USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 546 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 76 ASN : amide:sc= -0.0563 K(o=-0.2,f=-1.8) USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 28 GLN : amide:sc= -1.38! K(o=-1.4!,f=0) USER MOD Single : A 31 SER OG : rot -70:sc= 1.24 USER MOD Single : A 36 SER OG : rot -90:sc= 1.19 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= -0.0693 (180deg=-0.301) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.000154 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.622 K(o=0.62,f=-4.8!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 50:sc= 0.196 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 38:sc= -0.0106 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -163:sc= -0.0815 (180deg=-0.455) USER MOD Single : A 68 THR OG1 : rot -82:sc= 0.742 USER MOD Single : A 70 SER OG : rot 122:sc= 0.839 USER MOD Single : A 79 THR OG1 : rot -51:sc= 1.28 USER MOD Single : A 81 GLN : amide:sc= 0.798 K(o=0.8,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0708 USER MOD Single : A 85 HIS : no HD1:sc= -0.159 K(o=-0.16,f=-0.79) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 159:sc= 1.35 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -170:sc= -0.939 (180deg=-1.1) USER MOD Single : A 104 THR OG1 : rot -147:sc= 0.718 USER MOD Single : A 105 SER OG : rot 180:sc= -0.111 USER MOD Single : A 106 ASN : amide:sc= 0.059 K(o=0.059,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 25 -0.084 -7.018 2.191 1.00 0.00 N ATOM 33 CA ASP A 25 1.036 -6.996 3.141 1.00 0.00 C ATOM 34 C ASP A 25 1.835 -5.706 2.949 1.00 0.00 C ATOM 35 O ASP A 25 3.051 -5.647 3.152 1.00 0.00 O ATOM 36 CB ASP A 25 1.930 -8.242 3.006 1.00 0.00 C ATOM 37 CG ASP A 25 2.981 -8.329 4.098 1.00 0.00 C ATOM 38 OD1 ASP A 25 2.703 -7.899 5.239 1.00 0.00 O ATOM 39 OD2 ASP A 25 4.091 -8.830 3.823 1.00 0.00 O ATOM 0 HA ASP A 25 0.635 -7.018 4.154 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.307 -9.136 3.035 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.422 -8.227 2.034 1.00 0.00 H new ATOM 44 N GLY A 26 1.115 -4.662 2.566 1.00 0.00 N ATOM 45 CA GLY A 26 1.699 -3.349 2.421 1.00 0.00 C ATOM 46 C GLY A 26 1.042 -2.572 1.302 1.00 0.00 C ATOM 47 O GLY A 26 0.575 -3.159 0.329 1.00 0.00 O ATOM 0 H GLY A 26 0.119 -4.706 2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.597 -2.799 3.356 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.766 -3.444 2.222 1.00 0.00 H new ATOM 51 N VAL A 27 0.987 -1.260 1.443 1.00 0.00 N ATOM 52 CA VAL A 27 0.371 -0.416 0.433 1.00 0.00 C ATOM 53 C VAL A 27 1.357 0.627 -0.087 1.00 0.00 C ATOM 54 O VAL A 27 2.200 1.130 0.657 1.00 0.00 O ATOM 55 CB VAL A 27 -0.894 0.295 0.973 1.00 0.00 C ATOM 56 CG1 VAL A 27 -1.978 -0.720 1.308 1.00 0.00 C ATOM 57 CG2 VAL A 27 -0.565 1.146 2.189 1.00 0.00 C ATOM 0 H VAL A 27 1.361 -0.755 2.246 1.00 0.00 H new ATOM 0 HA VAL A 27 0.076 -1.071 -0.387 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.269 0.955 0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.859 -0.201 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.243 -1.278 0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.609 -1.409 2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.471 1.634 2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.158 0.513 2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.170 1.903 1.915 1.00 0.00 H new ATOM 67 N GLN A 28 1.270 0.933 -1.370 1.00 0.00 N ATOM 68 CA GLN A 28 2.091 1.975 -1.955 1.00 0.00 C ATOM 69 C GLN A 28 1.221 3.150 -2.372 1.00 0.00 C ATOM 70 O GLN A 28 0.034 2.983 -2.649 1.00 0.00 O ATOM 71 CB GLN A 28 2.877 1.435 -3.155 1.00 0.00 C ATOM 72 CG GLN A 28 3.725 2.487 -3.848 1.00 0.00 C ATOM 73 CD GLN A 28 4.626 1.913 -4.915 1.00 0.00 C ATOM 74 OE1 GLN A 28 4.237 1.793 -6.073 1.00 0.00 O ATOM 75 NE2 GLN A 28 5.843 1.559 -4.533 1.00 0.00 N ATOM 0 H GLN A 28 0.638 0.473 -2.026 1.00 0.00 H new ATOM 0 HA GLN A 28 2.807 2.316 -1.207 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.522 0.623 -2.821 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.178 1.011 -3.876 1.00 0.00 H new ATOM 0 HG2 GLN A 28 3.071 3.234 -4.297 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.334 3.002 -3.105 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.126 1.676 -3.560 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.497 1.170 -5.212 1.00 0.00 H new ATOM 84 N ILE A 29 1.809 4.333 -2.401 1.00 0.00 N ATOM 85 CA ILE A 29 1.093 5.528 -2.806 1.00 0.00 C ATOM 86 C ILE A 29 0.991 5.582 -4.322 1.00 0.00 C ATOM 87 O ILE A 29 2.000 5.731 -5.014 1.00 0.00 O ATOM 88 CB ILE A 29 1.783 6.815 -2.303 1.00 0.00 C ATOM 89 CG1 ILE A 29 1.970 6.767 -0.783 1.00 0.00 C ATOM 90 CG2 ILE A 29 0.968 8.042 -2.701 1.00 0.00 C ATOM 91 CD1 ILE A 29 2.706 7.963 -0.216 1.00 0.00 C ATOM 0 H ILE A 29 2.784 4.491 -2.148 1.00 0.00 H new ATOM 0 HA ILE A 29 0.100 5.477 -2.360 1.00 0.00 H new ATOM 0 HB ILE A 29 2.767 6.884 -2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.991 6.697 -0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.516 5.860 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.466 8.942 -2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.882 8.085 -3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.027 7.976 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.798 7.855 0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.699 8.023 -0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.151 8.873 -0.443 1.00 0.00 H new ATOM 103 N ASP A 30 -0.225 5.443 -4.822 1.00 0.00 N ATOM 104 CA ASP A 30 -0.490 5.503 -6.255 1.00 0.00 C ATOM 105 C ASP A 30 -0.162 6.887 -6.778 1.00 0.00 C ATOM 106 O ASP A 30 0.764 7.070 -7.570 1.00 0.00 O ATOM 107 CB ASP A 30 -1.960 5.189 -6.536 1.00 0.00 C ATOM 108 CG ASP A 30 -2.313 5.287 -8.010 1.00 0.00 C ATOM 109 OD1 ASP A 30 -2.080 4.305 -8.746 1.00 0.00 O ATOM 110 OD2 ASP A 30 -2.846 6.341 -8.431 1.00 0.00 O ATOM 0 H ASP A 30 -1.056 5.286 -4.251 1.00 0.00 H new ATOM 0 HA ASP A 30 0.134 4.764 -6.758 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.187 4.184 -6.179 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.588 5.877 -5.970 1.00 0.00 H new ATOM 115 N SER A 31 -0.921 7.859 -6.308 1.00 0.00 N ATOM 116 CA SER A 31 -0.721 9.242 -6.697 1.00 0.00 C ATOM 117 C SER A 31 -1.291 10.182 -5.644 1.00 0.00 C ATOM 118 O SER A 31 -2.190 9.811 -4.888 1.00 0.00 O ATOM 119 CB SER A 31 -1.374 9.500 -8.055 1.00 0.00 C ATOM 120 OG SER A 31 -2.714 9.037 -8.071 1.00 0.00 O ATOM 0 H SER A 31 -1.688 7.714 -5.651 1.00 0.00 H new ATOM 0 HA SER A 31 0.349 9.432 -6.779 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.352 10.567 -8.276 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.803 9.000 -8.838 1.00 0.00 H new ATOM 0 HG SER A 31 -2.722 8.057 -8.059 1.00 0.00 H new ATOM 126 N VAL A 32 -0.750 11.383 -5.584 1.00 0.00 N ATOM 127 CA VAL A 32 -1.239 12.400 -4.675 1.00 0.00 C ATOM 128 C VAL A 32 -2.305 13.241 -5.376 1.00 0.00 C ATOM 129 O VAL A 32 -2.230 13.470 -6.586 1.00 0.00 O ATOM 130 CB VAL A 32 -0.085 13.302 -4.166 1.00 0.00 C ATOM 131 CG1 VAL A 32 0.536 14.109 -5.298 1.00 0.00 C ATOM 132 CG2 VAL A 32 -0.559 14.218 -3.050 1.00 0.00 C ATOM 0 H VAL A 32 0.037 11.680 -6.161 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.679 11.908 -3.808 1.00 0.00 H new ATOM 0 HB VAL A 32 0.687 12.646 -3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.341 14.729 -4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.936 13.431 -6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.224 14.746 -5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.271 14.839 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.363 14.855 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.925 13.618 -2.217 1.00 0.00 H new ATOM 142 N VAL A 33 -3.319 13.650 -4.634 1.00 0.00 N ATOM 143 CA VAL A 33 -4.368 14.496 -5.176 1.00 0.00 C ATOM 144 C VAL A 33 -4.090 15.958 -4.841 1.00 0.00 C ATOM 145 