 C ATOM 159 CD2 TYR A 11 -2.579 -15.027 -1.843 1.00 0.85 C ATOM 160 CE1 TYR A 11 -2.127 -13.162 -3.822 1.00 0.95 C ATOM 161 CE2 TYR A 11 -1.931 -15.399 -3.005 1.00 0.96 C ATOM 162 CZ TYR A 11 -1.708 -14.464 -3.990 1.00 0.83 C ATOM 163 OH TYR A 11 -1.061 -14.833 -5.147 1.00 1.03 O ATOM 0 H TYR A 11 -1.992 -13.866 1.354 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.510 -11.553 -0.278 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.858 -14.200 0.249 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.706 -12.939 -0.624 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -3.104 -11.778 -2.531 1.00 0.81 H new ATOM 0 HD2 TYR A 11 -2.753 -15.764 -1.073 1.00 0.85 H new ATOM 0 HE1 TYR A 11 -1.950 -12.430 -4.596 1.00 0.95 H new ATOM 0 HE2 TYR A 11 -1.601 -16.418 -3.140 1.00 0.96 H new ATOM 0 HH TYR A 11 -0.832 -15.785 -5.104 1.00 1.03 H new ATOM 173 N TYR A 12 -4.164 -10.240 0.981 1.00 0.37 N ATOM 174 CA TYR A 12 -5.057 -9.392 1.756 1.00 0.41 C ATOM 175 C TYR A 12 -6.287 -9.011 0.943 1.00 0.42 C ATOM 176 O TYR A 12 -6.245 -8.976 -0.288 1.00 0.45 O ATOM 177 CB TYR A 12 -4.330 -8.122 2.208 1.00 0.45 C ATOM 178 CG TYR A 12 -3.482 -8.307 3.445 1.00 0.51 C ATOM 179 CD1 TYR A 12 -4.055 -8.271 4.707 1.00 0.77 C ATOM 180 CD2 TYR A 12 -2.113 -8.514 3.352 1.00 0.70 C ATOM 181 CE1 TYR A 12 -3.291 -8.434 5.843 1.00 0.91 C ATOM 182 CE2 TYR A 12 -1.340 -8.678 4.484 1.00 0.82 C ATOM 183 CZ TYR A 12 -1.935 -8.639 5.727 1.00 0.82 C ATOM 184 OH TYR A 12 -1.170 -8.798 6.859 1.00 1.02 O ATOM 0 H TYR A 12 -3.758 -9.786 0.163 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.376 -9.956 2.632 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -3.696 -7.770 1.395 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.067 -7.342 2.398 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -5.119 -8.112 4.802 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -1.645 -8.547 2.379 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -3.754 -8.401 6.818 1.00 0.91 H new ATOM 0 HE2 TYR A 12 -0.275 -8.836 4.396 1.00 0.82 H new ATOM 0 HH TYR A 12 -0.233 -8.934 6.604 1.00 1.02 H new ATOM 194 N THR A 13 -7.389 -8.757 1.638 1.00 0.47 N ATOM 195 CA THR A 13 -8.627 -8.357 0.993 1.00 0.51 C ATOM 196 C THR A 13 -8.614 -6.855 0.730 1.00 0.47 C ATOM 197 O THR A 13 -7.940 -6.103 1.441 1.00 0.46 O ATOM 198 CB THR A 13 -9.843 -8.717 1.869 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.399 -9.353 3.077 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.802 -9.637 1.125 1.00 0.86 C ATOM 0 H THR A 13 -7.447 -8.822 2.654 1.00 0.47 H new ATOM 0 HA THR A 13 -8.708 -8.893 0.047 1.00 0.51 H new ATOM 0 HB THR A 13 -10.373 -7.796 2.113 1.00 0.62 H new ATOM 0 HG1 THR A 13 -10.175 -9.579 3.632 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.650 -9.874 1.767 1.00 0.86 H new ATOM 0 HG22 THR A 13 -11.158 -9.139 0.223 1.00 0.86 H new ATOM 0 HG23 THR A 13 -10.285 -10.557 0.852 1.00 0.86 H new ATOM 208 N LEU A 14 -9.355 -6.421 -0.281 1.00 0.50 N ATOM 209 CA LEU A 14 -9.420 -5.007 -0.637 1.00 0.51 C ATOM 210 C LEU A 14 -9.944 -4.171 0.529 1.00 0.48 C ATOM 211 O LEU A 14 -9.369 -3.140 0.879 1.00 0.51 O ATOM 212 CB LEU A 14 -10.313 -4.816 -1.869 1.00 0.58 C ATOM 213 CG LEU A 14 -10.211 -3.447 -2.551 1.00 0.73 C ATOM 214 CD1 LEU A 14 -8.787 -3.187 -3.025 1.00 1.00 C ATOM 215 CD2 LEU A 14 -11.187 -3.361 -3.717 1.00 0.95 C ATOM 0 H LEU A 14 -9.922 -7.029 -0.872 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.411 -4.667 -0.871 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -10.064 -5.586 -2.599 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.350 -4.979 -1.574 1.00 0.58 H new ATOM 0 HG LEU A 14 -10.473 -2.680 -1.823 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -8.736 -2.210 -3.506 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.110 -3.206 -2.171 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -8.494 -3.958 -3.738 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -11.102 -2.383 -4.191 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -10.954 -4.138 -4.445 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.204 -3.500 -3.351 1.00 0.95 H new ATOM 227 N GLU A 15 -11.019 -4.637 1.149 1.00 0.50 N ATOM 228 CA GLU A 15 -11.627 -3.936 2.275 1.00 0.53 C ATOM 229 C GLU A 15 -10.750 -4.024 3.524 1.00 0.51 C ATOM 230 O GLU A 15 -10.951 -3.287 4.489 1.00 0.61 O ATOM 231 CB GLU A 15 -13.019 -4.503 2.572 1.00 0.61 C ATOM 232 CG GLU A 15 -13.046 -6.012 2.769 1.00 0.67 C ATOM 233 CD GLU A 15 -13.293 -6.766 1.479 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.352 -6.898 0.671 1.00 0.83 O ATOM 235 OE2 GLU A 15 -14.429 -7.229 1.264 1.00 1.05 O ATOM 0 H GLU A 15 -11.492 -5.503 0.890 1.00 0.50 H new ATOM 0 HA GLU A 15 -11.722 -2.886 1.998 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.411 -4.023 3.469 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.688 -4.242 1.752 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -12.098 -6.335 3.198 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -13.824 -6.266 3.488 1.00 0.67 H new ATOM 242 N GLU A 16 -9.778 -4.923 3.497 1.00 0.46 N ATOM 243 CA GLU A 16 -8.872 -5.105 4.622 1.00 0.50 C ATOM 244 C GLU A 16 -7.781 -4.041 4.607 1.00 0.46 C ATOM 245 O GLU A 16 -7.537 -3.369 5.611 1.00 0.51 O ATOM 246 CB GLU A 16 -8.257 -6.504 4.570 1.00 0.58 C ATOM 247 CG GLU A 16 -7.226 -6.781 5.654 1.00 1.05 C ATOM 248 CD GLU A 16 -7.765 -6.569 7.053 1.00 1.60 C ATOM 249 OE1 GLU A 16 -8.702 -7.295 7.451 1.00 2.19 O ATOM 250 OE2 GLU A 16 -7.242 -5.684 7.765 1.00 2.32 O ATOM 0 H GLU A 16 -9.596 -5.540 2.706 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.435 -5.001 5.549 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -9.056 -7.241 4.649 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -7.788 -6.645 3.596 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -6.874 -7.808 5.558 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -6.363 -6.133 5.501 1.00 1.05 H new ATOM 257 N ILE A 17 -7.142 -3.877 3.456 1.00 0.42 N ATOM 258 CA ILE A 17 -6.068 -2.903 3.315 1.00 0.44 C ATOM 259 C ILE A 17 -6.610 -1.478 3.240 1.00 0.43 C ATOM 260 O ILE A 17 -5.970 -0.538 3.712 1.00 0.48 O ATOM 261 CB ILE A 17 -5.184 -3.189 2.078 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.029 -3.329 0.806 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.356 -4.443 2.306 1.00 0.58 C ATOM 264 CD1 ILE A 17 -6.110 -2.060 -0.015 1.00 0.98 C ATOM 0 H ILE A 17 -7.348 -4.405 2.608 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.450 -2.998 4.208 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.514 -2.341 1.939 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -5.611 -4.124 0.189 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.037 -3.637 1.083 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -3.738 -4.635 1.429 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.717 -4.303 3.178 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.019 -5.291 2.475 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -6.724 -2.237 -0.898 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -6.556 -1.267 0.584 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -5.108 -1.762 -0.323 1.00 0.98 H new ATOM 276 N LYS A 18 -7.804 -1.325 2.675 1.00 0.42 N ATOM 277 CA LYS A 18 -8.417 -0.008 2.536 1.00 0.48 C ATOM 278 C LYS A 18 -8.874 0.529 3.894 1.00 0.50 C ATOM 279 O LYS A 18 -9.166 1.715 4.037 1.00 0.63 O ATOM 280 CB LYS A 18 -9.583 -0.066 1.531 1.00 0.56 C ATOM 281 CG LYS A 18 -10.970 0.041 2.151 1.00 0.53 C ATOM 282 CD LYS A 18 -11.622 1.375 1.820 1.00 0.87 C ATOM 283 CE LYS A 18 -11.935 1.491 0.337 1.00 1.05 C ATOM 284 NZ LYS A 18 -12.176 2.899 -0.071 1.00 1.48 N ATOM 0 H LYS A 18 -8.365 -2.094 2.307 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.670 0.684 2.148 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.461 0.741 0.808 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -9.520 -1.003 0.977 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -11.597 -0.773 1.787 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.897 -0.072 3.233 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.541 1.485 2.396 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -10.960 2.188 2.118 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -11.107 1.082 -0.242 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -12.814 0.890 0.104 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -12.386 2.934 -1.089 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -12.983 3.282 0.462 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -11.328 3.468 0.128 1.00 1.48 H new ATOM 298 N LYS A 19 -8.921 -0.350 4.887 1.00 0.47 N ATOM 299 CA LYS A 19 -9.326 0.037 6.232 1.00 0.53 C ATOM 300 C LYS A 19 -8.134 -0.052 7.180 1.00 0.54 C ATOM 301 O LYS A 19 -8.255 0.166 8.385 1.00 0.67 O ATOM 302 CB LYS A 19 -10.468 -0.862 6.719 1.00 0.60 C ATOM 303 CG LYS A 19 -11.276 -0.282 7.876 1.00 0.84 C ATOM 304 CD LYS A 19 -11.831 1.102 7.556 1.00 1.09 C ATOM 305 CE LYS A 19 -12.695 1.094 6.303 1.00 1.31 C ATOM 306 NZ LYS A 19 -13.943 0.310 6.492 1.00 1.68 N ATOM 0 H LYS A 19 -8.683 -1.337 4.786 1.00 0.47 H new ATOM 0 HA LYS A 19 -9.682 1.067 6.214 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -11.141 -1.059 5.884 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -10.053 -1.822 7.027 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -12.099 -0.955 8.115 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -10.645 -0.222 8.763 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -12.420 1.461 8.400 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -11.006 1.802 7.423 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -12.948 2.119 6.031 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -12.126 0.675 5.473 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -14.518 0.358 5.627 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -13.703 -0.682 6.693 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -14.483 0.704 7.289 1.00 1.68 H new ATOM 320 N HIS A 20 -6.977 -0.359 6.613 1.00 0.55 N ATOM 321 CA HIS A 20 -5.752 -0.492 7.383 1.00 0.59 C ATOM 322 C HIS A 20 -5.064 0.862 7.522 1.00 0.58 C ATOM 323 O HIS A 20 -4.213 1.054 8.387 1.00 0.66 O ATOM 324 CB HIS A 20 -4.818 -1.493 6.699 1.00 0.68 C ATOM 325 CG HIS A 20 -4.324 -2.577 7.604 1.00 0.74 C ATOM 326 ND1 HIS A 20 -5.047 -3.718 7.881 1.00 0.90 N ATOM 327 CD2 HIS A 20 -3.167 -2.692 8.293 1.00 0.98 C ATOM 328 CE1 HIS A 20 -4.354 -4.485 8.701 1.00 1.07 C ATOM 329 NE2 HIS A 20 -3.208 -3.887 8.968 1.00 1.13 N ATOM 0 H HIS A 20 -6.862 -0.522 5.613 1.00 0.55 H new ATOM 0 HA HIS A 20 -5.998 -0.858 8.380 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -5.341 -1.946 5.857 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -3.962 -0.956 6.291 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -5.972 -3.935 7.510 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -2.359 -1.976 8.310 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -4.671 -5.442 9.089 1.00 1.07 H new ATOM 338 N ASN A 21 -5.459 1.801 6.668 1.00 0.58 N ATOM 339 CA ASN A 21 -4.888 3.147 6.665 1.00 0.61 C ATOM 340 C ASN A 21 -5.248 3.916 7.938 1.00 0.60 C ATOM 341 O ASN A 21 -6.370 4.393 8.094 1.00 0.75 O ATOM 342 CB ASN A 21 -5.353 3.936 5.426 1.00 0.72 C ATOM 343 CG ASN A 21 -6.814 3.699 5.063 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.642 3.363 5.908 1.00 0.96 O ATOM 345 ND2 ASN A 21 -7.144 3.874 3.793 1.00 0.88 N ATOM 0 H ASN A 21 -6.180 1.654 5.962 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.804 3.037 6.630 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -5.200 5.000 5.605 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -4.728 3.663 4.576 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -8.108 3.730 3.492 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -6.434 4.153 3.115 1.00 0.88 H new ATOM 352 N HIS A 22 -4.300 4.027 8.857 1.00 0.64 N ATOM 353 CA HIS A 22 -4.538 4.744 10.103 1.00 0.76 C ATOM 354 C HIS A 22 -3.317 5.571 10.485 1.00 0.88 C ATOM 355 O HIS A 22 -3.223 6.742 10.127 1.00 1.61 O ATOM 356 CB HIS A 22 -4.919 3.776 11.233 1.00 0.83 C ATOM 357 CG HIS A 22 -6.254 3.128 11.045 1.00 0.87 C ATOM 358 ND1 HIS A 22 -7.438 3.828 11.042 1.00 1.32 N ATOM 359 CD2 HIS A 22 -6.581 1.834 10.837 1.00 1.17 C ATOM 360 CE1 HIS A 22 -8.438 2.993 10.840 1.00 1.29 C ATOM 361 NE2 HIS A 22 -7.947 1.772 10.709 1.00 1.09 N ATOM 0 H HIS A 22 -3.364 3.633 8.765 1.00 0.64 H new ATOM 0 HA HIS A 22 -5.377 5.422 9.949 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -4.156 3.001 11.308 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -4.918 4.317 12.179 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -5.895 1.002 10.782 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -9.483 3.261 10.790 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -8.492 0.926 10.541 1.00 1.09 H new ATOM 370 N SER A 23 -2.381 4.965 11.200 1.00 0.60 N ATOM 371 CA SER A 23 -1.179 5.672 11.616 1.00 0.62 C ATOM 372 C SER A 23 0.058 4.778 11.526 1.00 0.52 C ATOM 373 O SER A 23 1.019 5.104 10.832 1.00 0.62 O ATOM 374 CB SER A 23 -1.353 6.198 13.041 1.00 0.84 C ATOM 375 OG SER A 23 -2.240 5.370 13.784 1.00 1.32 O ATOM 0 H SER A 23 -2.429 3.992 11.503 1.00 0.60 H new ATOM 0 HA SER A 23 -1.028 6.512 10.937 1.00 0.62 H new ATOM 0 HB2 SER A 23 -0.384 6.238 13.539 1.00 0.84 H new ATOM 0 HB3 SER A 23 -1.739 7.217 13.012 1.00 0.84 H new ATOM 0 HG SER A 23 -2.586 5.869 14.554 1.00 1.32 H new ATOM 381 N LYS A 24 0.022 3.644 12.214 1.00 0.51 N ATOM 382 CA LYS A 24 1.147 2.712 12.222 1.00 0.51 C ATOM 383 C LYS A 24 0.790 1.425 11.490 1.00 0.44 C ATOM 384 O LYS A 24 1.259 0.341 11.835 1.00 0.45 O ATOM 385 CB LYS A 24 1.585 2.408 13.660 1.00 0.71 C ATOM 386 CG LYS A 24 0.438 2.085 14.603 1.00 0.97 C ATOM 387 CD LYS A 24 -0.038 3.323 15.348 1.00 1.41 C ATOM 388 CE LYS A 24 -1.321 3.058 16.115 1.00 1.88 C ATOM 389 NZ LYS A 24 -1.754 4.249 16.890 1.00 2.36 N ATOM 0 H LYS A 24 -0.775 3.345 12.776 1.00 0.51 H new ATOM 0 HA LYS A 24 1.980 3.182 11.699 1.00 0.51 H new ATOM 0 HB2 LYS A 24 2.278 1.567 13.647 1.00 0.71 H new ATOM 0 HB3 LYS A 24 2.132 3.266 14.051 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -0.390 1.659 14.037 1.00 0.97 H new ATOM 0 HG3 LYS A 24 0.757 1.328 15.320 1.00 0.97 H new ATOM 0 HD2 LYS A 24 0.738 3.653 16.039 1.00 1.41 H new ATOM 0 HD3 LYS A 24 -0.199 4.135 14.639 1.00 1.41 H new ATOM 0 HE2 LYS A 24 -2.109 2.771 15.418 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -1.173 2.217 16.793 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -2.633 4.030 17.401 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 -1.013 4.508 17.572 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -1.920 5.044 16.241 1.00 2.36 H new ATOM 403 N SER A 25 -0.053 1.553 10.481 1.00 0.43 N ATOM 404 CA SER A 25 -0.479 0.416 9.679 1.00 0.42 C ATOM 405 C SER A 25 -0.818 0.886 8.264 1.00 0.42 C ATOM 406 O SER A 25 -1.584 0.248 7.540 1.00 0.50 O ATOM 407 CB SER A 25 -1.691 -0.261 10.329 1.00 0.48 C ATOM 408 OG SER A 25 -1.547 -0.326 11.742 1.00 0.83 O ATOM 0 H SER A 25 -0.461 2.443 10.194 1.00 0.43 H new ATOM 0 HA SER A 25 0.330 -0.312 9.623 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.597 0.291 10.078 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.808 -1.267 9.926 1.00 0.48 H new ATOM 0 HG SER A 25 -2.334 -0.761 12.131 1.00 0.83 H new ATOM 414 N THR A 26 -0.217 2.004 7.881 1.00 0.42 N ATOM 415 CA THR A 26 -0.438 2.615 6.581 1.00 0.43 C ATOM 416 C THR A 26 0.250 1.836 5.460 1.00 0.36 C ATOM 417 O THR A 26 1.479 1.794 5.379 1.00 0.41 O ATOM 418 CB THR A 26 0.078 4.063 6.600 1.00 0.51 C ATOM 419 OG1 THR A 26 -0.318 4.688 7.831 1.00 0.64 O ATOM 420 CG2 THR A 26 -0.461 4.857 5.420 1.00 0.56 C ATOM 0 H THR A 26 0.442 2.515 8.469 1.00 0.42 H new ATOM 0 HA THR A 26 -1.510 2.601 6.383 1.00 0.43 H new ATOM 0 HB THR A 26 1.165 4.046 6.522 1.00 0.51 H new ATOM 0 HG1 THR A 26 0.332 4.471 8.532 1.00 0.64 H new ATOM 0 HG21 THR A 26 -0.078 5.877 5.462 1.00 0.56 H new ATOM 0 HG22 THR A 26 -0.142 4.388 4.489 1.00 0.56 H new ATOM 0 HG23 THR A 26 -1.550 4.877 5.462 1.00 0.56 H new ATOM 428 N TRP A 27 -0.551 1.219 4.599 1.00 0.35 N ATOM 429 CA TRP A 27 -0.026 0.443 3.485 1.00 0.33 C ATOM 430 C TRP A 27 -0.481 1.043 2.155 1.00 0.32 C ATOM 431 O TRP A 27 -1.550 1.653 2.077 1.00 0.36 O ATOM 432 CB TRP A 27 -0.486 -1.017 3.581 1.00 0.38 C ATOM 433 CG TRP A 27 0.016 -1.739 4.802 1.00 0.40 C ATOM 434 CD1 TRP A 27 1.018 -1.343 5.638 1.00 0.43 C ATOM 435 CD2 TRP A 27 -0.459 -2.992 5.314 1.00 0.48 C ATOM 436 NE1 TRP A 27 1.192 -2.263 6.640 1.00 0.48 N ATOM 437 CE2 TRP A 27 0.301 -3.287 6.464 1.00 0.52 C ATOM 438 CE3 TRP A 27 -1.448 -3.891 4.913 1.00 0.56 C ATOM 439 CZ2 TRP A 27 0.096 -4.439 7.217 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -1.651 -5.036 5.661 1.00 0.68 C ATOM 441 CH2 TRP A 27 -0.880 -5.303 6.801 1.00 0.71 C ATOM 0 H TRP A 27 -1.569 1.242 4.653 1.00 0.35 H new ATOM 0 HA TRP A 27 1.063 0.473 3.533 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -1.576 -1.045 3.578 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -0.151 -1.552 2.692 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.592 -0.435 5.527 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.875 -2.195 7.394 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -2.044 -3.696 4.034 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 0.686 -4.644 8.098 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -2.417 -5.737 5.362 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -1.060 -6.208 7.362 1.00 0.71 H new ATOM 452 N LEU A 28 0.329 0.871 1.119 1.00 0.32 N ATOM 453 CA LEU A 28 0.008 1.394 -0.208 1.00 0.33 C ATOM 454 C LEU A 28 0.074 0.279 -1.245 1.00 0.32 C ATOM 455 O LEU A 28 0.816 -0.690 -1.075 1.00 0.32 O ATOM 456 CB LEU A 28 0.975 2.520 -0.604 1.00 0.36 C ATOM 457 CG LEU A 28 0.853 3.812 0.207 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.952 3.890 1.252 1.00 0.85 C ATOM 459 CD2 LEU A 28 0.902 5.025 -0.710 1.00 0.99 C ATOM 0 H LEU A 28 1.217 0.372 1.170 1.00 0.32 H new ATOM 0 HA LEU A 28 -1.004 1.798 -0.173 1.00 0.33 H new ATOM 0 HB2 LEU A 28 1.995 2.148 -0.510 1.00 0.36 H new ATOM 0 HB3 LEU A 28 0.818 2.756 -1.656 1.00 0.36 H new ATOM 0 HG LEU A 28 -0.109 3.807 0.719 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.850 4.815 1.819 1.00 0.85 H new ATOM 0 HD12 LEU A 28 1.872 3.039 1.928 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.924 3.872 0.760 1.00 0.85 H new ATOM 0 HD21 LEU A 28 0.814 5.934 -0.116 1.00 0.99 H new ATOM 0 HD22 LEU A 28 1.849 5.035 -1.250 1.00 0.99 H new ATOM 0 HD23 LEU A 28 0.079 4.976 -1.422 1.00 0.99 H new ATOM 471 N ILE A 29 -0.708 0.412 -2.310 1.00 0.35 N ATOM 472 CA ILE A 29 -0.722 -0.580 -3.379 1.00 0.36 C ATOM 473 C ILE A 29 0.066 -0.075 -4.582 1.00 0.36 C ATOM 474 O ILE A 29 -0.255 0.966 -5.159 1.00 0.39 O ATOM 475 CB ILE A 29 -2.160 -0.931 -3.832 1.00 0.42 C ATOM 476 CG1 ILE A 29 -2.945 -1.565 -2.685 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.131 -1.869 -5.036 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.387 -1.870 -3.037 1.00 0.80 C ATOM 0 H ILE A 29 -1.341 1.198 -2.457 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.260 -1.482 -2.978 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.659 -0.008 -4.125 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -2.450 -2.488 -2.383 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -2.923 -0.895 -1.826 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.151 -2.104 -5.339 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.609 -1.385 -5.862 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -1.611 -2.789 -4.768 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -4.884 -2.318 -2.177 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -4.898 -0.947 -3.311 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.418 -2.565 -3.877 1.00 0.80 H new ATOM 490 N LEU A 30 1.102 -0.815 -4.944 1.00 0.34 N ATOM 491 CA LEU A 30 1.937 -0.468 -6.079 1.00 0.37 C ATOM 492 C LEU A 30 2.116 -1.686 -6.971 1.00 0.38 C ATOM 493 O LEU A 30 2.684 -2.689 -6.546 1.00 0.38 O ATOM 494 CB LEU A 30 3.310 0.034 -5.619 1.00 0.38 C ATOM 495 CG LEU A 30 3.295 1.291 -4.749 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.645 1.483 -4.082 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.934 2.513 -5.578 1.00 0.48 C ATOM 0 H LEU A 30 1.385 -1.668 -4.461 1.00 0.34 H new ATOM 0 HA LEU A 30 1.446 0.331 -6.634 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.802 -0.765 -5.064 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.919 0.231 -6.501 1.00 0.38 H new ATOM 0 HG LEU A 30 2.537 1.167 -3.976 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.622 2.381 -3.465 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.868 0.619 -3.456 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.416 1.587 -4.845 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.929 3.397 -4.940 1.00 0.48 H new ATOM 0 HD22 LEU A 30 3.668 2.643 -6.373 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.945 2.376 -6.016 1.00 0.48 H new ATOM 509 N HIS A 31 1.615 -1.596 -8.197 1.00 0.41 N ATOM 510 CA HIS A 31 1.718 -2.685 -9.167 1.00 0.43 C ATOM 511 C HIS A 31 0.917 -3.895 -8.697 1.00 0.42 C ATOM 512 O HIS A 31 1.332 -5.036 -8.892 1.00 0.45 O ATOM 513 CB HIS A 31 3.184 -3.087 -9.412 1.00 0.47 C ATOM 514 CG HIS A 31 4.057 -1.964 -9.883 1.00 0.66 C ATOM 515 ND1 HIS A 31 3.974 -1.425 -11.146 1.00 1.11 N ATOM 516 CD2 HIS A 31 5.038 -1.278 -9.249 1.00 1.10 C ATOM 517 CE1 HIS A 31 4.866 -0.462 -11.270 1.00 1.22 C ATOM 518 NE2 HIS A 31 5.527 -0.350 -10.133 1.00 1.18 N ATOM 0 H HIS A 31 1.128 -0.771 -8.548 1.00 0.41 H new ATOM 0 HA HIS A 31 1.304 -2.326 -10.109 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.598 -3.491 -8.488 1.00 0.47 H new ATOM 0 HB3 HIS A 31 3.211 -3.888 -10.151 1.00 0.47 H new ATOM 0 HD2 HIS A 31 5.373 -1.433 -8.234 1.00 1.10 H new ATOM 0 HE1 HIS A 31 5.029 0.136 -12.155 1.00 1.22 H new ATOM 0 HE2 HIS A 31 6.276 0.316 -9.943 1.00 1.18 H new ATOM 527 N HIS A 32 -0.236 -3.619 -8.084 1.00 0.42 N ATOM 528 CA HIS