O VAL A 33 -4.076 16.343 -3.667 1.00 0.00 O ATOM 146 CB VAL A 33 -5.757 14.095 -4.631 1.00 0.00 C ATOM 147 CG1 VAL A 33 -6.849 14.967 -5.233 1.00 0.00 C ATOM 148 CG2 VAL A 33 -6.041 12.627 -4.916 1.00 0.00 C ATOM 0 H VAL A 33 -3.438 13.409 -3.650 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.374 14.363 -6.258 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.751 14.247 -3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.817 14.665 -4.834 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.662 16.011 -4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.851 14.851 -6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.024 12.364 -4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.021 12.455 -5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.282 12.010 -4.436 1.00 0.00 H new ATOM 158 N PRO A 34 -3.838 16.783 -5.874 1.00 0.00 N ATOM 159 CA PRO A 34 -3.580 18.216 -5.709 1.00 0.00 C ATOM 160 C PRO A 34 -4.703 18.916 -4.950 1.00 0.00 C ATOM 161 O PRO A 34 -5.867 18.878 -5.361 1.00 0.00 O ATOM 162 CB PRO A 34 -3.495 18.737 -7.147 1.00 0.00 C ATOM 163 CG PRO A 34 -3.122 17.547 -7.960 1.00 0.00 C ATOM 164 CD PRO A 34 -3.778 16.374 -7.289 1.00 0.00 C ATOM 0 HA PRO A 34 -2.678 18.404 -5.126 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.447 19.156 -7.473 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.750 19.528 -7.238 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.466 17.652 -8.989 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.040 17.422 -7.997 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.771 16.182 -7.695 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.198 15.460 -7.419 1.00 0.00 H new ATOM 172 N GLY A 35 -4.339 19.546 -3.847 1.00 0.00 N ATOM 173 CA GLY A 35 -5.311 20.188 -2.991 1.00 0.00 C ATOM 174 C GLY A 35 -5.264 19.639 -1.579 1.00 0.00 C ATOM 175 O GLY A 35 -6.109 19.965 -0.742 1.00 0.00 O ATOM 0 H GLY A 35 -3.374 19.625 -3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.125 21.262 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.310 20.046 -3.404 1.00 0.00 H new ATOM 179 N SER A 36 -4.267 18.808 -1.310 1.00 0.00 N ATOM 180 CA SER A 36 -4.117 18.194 -0.003 1.00 0.00 C ATOM 181 C SER A 36 -2.762 18.557 0.607 1.00 0.00 C ATOM 182 O SER A 36 -1.785 18.778 -0.115 1.00 0.00 O ATOM 183 CB SER A 36 -4.260 16.674 -0.126 1.00 0.00 C ATOM 184 OG SER A 36 -3.306 16.140 -1.028 1.00 0.00 O ATOM 0 H SER A 36 -3.548 18.544 -1.984 1.00 0.00 H new ATOM 0 HA SER A 36 -4.899 18.571 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.135 16.214 0.854 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.265 16.427 -0.468 1.00 0.00 H new ATOM 0 HG SER A 36 -3.685 16.121 -1.932 1.00 0.00 H new ATOM 190 N PRO A 37 -2.683 18.624 1.949 1.00 0.00 N ATOM 191 CA PRO A 37 -1.437 18.955 2.654 1.00 0.00 C ATOM 192 C PRO A 37 -0.376 17.867 2.508 1.00 0.00 C ATOM 193 O PRO A 37 0.808 18.100 2.755 1.00 0.00 O ATOM 194 CB PRO A 37 -1.873 19.079 4.116 1.00 0.00 C ATOM 195 CG PRO A 37 -3.116 18.263 4.214 1.00 0.00 C ATOM 196 CD PRO A 37 -3.801 18.399 2.885 1.00 0.00 C ATOM 0 HA PRO A 37 -0.976 19.858 2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.102 18.708 4.791 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.060 20.118 4.386 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.883 17.220 4.429 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.755 18.620 5.022 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.365 17.502 2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.505 19.231 2.878 1.00 0.00 H new ATOM 204 N ALA A 38 -0.810 16.683 2.088 1.00 0.00 N ATOM 205 CA ALA A 38 0.080 15.536 1.953 1.00 0.00 C ATOM 206 C ALA A 38 1.201 15.811 0.959 1.00 0.00 C ATOM 207 O ALA A 38 2.341 15.399 1.172 1.00 0.00 O ATOM 208 CB ALA A 38 -0.710 14.307 1.531 1.00 0.00 C ATOM 0 H ALA A 38 -1.779 16.493 1.834 1.00 0.00 H new ATOM 0 HA ALA A 38 0.537 15.351 2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.035 13.457 1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.467 14.085 2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.195 14.497 0.574 1.00 0.00 H new ATOM 214 N SER A 39 0.876 16.538 -0.103 1.00 0.00 N ATOM 215 CA SER A 39 1.826 16.817 -1.172 1.00 0.00 C ATOM 216 C SER A 39 2.998 17.671 -0.677 1.00 0.00 C ATOM 217 O SER A 39 4.088 17.644 -1.257 1.00 0.00 O ATOM 218 CB SER A 39 1.108 17.519 -2.328 1.00 0.00 C ATOM 219 OG SER A 39 1.958 17.669 -3.455 1.00 0.00 O ATOM 0 H SER A 39 -0.047 16.948 -0.247 1.00 0.00 H new ATOM 0 HA SER A 39 2.236 15.868 -1.519 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.225 16.946 -2.611 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.760 18.499 -2.000 1.00 0.00 H new ATOM 0 HG SER A 39 1.469 18.119 -4.176 1.00 0.00 H new ATOM 225 N LYS A 40 2.781 18.414 0.399 1.00 0.00 N ATOM 226 CA LYS A 40 3.803 19.307 0.930 1.00 0.00 C ATOM 227 C LYS A 40 4.792 18.537 1.801 1.00 0.00 C ATOM 228 O LYS A 40 5.955 18.926 1.939 1.00 0.00 O ATOM 229 CB LYS A 40 3.148 20.436 1.736 1.00 0.00 C ATOM 230 CG LYS A 40 4.129 21.489 2.240 1.00 0.00 C ATOM 231 CD LYS A 40 3.405 22.629 2.934 1.00 0.00 C ATOM 232 CE LYS A 40 4.366 23.711 3.406 1.00 0.00 C ATOM 233 NZ LYS A 40 5.167 24.281 2.287 1.00 0.00 N ATOM 0 H LYS A 40 1.906 18.417 0.922 1.00 0.00 H new ATOM 0 HA LYS A 40 4.351 19.742 0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.396 20.923 1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.625 20.003 2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.836 21.030 2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.709 21.879 1.404 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.676 23.065 2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.850 22.240 3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.803 24.509 3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.038 23.295 4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.626 25.160 2.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.893 23.596 1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.542 24.486 1.482 1.00 0.00 H new ATOM 247 N VAL A 41 4.333 17.429 2.368 1.00 0.00 N ATOM 248 CA VAL A 41 5.152 16.655 3.289 1.00 0.00 C ATOM 249 C VAL A 41 5.792 15.453 2.595 1.00 0.00 C ATOM 250 O VAL A 41 7.015 15.305 2.603 1.00 0.00 O ATOM 251 CB VAL A 41 4.329 16.175 4.505 1.00 0.00 C ATOM 252 CG1 VAL A 41 5.222 15.482 5.523 1.00 0.00 C ATOM 253 CG2 VAL A 41 3.591 17.341 5.148 1.00 0.00 C ATOM 0 H VAL A 41 3.401 17.048 2.207 1.00 0.00 H new ATOM 0 HA VAL A 41 5.944 17.317 3.640 1.00 0.00 H new ATOM 0 HB VAL A 41 3.592 15.454 4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.620 15.153 6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.700 14.619 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.987 16.177 5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.017 16.982 6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.311 18.088 5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.915 17.790 4.420 1.00 0.00 H new ATOM 263 N LEU A 42 4.974 14.603 1.981 1.00 0.00 N ATOM 264 CA LEU A 42 5.483 13.402 1.340 1.00 0.00 C ATOM 265 C LEU A 42 5.415 13.494 -0.172 1.00 0.00 C ATOM 266 O LEU A 42 5.011 14.513 -0.739 1.00 0.00 O ATOM 267 CB LEU A 42 4.730 12.161 1.828 1.00 0.00 C ATOM 268 CG LEU A 42 3.206 12.289 1.947 1.00 0.00 C ATOM 269 CD1 LEU A 42 2.531 12.189 0.586 1.00 0.00 C ATOM 270 CD2 LEU A 42 2.669 11.225 2.887 1.00 0.00 C ATOM 0 H LEU A 42 3.963 14.725 1.916 1.00 0.00 H new ATOM 0 HA LEU A 42 6.532 13.311 1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.951 11.338 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.127 11.883 2.805 1.00 0.00 H new ATOM 0 HG LEU A 42 2.979 13.274 2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.452 12.284 0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.895 12.988 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.762 11.224 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.586 