A 32 -1.138 -4.656 -7.567 1.00 0.44 C ATOM 529 C HIS A 32 -0.529 -5.383 -6.371 1.00 0.40 C ATOM 530 O HIS A 32 -1.001 -6.448 -5.970 1.00 0.44 O ATOM 531 CB HIS A 32 -1.508 -5.668 -8.661 1.00 0.52 C ATOM 532 CG HIS A 32 -2.344 -5.097 -9.767 1.00 0.68 C ATOM 533 ND1 HIS A 32 -1.943 -5.088 -11.086 1.00 1.01 N ATOM 534 CD2 HIS A 32 -3.570 -4.524 -9.747 1.00 0.85 C ATOM 535 CE1 HIS A 32 -2.884 -4.533 -11.827 1.00 1.09 C ATOM 536 NE2 HIS A 32 -3.881 -4.185 -11.040 1.00 0.97 N ATOM 0 H HIS A 32 -0.573 -2.669 -7.931 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.046 -4.151 -7.237 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -0.592 -6.077 -9.087 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.046 -6.499 -8.205 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.188 -4.363 -8.876 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -2.843 -4.389 -12.897 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -4.745 -3.736 -11.343 1.00 0.97 H new ATOM 545 N LYS A 33 0.512 -4.797 -5.798 1.00 0.37 N ATOM 546 CA LYS A 33 1.190 -5.378 -4.651 1.00 0.37 C ATOM 547 C LYS A 33 1.081 -4.444 -3.452 1.00 0.33 C ATOM 548 O LYS A 33 1.169 -3.223 -3.599 1.00 0.36 O ATOM 549 CB LYS A 33 2.661 -5.645 -4.992 1.00 0.40 C ATOM 550 CG LYS A 33 2.852 -6.587 -6.174 1.00 0.57 C ATOM 551 CD LYS A 33 4.279 -6.556 -6.705 1.00 0.79 C ATOM 552 CE LYS A 33 5.268 -7.135 -5.706 1.00 0.94 C ATOM 553 NZ LYS A 33 6.536 -7.551 -6.365 1.00 1.02 N ATOM 0 H LYS A 33 0.908 -3.911 -6.113 1.00 0.37 H new ATOM 0 HA LYS A 33 0.714 -6.325 -4.397 1.00 0.37 H new ATOM 0 HB2 LYS A 33 3.152 -4.697 -5.211 1.00 0.40 H new ATOM 0 HB3 LYS A 33 3.157 -6.067 -4.118 1.00 0.40 H new ATOM 0 HG2 LYS A 33 2.600 -7.603 -5.872 1.00 0.57 H new ATOM 0 HG3 LYS A 33 2.162 -6.312 -6.972 1.00 0.57 H new ATOM 0 HD2 LYS A 33 4.332 -7.119 -7.637 1.00 0.79 H new ATOM 0 HD3 LYS A 33 4.558 -5.528 -6.938 1.00 0.79 H new ATOM 0 HE2 LYS A 33 5.484 -6.394 -4.936 1.00 0.94 H new ATOM 0 HE3 LYS A 33 4.819 -7.993 -5.205 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 7.186 -7.941 -5.653 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 6.333 -8.276 -7.082 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 6.977 -6.727 -6.821 1.00 1.02 H new ATOM 567 N VAL A 34 0.894 -5.015 -2.269 1.00 0.30 N ATOM 568 CA VAL A 34 0.762 -4.227 -1.050 1.00 0.30 C ATOM 569 C VAL A 34 2.113 -4.071 -0.360 1.00 0.27 C ATOM 570 O VAL A 34 2.786 -5.059 -0.057 1.00 0.28 O ATOM 571 CB VAL A 34 -0.240 -4.861 -0.058 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.471 -3.944 1.134 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.554 -5.177 -0.755 1.00 0.35 C ATOM 0 H VAL A 34 0.830 -6.023 -2.127 1.00 0.30 H new ATOM 0 HA VAL A 34 0.384 -3.249 -1.347 1.00 0.30 H new ATOM 0 HB VAL A 34 0.187 -5.794 0.309 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -1.179 -4.410 1.819 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.474 -3.773 1.650 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -0.873 -2.992 0.788 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -2.247 -5.623 -0.041 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -1.985 -4.258 -1.153 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.374 -5.877 -1.571 1.00 0.35 H new ATOM 583 N TYR A 35 2.508 -2.830 -0.124 1.00 0.28 N ATOM 584 CA TYR A 35 3.778 -2.547 0.524 1.00 0.28 C ATOM 585 C TYR A 35 3.568 -1.889 1.883 1.00 0.30 C ATOM 586 O TYR A 35 2.811 -0.921 2.010 1.00 0.32 O ATOM 587 CB TYR A 35 4.637 -1.647 -0.366 1.00 0.31 C ATOM 588 CG TYR A 35 5.101 -2.318 -1.640 1.00 0.31 C ATOM 589 CD1 TYR A 35 6.281 -3.044 -1.670 1.00 0.35 C ATOM 590 CD2 TYR A 35 4.360 -2.223 -2.810 1.00 0.43 C ATOM 591 CE1 TYR A 35 6.713 -3.658 -2.829 1.00 0.40 C ATOM 592 CE2 TYR A 35 4.785 -2.834 -3.975 1.00 0.47 C ATOM 593 CZ TYR A 35 5.963 -3.550 -3.978 1.00 0.41 C ATOM 594 OH TYR A 35 6.391 -4.166 -5.131 1.00 0.48 O ATOM 0 H TYR A 35 1.966 -2.002 -0.372 1.00 0.28 H new ATOM 0 HA TYR A 35 4.294 -3.494 0.680 1.00 0.28 H new ATOM 0 HB2 TYR A 35 4.067 -0.754 -0.623 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.509 -1.317 0.199 1.00 0.31 H new ATOM 0 HD1 TYR A 35 6.873 -3.131 -0.771 1.00 0.35 H new ATOM 0 HD2 TYR A 35 3.437 -1.663 -2.810 1.00 0.43 H new ATOM 0 HE1 TYR A 35 7.635 -4.220 -2.834 1.00 0.40 H new ATOM 0 HE2 TYR A 35 4.198 -2.751 -4.877 1.00 0.47 H new ATOM 0 HH TYR A 35 5.749 -3.994 -5.851 1.00 0.48 H new ATOM 604 N ASP A 36 4.236 -2.432 2.889 1.00 0.32 N ATOM 605 CA ASP A 36 4.161 -1.911 4.246 1.00 0.36 C ATOM 606 C ASP A 36 5.319 -0.959 4.495 1.00 0.38 C ATOM 607 O ASP A 36 6.472 -1.378 4.625 1.00 0.50 O ATOM 608 CB ASP A 36 4.181 -3.051 5.272 1.00 0.43 C ATOM 609 CG ASP A 36 4.557 -2.591 6.674 1.00 0.57 C ATOM 610 OD1 ASP A 36 4.078 -1.519 7.118 1.00 0.90 O ATOM 611 OD2 ASP A 36 5.334 -3.307 7.348 1.00 1.28 O ATOM 0 H ASP A 36 4.844 -3.245 2.789 1.00 0.32 H new ATOM 0 HA ASP A 36 3.221 -1.371 4.359 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.198 -3.521 5.302 1.00 0.43 H new ATOM 0 HB3 ASP A 36 4.888 -3.813 4.945 1.00 0.43 H new ATOM 616 N LEU A 37 5.009 0.321 4.533 1.00 0.37 N ATOM 617 CA LEU A 37 6.011 1.345 4.764 1.00 0.43 C ATOM 618 C LEU A 37 5.446 2.424 5.673 1.00 0.37 C ATOM 619 O LEU A 37 5.770 3.606 5.539 1.00 0.40 O ATOM 620 CB LEU A 37 6.471 1.952 3.437 1.00 0.56 C ATOM 621 CG LEU A 37 5.373 2.614 2.604 1.00 0.66 C ATOM 622 CD1 LEU A 37 5.863 3.937 2.031 1.00 0.86 C ATOM 623 CD2 LEU A 37 4.922 1.680 1.492 1.00 0.80 C ATOM 0 H LEU A 37 4.063 0.680 4.406 1.00 0.37 H new ATOM 0 HA LEU A 37 6.874 0.890 5.250 1.00 0.43 H new ATOM 0 HB2 LEU A 37 7.243 2.693 3.644 1.00 0.56 H new ATOM 0 HB3 LEU A 37 6.934 1.167 2.839 1.00 0.56 H new ATOM 0 HG LEU A 37 4.519 2.819 3.250 1.00 0.66 H new ATOM 0 HD11 LEU A 37 5.069 4.394 1.441 1.00 0.86 H new ATOM 0 HD12 LEU A 37 6.141 4.606 2.846 1.00 0.86 H new ATOM 0 HD13 LEU A 37 6.731 3.759 1.396 1.00 0.86 H new ATOM 0 HD21 LEU A 37 4.140 2.163 0.906 1.00 0.80 H new ATOM 0 HD22 LEU A 37 5.769 1.448 0.846 1.00 0.80 H new ATOM 0 HD23 LEU A 37 4.534 0.759 1.926 1.00 0.80 H new ATOM 635 N THR A 38 4.607 2.006 6.611 1.00 0.34 N ATOM 636 CA THR A 38 3.983 2.926 7.550 1.00 0.36 C ATOM 637 C THR A 38 5.030 3.621 8.422 1.00 0.38 C ATOM 638 O THR A 38 4.770 4.676 8.997 1.00 0.44 O ATOM 639 CB THR A 38 2.945 2.202 8.437 1.00 0.41 C ATOM 640 OG1 THR A 38 2.071 3.156 9.056 1.00 0.48 O ATOM 641 CG2 THR A 38 3.614 1.356 9.510 1.00 0.48 C ATOM 0 H THR A 38 4.342 1.030 6.741 1.00 0.34 H new ATOM 0 HA THR A 38 3.464 3.685 6.964 1.00 0.36 H new ATOM 0 HB THR A 38 2.369 1.539 7.791 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.578 3.695 9.698 1.00 0.48 H new ATOM 0 HG21 THR A 38 2.851 0.863 10.113 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.246 0.604 9.038 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.225 1.994 10.149 1.00 0.48 H new ATOM 649 N LYS A 39 6.213 3.025 8.516 1.00 0.39 N ATOM 650 CA LYS A 39 7.291 3.598 9.305 1.00 0.47 C ATOM 651 C LYS A 39 8.262 4.354 8.405 1.00 0.47 C ATOM 652 O LYS A 39 9.334 4.770 8.841 1.00 0.59 O ATOM 653 CB LYS A 39 8.024 2.503 10.083 1.00 0.56 C ATOM 654 CG LYS A 39 7.145 1.786 11.096 1.00 0.75 C ATOM 655 CD LYS A 39 6.618 2.744 12.157 1.00 0.92 C ATOM 656 CE LYS A 39 5.631 2.061 13.092 1.00 1.27 C ATOM 657 NZ LYS A 39 5.130 2.986 14.143 1.00 1.50 N ATOM 0 H LYS A 39 6.448 2.146 8.055 1.00 0.39 H new ATOM 0 HA LYS A 39 6.863 4.301 10.020 1.00 0.47 H new ATOM 0 HB2 LYS A 39 8.423 1.773 9.379 1.00 0.56 H new ATOM 0 HB3 LYS A 39 8.876 2.944 10.601 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.307 1.314 10.583 1.00 0.75 H new ATOM 0 HG3 LYS A 39 7.715 0.990 11.575 1.00 0.75 H new ATOM 0 HD2 LYS A 39 7.452 3.141 12.735 1.00 0.92 H new ATOM 0 HD3 LYS A 39 6.134 3.592 11.673 1.00 0.92 H new ATOM 0 HE2 LYS A 39 4.790 1.678 12.514 1.00 1.27 H new ATOM 0 HE3 LYS A 39 6.111 1.203 13.563 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 4.460 2.482 14.759 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 5.930 3.332 14.711 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 4.649 3.792 13.695 1.00 1.50 H new ATOM 671 N PHE A 40 7.882 4.517 7.143 1.00 0.40 N ATOM 672 CA PHE A 40 8.708 5.230 6.179 1.00 0.44 C ATOM 673 C PHE A 40 7.993 6.494 5.701 1.00 0.40 C ATOM 674 O PHE A 40 8.539 7.262 4.917 1.00 0.42 O ATOM 675 CB PHE A 40 9.036 4.323 4.987 1.00 0.52 C ATOM 676 CG PHE A 40 10.235 4.766 4.193 1.00 1.16 C ATOM 677 CD1 PHE A 40 11.508 4.695 4.738 1.00 1.66 C ATOM 678 CD2 PHE A 40 10.088 5.255 2.903 1.00 1.77 C ATOM 679 CE1 PHE A 40 12.612 5.100 4.011 1.00 2.39 C ATOM 680 CE2 PHE A 40 11.188 5.663 2.173 1.00 2.45 C ATOM 681 CZ PHE A 40 12.451 5.585 2.727 1.00 2.68 C ATOM 0 H PHE A 40 7.004 4.163 6.764 1.00 0.40 H new ATOM 0 HA PHE A 40 9.640 5.519 6.665 1.00 0.44 H new ATOM 0 HB2 PHE A 40 9.208 3.310 5.351 1.00 0.52 H new ATOM 0 HB3 PHE A 40 8.170 4.282 4.326 1.00 0.52 H new ATOM 0 HD1 PHE A 40 11.639 4.319 5.742 1.00 1.66 H new ATOM 0 HD2 PHE A 40 9.103 5.317 2.465 1.00 1.77 H new ATOM 0 HE1 PHE A 40 13.599 5.037 4.446 1.00 2.39 H new ATOM 0 HE2 PHE A 40 11.060 6.043 1.170 1.00 2.45 H new ATOM 0 HZ PHE A 40 13.312 5.903 2.157 1.00 2.68 H new ATOM 691 N LEU A 41 6.775 6.709 6.194 1.00 0.39 N ATOM 692 CA LEU A 41 5.981 7.880 5.812 1.00 0.43 C ATOM 693 C LEU A 41 6.730 9.175 6.116 1.00 0.44 C ATOM 694 O LEU A 41 6.922 10.021 5.244 1.00 0.47 O ATOM 695 CB LEU A 41 4.643 7.889 6.556 1.00 0.49 C ATOM 696 CG LEU A 41 3.814 6.608 6.452 1.00 0.48 C ATOM 697 CD1 LEU A 41 2.555 6.730 7.295 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.458 6.316 5.002 1.00 0.59 C ATOM 0 H LEU A 41 6.314 6.088 6.859 1.00 0.39 H new ATOM 0 HA LEU A 41 5.801 7.817 4.739 1.00 0.43 H new ATOM 0 HB2 LEU A 41 4.836 8.089 7.610 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.045 8.718 6.178 1.00 0.49 H new ATOM 0 HG LEU A 41 4.409 5.777 6.830 1.00 0.48 H new ATOM 0 HD11 LEU A 41 1.972 5.812 7.214 1.00 0.55 H new ATOM 0 HD12 LEU A 41 2.829 6.894 8.337 1.00 0.55 H new ATOM 0 HD13 LEU A 41 1.959 7.571 6.940 1.00 0.55 H new ATOM 0 HD21 LEU A 41 2.868 5.401 4.949 1.00 0.59 H new ATOM 0 HD22 LEU A 41 2.879 7.145 4.596 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.372 6.193 4.421 1.00 0.59 H new ATOM 710 N GLU A 42 7.159 9.313 7.362 1.00 0.49 N ATOM 711 CA GLU A 42 7.885 10.498 7.802 1.00 0.56 C ATOM 712 C GLU A 42 9.312 10.499 7.259 1.00 0.54 C ATOM 713 O GLU A 42 9.973 11.535 7.220 1.00 0.66 O ATOM 714 CB GLU A 42 7.913 10.548 9.326 1.00 0.67 C ATOM 715 CG GLU A 42 8.388 9.248 9.952 1.00 0.72 C ATOM 716 CD GLU A 42 9.248 9.462 11.174 1.00 0.93 C ATOM 717 OE1 GLU A 42 10.130 10.347 11.137 1.00 1.40 O ATOM 718 OE2 GLU A 42 9.046 8.739 12.170 1.00 1.50 O ATOM 0 H GLU A 42 7.016 8.614 8.091 1.00 0.49 H new ATOM 0 HA GLU A 42 7.371 11.378 7.416 1.00 0.56 H new ATOM 0 HB2 GLU A 42 8.567 11.359 9.646 1.00 0.67 H new ATOM 0 HB3 GLU A 42 6.914 10.779 9.695 1.00 0.67 H new ATOM 0 HG2 GLU A 42 7.522 8.645 10.225 1.00 0.72 H new ATOM 0 HG3 GLU A 42 8.952 8.680 9.212 1.00 0.72 H new ATOM 725 N GLU A 43 