11.322 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.917 10.237 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.118 11.350 3.872 1.00 0.00 H new ATOM 282 N THR A 43 5.824 12.420 -0.812 1.00 0.00 N ATOM 283 CA THR A 43 5.826 12.332 -2.260 1.00 0.00 C ATOM 284 C THR A 43 5.099 11.071 -2.724 1.00 0.00 C ATOM 285 O THR A 43 5.161 10.032 -2.061 1.00 0.00 O ATOM 286 CB THR A 43 7.267 12.328 -2.804 1.00 0.00 C ATOM 287 OG1 THR A 43 8.096 11.491 -1.982 1.00 0.00 O ATOM 288 CG2 THR A 43 7.840 13.738 -2.849 1.00 0.00 C ATOM 0 H THR A 43 6.166 11.581 -0.344 1.00 0.00 H new ATOM 0 HA THR A 43 5.304 13.206 -2.649 1.00 0.00 H new ATOM 0 HB THR A 43 7.247 11.935 -3.821 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.011 11.491 -2.333 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.858 13.705 -3.237 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.224 14.360 -3.498 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.848 14.160 -1.844 1.00 0.00 H new ATOM 296 N PRO A 44 4.367 11.152 -3.847 1.00 0.00 N ATOM 297 CA PRO A 44 3.705 9.989 -4.436 1.00 0.00 C ATOM 298 C PRO A 44 4.715 8.973 -4.961 1.00 0.00 C ATOM 299 O PRO A 44 5.788 9.342 -5.448 1.00 0.00 O ATOM 300 CB PRO A 44 2.882 10.578 -5.585 1.00 0.00 C ATOM 301 CG PRO A 44 3.550 11.867 -5.916 1.00 0.00 C ATOM 302 CD PRO A 44 4.108 12.382 -4.618 1.00 0.00 C ATOM 0 HA PRO A 44 3.098 9.449 -3.709 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.869 9.908 -6.445 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.845 10.736 -5.288 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.341 11.720 -6.651 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.842 12.575 -6.346 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.020 12.959 -4.773 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.401 13.035 -4.107 1.00 0.00 H new ATOM 310 N GLY A 45 4.365 7.699 -4.866 1.00 0.00 N ATOM 311 CA GLY A 45 5.267 6.648 -5.297 1.00 0.00 C ATOM 312 C GLY A 45 5.960 5.963 -4.135 1.00 0.00 C ATOM 313 O GLY A 45 6.649 4.957 -4.320 1.00 0.00 O ATOM 0 H GLY A 45 3.472 7.373 -4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.709 5.908 -5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.017 7.070 -5.966 1.00 0.00 H new ATOM 317 N LEU A 46 5.783 6.501 -2.938 1.00 0.00 N ATOM 318 CA LEU A 46 6.385 5.914 -1.750 1.00 0.00 C ATOM 319 C LEU A 46 5.559 4.736 -1.252 1.00 0.00 C ATOM 320 O LEU A 46 4.397 4.580 -1.619 1.00 0.00 O ATOM 321 CB LEU A 46 6.510 6.957 -0.634 1.00 0.00 C ATOM 322 CG LEU A 46 7.456 8.122 -0.920 1.00 0.00 C ATOM 323 CD1 LEU A 46 7.470 9.094 0.249 1.00 0.00 C ATOM 324 CD2 LEU A 46 8.857 7.617 -1.206 1.00 0.00 C ATOM 0 H LEU A 46 5.230 7.340 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 46 7.380 5.561 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.519 7.360 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.846 6.454 0.273 1.00 0.00 H new ATOM 0 HG LEU A 46 7.095 8.647 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.149 9.918 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.465 9.485 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.806 8.577 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.515 8.463 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.228 7.066 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.836 6.959 -2.075 1.00 0.00 H new ATOM 336 N VAL A 47 6.161 3.919 -0.407 1.00 0.00 N ATOM 337 CA VAL A 47 5.465 2.792 0.198 1.00 0.00 C ATOM 338 C VAL A 47 5.105 3.133 1.638 1.00 0.00 C ATOM 339 O VAL A 47 5.915 3.713 2.355 1.00 0.00 O ATOM 340 CB VAL A 47 6.335 1.515 0.176 1.00 0.00 C ATOM 341 CG1 VAL A 47 5.572 0.318 0.721 1.00 0.00 C ATOM 342 CG2 VAL A 47 6.845 1.231 -1.232 1.00 0.00 C ATOM 0 H VAL A 47 7.136 4.014 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 47 4.562 2.600 -0.381 1.00 0.00 H new ATOM 0 HB VAL A 47 7.194 1.688 0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.211 -0.565 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.272 0.516 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.685 0.144 0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.455 0.328 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.998 1.090 -1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.447 2.072 -1.577 1.00 0.00 H new ATOM 352 N ILE A 48 3.894 2.789 2.049 1.00 0.00 N ATOM 353 CA ILE A 48 3.432 3.079 3.401 1.00 0.00 C ATOM 354 C ILE A 48 3.471 1.824 4.261 1.00 0.00 C ATOM 355 O ILE A 48 2.839 0.818 3.937 1.00 0.00 O ATOM 356 CB ILE A 48 1.997 3.650 3.398 1.00 0.00 C ATOM 357 CG1 ILE A 48 1.931 4.916 2.539 1.00 0.00 C ATOM 358 CG2 ILE A 48 1.533 3.939 4.818 1.00 0.00 C ATOM 359 CD1 ILE A 48 0.548 5.522 2.452 1.00 0.00 C ATOM 0 H ILE A 48 3.210 2.307 1.465 1.00 0.00 H new ATOM 0 HA ILE A 48 4.104 3.828 3.818 1.00 0.00 H new ATOM 0 HB ILE A 48 1.328 2.905 2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.618 5.657 2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.278 4.680 1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.520 4.341 4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.545 3.017 5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.201 4.667 5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.581 6.415 1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.140 4.798 2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.205 5.791 3.451 1.00 0.00 H new ATOM 371 N GLU A 49 4.224 1.882 5.352 1.00 0.00 N ATOM 372 CA GLU A 49 4.297 0.764 6.279 1.00 0.00 C ATOM 373 C GLU A 49 3.122 0.783 7.243 1.00 0.00 C ATOM 374 O GLU A 49 2.462 -0.235 7.460 1.00 0.00 O ATOM 375 CB GLU A 49 5.599 0.785 7.077 1.00 0.00 C ATOM 376 CG GLU A 49 6.850 0.627 6.230 1.00 0.00 C ATOM 377 CD GLU A 49 8.076 0.329 7.069 1.00 0.00 C ATOM 378 OE1 GLU A 49 8.352 1.086 8.023 1.00 0.00 O ATOM 379 OE2 GLU A 49 8.768 -0.674 6.787 1.00 0.00 O ATOM 0 H GLU A 49 4.790 2.689 5.615 1.00 0.00 H new ATOM 0 HA GLU A 49 4.263 -0.148 5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.661 1.725 7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.571 -0.015 7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.700 -0.178 5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.017 1.540 5.658 1.00 0.00 H new ATOM 386 N SER A 50 2.853 1.944 7.816 1.00 0.00 N ATOM 387 CA SER A 50 1.837 2.047 8.843 1.00 0.00 C ATOM 388 C SER A 50 1.208 3.426 8.892 1.00 0.00 C ATOM 389 O SER A 50 1.866 4.438 8.634 1.00 0.00 O ATOM 390 CB SER A 50 2.436 1.697 10.207 1.00 0.00 C ATOM 391 OG SER A 50 3.704 2.314 10.385 1.00 0.00 O ATOM 0 H SER A 50 3.321 2.821 7.588 1.00 0.00 H new ATOM 0 HA SER A 50 1.048 1.338 8.593 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.758 2.018 10.998 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.539 0.615 10.295 1.00 0.00 H new ATOM 0 HG SER A 50 4.063 2.075 11.265 1.00 0.00 H new ATOM 397 N ILE A 51 -0.073 3.438 9.224 1.00 0.00 N ATOM 398 CA ILE A 51 -0.809 4.667 9.457 1.00 0.00 C ATOM 399 C ILE A 51 -1.137 4.751 10.941 1.00 0.00 C ATOM 400 O ILE A 51 -2.047 4.071 11.415 1.00 0.00 O ATOM 401 CB ILE A 51 -2.121 4.726 8.639 1.00 0.00 C ATOM 402 CG1 ILE A 51 -1.831 4.674 7.137 1.00 0.00 C ATOM 403 CG2 ILE A 51 -2.904 5.984 8.982 1.00 0.00 C ATOM 404 CD1 ILE A 51 -1.004 5.839 6.628 1.00 0.00 C ATOM 0 H ILE A 51 -0.632 2.593 9.339 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.190 5.506 9.139 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.723 3.856 8.901 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.309 3.744 6.910 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.777 4.649 6.595 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.824 6.010 8.398 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.148 5.982 10.044 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.302 6.862 8.750 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.842 5.729 5.556 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.533 6.772 6.821 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.042 5.854 7.141 1.00 0.00 H new ATOM 416 N ASN A 52 -0.370 5.556 11.672 1.00 0.00 N ATOM 417 CA ASN A 52 -0.470 5.608 13.130 1.00 0.00 C ATOM 418 C ASN A 52 -0.012 4.257 13.684 1.00 0.00 C ATOM 419 O ASN A 52 0.813 3.586 13.061 1.00 0.00 O ATOM 420 CB ASN A 52 -1.902 5.937 13.576 1.00 0.00 C ATOM 421 CG ASN A 52 -1.963 6.589 14.947 1.00 0.00 C ATOM 422 OD1 ASN A 52 -2.009 5.910 15.973 1.00 0.00 O ATOM 423 ND2 ASN A 52 -1.966 7.913 14.967 1.00 0.00 N ATOM 0 H ASN A 52 0.330 6.184 11.278 1.00 0.00 H new ATOM 0 HA ASN A 52 0.167 6.402 13.519 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.361 6.601 12.844 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.492 5.021 13.589 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.008 8.410 15.857 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.927 8.436 14.092 1.00 0.00 H new ATOM 430 N GLY A 53 -0.516 3.859 14.845 1.00 0.00 N ATOM 431 CA GLY A 53 -0.171 2.559 15.398 1.00 0.00 C ATOM 432 C GLY A 53 -0.845 1.410 14.660 1.00 0.00 C ATOM 433 O GLY A 53 -0.767 0.257 15.090 1.00 0.00 O ATOM 0 H GLY A 53 -1.157 4.411 15.415 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.910 2.427 15.358 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.457 2.528 16.449 1.00 0.00 H new ATOM 437 N MET A 54 -1.511 1.725 13.554 1.00 0.00 N ATOM 438 CA MET A 54 -2.207 0.724 12.757 1.00 0.00 C ATOM 439 C MET A 54 -1.506 0.544 11.408 1.00 0.00 C ATOM 440 O MET A 54 -1.635 1.380 10.514 1.00 0.00 O ATOM 441 CB MET A 54 -3.670 1.131 12.524 1.00 0.00 C ATOM 442 CG MET A 54 -4.447 1.456 13.795 1.00 0.00 C ATOM 443 SD MET A 54 -4.018 3.072 14.487 1.00 0.00 S ATOM 444 CE MET A 54 -5.088 3.124 15.920 1.00 0.00 C ATOM 0 H MET A 54 -1.583 2.674 13.188 1.00 0.00 H new ATOM 0 HA MET A 54 -2.188 -0.218 13.305 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.692 2.001 11.868 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.179 0.323 11.999 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.515 1.431 13.579 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.254 0.684 14.540 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.938 4.063 16.452 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.128 3.049 15.601 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.851 2.291 16.581 1.00 0.00 H new ATOM 454 N PRO A 55 -0.728 -0.534 11.250 1.00 0.00 N ATOM 455 CA PRO A 55 -0.020 -0.805 10.002 1.00 0.00 C ATOM 456 C PRO A 55 -0.964 -1.237 8.886 1.00 0.00 C ATOM 457 O PRO A 55 -1.714 -2.209 9.027 1.00 0.00 O ATOM 458 CB PRO A 55 0.943 -1.929 10.364 1.00 0.00 C ATOM 459 CG PRO A 55 0.327 -2.609 11.538 1.00 0.00 C ATOM 460 CD PRO A 55 -0.475 -1.565 12.272 1.00 0.00 C ATOM 0 HA PRO A 55 0.482 0.083 9.619 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.072 -2.621 9.531 1.00 0.00 H new ATOM 0 HB3 PRO A 55 1.930 -1.538 10.609 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.311 -3.432 11.217 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.094 -3.034 12.186 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.405 -1.977 12.663 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.076 -1.160 13.121 1.00 0.00 H new ATOM 468 N THR A 56 -0.914 -0.518 7.777 1.00 0.00 N ATOM 469 CA THR A 56 -1.812 -0.769 6.663 1.00 0.00 C ATOM 470 C THR A 56 -1.196 -1.738 5.661 1.00 0.00 C ATOM 471 O THR A 56 -0.400 -1.346 4.806 1.00 0.00 O ATOM 472 CB THR A 56 -2.183 0.543 5.953 1.00 0.00 C ATOM 473 OG1 THR A 56 -1.000 1.323 5.728 1.00 0.00 O ATOM 474 CG2 THR A 56 -3.181 1.345 6.776 1.00 0.00 C ATOM 0 H THR A 56 -0.258 0.248 7.624 1.00 0.00 H new ATOM 0 HA THR A 56 -2.716 -1.221 7.071 1.00 0.00 H new ATOM 0 HB THR A 56 -2.646 0.298 4.997 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.312 0.762 5.314 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.427 2.268 6.251 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.088 0.758 6.921 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.744 1.584 7.746 1.00 0.00 H new ATOM 482 N SER A 57 -1.555 -3.003 5.789 1.00 0.00 N ATOM 483 CA SER A 57 -1.066 -4.033 4.889 1.00 0.00 C ATOM 484 C SER A 57 -2.062 -4.262 3.755 1.00 0.00 C ATOM 485 O SER A 57 -1.714 -4.803 2.706 1.00 0.00 O ATOM 486 CB SER A 57 -0.848 -5.333 5.664 1.00 0.00 C ATOM 487 OG SER A 57 -0.074 -5.103 6.831 1.00 0.00 O ATOM 0 H SER A 57 -2.188 -3.344 6.513 1.00 0.00 H new ATOM 0 HA SER A 57 -0.119 -3.707 4.460 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.811 -5.762 5.940 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.345 -6.061 5.027 1.00 0.00 H new ATOM 0 HG SER A 57 0.052 -5.948 7.312 1.00 0.00 H new ATOM 493 N ASN A 58 -3.302 -3.844 3.971 1.00 0.00 N ATOM 494 CA ASN A 58 -4.347 -4.029 2.972 1.00 0.00 C ATOM 495 C ASN A 58 -4.976 -2.691 2.619 1.00 0.00 C ATOM 496 O ASN A 58 -4.818 -1.706 3.347 1.00 0.00 O ATOM 497 CB ASN A 58 -5.441 -4.977 3.477 1.00 0.00 C ATOM 498 CG ASN A 58 -4.934 -6.362 3.835 1.00 0.00 C ATOM 499 OD1 ASN A 58 -3.954 -6.852 3.278 1.00 0.00 O ATOM 500 ND2 ASN A 58 -5.613 -7.007 4.765 1.00 0.00 N ATOM 0 H ASN A 58 -3.608 -3.377 4.824 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.884 -4.468 2.088 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.915 -4.536 4.354 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.211 -5.069 2.711 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.329 -7.946 5.044 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.421 -6.566 5.204 1.00 0.00 H new ATOM 507 N LEU A 59 -5.700 -2.660 1.514 1.00 0.00 N ATOM 508 CA LEU A 59 -6.387 -1.464 1.090 1.00 0.00 C ATOM 509 C LEU A 59 -7.631 -1.251 1.942 1.00 0.00 C ATOM 510 O LEU A 59 -8.043 -0.119 2.197 1.00 0.00 O ATOM 511 CB LEU A 59 -6.753 -1.595 -0.385 1.00 0.00 C ATOM 512 CG LEU A 59 -5.564 -1.626 -1.345 1.00 0.00 C ATOM 513 CD1 LEU A 59 -6.034 -1.779 -2.781 1.00 0.00 C ATOM 514 CD2 LEU A 59 -4.722 -0.372 -1.193 1.00 0.00 C ATOM 0 H LEU A 59 -5.825 -3.459 0.893 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.738 -0.598 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.334 -2.507 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.400 -0.762 -0.659 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.947 -2.489 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.171 -1.799 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.593 -2.709 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.676 -0.939 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.881 -0.413 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.331 0.504 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.349 -0.306 -0.171 1.00 0.00 H new ATOM 526 N THR A 60 -8.208 -2.354 2.400 1.00 0.00 N ATOM 527 CA THR A 60 -9.383 -2.312 3.252 1.00 0.00 C ATOM 528 C THR A 60 -9.043 -1.751 4.634 1.00 0.00 C ATOM 529 O THR A 60 -9.813 -0.977 5.202 1.00 0.00 O ATOM 530 CB THR A 60 -9.994 -3.720 3.401 1.00 0.00 C ATOM 531 OG1 THR A 60 -10.085 -4.346 2.114 1.00 0.00 O ATOM 532 CG2 THR A 60 -11.377 -3.654 4.033 1.00 0.00 C ATOM 0 H THR A 60 -7.876 -3.296 2.192 1.00 0.00 H new ATOM 0 HA THR A 60 -10.111 -1.653 2.779 1.00 0.00 H new ATOM 0 HB THR A 60 -9.346 -4.305 4.053 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.472 -5.241 2.212 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.783 -4.661 4.126 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.304 -3.200 5.021 1.00 0.00 H new ATOM 0 HG23 THR A 60 -12.036 -3.054 3.405 1.00 0.00 H new ATOM 540 N THR A 61 -7.884 -2.124 5.168 1.00 0.00 N ATOM 541 CA THR A 61 -7.469 -1.644 6.476 1.00 0.00 C ATOM 542 C THR A 61 -7.098 -0.166 6.425 1.00 0.00 C ATOM 543 O THR A 61 -7.231 0.547 7.416 1.00 0.00 O ATOM 544 CB THR A 61 -6.296 -2.466 7.037 1.00 0.00 C ATOM 545 OG1 THR A 61 -5.458 -2.915 5.971 1.00 0.00 O ATOM 546 CG2 THR A 61 -6.806 -3.660 7.830 1.00 0.00 C ATOM 0 H THR A 61 -7.221 -2.754 4.716 1.00 0.00 H new ATOM 0 HA THR A 61 -8.319 -1.768 7.147 1.00 0.00 H new