9.776 9.334 6.826 1.00 0.48 N ATOM 726 CA GLU A 43 11.123 9.195 6.293 1.00 0.50 C ATOM 727 C GLU A 43 11.104 9.272 4.768 1.00 0.43 C ATOM 728 O GLU A 43 12.063 8.889 4.099 1.00 0.54 O ATOM 729 CB GLU A 43 11.735 7.868 6.757 1.00 0.58 C ATOM 730 CG GLU A 43 11.296 7.456 8.155 1.00 0.76 C ATOM 731 CD GLU A 43 12.407 6.800 8.946 1.00 0.96 C ATOM 732 OE1 GLU A 43 12.615 5.576 8.801 1.00 1.56 O ATOM 733 OE2 GLU A 43 13.074 7.508 9.727 1.00 1.46 O ATOM 0 H GLU A 43 9.236 8.469 6.834 1.00 0.48 H new ATOM 0 HA GLU A 43 11.736 10.014 6.668 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.460 7.083 6.052 1.00 0.58 H new ATOM 0 HB3 GLU A 43 12.822 7.950 6.735 1.00 0.58 H new ATOM 0 HG2 GLU A 43 10.942 8.335 8.694 1.00 0.76 H new ATOM 0 HG3 GLU A 43 10.454 6.768 8.079 1.00 0.76 H new ATOM 740 N HIS A 44 9.997 9.762 4.231 1.00 0.43 N ATOM 741 CA HIS A 44 9.834 9.901 2.795 1.00 0.39 C ATOM 742 C HIS A 44 10.210 11.318 2.361 1.00 0.43 C ATOM 743 O HIS A 44 9.583 12.291 2.788 1.00 0.51 O ATOM 744 CB HIS A 44 8.388 9.575 2.401 1.00 0.41 C ATOM 745 CG HIS A 44 8.139 9.589 0.924 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.342 10.516 0.294 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.589 8.755 -0.049 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.331 10.229 -1.012 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.074 9.169 -1.273 1.00 0.41 N ATOM 0 H HIS A 44 9.192 10.072 4.776 1.00 0.43 H new ATOM 0 HA HIS A 44 10.496 9.200 2.287 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.129 8.592 2.793 1.00 0.41 H new ATOM 0 HB3 HIS A 44 7.722 10.294 2.878 1.00 0.41 H new ATOM 0 HD1 HIS A 44 6.847 11.286 0.743 1.00 0.42 H new ATOM 0 HD2 HIS A 44 9.241 7.908 0.103 1.00 0.41 H new ATOM 0 HE1 HIS A 44 6.786 10.791 -1.756 1.00 0.40 H new ATOM 757 N PRO A 45 11.244 11.448 1.518 1.00 0.44 N ATOM 758 CA PRO A 45 11.705 12.751 1.027 1.00 0.53 C ATOM 759 C PRO A 45 10.682 13.415 0.107 1.00 0.62 C ATOM 760 O PRO A 45 10.635 13.146 -1.094 1.00 1.11 O ATOM 761 CB PRO A 45 12.988 12.412 0.263 1.00 0.58 C ATOM 762 CG PRO A 45 12.840 10.983 -0.124 1.00 0.56 C ATOM 763 CD PRO A 45 12.042 10.335 0.969 1.00 0.44 C ATOM 0 HA PRO A 45 11.859 13.464 1.837 1.00 0.53 H new ATOM 0 HB2 PRO A 45 13.105 13.048 -0.614 1.00 0.58 H new ATOM 0 HB3 PRO A 45 13.870 12.563 0.886 1.00 0.58 H new ATOM 0 HG2 PRO A 45 12.333 10.890 -1.084 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.814 10.505 -0.231 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.407 9.537 0.584 1.00 0.44 H new ATOM 0 HD3 PRO A 45 12.687 9.891 1.727 1.00 0.44 H new ATOM 771 N GLY A 46 9.859 14.277 0.684 1.00 0.75 N ATOM 772 CA GLY A 46 8.845 14.966 -0.081 1.00 0.82 C ATOM 773 C GLY A 46 7.610 15.226 0.749 1.00 0.83 C ATOM 774 O GLY A 46 6.838 16.141 0.464 1.00 1.38 O ATOM 0 H GLY A 46 9.877 14.512 1.676 1.00 0.75 H new ATOM 0 HA2 GLY A 46 9.244 15.911 -0.448 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.579 14.371 -0.955 1.00 0.82 H new ATOM 778 N GLY A 47 7.433 14.426 1.791 1.00 0.66 N ATOM 779 CA GLY A 47 6.293 14.591 2.660 1.00 0.67 C ATOM 780 C GLY A 47 5.409 13.365 2.699 1.00 0.60 C ATOM 781 O GLY A 47 5.400 12.562 1.758 1.00 0.64 O ATOM 0 H GLY A 47 8.062 13.665 2.048 1.00 0.66 H new ATOM 0 HA2 GLY A 47 6.639 14.817 3.669 1.00 0.67 H new ATOM 0 HA3 GLY A 47 5.707 15.447 2.325 1.00 0.67 H new ATOM 785 N GLU A 48 4.656 13.222 3.780 1.00 0.61 N ATOM 786 CA GLU A 48 3.759 12.089 3.948 1.00 0.63 C ATOM 787 C GLU A 48 2.364 12.417 3.417 1.00 0.63 C ATOM 788 O GLU A 48 1.503 11.541 3.315 1.00 0.65 O ATOM 789 CB GLU A 48 3.673 11.701 5.423 1.00 0.76 C ATOM 790 CG GLU A 48 3.295 12.863 6.328 1.00 0.95 C ATOM 791 CD GLU A 48 2.575 12.418 7.581 1.00 1.21 C ATOM 792 OE1 GLU A 48 1.415 11.969 7.475 1.00 1.79 O ATOM 793 OE2 GLU A 48 3.157 12.525 8.679 1.00 1.86 O ATOM 0 H GLU A 48 4.649 13.881 4.558 1.00 0.61 H new ATOM 0 HA GLU A 48 4.159 11.250 3.378 1.00 0.63 H new ATOM 0 HB2 GLU A 48 2.938 10.904 5.540 1.00 0.76 H new ATOM 0 HB3 GLU A 48 4.634 11.298 5.742 1.00 0.76 H new ATOM 0 HG2 GLU A 48 4.196 13.409 6.607 1.00 0.95 H new ATOM 0 HG3 GLU A 48 2.660 13.556 5.776 1.00 0.95 H new ATOM 800 N GLU A 49 2.158 13.681 3.068 1.00 0.66 N ATOM 801 CA GLU A 49 0.872 14.150 2.558 1.00 0.74 C ATOM 802 C GLU A 49 0.430 13.348 1.334 1.00 0.68 C ATOM 803 O GLU A 49 -0.741 12.989 1.205 1.00 0.72 O ATOM 804 CB GLU A 49 0.960 15.630 2.194 1.00 0.86 C ATOM 805 CG GLU A 49 -0.394 16.289 2.011 1.00 1.10 C ATOM 806 CD GLU A 49 -0.902 16.912 3.289 1.00 1.32 C ATOM 807 OE1 GLU A 49 -1.245 16.164 4.228 1.00 1.69 O ATOM 808 OE2 GLU A 49 -0.959 18.159 3.362 1.00 1.81 O ATOM 0 H GLU A 49 2.872 14.407 3.129 1.00 0.66 H new ATOM 0 HA GLU A 49 0.132 14.009 3.345 1.00 0.74 H new ATOM 0 HB2 GLU A 49 1.509 16.156 2.975 1.00 0.86 H new ATOM 0 HB3 GLU A 49 1.534 15.736 1.274 1.00 0.86 H new ATOM 0 HG2 GLU A 49 -0.322 17.055 1.239 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -1.112 15.548 1.659 1.00 1.10 H new ATOM 815 N VAL A 50 1.374 13.056 0.450 1.00 0.63 N ATOM 816 CA VAL A 50 1.071 12.309 -0.765 1.00 0.60 C ATOM 817 C VAL A 50 0.896 10.815 -0.486 1.00 0.54 C ATOM 818 O VAL A 50 0.312 10.089 -1.283 1.00 0.54 O ATOM 819 CB VAL A 50 2.169 12.506 -1.834 1.00 0.64 C ATOM 820 CG1 VAL A 50 2.194 13.949 -2.318 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.533 12.095 -1.295 1.00 0.62 C ATOM 0 H VAL A 50 2.353 13.323 0.550 1.00 0.63 H new ATOM 0 HA VAL A 50 0.129 12.704 -1.144 1.00 0.60 H new ATOM 0 HB VAL A 50 1.934 11.864 -2.683 1.00 0.64 H new ATOM 0 HG11 VAL A 50 2.974 14.067 -3.070 1.00 0.75 H new ATOM 0 HG12 VAL A 50 1.228 14.203 -2.754 1.00 0.75 H new ATOM 0 HG13 VAL A 50 2.398 14.611 -1.477 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.289 12.243 -2.066 1.00 0.62 H new ATOM 0 HG22 VAL A 50 3.779 12.704 -0.425 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.509 11.044 -1.008 1.00 0.62 H new ATOM 831 N LEU A 51 1.381 10.364 0.661 1.00 0.52 N ATOM 832 CA LEU A 51 1.286 8.955 1.021 1.00 0.50 C ATOM 833 C LEU A 51 -0.002 8.651 1.779 1.00 0.53 C ATOM 834 O LEU A 51 -0.622 7.614 1.563 1.00 0.55 O ATOM 835 CB LEU A 51 2.490 8.535 1.864 1.00 0.48 C ATOM 836 CG LEU A 51 3.844 8.643 1.162 1.00 0.46 C ATOM 837 CD1 LEU A 51 4.967 8.289 2.122 1.00 0.49 C ATOM 838 CD2 LEU A 51 3.888 7.740 -0.061 1.00 0.47 C ATOM 0 H LEU A 51 1.843 10.950 1.357 1.00 0.52 H new ATOM 0 HA LEU A 51 1.276 8.384 0.092 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.515 9.149 2.764 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.346 7.503 2.186 1.00 0.48 H new ATOM 0 HG LEU A 51 3.979 9.673 0.833 1.00 0.46 H new ATOM 0 HD11 LEU A 51 5.925 8.370 1.608 1.00 0.49 H new ATOM 0 HD12 LEU A 51 4.951 8.974 2.969 1.00 0.49 H new ATOM 0 HD13 LEU A 51 4.832 7.268 2.479 1.00 0.49 H new ATOM 0 HD21 LEU A 51 4.860 7.832 -0.546 1.00 0.47 H new ATOM 0 HD22 LEU A 51 3.731 6.706 0.245 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.105 8.035 -0.759 1.00 0.47 H new ATOM 850 N ARG A 52 -0.402 9.564 2.660 1.00 0.59 N ATOM 851 CA ARG A 52 -1.613 9.374 3.460 1.00 0.66 C ATOM 852 C ARG A 52 -2.868 9.325 2.589 1.00 0.65 C ATOM 853 O ARG A 52 -3.836 8.648 2.929 1.00 0.69 O ATOM 854 CB ARG A 52 -1.751 10.481 4.514 1.00 0.79 C ATOM 855 CG ARG A 52 -1.825 11.883 3.931 1.00 0.97 C ATOM 856 CD ARG A 52 -2.201 12.911 4.989 1.00 1.22 C ATOM 857 NE ARG A 52 -1.249 12.940 6.102 1.00 1.50 N ATOM 858 CZ ARG A 52 -1.297 13.814 7.108 1.00 1.90 C ATOM 859 NH1 ARG A 52 -2.220 14.763 7.133 1.00 2.00 N ATOM 860 NH2 ARG A 52 -0.407 13.741 8.084 1.00 2.61 N ATOM 0 H ARG A 52 0.090 10.439 2.839 1.00 0.59 H new ATOM 0 HA ARG A 52 -1.515 8.413 3.964 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -2.648 10.296 5.105 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -0.903 10.427 5.197 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -0.862 12.147 3.493 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -2.559 11.904 3.125 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -2.250 13.899 4.531 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -3.197 12.687 5.372 1.00 1.22 H new ATOM 0 HE ARG A 52 -0.501 12.247 6.108 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -2.903 14.830 6.378 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -2.248 15.427 7.907 1.00 2.00 H new ATOM 0 HH21 ARG A 52 0.312 13.018 8.065 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -0.440 14.408 8.855 1.00 2.61 H new ATOM 874 N GLU A 53 -2.847 10.024 1.461 1.00 0.64 N ATOM 875 CA GLU A 53 -4.002 10.049 0.570 1.00 0.68 C ATOM 876 C GLU A 53 -4.097 8.767 -0.249 1.00 0.65 C ATOM 877 O GLU A 53 -5.193 8.307 -0.568 1.00 0.78 O ATOM 878 CB GLU A 53 -3.953 11.263 -0.359 1.00 0.72 C ATOM 879 CG GLU A 53 -2.668 11.380 -1.160 1.00 0.67 C ATOM 880 CD GLU A 53 -2.821 12.279 -2.365 1.00 0.81 C ATOM 881 OE1 GLU A 53 -2.785 13.518 -2.194 1.00 1.26 O ATOM 882 OE2 GLU A 53 -2.999 11.754 -3.486 1.00 1.35 O ATOM 0 H GLU A 53 -2.051 10.577 1.143 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.892 10.124 1.194 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -4.795 11.213 -1.049 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -4.081 12.167 0.236 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -1.877 11.768 -0.518 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.355 10.388 -1.487 1.00 0.67 H new ATOM 889 N GLN A 54 -2.955 8.186 -0.575 1.00 0.57 N ATOM 890 CA GLN A 54 -2.924 6.962 -1.365 1.00 0.58 C ATOM 891 C GLN A 54 -2.936 5.731 -0.465 1.00 0.57 C ATOM 892 O GLN A 54 -2.878 4.596 -0.938 1.00 0.60 O ATOM 893 CB GLN A 54 -1.696 6.947 -2.272 1.00 0.57 C ATOM 894 CG GLN A 54 -1.703 8.050 -3.319 1.00 0.64 C ATOM 895 CD GLN A 54 -2.928 8.007 -4.212 1.00 0.81 C ATOM 896 OE1 GLN A 54 -3.454 6.937 -4.518 1.00 1.13 O ATOM 897 NE2 GLN A 54 -3.407 9.173 -4.617 1.00 0.96 N ATOM 0 H GLN A 54 -2.037 8.540 -0.306 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.819 6.936 -1.986 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.800 7.044 -1.659 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.636 5.981 -2.773 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -1.657 9.018 -2.820 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -0.807 7.966 -3.935 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -2.942 10.038 -4.342 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -4.241 9.206 -5.204 1.00 0.96 H new ATOM 906 N ALA A 55 -3.007 5.964 0.837 1.00 0.58 N ATOM 907 CA ALA A 55 -3.039 4.887 1.809 1.00 0.60 C ATOM 908 C ALA A 55 -4.300 4.055 1.634 1.00 0.61 C ATOM 909 O ALA A 55 -5.411 4.565 1.776 1.00 0.68 O ATOM 910 CB ALA A 55 -2.971 5.454 3.215 1.00 0.65 C ATOM 0 H ALA A 55 -3.044 6.898 1.245 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.175 4.242 1.648 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -2.996 4.638 3.938 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -2.046 6.018 3.336 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.822 6.113 3.383 1.00 0.65 H new ATOM 916 N GLY A 56 -4.125 2.781 1.321 1.00 0.59 N ATOM 917 CA GLY A 56 -5.264 1.909 1.116 1.00 0.64 C ATOM 918 C GLY A 56 -5.801 2.004 -0.299 1.00 0.62 C ATOM 919 O GLY A 56 -6.930 1.592 -0.575 1.00 0.66 O ATOM 0 H GLY A 56 -3.215 2.334 1.205 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -4.975 0.879 1.326 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -6.053 2.170 1.822 1.00 0.64 H new ATOM 923 N GLY A 57 -4.994 2.568 -1.188 1.00 0.63 N ATOM 924 CA GLY A 57 -5.383 2.713 -2.576 1.00 0.65 C ATOM 925 C GLY A 57 -4.245 2.376 -3.519 1.00 0.59 C ATOM 926 O GLY A 57 -3.150 2.019 -3.079 1.00 0.55 O ATOM 0 H GLY A 57 -4.067 2.931 -0.968 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.233 2.063 -2.785 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -5.713 3.736 -2.756 1.00 0.65 H new ATOM 930 N ASP A 58 -4.504 2.495 -4.814 1.00 0.65 N ATOM 931 CA ASP A 58 -3.501 2.198 -5.827 1.00 0.62 C ATOM 932 C ASP A 58 -2.761 3.469 -6.214 1.00 0.61 C ATOM 933 O ASP A 58 -3.355 4.405 -6.750 1.00 0.71 O ATOM 934 CB ASP A 58 -4.163 1.582 -7.059 1.00 0.69 C ATOM 935 CG ASP A 58 -3.185 0.824 -7.930 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.088 1.348 -8.208 1.00 1.32 O ATOM 937 OD2 ASP A 58 -3.522 -0.304 -8.358 1.00 1.51 O ATOM 0 H ASP A 58 -5.404 2.796 -5.189 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.788 1.483 -5.417 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -4.958 0.908 -6.740 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -4.631 2.371 -7.647 1.00 0.69 H new ATOM 942 N ALA A 59 -1.467 3.499 -5.939 1.00 0.55 N ATOM 943 CA ALA A 59 -0.655 4.664 -6.245 1.00 0.57 C ATOM 944 C ALA A 59 0.356 4.373 -7.344 1.00 0.54 C ATOM 945 O ALA A 59 1.324 5.119 -7.512 1.00 0.54 O ATOM 946 CB ALA A 59 0.061 5.149 -4.995 1.00 0.60 C ATOM 0 H ALA A 59 -0.957 2.730 -5.505 1.00 0.55 H new ATOM 0 HA ALA A 59 -1.324 5.446 -6.605 1.00 0.57 H new ATOM 0 HB1 ALA A 59 0.666 6.022 -5.238 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -0.674 5.416 -4.236 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.705 4.356 -4.614 1.00 0.60 H new ATOM 952 N THR A 60 0.131 3.305 -8.102 1.00 0.56 N ATOM 953 CA THR A 60 1.042 2.928 -9.178 1.00 0.57 C ATOM 954 C THR A 60 1.245 4.069 -10.179 1.00 0.57 C ATOM 955 O THR A 60 2.375 4.371 -10.573 1.00 0.58 O ATOM 956 CB THR A 60 0.529 1.684 -9.923 1.00 0.64 C ATOM 957 OG1 THR A 60 0.249 0.641 -8.981 1.00 0.67 O ATOM 958 CG2 THR A 60 1.548 1.192 -10.939 1.00 0.71 C ATOM 0 H THR A 60 -0.672 2.686 -7.992 1.00 0.56 H new ATOM 0 HA THR A 60 2.001 2.702 -8.712 1.00 0.57 H new ATOM 0 HB THR A 60 -0.381 1.957 -10.457 1.00 0.64 H new ATOM 0 HG1 THR A 60 -0.713 0.618 -8.795 1.00 0.67 H new ATOM 0 HG21 THR A 60 1.157 0.312 -11.450 1.00 0.71 H new ATOM 0 HG22 THR A 60 1.743 1.978 -11.669 1.00 0.71 H new ATOM 0 HG23 THR A 60 2.475 0.933 -10.428 1.00 0.71 H new ATOM 966 N GLU A 61 0.150 4.718 -10.560 1.00 0.62 N ATOM 967 CA GLU A 61 0.200 5.817 -11.520 1.00 0.67 C ATOM 968 C GLU A 61 1.026 6.988 -10.991 1.00 0.63 C ATOM 969 O GLU A 61 1.825 7.574 -11.719 1.00 0.74 O ATOM 970 CB GLU A 61 -1.217 6.284 -11.867 1.00 0.78 C ATOM 971 CG GLU A 61 -2.089 6.571 -10.655 1.00 0.83 C ATOM 972 CD GLU A 61 -3.310 7.404 -10.998 1.00 1.06 C ATOM 973 OE1 GLU A 61 -3.199 8.648 -11.018 1.00 1.64 O ATOM 974 OE2 GLU A 61 -4.384 6.820 -11.254 1.00 1.48 O ATOM 0 H GLU A 61 -0.786 4.502 -10.218 1.00 0.62 H new ATOM 0 HA GLU A 61 0.686 5.447 -12.423 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -1.152 7.185 -12.476 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -1.701 5.521 -12.477 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -2.410 5.628 -10.212 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -1.498 7.092 -9.902 1.00 0.83 H new ATOM 981 N ASN A 62 0.855 7.305 -9.713 1.00 0.56 N ATOM 982 CA ASN A 62 1.575 8.414 -9.096 1.00 0.55 C ATOM 983 C ASN A 62 3.054 8.074 -8.932 1.00 0.50 C ATOM 984 O ASN A 62 3.914 8.954 -9.001 1.00 0.50 O ATOM 985 CB ASN A 62 0.959 8.746 -7.734 1.00 0.58 C ATOM 986 CG ASN A 62 1.065 10.220 -7.369 1.00 0.82 C ATOM 987 OD1 ASN A 62 0.165 10.777 -6.740 1.00 1.28 O ATOM 988 ND2 ASN A 62 2.165 10.861 -7.739 1.00 1.32 N ATOM 0 H ASN A 62 0.224 6.810 -9.083 1.00 0.56 H new ATOM 0 HA ASN A 62 1.492 9.284 -9.748 1.00 0.55 H new ATOM 0 HB2 ASN A 62 -0.091 8.454 -7.737 1.00 0.58 H new ATOM 0 HB3 ASN A 62 1.453 8.152 -6.965 1.00 0.58 H new ATOM 0 HD21 ASN A 62 2.285 11.846 -7.503 1.00 1.32 H new ATOM 0 HD22 ASN A 62 2.891 10.369 -8.259 1.00 1.32 H new ATOM 995 N PHE A 63 3.333 6.792 -8.733 1.00 0.48 N ATOM 996 CA PHE A 63 4.697 6.308 -8.550 1.00 0.46 C ATOM 997 C PHE A 63 5.536 6.522 -9.808 1.00 0.49 C ATOM 998 O PHE A 63 6.636 7.082 -9.749 1.00 0.50 O ATOM 999 CB PHE A 63 4.667 4.820 -8.188 1.00 0.48 C ATOM 1000 CG PHE A 63 5.977 4.282 -7.677 1.00 0.51 C ATOM 1001 CD1 PHE A 63 6.322 4.411 -6.339 1.00 0.63 C ATOM 1002 CD2 PHE A 63 6.857 3.638 -8.532 1.00 0.70 C ATOM 1003 CE1 PHE A 63 7.520 3.912 -5.869 1.00 0.76 C ATOM 1004 CE2 PHE A 63 8.057 3.135 -8.065 1.00 0.77 C ATOM 1005 CZ PHE A 63 8.388 3.271 -6.733 1.00 0.73 C ATOM 0 H PHE A 63 2.624 6.060 -8.694 1.00 0.48 H new ATOM 0 HA PHE A 63 5.157 6.875 -7.741 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.900 4.657 -7.431 1.00 0.48 H new ATOM 0 HB3 PHE A 63 4.371 4.249 -9.068 1.00 0.48 H new ATOM 0 HD1 PHE A 63 5.646 4.907 -5.658 1.00 0.63 H new ATOM 0 HD2 PHE A 63 6.602 3.528 -9.576 1.00 0.70 H new ATOM 0 HE1 PHE A 63 7.779 4.022 -4.826 1.00 0.76 H new ATOM 0 HE2 PHE A 63 8.734 2.636 -8.742 1.00 0.77 H new ATOM 0 HZ PHE A 63 9.324 2.877 -6.366 1.00 0.73 H new ATOM 1015 N GLU A 64 5.012 6.091 -10.949 1.00 0.53 N ATOM 1016 CA GLU A 64 5.730 6.225 -12.210 1.00 0.58 C ATOM 1017 C GLU A 64 5.614 7.635 -12.779 1.00 0.57 C ATOM 1018 O GLU A 64 6.425 8.034 -13.615 1.00 0.65 O ATOM 1019 CB GLU A 64 5.246 5.198 -13.235 1.00 0.69 C ATOM 1020 CG GLU A 64 3.735 5.075 -13.337 1.00 1.08 C ATOM 1021 CD GLU A 64 3.306 4.171 -14.474 1.00 1.47 C ATOM 1022 OE1 GLU A 64 3.870 3.063 -14.606 1.00 1.88 O ATOM 1023 OE2 GLU A 64 2.417 4.570 -15.254 1.00 1.89 O ATOM 0 H GLU A 64 4.097 5.648 -11.027 1.00 0.53 H new ATOM 0 HA GLU A 64 6.782 6.033 -11.999 1.00 0.58 H new ATOM 0 HB2 GLU A 64 5.643 5.465 -14.214 1.00 0.69 H new ATOM 0 HB3 GLU A 64 5.661 4.223 -12.978 1.00 0.69 H new ATOM 0 HG2 GLU A 64 3.340 4.686 -12.398 1.00 1.08 H new ATOM 0 HG3 GLU A 64 3.301 6.065 -13.480 1.00 1.08 H new ATOM 1030 N ASP A 65 4.605 8.384 -12.346 1.00 0.54 N ATOM 1031 CA ASP A 65 4.426 9.756 -12.819 1.00 0.55 C ATOM 1032 C ASP A 65 5.590 10.621 -12.359 1.00 0.53 C ATOM 1033 O ASP A 65 6.157 11.388 -13.138 1.00 0.58 O ATOM 1034 CB ASP A 65 3.112 10.358 -12.311 1.00 0.57 C ATOM 1035 CG ASP A 65 2.960 11.818 -12.704 1.00 0.69 C ATOM 1036 OD1 ASP A 65 2.683 12.096 -13.888 1.00 0.88 O ATOM 1037 OD2 ASP A 65 3.123 12.697 -11.829 1.00 0.79 O ATOM 0 H ASP A 65 3.904 8.070 -11.675 1.00 0.54 H new ATOM 0 HA ASP A 65 4.392 9.730 -13.908 1.00 0.55 H new ATOM 0 HB2 ASP A 65 2.274 9.787 -12.711 1.00 0.57 H new ATOM 0 HB3 ASP A 65 3.069 10.269 -11.225 1.00 0.57 H new ATOM 1042 N VAL A 66 5.947 10.484 -11.091 1.00 0.50 N ATOM 1043 CA VAL A 66 7.046 11.245 -10.524 1.00 0.52 C ATOM 1044 C VAL A 66 8.383 10.714 -11.032 1.00 0.50 C ATOM 1045 O VAL A 66 9.261 11.484 -11.421 1.00 0.55 O ATOM 1046 CB VAL A 66 7.029 11.196 -8.980 1.00 0.56 C ATOM 1047 CG1 VAL A 66 8.246 11.904 -8.402 1.00 0.67 C ATOM 1048 CG2 VAL A 66 5.747 11.815 -8.443 1.00 0.60 C ATOM 0 H VAL A 66 5.489 9.851 -10.435 1.00 0.50 H new ATOM 0 HA VAL A 66 6.922 12.281 -10.840 1.00 0.52 H new ATOM 0 HB VAL A 66 7.066 10.151 -8.672 1.00 0.56 H new ATOM 0 HG11 VAL A 66 8.212 11.856 -7.314 1.00 0.67 H new ATOM 0 HG12 VAL A 66 9.154 11.417 -8.758 1.00 0.67 H new ATOM 0 HG13 VAL A 66 8.245 12.947 -8.720 1.00 0.67 H new ATOM 0 HG21 VAL A 66 5.751 11.772 -7.354 1.00 0.60 H new ATOM 0 HG22 VAL A 66 5.682 12.854 -8.765 1.00 0.60 H new ATOM 0 HG23 VAL A 66 4.888 11.262 -8.825 1.00 0.60 H new ATOM 1058 N GLY A 67 8.516 9.395 -11.044 1.00 0.50 N ATOM 1059 CA GLY A 67 9.750 8.781 -11.485 1.00 0.54 C ATOM 1060 C GLY A 67 10.667 8.498 -10.318 1.00 0.54 C ATOM 1061 O GLY A 67 11.159 9.420 -9.669 1.00 0.82 O ATOM 0 H GLY A 67 7.790 8.739 -10.756 1.00 0.50 H new ATOM 0 HA2 GLY A 67 9.529 7.852 -12.011 1.00 0.54 H new ATOM 0 HA3 GLY A 67 10.253 9.438 -12.195 1.00 0.54 H new ATOM 1065 N HIS A 68 10.886 7.225 -10.041 1.00 0.45 N ATOM 1066 CA HIS A 68 11.730 6.828 -8.927 1.00 0.42 C ATOM 1067 C HIS A 68 13.013 6.178 -9.421 1.00 0.47 C ATOM 1068 O HIS A 68 13.137 5.843 -10.601 1.00 0.58 O ATOM 1069 CB HIS A 68 10.971 5.874 -8.003 1.00 0.39 C ATOM 1070 CG HIS A 68 9.966 6.562 -7.131 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.749 7.033 -7.575 1.00 0.35 N ATOM 1072 CD2 HIS A 68 10.024 6.865 -5.810 1.00 0.41 C ATOM 1073 CE1 HIS A 68 8.124 7.598 -6.537 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.854 7.522 -5.442 1.00 0.40 N ATOM 0 H HIS A 68 10.492 6.448 -10.572 1.00 0.45 H new ATOM 0 HA HIS A 68 11.999 7.723 -8.366 1.00 0.42 H new ATOM 0 HB2 HIS A 68 10.462 5.123 -8.607 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.686 5.345 -7.373 1.00 0.39 H new ATOM 0 HD1 HIS A 68 8.389 6.963 -8.527 1.00 0.35 H new ATOM 0 HD2 HIS A 68 10.847 6.633 -5.150 1.00 0.41 H new ATOM 0 HE1 HIS A 68 7.148 8.057 -6.589 1.00 0.35 H new ATOM 1082 N SER A 69 13.960 6.010 -8.514 1.00 0.45 N ATOM 1083 CA SER A 69 15.242 5.408 -8.841 1.00 0.50 C ATOM 1084 C SER A 69 15.152 3.886 -8.819 1.00 0.50 C ATOM 1085 O SER A 69 14.215 3.318 -8.248 1.00 0.46 O ATOM 1086 CB SER A 69 16.293 5.881 -7.839 1.00 0.55 C ATOM 1087 OG SER A 69 15.777 5.843 -6.517 1.00 1.01 O ATOM 0 H SER A 69 13.864 6.285 -7.536 1.00 0.45 H new ATOM 0 HA SER A 69 15.526 5.716 -9.847 1.00 0.50 H new ATOM 0 HB2 SER A 69 17.179 5.249 -7.908 1.00 0.55 H new ATOM 0 HB3 SER A 69 16.606 6.896 -8.084 1.00 0.55 H new ATOM 0 HG SER A 69 15.372 6.708 -6.299 1.00 1.01 H new ATOM 1093 N THR A 70 16.135 3.227 -9.421 1.00 0.59 N ATOM 1094 CA THR A 70 16.170 1.776 -9.459 1.00 0.64 C ATOM 1095 C THR A 70 16.411 1.209 -8.067 1.00 0.61 C ATOM 1096 O THR A 70 16.080 0.061 -7.788 1.00 0.66 O ATOM 1097 CB THR A 70 17.272 1.278 -10.410 1.00 0.78 C ATOM 1098 OG1 THR A 70 18.167 2.356 -10.719 1.00 0.89 O ATOM 1099 CG2 THR A 70 16.670 0.724 -11.689 1.00 1.08 C ATOM 0 H THR A 70 16.920 3.679 -9.890 1.00 0.59 H new ATOM 0 HA THR A 70 15.203 1.431 -9.826 1.00 0.64 H new ATOM 0 HB THR A 70 17.823 0.478 -9.915 1.00 0.78 H new ATOM 0 HG1 THR A 70 18.869 2.036 -11.323 1.00 0.89 H new ATOM 0 HG21 THR A 70 17.468 0.378 -12.346 1.00 1.08 H new ATOM 0 HG22 THR A 70 16.010 -0.110 -11.449 1.00 1.08 H new ATOM 0 HG23 THR A 70 16.100 1.506 -12.191 1.00 1.08 H new ATOM 1107 N ASP A 71 16.979 2.024 -7.191 1.00 0.60 N ATOM 1108 CA ASP A 71 17.256 1.596 -5.827 1.00 0.61 C ATOM 1109 C ASP A 71 15.981 1.589 -4.996 1.00 0.54 C ATOM 1110 O ASP A 71 15.777 0.711 -4.162 1.00 0.56 O ATOM 1111 CB ASP A 71 18.294 2.510 -5.176 1.00 0.70 C ATOM 1112 CG ASP A 71 18.735 2.009 -3.817 1.00 0.97 C ATOM 1113 OD1 ASP A 71 19.460 0.991 -3.760 1.00 1.38 O ATOM 