ATOM 0 HB THR A 61 -5.718 -1.827 7.704 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.389 -2.213 5.291 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.960 -4.228 8.218 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.419 -3.310 8.660 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.405 -4.299 7.181 1.00 0.00 H new ATOM 554 N TYR A 62 -6.650 0.293 5.261 1.00 0.00 N ATOM 555 CA TYR A 62 -6.407 1.713 5.050 1.00 0.00 C ATOM 556 C TYR A 62 -7.724 2.478 5.146 1.00 0.00 C ATOM 557 O TYR A 62 -7.792 3.557 5.737 1.00 0.00 O ATOM 558 CB TYR A 62 -5.749 1.946 3.685 1.00 0.00 C ATOM 559 CG TYR A 62 -5.449 3.400 3.389 1.00 0.00 C ATOM 560 CD1 TYR A 62 -4.394 4.055 4.014 1.00 0.00 C ATOM 561 CD2 TYR A 62 -6.220 4.117 2.480 1.00 0.00 C ATOM 562 CE1 TYR A 62 -4.116 5.382 3.742 1.00 0.00 C ATOM 563 CE2 TYR A 62 -5.948 5.445 2.204 1.00 0.00 C ATOM 564 CZ TYR A 62 -4.896 6.073 2.837 1.00 0.00 C ATOM 565 OH TYR A 62 -4.620 7.393 2.562 1.00 0.00 O ATOM 0 H TYR A 62 -6.449 -0.296 4.453 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.728 2.077 5.821 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.821 1.377 3.638 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.403 1.554 2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.781 3.519 4.724 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.044 3.629 1.982 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.292 5.876 4.236 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.557 5.988 1.496 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.262 7.731 1.903 1.00 0.00 H new ATOM 575 N SER A 63 -8.771 1.896 4.576 1.00 0.00 N ATOM 576 CA SER A 63 -10.105 2.471 4.650 1.00 0.00 C ATOM 577 C SER A 63 -10.607 2.435 6.095 1.00 0.00 C ATOM 578 O SER A 63 -11.155 3.414 6.597 1.00 0.00 O ATOM 579 CB SER A 63 -11.063 1.702 3.728 1.00 0.00 C ATOM 580 OG SER A 63 -12.247 2.442 3.474 1.00 0.00 O ATOM 0 H SER A 63 -8.720 1.021 4.055 1.00 0.00 H new ATOM 0 HA SER A 63 -10.066 3.509 4.319 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.562 1.480 2.786 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.321 0.747 4.185 1.00 0.00 H new ATOM 0 HG SER A 63 -12.835 1.926 2.883 1.00 0.00 H new ATOM 586 N ALA A 64 -10.383 1.309 6.770 1.00 0.00 N ATOM 587 CA ALA A 64 -10.805 1.148 8.157 1.00 0.00 C ATOM 588 C ALA A 64 -10.102 2.155 9.056 1.00 0.00 C ATOM 589 O ALA A 64 -10.665 2.631 10.041 1.00 0.00 O ATOM 590 CB ALA A 64 -10.528 -0.270 8.630 1.00 0.00 C ATOM 0 H ALA A 64 -9.911 0.495 6.377 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.878 1.333 8.213 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.848 -0.377 9.667 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.077 -0.975 8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.460 -0.476 8.557 1.00 0.00 H new ATOM 596 N ALA A 65 -8.866 2.481 8.706 1.00 0.00 N ATOM 597 CA ALA A 65 -8.117 3.488 9.435 1.00 0.00 C ATOM 598 C ALA A 65 -8.729 4.860 9.196 1.00 0.00 C ATOM 599 O ALA A 65 -9.024 5.588 10.134 1.00 0.00 O ATOM 600 CB ALA A 65 -6.654 3.474 9.019 1.00 0.00 C ATOM 0 H ALA A 65 -8.364 2.063 7.923 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.167 3.261 10.500 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.110 4.236 9.577 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.225 2.494 9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.577 3.682 7.952 1.00 0.00 H new ATOM 606 N LEU A 66 -8.962 5.180 7.931 1.00 0.00 N ATOM 607 CA LEU A 66 -9.489 6.469 7.536 1.00 0.00 C ATOM 608 C LEU A 66 -10.839 6.761 8.184 1.00 0.00 C ATOM 609 O LEU A 66 -11.137 7.900 8.540 1.00 0.00 O ATOM 610 CB LEU A 66 -9.623 6.499 6.019 1.00 0.00 C ATOM 611 CG LEU A 66 -8.409 7.036 5.261 1.00 0.00 C ATOM 612 CD1 LEU A 66 -8.679 7.033 3.765 1.00 0.00 C ATOM 613 CD2 LEU A 66 -8.057 8.435 5.739 1.00 0.00 C ATOM 0 H LEU A 66 -8.789 4.547 7.150 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.798 7.241 7.875 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.829 5.487 5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.489 7.108 5.760 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.559 6.384 5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.806 7.418 3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.883 6.015 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.541 7.664 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.190 8.800 5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.903 9.101 5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.825 8.408 6.804 1.00 0.00 H new ATOM 625 N LYS A 67 -11.655 5.731 8.333 1.00 0.00 N ATOM 626 CA LYS A 67 -12.980 5.885 8.919 1.00 0.00 C ATOM 627 C LYS A 67 -12.935 6.010 10.444 1.00 0.00 C ATOM 628 O LYS A 67 -13.957 6.283 11.076 1.00 0.00 O ATOM 629 CB LYS A 67 -13.886 4.720 8.517 1.00 0.00 C ATOM 630 CG LYS A 67 -14.632 4.938 7.206 1.00 0.00 C ATOM 631 CD LYS A 67 -13.693 5.063 6.018 1.00 0.00 C ATOM 632 CE LYS A 67 -14.463 5.194 4.713 1.00 0.00 C ATOM 633 NZ LYS A 67 -15.392 4.052 4.498 1.00 0.00 N ATOM 0 H LYS A 67 -11.424 4.777 8.056 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.390 6.815 8.527 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.283 3.816 8.434 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.612 4.547 9.312 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.317 4.107 7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.239 5.840 7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.049 5.932 6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.043 4.189 5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.029 6.126 4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.761 5.252 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.677 4.020 3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.914 3.163 4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.235 4.173 5.095 1.00 0.00 H new ATOM 647 N THR A 68 -11.767 5.823 11.037 1.00 0.00 N ATOM 648 CA THR A 68 -11.635 5.951 12.482 1.00 0.00 C ATOM 649 C THR A 68 -10.824 7.186 12.870 1.00 0.00 C ATOM 650 O THR A 68 -10.823 7.595 14.034 1.00 0.00 O ATOM 651 CB THR A 68 -11.030 4.685 13.118 1.00 0.00 C ATOM 652 OG1 THR A 68 -9.922 4.212 12.345 1.00 0.00 O ATOM 653 CG2 THR A 68 -12.075 3.586 13.232 1.00 0.00 C ATOM 0 H THR A 68 -10.904 5.585 10.548 1.00 0.00 H new ATOM 0 HA THR A 68 -12.644 6.074 12.876 1.00 0.00 H new ATOM 0 HB THR A 68 -10.682 4.948 14.117 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.253 3.686 11.587 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.625 2.702 13.684 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.900 3.932 13.855 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.450 3.336 12.239 1.00 0.00 H new ATOM 661 N ILE A 69 -10.138 7.780 11.895 1.00 0.00 N ATOM 662 CA ILE A 69 -9.367 8.996 12.135 1.00 0.00 C ATOM 663 C ILE A 69 -10.307 10.192 12.305 1.00 0.00 C ATOM 664 O ILE A 69 -11.389 10.231 11.714 1.00 0.00 O ATOM 665 CB ILE A 69 -8.378 9.298 10.980 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.539 8.066 10.631 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.463 10.458 11.349 1.00 0.00 C ATOM 668 CD1 ILE A 69 -6.713 7.535 11.781 1.00 0.00 C ATOM 0 H ILE A 69 -10.101 7.439 10.934 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.791 8.833 13.046 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.967 9.572 10.105 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.202 7.276 10.279 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.874 8.315 9.804 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.776 10.655 10.526 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.063 11.347 11.542 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.894 10.203 12.243 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.149 6.663 11.451 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.022 8.307 12.120 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.372 7.252 12.602 1.00 0.00 H new ATOM 680 N SER A 70 -9.896 11.153 13.120 1.00 0.00 N ATOM 681 CA SER A 70 -10.674 12.366 13.329 1.00 0.00 C ATOM 682 C SER A 70 -10.360 13.391 12.239 1.00 0.00 C ATOM 683 O SER A 70 -9.365 13.260 11.522 1.00 0.00 O ATOM 684 CB SER A 70 -10.351 12.950 14.704 1.00 0.00 C ATOM 685 OG SER A 70 -10.274 11.925 15.682 1.00 0.00 O ATOM 0 H SER A 70 -9.025 11.116 13.649 1.00 0.00 H new ATOM 0 HA SER A 70 -11.735 12.121 13.281 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.405 13.490 14.662 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.118 13.672 14.987 1.00 0.00 H new ATOM 0 HG SER A 70 -9.388 11.938 16.100 1.00 0.00 H new ATOM 691 N VAL A 71 -11.205 14.403 12.113 1.00 0.00 N ATOM 692 CA VAL A 71 -10.985 15.462 11.140 1.00 0.00 C ATOM 693 C VAL A 71 -10.008 16.487 11.699 1.00 0.00 C ATOM 694 O VAL A 71 -10.239 17.047 12.769 1.00 0.00 O ATOM 695 CB VAL A 71 -12.298 16.181 10.771 1.00 0.00 C ATOM 696 CG1 VAL A 71 -12.069 17.173 9.639 1.00 0.00 C ATOM 697 CG2 VAL A 71 -13.378 15.176 10.401 1.00 0.00 C ATOM 0 H VAL A 71 -12.050 14.513 12.673 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.578 14.998 10.242 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.639 16.737 11.644 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.008 17.669 9.394 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.336 17.917 9.950 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.699 16.644 8.761 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.295 15.706 10.144 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.048 14.586 9.546 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.565 14.515 11.247 1.00 0.00 H new ATOM 707 N GLY A 72 -8.914 16.721 10.986 1.00 0.00 N ATOM 708 CA GLY A 72 -7.914 17.656 11.457 1.00 0.00 C ATOM 709 C GLY A 72 -6.986 17.016 12.463 1.00 0.00 C ATOM 710 O GLY A 72 -6.337 17.701 13.254 1.00 0.00 O ATOM 0 H GLY A 72 -8.702 16.280 10.091 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.335 18.027 10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.405 18.517 11.910 1.00 0.00 H new ATOM 714 N GLU A 73 -6.922 15.693 12.417 1.00 0.00 N ATOM 715 CA GLU A 73 -6.101 14.927 13.336 1.00 0.00 C ATOM 716 C GLU A 73 -4.767 14.603 12.685 1.00 0.00 C ATOM 717 O GLU A 73 -4.676 14.472 11.465 1.00 0.00 O ATOM 718 CB GLU A 73 -6.826 13.644 13.736 1.00 0.00 C ATOM 719 CG GLU A 73 -6.111 12.825 14.796 1.00 0.00 C ATOM 720 CD GLU A 73 -6.995 11.746 15.386 1.00 0.00 C ATOM 721 OE1 GLU A 73 -7.133 10.672 14.767 1.00 0.00 O ATOM 722 OE2 GLU A 73 -7.560 11.972 16.478 1.00 0.00 O ATOM 0 H GLU A 73 -7.436 15.125 11.744 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.918 15.517 14.234 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.820 13.902 14.102 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.963 13.027 12.848 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.224 12.366 14.359 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.769 13.486 15.592 1.00 0.00 H new ATOM 729 N VAL A 74 -3.736 14.482 13.498 1.00 0.00 N ATOM 730 CA VAL A 74 -2.405 14.218 12.986 1.00 0.00 C ATOM 731 C VAL A 74 -2.066 12.742 13.134 1.00 0.00 C ATOM 732 O VAL A 74 -2.059 12.204 14.241 1.00 0.00 O ATOM 733 CB VAL A 74 -1.338 15.066 13.708 1.00 0.00 C ATOM 734 CG1 VAL A 74 0.042 14.827 13.109 1.00 0.00 C ATOM 735 CG2 VAL A 74 -1.697 16.544 13.646 1.00 0.00 C ATOM 0 H VAL A 74 -3.793 14.562 14.513 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.401 14.492 11.931 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.313 14.760 14.754 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.777 15.436 13.635 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.305 13.774 13.209 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.033 15.100 12.054 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.933 17.126 14.161 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.755 16.861 12.605 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.661 16.705 14.128 1.00 0.00 H new ATOM 745 N ILE A 75 -1.791 12.096 12.015 1.00 0.00 N ATOM 746 CA ILE A 75 -1.462 10.681 12.009 1.00 0.00 C ATOM 747 C ILE A 75 -0.017 10.460 11.575 1.00 0.00 C ATOM 748 O ILE A 75 0.561 11.279 10.859 1.00 0.00 O ATOM 749 CB ILE A 75 -2.402 9.884 11.076 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.388 10.479 9.661 1.00 0.00 C ATOM 751 CG2 ILE A 75 -3.813 9.861 11.645 1.00 0.00 C ATOM 752 CD1 ILE A 75 -3.243 9.718 8.670 1.00 0.00 C ATOM 0 H ILE A 75 -1.789 12.532 11.093 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.592 10.319 13.029 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.043 8.857 11.011 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.734 11.512 9.708 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.361 10.503 9.297 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.465 9.297 10.978 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.802 9.388 12.627 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.185 10.881 11.738 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.182 10.198 7.693 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.884 8.692 8.593 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.279 9.716 9.010 1.00 0.00 H new ATOM 764 N ASN A 76 0.550 9.350 12.011 1.00 0.00 N ATOM 765 CA ASN A 76 1.922 8.999 11.674 1.00 0.00 C ATOM 766 C ASN A 76 1.956 8.112 10.439 1.00 0.00 C ATOM 767 O ASN A 76 1.408 7.014 10.435 1.00 0.00 O ATOM 768 CB ASN A 76 2.579 8.287 12.861 1.00 0.00 C ATOM 769 CG ASN A 76 3.903 7.621 12.520 1.00 0.00 C ATOM 770 OD1 ASN A 76 4.648 8.080 11.656 1.00 0.00 O ATOM 771 ND2 ASN A 76 4.195 6.524 13.201 1.00 0.00 N ATOM 0 H ASN A 76 0.078 8.669 12.605 1.00 0.00 H new ATOM 0 HA ASN A 76 2.477 9.911 11.455 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.741 9.009 13.661 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.892 7.533 13.246 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.066 6.026 13.017 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.549 6.177 13.910 1.00 0.00 H new ATOM 778 N ILE A 77 2.594 8.599 9.395 1.00 0.00 N ATOM 779 CA ILE A 77 2.731 7.839 8.165 1.00 0.00 C ATOM 780 C ILE A 77 4.195 7.501 7.927 1.00 0.00 C ATOM 781 O ILE A 77 4.996 8.353 7.537 1.00 0.00 O ATOM 782 CB ILE A 77 2.166 8.607 6.949 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.712 9.019 7.208 1.00 0.00 C ATOM 784 CG2 ILE A 77 2.261 7.752 5.690 1.00 0.00 C ATOM 785 CD1 ILE A 77 0.088 9.790 6.067 1.00 0.00 C ATOM 0 H ILE A 77 3.028 9.522 9.372 1.00 0.00 H new ATOM 0 HA ILE A 77 2.153 6.921 8.276 1.00 0.00 H new ATOM 0 HB ILE A 77 2.760 9.508 6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.118 8.125 7.399 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.671 9.627 8.112 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.859 8.307 4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.304 7.502 5.498 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.688 6.835 5.828 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.940 10.048 6.321 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.657 10.702 5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.096 9.177 5.166 1.00 0.00 H new ATOM 797 N THR A 78 4.543 6.260 8.186 1.00 0.00 N ATOM 798 CA THR A 78 5.902 5.804 7.986 1.00 0.00 C ATOM 799 C THR A 78 6.059 5.262 6.574 1.00 0.00 C ATOM 800 O THR A 78 5.478 4.232 6.227 1.00 0.00 O ATOM 801 CB THR A 78 6.277 4.720 9.009 1.00 0.00 C ATOM 802 OG1 THR A 78 5.905 5.157 10.325 1.00 0.00 O ATOM 803 CG2 THR A 78 7.768 4.427 8.972 1.00 0.00 C ATOM 0 H THR A 78 3.903 5.547 8.536 1.00 0.00 H new ATOM 0 HA THR A 78 6.573 6.651 8.128 1.00 0.00 H new ATOM 0 HB THR A 78 5.742 3.805 8.755 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.142 4.466 10.978 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.006 3.657 9.706 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.046 4.079 7.977 