1114 OD2 ASP A 71 18.374 2.632 -2.802 1.00 1.29 O ATOM 0 H ASP A 71 17.257 2.983 -7.399 1.00 0.60 H new ATOM 0 HA ASP A 71 17.655 0.582 -5.867 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.163 2.591 -5.829 1.00 0.70 H new ATOM 0 HB3 ASP A 71 17.878 3.512 -5.073 1.00 0.70 H new ATOM 1119 N ALA A 72 15.114 2.563 -5.248 1.00 0.48 N ATOM 1120 CA ALA A 72 13.856 2.681 -4.522 1.00 0.44 C ATOM 1121 C ALA A 72 12.986 1.442 -4.714 1.00 0.42 C ATOM 1122 O ALA A 72 12.443 0.899 -3.750 1.00 0.43 O ATOM 1123 CB ALA A 72 13.110 3.931 -4.965 1.00 0.47 C ATOM 0 H ALA A 72 15.261 3.285 -5.953 1.00 0.48 H new ATOM 0 HA ALA A 72 14.085 2.764 -3.460 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.172 4.009 -4.416 1.00 0.47 H new ATOM 0 HB2 ALA A 72 13.722 4.810 -4.764 1.00 0.47 H new ATOM 0 HB3 ALA A 72 12.901 3.871 -6.033 1.00 0.47 H new ATOM 1129 N ARG A 73 12.871 0.988 -5.959 1.00 0.44 N ATOM 1130 CA ARG A 73 12.065 -0.190 -6.269 1.00 0.48 C ATOM 1131 C ARG A 73 12.698 -1.454 -5.687 1.00 0.49 C ATOM 1132 O ARG A 73 11.995 -2.392 -5.316 1.00 0.56 O ATOM 1133 CB ARG A 73 11.870 -0.333 -7.783 1.00 0.54 C ATOM 1134 CG ARG A 73 13.153 -0.196 -8.586 1.00 0.68 C ATOM 1135 CD ARG A 73 13.618 -1.530 -9.147 1.00 0.74 C ATOM 1136 NE ARG A 73 12.987 -1.833 -10.427 1.00 0.90 N ATOM 1137 CZ ARG A 73 12.971 -3.043 -10.984 1.00 1.08 C ATOM 1138 NH1 ARG A 73 13.548 -4.072 -10.368 1.00 1.08 N ATOM 1139 NH2 ARG A 73 12.383 -3.222 -12.161 1.00 1.36 N ATOM 0 H ARG A 73 13.324 1.416 -6.767 1.00 0.44 H new ATOM 0 HA ARG A 73 11.086 -0.057 -5.808 1.00 0.48 H new ATOM 0 HB2 ARG A 73 11.425 -1.306 -7.992 1.00 0.54 H new ATOM 0 HB3 ARG A 73 11.160 0.422 -8.121 1.00 0.54 H new ATOM 0 HG2 ARG A 73 12.995 0.506 -9.404 1.00 0.68 H new ATOM 0 HG3 ARG A 73 13.935 0.223 -7.952 1.00 0.68 H new ATOM 0 HD2 ARG A 73 14.701 -1.514 -9.271 1.00 0.74 H new ATOM 0 HD3 ARG A 73 13.391 -2.322 -8.434 1.00 0.74 H new ATOM 0 HE ARG A 73 12.529 -1.071 -10.927 1.00 0.90 H new ATOM 0 HH11 ARG A 73 14.005 -3.936 -9.466 1.00 1.08 H new ATOM 0 HH12 ARG A 73 13.534 -4.997 -10.798 1.00 1.08 H new ATOM 0 HH21 ARG A 73 11.945 -2.434 -12.637 1.00 1.36 H new ATOM 0 HH22 ARG A 73 12.370 -4.148 -12.589 1.00 1.36 H new ATOM 1153 N GLU A 74 14.021 -1.472 -5.602 1.00 0.47 N ATOM 1154 CA GLU A 74 14.731 -2.620 -5.050 1.00 0.51 C ATOM 1155 C GLU A 74 14.576 -2.660 -3.532 1.00 0.49 C ATOM 1156 O GLU A 74 14.463 -3.732 -2.935 1.00 0.55 O ATOM 1157 CB GLU A 74 16.209 -2.575 -5.431 1.00 0.57 C ATOM 1158 CG GLU A 74 16.467 -2.820 -6.914 1.00 0.65 C ATOM 1159 CD GLU A 74 15.984 -4.183 -7.375 1.00 0.75 C ATOM 1160 OE1 GLU A 74 16.630 -5.192 -7.029 1.00 1.01 O ATOM 1161 OE2 GLU A 74 14.957 -4.256 -8.085 1.00 0.84 O ATOM 0 H GLU A 74 14.624 -0.708 -5.907 1.00 0.47 H new ATOM 0 HA GLU A 74 14.296 -3.527 -5.470 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.617 -1.602 -5.156 1.00 0.57 H new ATOM 0 HB3 GLU A 74 16.748 -3.322 -4.849 1.00 0.57 H new ATOM 0 HG2 GLU A 74 15.969 -2.046 -7.498 1.00 0.65 H new ATOM 0 HG3 GLU A 74 17.535 -2.731 -7.112 1.00 0.65 H new ATOM 1168 N LEU A 75 14.566 -1.486 -2.917 1.00 0.47 N ATOM 1169 CA LEU A 75 14.406 -1.370 -1.471 1.00 0.48 C ATOM 1170 C LEU A 75 12.998 -1.781 -1.064 1.00 0.43 C ATOM 1171 O LEU A 75 12.765 -2.250 0.053 1.00 0.44 O ATOM 1172 CB LEU A 75 14.679 0.071 -1.020 1.00 0.53 C ATOM 1173 CG LEU A 75 14.572 0.317 0.486 1.00 0.56 C ATOM 1174 CD1 LEU A 75 15.755 -0.298 1.212 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.480 1.808 0.777 1.00 0.61 C ATOM 0 H LEU A 75 14.667 -0.593 -3.399 1.00 0.47 H new ATOM 0 HA LEU A 75 15.123 -2.033 -0.988 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.680 0.353 -1.347 1.00 0.53 H new ATOM 0 HB3 LEU A 75 13.979 0.733 -1.530 1.00 0.53 H new ATOM 0 HG LEU A 75 13.662 -0.160 0.850 1.00 0.56 H new ATOM 0 HD11 LEU A 75 15.662 -0.113 2.282 1.00 0.65 H new ATOM 0 HD12 LEU A 75 15.775 -1.373 1.030 1.00 0.65 H new ATOM 0 HD13 LEU A 75 16.679 0.149 0.846 1.00 0.65 H new ATOM 0 HD21 LEU A 75 14.404 1.965 1.853 1.00 0.61 H new ATOM 0 HD22 LEU A 75 15.372 2.308 0.399 1.00 0.61 H new ATOM 0 HD23 LEU A 75 13.598 2.220 0.287 1.00 0.61 H new ATOM 1187 N SER A 76 12.061 -1.621 -1.988 1.00 0.45 N ATOM 1188 CA SER A 76 10.667 -1.967 -1.740 1.00 0.46 C ATOM 1189 C SER A 76 10.476 -3.481 -1.613 1.00 0.43 C ATOM 1190 O SER A 76 9.421 -3.945 -1.182 1.00 0.45 O ATOM 1191 CB SER A 76 9.785 -1.415 -2.858 1.00 0.55 C ATOM 1192 OG SER A 76 9.895 -0.003 -2.946 1.00 0.82 O ATOM 0 H SER A 76 12.242 -1.252 -2.921 1.00 0.45 H new ATOM 0 HA SER A 76 10.373 -1.516 -0.792 1.00 0.46 H new ATOM 0 HB2 SER A 76 10.073 -1.865 -3.808 1.00 0.55 H new ATOM 0 HB3 SER A 76 8.746 -1.691 -2.676 1.00 0.55 H new ATOM 0 HG SER A 76 10.802 0.238 -3.227 1.00 0.82 H new ATOM 1198 N LYS A 77 11.509 -4.245 -1.952 1.00 0.45 N ATOM 1199 CA LYS A 77 11.445 -5.701 -1.875 1.00 0.51 C ATOM 1200 C LYS A 77 11.348 -6.184 -0.428 1.00 0.47 C ATOM 1201 O LYS A 77 11.048 -7.348 -0.172 1.00 0.56 O ATOM 1202 CB LYS A 77 12.663 -6.321 -2.556 1.00 0.63 C ATOM 1203 CG LYS A 77 12.568 -6.321 -4.073 1.00 0.94 C ATOM 1204 CD LYS A 77 13.876 -6.748 -4.714 1.00 1.20 C ATOM 1205 CE LYS A 77 13.724 -6.940 -6.212 1.00 1.60 C ATOM 1206 NZ LYS A 77 15.011 -7.296 -6.863 1.00 1.89 N ATOM 0 H LYS A 77 12.402 -3.880 -2.283 1.00 0.45 H new ATOM 0 HA LYS A 77 10.542 -6.021 -2.395 1.00 0.51 H new ATOM 0 HB2 LYS A 77 13.557 -5.774 -2.255 1.00 0.63 H new ATOM 0 HB3 LYS A 77 12.784 -7.346 -2.206 1.00 0.63 H new ATOM 0 HG2 LYS A 77 11.771 -6.994 -4.388 1.00 0.94 H new ATOM 0 HG3 LYS A 77 12.300 -5.324 -4.421 1.00 0.94 H new ATOM 0 HD2 LYS A 77 14.641 -5.997 -4.518 1.00 1.20 H new ATOM 0 HD3 LYS A 77 14.219 -7.678 -4.260 1.00 1.20 H new ATOM 0 HE2 LYS A 77 12.992 -7.724 -6.404 1.00 1.60 H new ATOM 0 HE3 LYS A 77 13.334 -6.024 -6.657 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 14.872 -7.368 -7.891 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 15.718 -6.561 -6.660 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 15.346 -8.209 -6.494 1.00 1.89 H new ATOM 1220 N THR A 78 11.607 -5.296 0.521 1.00 0.42 N ATOM 1221 CA THR A 78 11.514 -5.662 1.923 1.00 0.48 C ATOM 1222 C THR A 78 10.248 -5.076 2.541 1.00 0.43 C ATOM 1223 O THR A 78 9.901 -5.374 3.686 1.00 0.53 O ATOM 1224 CB THR A 78 12.758 -5.217 2.726 1.00 0.59 C ATOM 1225 OG1 THR A 78 12.813 -5.926 3.974 1.00 0.84 O ATOM 1226 CG2 THR A 78 12.746 -3.715 2.988 1.00 0.63 C ATOM 0 H THR A 78 11.880 -4.329 0.347 1.00 0.42 H new ATOM 0 HA THR A 78 11.468 -6.750 1.971 1.00 0.48 H new ATOM 0 HB THR A 78 13.641 -5.449 2.131 1.00 0.59 H new ATOM 0 HG1 THR A 78 11.902 -6.094 4.295 1.00 0.84 H new ATOM 0 HG21 THR A 78 13.635 -3.437 3.555 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.739 -3.180 2.038 1.00 0.63 H new ATOM 0 HG23 THR A 78 11.855 -3.452 3.559 1.00 0.63 H new ATOM 1234 N PHE A 79 9.548 -4.256 1.766 1.00 0.36 N ATOM 1235 CA PHE A 79 8.319 -3.633 2.235 1.00 0.38 C ATOM 1236 C PHE A 79 7.112 -4.467 1.826 1.00 0.32 C ATOM 1237 O PHE A 79 6.040 -4.358 2.415 1.00 0.33 O ATOM 1238 CB PHE A 79 8.180 -2.210 1.680 1.00 0.46 C ATOM 1239 CG PHE A 79 9.167 -1.220 2.244 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.516 -1.245 3.587 1.00 0.96 C ATOM 1241 CD2 PHE A 79 9.742 -0.259 1.429 1.00 1.10 C ATOM 1242 CE1 PHE A 79 10.418 -0.335 4.102 1.00 1.01 C ATOM 1243 CE2 PHE A 79 10.645 0.654 1.939 1.00 1.16 C ATOM 1244 CZ PHE A 79 10.985 0.617 3.275 1.00 0.70 C ATOM 0 H PHE A 79 9.811 -4.008 0.812 1.00 0.36 H new ATOM 0 HA PHE A 79 8.363 -3.578 3.323 1.00 0.38 H new ATOM 0 HB2 PHE A 79 8.296 -2.243 0.597 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.170 -1.852 1.881 1.00 0.46 H new ATOM 0 HD1 PHE A 79 9.076 -1.986 4.238 1.00 0.96 H new ATOM 0 HD2 PHE A 79 9.481 -0.223 0.382 1.00 1.10 H new ATOM 0 HE1 PHE A 79 10.680 -0.367 5.149 1.00 1.01 H new ATOM 0 HE2 PHE A 79 11.085 1.397 1.291 1.00 1.16 H new ATOM 0 HZ PHE A 79 11.692 1.329 3.674 1.00 0.70 H new ATOM 1254 N ILE A 80 7.293 -5.295 0.807 1.00 0.38 N ATOM 1255 CA ILE A 80 6.220 -6.147 0.318 1.00 0.36 C ATOM 1256 C ILE A 80 5.871 -7.237 1.334 1.00 0.33 C ATOM 1257 O ILE A 80 6.738 -7.989 1.783 1.00 0.42 O ATOM 1258 CB ILE A 80 6.588 -6.792 -1.042 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.522 -7.797 -1.481 1.00 0.46 C ATOM 1260 CG2 ILE A 80 7.954 -7.456 -0.980 1.00 0.58 C ATOM 1261 CD1 ILE A 80 4.307 -7.150 -2.102 1.00 0.72 C ATOM 0 H ILE A 80 8.174 -5.394 0.303 1.00 0.38 H new ATOM 0 HA ILE A 80 5.346 -5.512 0.175 1.00 0.36 H new ATOM 0 HB ILE A 80 6.630 -5.995 -1.785 1.00 0.46 H new ATOM 0 HG12 ILE A 80 5.961 -8.491 -2.198 1.00 0.46 H new ATOM 0 HG13 ILE A 80 5.210 -8.385 -0.618 1.00 0.46 H new ATOM 0 HG21 ILE A 80 8.187 -7.900 -1.948 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.710 -6.711 -0.732 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.946 -8.234 -0.216 1.00 0.58 H new ATOM 0 HD11 ILE A 80 3.592 -7.920 -2.390 1.00 0.72 H new ATOM 0 HD12 ILE A 80 3.844 -6.477 -1.380 1.00 0.72 H new ATOM 0 HD13 ILE A 80 4.607 -6.585 -2.985 1.00 0.72 H new ATOM 1273 N ILE A 81 4.605 -7.291 1.718 1.00 0.28 N ATOM 1274 CA ILE A 81 4.146 -8.293 2.671 1.00 0.32 C ATOM 1275 C ILE A 81 3.099 -9.200 2.037 1.00 0.29 C ATOM 1276 O ILE A 81 2.736 -10.237 2.590 1.00 0.31 O ATOM 1277 CB ILE A 81 3.568 -7.668 3.966 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.208 -6.997 3.709 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.559 -6.681 4.572 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.290 -5.593 3.147 1.00 0.77 C ATOM 0 H ILE A 81 3.879 -6.656 1.387 1.00 0.28 H new ATOM 0 HA ILE A 81 5.024 -8.877 2.947 1.00 0.32 H new ATOM 0 HB ILE A 81 3.404 -8.473 4.682 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.637 -7.617 3.018 1.00 0.50 H new ATOM 0 HG13 ILE A 81 1.651 -6.967 4.645 1.00 0.50 H new ATOM 0 HG21 ILE A 81 4.136 -6.252 5.480 1.00 0.43 H new ATOM 0 HG22 ILE A 81 5.487 -7.199 4.813 1.00 0.43 H new ATOM 0 HG23 ILE A 81 4.764 -5.885 3.856 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.284 -5.201 2.999 1.00 0.77 H new ATOM 0 HD12 ILE A 81 2.830 -4.953 3.845 1.00 0.77 H new ATOM 0 HD13 ILE A 81 2.816 -5.613 2.192 1.00 0.77 H new ATOM 1292 N GLY A 82 2.617 -8.809 0.867 1.00 0.32 N ATOM 1293 CA GLY A 82 1.623 -9.603 0.191 1.00 0.35 C ATOM 1294 C GLY A 82 0.945 -8.858 -0.932 1.00 0.31 C ATOM 1295 O GLY A 82 1.278 -7.708 -1.220 1.00 0.34 O ATOM 0 H GLY A 82 2.898 -7.959 0.378 1.00 0.32 H new ATOM 0 HA2 GLY A 82 2.092 -10.503 -0.207 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.872 -9.927 0.911 1.00 0.35 H new ATOM 1299 N GLU A 83 -0.014 -9.512 -1.564 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.751 -8.926 -2.671 1.00 0.31 C ATOM 1301 C GLU A 83 -2.250 -9.067 -2.436 1.00 0.32 C ATOM 1302 O GLU A 83 -2.683 -9.560 -1.391 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.382 -9.614 -3.987 1.00 0.37 C ATOM 1304 CG GLU A 83 1.051 -9.380 -4.442 1.00 0.61 C ATOM 1305 CD GLU A 83 1.328 -9.975 -5.810 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.414 -9.957 -6.666 1.00 0.72 O ATOM 1307 OE2 GLU A 83 2.451 -10.478 -6.033 1.00 0.86 O ATOM 0 H GLU A 83 -0.303 -10.461 -1.326 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.488 -7.870 -2.733 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.545 -10.686 -3.880 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -1.059 -9.265 -4.767 1.00 0.37 H new ATOM 0 HG2 GLU A 83 1.251 -8.309 -4.467 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.736 -9.815 -3.714 1.00 0.61 H new ATOM 1314 N LEU A 84 -3.033 -8.642 -3.414 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.484 -8.733 -3.334 1.00 0.44 C ATOM 1316 C LEU A 84 -4.950 -10.005 -4.029 1.00 0.40 C ATOM 1317 O LEU A 84 -4.264 -10.512 -4.919 1.00 0.39 O ATOM 1318 CB LEU A 84 -5.152 -7.515 -3.994 1.00 0.52 C ATOM 1319 CG LEU A 84 -4.916 -6.156 -3.318 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -4.985 -6.280 -1.806 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -3.584 -5.563 -3.752 1.00 0.87 C ATOM 0 H LEU A 84 -2.686 -8.228 -4.279 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.770 -8.754 -2.282 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -4.801 -7.450 -5.024 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -6.226 -7.695 -4.034 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.710 -5.480 -3.635 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -4.814 -5.304 -1.353 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -5.969 -6.648 -1.516 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -4.221 -6.978 -1.463 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -3.437 -4.601 -3.261 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -2.776 -6.240 -3.473 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -3.583 -5.423 -4.833 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.103 -10.523 -3.621 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.653 -11.731 -4.234 1.00 0.48 C ATOM 1335 C HIS A 85 -7.037 -11.424 -5.676 1.00 0.42 C ATOM 1336 O HIS A 85 -7.278 -10.264 -6.011 1.00 0.39 O ATOM 1337 CB HIS A 85 -7.905 -12.224 -3.485 1.00 0.61 C ATOM 1338 CG HIS A 85 -7.756 -12.333 -2.001 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -8.375 -11.468 -1.131 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -7.082 -13.220 -1.234 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -8.087 -11.813 0.108 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -7.305 -12.874 0.075 1.00 1.10 N ATOM 0 H HIS A 85 -6.674 -10.130 -2.873 1.00 0.45 H new ATOM 0 HA HIS A 85 -5.893 -12.511 -4.189 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.730 -11.546 -3.703 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -8.184 -13.201 -3.879 1.00 0.61 H new ATOM 0 HD1 HIS A 85 -8.965 -10.682 -1.402 1.00 1.22 H new ATOM 0 HD2 HIS A 85 -6.481 -14.046 -1.586 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -8.433 -11.311 1.000 1.00 1.48 H new ATOM 1351 N PRO A 86 -7.094 -12.435 -6.557 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.493 -12.224 -7.949 1.00 0.44 C ATOM 1353 C PRO A 86 -8.889 -11.619 -8.012 1.00 0.40 C ATOM 1354 O PRO A 86 -9.220 -10.849 -8.917 1.00 0.42 O ATOM 1355 CB PRO A 86 -7.479 -13.632 -8.563 1.00 0.53 C ATOM 1356 CG PRO A 86 -7.437 -14.572 -7.408 1.00 0.57 C ATOM 1357 CD PRO A 86 -6.753 -13.838 -6.288 1.00 0.53 C ATOM 0 HA PRO A 86 -6.834 -11.536 -8.478 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -8.365 -13.802 -9.175 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -6.613 -13.768 -9.211 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -8.443 -14.875 -7.117 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -6.893 -15.481 -7.666 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -7.116 -14.162 -5.312 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.675 -14.001 -6.298 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.690 -11.963 -7.004 1.00 0.41 N ATOM 1366 CA ASP A 87 -11.055 -11.472 -6.875 1.00 0.43 C ATOM 1367 C ASP A 87 -11.047 -9.969 -6.634 1.00 0.41 C ATOM 1368 O ASP A 87 -11.921 -9.243 -7.107 1.00 0.47 O ATOM 1369 CB ASP A 87 -11.767 -12.176 -5.714 1.00 0.55 C ATOM 1370 CG ASP A 87 -11.523 -13.672 -5.702 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -10.418 -14.096 -5.304 1.00 1.28 O ATOM 1372 OD2 ASP A 87 -12.432 -14.431 -6.100 1.00 1.30 O ATOM 0 H ASP A 87 -9.406 -12.592 -6.253 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.590 -11.686 -7.800 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -11.426 -11.748 -4.771 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -12.838 -11.987 -5.781 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.036 -9.516 -5.906 1.00 0.42 N ATOM 1378 CA ASP A 88 -9.877 -8.101 -5.586 1.00 0.50 C ATOM 1379 C ASP A 88 -8.973 -7.430 -6.613 1.00 0.49 C ATOM 1380 O ASP A 88 -8.566 -6.279 -6.446 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.258 -7.925 -4.190 1.00 0.60 C ATOM 1382 CG ASP A 88 -10.079 -8.536 -3.066 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -11.156 -7.991 -2.739 1.00 1.22 O ATOM 1384 OD2 ASP A 88 -9.634 -9.555 -2.486 1.00 1.20 O ATOM 0 H ASP A 88 -9.305 -10.114 -5.521 1.00 0.42 H new ATOM 0 HA ASP A 88 -10.864 -7.639 -5.603 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.265 -8.374 -4.185 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.128 -6.861 -3.993 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.660 -8.151 -7.678 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.777 -7.633 -8.707 1.00 0.51 C ATOM 1391 C ARG A 89 -8.480 -7.498 -10.055 1.00 0.57 C ATOM 1392 O ARG A 89 -8.802 -6.393 -10.487 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.559 -8.548 -8.844 1.00 0.56 C ATOM 1394 CG ARG A 89 -5.365 -7.890 -9.513 1.00 0.89 C ATOM 1395 CD ARG A 89 -4.191 -8.848 -9.626 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.777 -9.369 -8.322 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.511 -9.427 -7.902 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.512 -9.001 -8.670 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -2.234 -9.924 -6.707 1.00 0.81 N ATOM 0 H ARG A 89 -9.005 -9.095 -7.851 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.463 -6.634 -8.403 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.263 -8.893 -7.853 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.843 -9.431 -9.417 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -5.649 -7.543 -10.506 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -5.065 -7.011 -8.942 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -4.463 -9.678 -10.278 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -3.350 -8.337 -10.095 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.504 -9.710 -7.693 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.707 -8.622 -9.597 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.551 -9.053 -8.332 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -2.987 -10.262 -6.108 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.267 -9.969 -6.385 1.00 0.81 H new ATOM 1413 N SER A 90 -8.737 -8.624 -10.708 1.00 0.50 N ATOM 1414 CA SER A 90 -9.358 -8.608 -12.027 1.00 0.59 C ATOM 1415 C SER A 90 -10.838 -8.977 -11.986 1.00 0.57 C ATOM 1416 O SER A 90 -11.534 -8.872 -12.996 1.00 0.88 O ATOM 1417 CB SER A 90 -8.604 -9.559 -12.956 1.00 0.71 C ATOM 1418 OG SER A 90 -7.200 -9.380 -12.835 1.00 1.16 O ATOM 0 H SER A 90 -8.527 -9.555 -10.349 1.00 0.50 H new ATOM 0 HA SER A 90 -9.299 -7.587 -12.405 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.865 -10.590 -12.717 1.00 0.71 H new ATOM 0 HB3 SER A 90 -8.909 -9.384 -13.988 1.00 0.71 H new ATOM 0 HG SER A 90 -6.738 -10.000 -13.437 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.325 -9.409 -10.835 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.731 -9.774 -10.710 1.00 0.49 C ATOM 1426 C LYS A 91 -13.572 -8.544 -10.370 1.00 0.51 C ATOM 1427 O LYS A 91 -14.345 -8.065 -11.201 1.00 0.59 O ATOM 1428 CB LYS A 91 -12.909 -10.860 -9.648 1.00 0.47 C ATOM 1429 CG LYS A 91 -14.278 -11.524 -9.670 1.00 1.02 C ATOM 1430 CD LYS A 91 -14.421 -12.563 -8.565 1.00 1.09 C ATOM 1431 CE LYS A 91 -13.700 -13.857 -8.907 1.00 1.24 C ATOM 1432 NZ LYS A 91 -14.473 -14.695 -9.862 1.00 1.76 N ATOM 0 H LYS A 91 -10.777 -9.516 -9.981 1.00 0.52 H new ATOM 0 HA LYS A 91 -13.073 -10.171 -11.666 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -12.144 -11.623 -9.790 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -12.744 -10.422 -8.663 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -15.052 -10.765 -9.557 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -14.436 -11.999 -10.638 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -14.022 -12.160 -7.634 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -15.478 -12.770 -8.396 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -12.725 -13.625 -9.336 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -13.520 -14.423 -7.993 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -13.944 -15.567 -10.066 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -15.393 -14.939 -9.444 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -14.623 -14.166 -10.745 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.406 -8.040 -9.144 1.00 0.48 N ATOM 1447 CA LEU A 92 -14.122 -6.850 -8.667 1.00 0.55 C ATOM 1448 C LEU A 92 -15.629 -7.091 -8.545 1.00 0.58 C ATOM 1449 O LEU A 92 -16.411 -6.148 -8.480 1.00 0.72 O ATOM 1450 CB LEU A 92 -13.854 -5.648 -9.587 1.00 0.65 C ATOM 1451 CG LEU A 92 -12.818 -4.637 -9.076 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -13.347 -3.896 -7.858 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.502 -5.327 -8.747 1.00 0.90 C ATOM 0 H LEU A 92 -12.773 -8.444 -8.454 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.741 -6.630 -7.670 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -13.523 -6.022 -10.556 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -14.795 -5.124 -9.753 1.00 0.65 H new ATOM 0 HG LEU A 92 -12.635 -3.913 -9.870 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -12.598 -3.184 -7.511 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -14.259 -3.362 -8.125 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -13.564 -4.610 -7.064 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.785 -4.590 -8.387 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.668 -6.078 -7.975 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -11.109 -5.808 -9.643 1.00 0.90 H new ATOM 1465 N SER A 93 -16.032 -8.352 -8.495 1.00 0.52 N ATOM 1466 CA SER A 93 -17.443 -8.692 -8.362 1.00 0.57 C ATOM 1467 C SER A 93 -17.852 -8.693 -6.888 1.00 0.58 C ATOM 1468 O SER A 93 -18.283 -9.714 -6.354 1.00 0.70 O ATOM 1469 CB SER A 93 -17.710 -10.063 -8.985 1.00 0.62 C ATOM 1470 OG SER A 93 -17.052 -10.184 -10.234 1.00 0.70 O ATOM 0 H SER A 93 -15.405 -9.155 -8.544 1.00 0.52 H new ATOM 0 HA SER A 93 -18.037 -7.943 -8.887 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.367 -10.847 -8.310 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.783 -10.204 -9.119 1.00 0.62 H new ATOM 0 HG SER A 93 -17.234 -11.068 -10.615 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.697 -7.548 -6.235 1.00 0.57 N ATOM 1477 CA LYS A 94 -18.036 -7.418 -4.822 1.00 0.60 C ATOM 1478 C LYS A 94 -18.797 -6.119 -4.571 1.00 0.71 C ATOM 1479 O LYS A 94 -18.360 -5.049 -4.996 1.00 0.82 O ATOM 1480 CB LYS A 94 -16.765 -7.449 -3.964 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.145 -8.831 -3.831 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.706 -8.762 -3.340 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.613 -8.194 -1.934 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.288 -8.466 -1.314 1.00 0.93 N ATOM 0 H LYS A 94 -17.338 -6.694 -6.662 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.673 -8.258 -4.545 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -16.029 -6.772 -4.397 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -17.000 -7.070 -2.970 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -16.737 -9.429 -3.138 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -16.176 -9.337 -4.796 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -14.268 -9.760 -3.358 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -14.120 -8.144 -4.020 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -14.786 -7.118 -1.965 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -15.399 -8.626 -1.315 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -12.945 -7.608 -0.836 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -13.381 -9.235 -0.620 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -12.610 -8.745 -2.052 1.00 0.93 H new ATOM 1498 N PRO A 95 -19.957 -6.203 -3.900 1.00 0.78 N ATOM 1499 CA PRO A 95 -20.775 -5.025 -3.589 1.00 0.92 C ATOM 1500 C PRO A 95 -20.129 -4.145 -2.519 1.00 0.95 C ATOM 1501 O PRO A 95 -19.395 -4.636 -1.655 1.00 1.03 O ATOM 1502 CB PRO A 95 -22.086 -5.628 -3.081 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.716 -6.970 -2.553 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.564 -7.449 -3.394 1.00 0.84 C ATOM 0 HA PRO A 95 -20.904 -4.372 -4.452 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.530 -5.007 -2.303 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.820 -5.708 -3.883 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -21.432 -6.910 -1.502 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -22.558 -7.659 -2.617 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.854 -8.030 -2.806 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.902 -8.089 -4.209 1.00 0.84 H new ATOM 1512 N MET A 96 -20.403 -2.847 -2.571 1.00 1.06 N ATOM 1513 CA MET A 96 -19.828 -1.911 -1.614 1.00 1.14 C ATOM 1514 C MET A 96 -20.814 -1.573 -0.497 1.00 1.16 C ATOM 1515 O MET A 96 -20.650 -2.036 0.630 1.00 1.25 O ATOM 1516 CB MET A 96 -19.377 -0.638 -2.333 1.00 1.31 C ATOM 1517 CG MET A 96 -18.625 0.337 -1.443 1.00 1.38 C ATOM 1518 SD MET A 96 -17.762 1.614 -2.383 1.00 1.63 S ATOM 1519 CE MET A 96 -19.123 2.386 -3.257 1.00 1.94 C ATOM 0 H MET A 96 -21.018 -2.420 -3.264 1.00 1.06 H new ATOM 0 HA MET A 96 -18.962 -2.388 -1.154 1.00 1.14 H new ATOM 0 HB2 MET A 96 -18.740 -0.913 -3.174 1.00 1.31 H new ATOM 0 HB3 MET A 96 -20.252 -0.137 -2.747 1.00 1.31 H new ATOM 0 HG2 MET A 96 -19.326 0.809 -0.755 1.00 1.38 H new ATOM 0 HG3 MET A 96 -17.904 -0.212 -0.837 1.00 1.38 H new ATOM 0 HE1 MET A 96 -18.803 3.352 -3.648 1.00 1.94 H new ATOM 0 HE2 MET A 96 -19.435 1.746 -4.082 1.00 1.94 H new ATOM 0 HE3 MET A 96 -19.959 2.531 -2.573 1.00 1.94 H new ATOM 1529 N GLU A 97 -21.838 -0.785 -0.830 1.00 1.14 N ATOM 1530 CA GLU A 97 -22.860 -0.355 0.132 1.00 1.22 C ATOM 1531 C GLU A 97 -22.254 0.551 1.205 1.00 1.29 C ATOM 1532 O GLU A 97 -21.641 0.087 2.166 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.557 -1.559 0.776 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.624 -1.179 1.789 1.00 1.50 C ATOM 1535 CD GLU A 97 -24.866 -2.270 2.810 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -23.958 -2.541 3.624 1.00 2.57 O ATOM 1537 OE2 GLU A 97 -25.965 -2.858 2.805 1.00 2.38 O ATOM 0 H GLU A 97 -21.984 -0.426 -1.773 1.00 1.14 H new ATOM 0 HA GLU A 97 -23.609 0.216 -0.416 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -24.012 -2.166 -0.007 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -22.808 -2.181 1.267 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -24.325 -0.265 2.302 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -25.556 -0.961 1.267 1.00 1.50 H new ATOM 1544 N THR A 98 -22.427 1.853 1.035 1.00 1.31 N ATOM 1545 CA THR A 98 -21.892 2.819 1.981 1.00 1.40 C ATOM 1546 C THR A 98 -22.677 4.131 1.920 1.00 1.39 C ATOM 1547 O THR A 98 -23.599 4.265 1.115 1.00 1.35 O ATOM 1548 CB THR A 98 -20.392 3.084 1.712 1.00 1.43 C ATOM 1549 OG1 THR A 98 -19.820 3.845 2.786 1.00 1.57 O ATOM 1550 CG2 THR A 98 -20.189 3.822 0.392 1.00 1.37 C ATOM 0 H THR A 98 -22.934 2.264 0.251 1.00 1.31 H new ATOM 0 HA THR A 98 -21.995 2.397 2.981 1.00 1.40 H new ATOM 0 HB THR A 98 -19.890 2.119 1.647 1.00 1.43 H new ATOM 0 HG1 THR A 98 -18.870 4.004 2.604 1.00 1.57 H new ATOM 0 HG21 THR A 98 -19.125 3.994 0.231 1.00 1.37 H new ATOM 0 HG22 THR A 98 -20.587 3.221 -0.426 1.00 1.37 H new ATOM 0 HG23 THR A 98 -20.710 4.779 0.426 1.00 1.37 H new ATOM 1558 N LEU A 99 -22.304 5.079 2.782 1.00 1.46 N ATOM 1559 CA LEU A 99 -22.950 6.392 2.847 1.00 1.48 C ATOM 1560 C LEU A 99 -24.462 6.263 3.012 1.00 1.52 C ATOM 1561 O LEU A 99 -25.232 6.863 2.265 1.00 1.53 O ATOM 1562 CB LEU A 99 -22.624 7.212 1.593 1.00 1.43 C ATOM 1563 CG LEU A 99 -21.150 7.584 1.421 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -20.892 8.122 0.020 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -20.729 8.604 2.470 1.00 1.61 C ATOM 0 H LEU A 99 -21.546 4.959 3.454 1.00 1.46 H new ATOM 0 HA LEU A 99 -22.559 6.910 3.723 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -22.944 6.648 0.717 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -23.213 8.129 1.615 1.00 1.43 H new ATOM 0 HG LEU A 99 -20.552 6.683 1.558 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -19.838 8.381 -0.082 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -21.152 7.361 -0.716 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -21.501 9.010 -0.147 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -19.678 8.856 2.331 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -21.335 9.504 2.366 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -20.873 8.183 3.465 1.00 1.61 H new ATOM 1577 N ILE A 100 -24.882 5.474 3.987 1.00 1.60 N ATOM 1578 CA ILE A 100 -26.305 5.271 4.237 1.00 1.68 C ATOM 1579 C ILE A 100 -26.825 6.232 5.300 1.00 1.72 C ATOM 1580 O ILE A 100 -28.025 6.483 5.389 1.00 1.83 O ATOM 1581 CB ILE A 100 -26.606 3.821 4.675 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -25.659 3.393 5.802 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -26.492 2.875 3.491 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -26.093 2.134 6.526 1.00 1.79 C ATOM 0 H ILE A 100 -24.263 4.964 4.618 1.00 1.60 H new ATOM 0 HA ILE A 100 -26.816 5.468 3.295 1.00 1.68 H new ATOM 0 HB ILE A 100 -27.628 3.778 5.052 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -24.664 3.236 5.387 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -25.579 4.206 6.524 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -26.707 1.857 3.816 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -27.206 3.168 2.721 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -25.481 2.920 3.085 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -25.372 1.897 7.308 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -27.075 2.291 6.973 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -26.145 1.307 5.818 1.00 1.79 H new ATOM 1596 N THR A 101 -25.919 6.770 6.102 1.00 1.73 N ATOM 1597 CA THR A 101 -26.291 7.694 7.160 1.00 1.77 C ATOM 1598 C THR A 101 -25.609 9.045 6.970 1.00 1.85 C ATOM 1599 O THR A 101 -24.463 9.115 6.524 1.00 1.80 O ATOM 1600 CB THR A 101 -25.921 7.123 8.543 1.00 1.70 C ATOM 1601 OG1 THR A 101 -25.571 5.736 8.421 1.00 1.85 O ATOM 1602 CG2 THR A 101 -27.082 7.272 9.515 1.00 1.98 C ATOM 0 H THR A 101 -24.919 6.581 6.039 1.00 1.73 H new ATOM 0 HA THR A 101 -27.371 7.832 7.109 1.00 1.77 H new ATOM 0 HB THR A 101 -25.068 7.682 8.929 1.00 1.70 H new ATOM 0 HG1 THR A 101 -25.335 5.379 9.303 1.00 1.85 H new ATOM 0 HG21 THR A 101 -26.799 6.863 10.485 1.00 1.98 H new ATOM 0 HG22 THR A 101 -27.331 8.327 9.625 1.00 1.98 H new ATOM 0 HG23 THR A 101 -27.949 6.733 9.132 1.00 1.98 H new ATOM 1610 N THR A 102 -26.326 10.111 7.294 1.00 2.05 N ATOM 1611 CA THR A 102 -25.802 11.460 7.163 1.00 2.18 C ATOM 1612 C THR A 102 -24.994 11.856 8.395 1.00 2.11 C ATOM 1613 O THR A 102 -25.458 11.715 9.530 1.00 2.23 O ATOM 1614 CB THR A 102 -26.945 12.466 6.954 1.00 2.58 C ATOM 1615 OG1 THR A 102 -28.191 11.862 7.334 1.00 2.89 O ATOM 1616 CG2 THR A 102 -27.015 12.918 5.501 1.00 2.72 C ATOM 0 H THR A 102 -27.280 10.065 7.652 1.00 2.05 H new ATOM 0 HA THR A 102 -25.146 11.476 6.293 1.00 2.18 H new ATOM 0 HB THR A 102 -26.754 13.341 7.576 1.00 2.58 H new ATOM 0 HG1 THR A 102 -28.919 12.504 7.202 1.00 2.89 H new ATOM 0 HG21 THR A 102 -27.832 13.629 5.380 1.00 2.72 H new ATOM 0 HG22 THR A 102 -26.075 13.394 5.222 1.00 2.72 H new ATOM 0 HG23 THR A 102 -27.188 12.054 4.859 1.00 2.72 H new ATOM 1624 N VAL A 103 -23.783 12.341 8.169 1.00 2.05 N ATOM 1625 CA VAL A 103 -22.912 12.754 9.261 1.00 2.08 C ATOM 1626 C VAL A 103 -22.894 14.272 9.401 1.00 2.14 C ATOM 1627 O VAL A 103 -22.211 14.819 10.268 1.00 2.25 O ATOM 1628 CB VAL A 103 -21.469 12.251 9.064 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -21.386 10.750 9.300 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -20.953 12.613 7.674 1.00 1.94 C ATOM 0 H VAL A 103 -23.380 12.459 7.239 1.00 2.05 H new ATOM 0 HA VAL A 103 -23.317 12.308 10.169 1.00 2.08 H new ATOM 0 HB VAL A 103 -20.833 12.745 9.798 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -20.359 10.415 9.156 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -21.702 10.524 10.318 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -22.038 10.234 8.595 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -19.933 12.248 7.558 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -21.591 12.154 6.918 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -20.967 13.696 7.551 1.00 1.94 H new ATOM 1640 N ASP A 104 -23.646 14.941 8.541 1.00 2.18 N ATOM 1641 CA ASP A 104 -23.731 16.393 8.556 1.00 2.30 C ATOM 1642 C ASP A 104 -25.165 16.819 8.819 1.00 2.65 C ATOM 1643 O ASP A 104 -25.382 17.959 9.285 1.00 2.86 O ATOM 1644 CB ASP A 104 -23.235 16.988 7.229 1.00 2.32 C ATOM 1645 CG ASP A 104 -24.085 16.584 6.039 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -23.885 15.467 5.508 1.00 2.82 O ATOM 1647 OD2 ASP A 104 -24.948 17.385 5.618 1.00 2.54 O ATOM 0 H ASP A 104 -24.211 14.496 7.818 1.00 2.18 H new ATOM 0 HA ASP A 104 -23.090 16.769 9.354 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -23.224 18.075 7.307 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -22.207 16.670 7.057 1.00 2.32 H new