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.323 5.335 9.207 1.00 0.00 H new ATOM 811 N THR A 79 6.817 5.971 5.752 1.00 0.00 N ATOM 812 CA THR A 79 6.978 5.583 4.362 1.00 0.00 C ATOM 813 C THR A 79 8.366 5.015 4.093 1.00 0.00 C ATOM 814 O THR A 79 9.251 5.074 4.947 1.00 0.00 O ATOM 815 CB THR A 79 6.717 6.758 3.396 1.00 0.00 C ATOM 816 OG1 THR A 79 7.678 7.798 3.596 1.00 0.00 O ATOM 817 CG2 THR A 79 5.318 7.316 3.586 1.00 0.00 C ATOM 0 H THR A 79 7.327 6.812 6.022 1.00 0.00 H new ATOM 0 HA THR A 79 6.233 4.809 4.179 1.00 0.00 H new ATOM 0 HB THR A 79 6.809 6.377 2.379 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.717 8.029 4.548 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.159 8.143 2.894 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.585 6.533 3.391 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.205 7.673 4.610 1.00 0.00 H new ATOM 825 N ASP A 80 8.534 4.482 2.889 1.00 0.00 N ATOM 826 CA ASP A 80 9.780 3.856 2.445 1.00 0.00 C ATOM 827 C ASP A 80 11.002 4.758 2.644 1.00 0.00 C ATOM 828 O ASP A 80 12.101 4.276 2.931 1.00 0.00 O ATOM 829 CB ASP A 80 9.645 3.483 0.965 1.00 0.00 C ATOM 830 CG ASP A 80 10.928 2.949 0.362 1.00 0.00 C ATOM 831 OD1 ASP A 80 11.264 1.776 0.608 1.00 0.00 O ATOM 832 OD2 ASP A 80 11.599 3.702 -0.374 1.00 0.00 O ATOM 0 H ASP A 80 7.800 4.471 2.181 1.00 0.00 H new ATOM 0 HA ASP A 80 9.943 2.968 3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.861 2.733 0.856 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.326 4.361 0.404 1.00 0.00 H new ATOM 837 N GLN A 81 10.807 6.065 2.505 1.00 0.00 N ATOM 838 CA GLN A 81 11.921 7.008 2.546 1.00 0.00 C ATOM 839 C GLN A 81 11.697 8.126 3.559 1.00 0.00 C ATOM 840 O GLN A 81 12.247 9.221 3.416 1.00 0.00 O ATOM 841 CB GLN A 81 12.154 7.591 1.154 1.00 0.00 C ATOM 842 CG GLN A 81 13.005 6.702 0.263 1.00 0.00 C ATOM 843 CD GLN A 81 12.736 6.917 -1.209 1.00 0.00 C ATOM 844 OE1 GLN A 81 13.339 7.777 -1.853 1.00 0.00 O ATOM 845 NE2 GLN A 81 11.843 6.113 -1.754 1.00 0.00 N ATOM 0 H GLN A 81 9.893 6.495 2.364 1.00 0.00 H new ATOM 0 HA GLN A 81 12.806 6.460 2.868 1.00 0.00 H new ATOM 0 HB2 GLN A 81 11.191 7.760 0.673 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.636 8.564 1.251 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.059 6.894 0.467 1.00 0.00 H new ATOM 0 HG3 GLN A 81 12.817 5.658 0.513 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.368 5.415 -1.181 1.00 0.00 H new ATOM 0 HE22 GLN A 81 11.628 6.189 -2.748 1.00 0.00 H new ATOM 854 N GLY A 82 10.914 7.849 4.593 1.00 0.00 N ATOM 855 CA GLY A 82 10.748 8.826 5.653 1.00 0.00 C ATOM 856 C GLY A 82 9.524 8.596 6.520 1.00 0.00 C ATOM 857 O GLY A 82 8.488 8.127 6.048 1.00 0.00 O ATOM 0 H GLY A 82 10.397 6.979 4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.636 8.815 6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.685 9.820 5.210 1.00 0.00 H new ATOM 861 N THR A 83 9.654 8.926 7.791 1.00 0.00 N ATOM 862 CA THR A 83 8.542 8.863 8.724 1.00 0.00 C ATOM 863 C THR A 83 7.941 10.256 8.893 1.00 0.00 C ATOM 864 O THR A 83 8.570 11.143 9.471 1.00 0.00 O ATOM 865 CB THR A 83 9.010 8.332 10.092 1.00 0.00 C ATOM 866 OG1 THR A 83 9.838 7.176 9.901 1.00 0.00 O ATOM 867 CG2 THR A 83 7.823 7.971 10.972 1.00 0.00 C ATOM 0 H THR A 83 10.530 9.244 8.206 1.00 0.00 H new ATOM 0 HA THR A 83 7.789 8.182 8.327 1.00 0.00 H new ATOM 0 HB THR A 83 9.580 9.117 10.590 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.137 6.840 10.772 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.181 7.599 11.932 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.207 8.856 11.133 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.229 7.199 10.483 1.00 0.00 H new ATOM 875 N PHE A 84 6.741 10.456 8.372 1.00 0.00 N ATOM 876 CA PHE A 84 6.127 11.774 8.383 1.00 0.00 C ATOM 877 C PHE A 84 4.872 11.778 9.242 1.00 0.00 C ATOM 878 O PHE A 84 4.277 10.732 9.492 1.00 0.00 O ATOM 879 CB PHE A 84 5.769 12.203 6.957 1.00 0.00 C ATOM 880 CG PHE A 84 6.920 12.153 5.991 1.00 0.00 C ATOM 881 CD1 PHE A 84 7.955 13.069 6.079 1.00 0.00 C ATOM 882 CD2 PHE A 84 6.964 11.187 4.997 1.00 0.00 C ATOM 883 CE1 PHE A 84 9.015 13.024 5.196 1.00 0.00 C ATOM 884 CE2 PHE A 84 8.022 11.137 4.110 1.00 0.00 C ATOM 885 CZ PHE A 84 9.049 12.057 4.210 1.00 0.00 C ATOM 0 H PHE A 84 6.175 9.727 7.938 1.00 0.00 H new ATOM 0 HA PHE A 84 6.845 12.477 8.805 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.970 11.561 6.586 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.375 13.219 6.983 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.932 13.827 6.848 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.163 10.467 4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 84 9.816 13.744 5.276 1.00 0.00 H new ATOM 0 HE2 PHE A 84 8.047 10.380 3.340 1.00 0.00 H new ATOM 0 HZ PHE A 84 9.877 12.020 3.518 1.00 0.00 H new ATOM 895 N HIS A 85 4.473 12.955 9.692 1.00 0.00 N ATOM 896 CA HIS A 85 3.226 13.105 10.416 1.00 0.00 C ATOM 897 C HIS A 85 2.300 14.041 9.666 1.00 0.00 C ATOM 898 O HIS A 85 2.578 15.231 9.515 1.00 0.00 O ATOM 899 CB HIS A 85 3.450 13.595 11.850 1.00 0.00 C ATOM 900 CG HIS A 85 4.387 14.763 11.987 1.00 0.00 C ATOM 901 ND1 HIS A 85 3.994 16.073 11.815 1.00 0.00 N ATOM 902 CD2 HIS A 85 5.702 14.808 12.303 1.00 0.00 C ATOM 903 CE1 HIS A 85 5.025 16.869 12.018 1.00 0.00 C ATOM 904 NE2 HIS A 85 6.074 16.130 12.314 1.00 0.00 N ATOM 0 H HIS A 85 4.997 13.821 9.568 1.00 0.00 H new ATOM 0 HA HIS A 85 2.760 12.122 10.485 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.486 13.871 12.278 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.837 12.767 12.444 1.00 0.00 H new ATOM 0 HD2 HIS A 85 6.340 13.961 12.508 1.00 0.00 H new ATOM 0 HE1 HIS A 85 5.012 17.947 11.953 1.00 0.00 H new ATOM 0 HE2 HIS A 85 7.009 16.482 12.518 1.00 0.00 H new ATOM 913 N LEU A 86 1.200 13.490 9.201 1.00 0.00 N ATOM 914 CA LEU A 86 0.281 14.209 8.347 1.00 0.00 C ATOM 915 C LEU A 86 -0.989 14.571 9.089 1.00 0.00 C ATOM 916 O LEU A 86 -1.424 13.848 9.981 1.00 0.00 O ATOM 917 CB LEU A 86 -0.070 13.350 7.137 1.00 0.00 C ATOM 918 CG LEU A 86 0.786 13.572 5.888 1.00 0.00 C ATOM 919 CD1 LEU A 86 0.732 15.025 5.455 1.00 0.00 C ATOM 920 CD2 LEU A 86 2.221 13.142 6.136 1.00 0.00 C ATOM 0 H LEU A 86 0.918 12.531 9.404 1.00 0.00 H new ATOM 0 HA LEU A 86 0.767 15.130 8.025 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.008 12.302 7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.113 13.533 6.876 1.00 0.00 H new ATOM 0 HG LEU A 86 0.380 12.958 5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.347 15.163 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.299 15.299 5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.109 15.658 6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.812 13.309 5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.639 13.725 6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.244 12.083 6.394 1.00 0.00 H new ATOM 932 N LYS A 87 -1.580 15.691 8.714 1.00 0.00 N ATOM 933 CA LYS A 87 -2.867 16.081 9.254 1.00 0.00 C ATOM 934 C LYS A 87 -3.961 15.702 8.268 1.00 0.00 C ATOM 935 O LYS A 87 -3.855 15.997 7.076 1.00 0.00 O ATOM 936 CB LYS A 87 -2.925 17.588 9.530 1.00 0.00 C ATOM 937 CG LYS A 87 -4.280 18.052 10.055 1.00 0.00 C ATOM 938 CD LYS A 87 -4.383 19.571 10.121 1.00 0.00 C ATOM 939 CE LYS A 87 -3.442 20.163 11.157 1.00 0.00 C ATOM 940 NZ LYS A 87 -3.635 21.630 11.289 1.00 0.00 N ATOM 0 H LYS A 87 -1.188 16.346 8.037 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.014 15.559 10.199 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.154 17.848 10.255 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.694 18.128 8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.069 17.664 9.411 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.445 17.635 11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.155 19.992 9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.408 19.854 10.359 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.612 19.684 12.121 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.410 19.954 10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.978 22.004 12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.449 22.088 10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.613 21.826 11.582 1.00 0.00 H new ATOM 954 N THR A 88 -4.993 15.034 8.750 1.00 0.00 N ATOM 955 CA THR A 88 -6.121 14.695 7.906 1.00 0.00 C ATOM 956 C THR A 88 -6.928 15.939 7.568 1.00 0.00 C ATOM 957 O THR A 88 -7.292 16.717 8.449 1.00 0.00 O ATOM 958 CB THR A 88 -7.035 13.659 8.576 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.281 14.033 9.940 1.00 0.00 O ATOM 960 CG2 THR A 88 -6.408 12.275 8.520 1.00 0.00 C ATOM 0 H THR A 88 -5.072 14.717 9.716 1.00 0.00 H new ATOM 0 HA THR A 88 -5.721 14.261 6.989 1.00 0.00 H new ATOM 0 HB THR A 88 -7.982 13.631 8.036 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.097 13.593 10.258 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.071 11.555 9.000 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.253 11.988 7.480 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.450 12.288 9.040 1.00 0.00 H new ATOM 968 N GLY A 89 -7.200 16.125 6.289 1.00 0.00 N ATOM 969 CA GLY A 89 -7.951 17.269 5.860 1.00 0.00 C ATOM 970 C GLY A 89 -9.425 17.039 6.033 1.00 0.00 C ATOM 971 O GLY A 89 -9.850 15.962 6.459 1.00 0.00 O ATOM 0 H GLY A 89 -6.910 15.497 5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.646 18.145 6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.732 17.481 4.813 1.00 0.00 H new ATOM 1101 N ALA A 98 -12.395 13.839 7.432 1.00 0.00 N ATOM 1102 CA ALA A 98 -11.165 13.094 7.723 1.00 0.00 C ATOM 1103 C ALA A 98 -10.601 12.490 6.440 1.00 0.00 C ATOM 1104 O ALA A 98 -10.687 11.283 6.212 1.00 0.00 O ATOM 1105 CB ALA A 98 -11.410 12.017 8.775 1.00 0.00 C ATOM 0 HA ALA A 98 -10.430 13.788 8.131 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.481 11.481 8.970 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -11.762 12.482 9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.163 11.318 8.411 1.00 0.00 H new ATOM 1111 N TYR A 99 -10.031 13.341 5.604 1.00 0.00 N ATOM 1112 CA TYR A 99 -9.704 12.960 4.243 1.00 0.00 C ATOM 1113 C TYR A 99 -8.213 13.105 3.968 1.00 0.00 C ATOM 1114 O TYR A 99 -7.619 14.154 4.230 1.00 0.00 O ATOM 1115 CB TYR A 99 -10.509 13.839 3.281 1.00 0.00 C ATOM 1116 CG TYR A 99 -10.492 13.386 1.838 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -11.386 12.425 1.389 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -9.603 13.936 0.921 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -11.396 12.022 0.070 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -9.604 13.536 -0.400 1.00 0.00 C ATOM 1121 CZ TYR A 99 -10.504 12.579 -0.822 1.00 0.00 C ATOM 1122 OH TYR A 99 -10.521 12.189 -2.140 1.00 0.00 O ATOM 0 H TYR A 99 -9.785 14.301 5.845 1.00 0.00 H new ATOM 0 HA TYR A 99 -9.961 11.911 4.097 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -11.543 13.874 3.623 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -10.122 14.857 3.332 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -12.086 11.985 2.084 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -8.900 14.688 1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -12.100 11.273 -0.263 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -8.904 13.970 -1.099 1.00 0.00 H new ATOM 0 HH TYR A 99 -9.830 12.678 -2.635 1.00 0.00 H new ATOM 1132 N MET A 100 -7.612 12.046 3.451 1.00 0.00 N ATOM 1133 CA MET A 100 -6.223 12.090 3.018 1.00 0.00 C ATOM 1134 C MET A 100 -6.180 12.059 1.496 1.00 0.00 C ATOM 1135 O MET A 100 -6.663 11.112 0.877 1.00 0.00 O ATOM 1136 CB MET A 100 -5.428 10.917 3.601 1.00 0.00 C ATOM 1137 CG MET A 100 -3.949 10.955 3.248 1.00 0.00 C ATOM 1138 SD MET A 100 -3.159 12.504 3.734 1.00 0.00 S ATOM 1139 CE MET A 100 -3.367 12.454 5.513 1.00 0.00 C ATOM 0 H MET A 100 -8.065 11.142 3.320 1.00 0.00 H new ATOM 0 HA MET A 100 -5.764 13.010 3.380 1.00 0.00 H new ATOM 0 HB2 MET A 100 -5.535 10.918 4.686 1.00 0.00 H new ATOM 0 HB3 MET A 100 -5.856 9.982 3.240 1.00 0.00 H new ATOM 0 HG2 MET A 100 -3.441 10.123 3.737 1.00 0.00 H new ATOM 0 HG3 MET A 100 -3.832 10.813 2.174 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.091 13.419 5.939 1.00 0.00 H new ATOM 0 HE2 MET A 100 -4.408 12.236 5.752 1.00 0.00 H new ATOM 0 HE3 MET A 100 -2.728 11.677 5.932 1.00 0.00 H new ATOM 1149 N GLY A 101 -5.607 13.092 0.901 1.00 0.00 N ATOM 1150 CA GLY A 101 -5.688 13.259 -0.538 1.00 0.00 C ATOM 1151 C GLY A 101 -4.605 12.528 -1.309 1.00 0.00 C ATOM 1152 O GLY A 101 -3.856 13.149 -2.058 1.00 0.00 O ATOM 0 H GLY A 101 -5.085 13.821 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.662 12.908 -0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.632 14.322 -0.773 1.00 0.00 H new ATOM 1156 N ILE A 102 -4.517 11.218 -1.123 1.00 0.00 N ATOM 1157 CA ILE A 102 -3.619 10.384 -1.915 1.00 0.00 C ATOM 1158 C ILE A 102 -4.276 9.036 -2.176 1.00 0.00 C ATOM 1159 O ILE A 102 -5.079 8.560 -1.369 1.00 0.00 O ATOM 1160 CB ILE A 102 -2.225 10.172 -1.245 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -2.343 9.455 0.108 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -1.489 11.491 -1.070 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -2.149 7.954 0.032 1.00 0.00 C ATOM 0 H ILE A 102 -5.059 10.706 -0.427 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.439 10.911 -2.852 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.649 9.536 -1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.605 9.872 0.793 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.325 9.663 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.522 11.309 -0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.338 11.955 -2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -2.079 12.156 -0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.248 7.523 1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.903 7.523 -0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -1.156 7.735 -0.361 1.00 0.00 H new ATOM 1175 N ARG A 103 -3.961 8.440 -3.311 1.00 0.00 N ATOM 1176 CA ARG A 103 -4.472 7.118 -3.636 1.00 0.00 C ATOM 1177 C ARG A 103 -3.511 6.047 -3.146 1.00 0.00 C ATOM 1178 O ARG A 103 -2.294 6.224 -3.202 1.00 0.00 O ATOM 1179 CB ARG A 103 -4.680 6.959 -5.142 1.00 0.00 C ATOM 1180 CG ARG A 103 -5.681 7.931 -5.739 1.00 0.00 C ATOM 1181 CD ARG A 103 -6.057 7.520 -7.151 1.00 0.00 C ATOM 1182 NE ARG A 103 -6.827 6.277 -7.170 1.00 0.00 N ATOM 1183 CZ ARG A 103 -6.521 5.213 -7.910 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -5.423 5.203 -8.656 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -7.311 4.149 -7.888 1.00 0.00 N ATOM 0 H ARG A 103 -3.355 8.848 -4.023 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.434 7.004 -3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.722 7.087 -5.645 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -5.013 5.941 -5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.575 7.968 -5.116 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.258 8.935 -5.749 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.639 8.315 -7.618 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.152 7.396 -7.746 1.00 0.00 H new ATOM 0 HE ARG A 103 -7.654 6.221 -6.576 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.806 6.015 -8.666 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.197 4.383 -9.220 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.149 4.148 -7.306 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -7.081 3.331 -8.453 1.00 0.00 H new ATOM 1199 N THR A 104 -4.057 4.940 -2.677 1.00 0.00 N ATOM 1200 CA THR A 104 -3.245 3.837 -2.202 1.00 0.00 C ATOM 1201 C THR A 104 -3.446 2.602 -3.066 1.00 0.00 C ATOM 1202 O THR A 104 -4.546 2.339 -3.552 1.00 0.00 O ATOM 1203 CB THR A 104 -3.570 3.497 -0.738 1.00 0.00 C ATOM 1204 OG1 THR A 104 -4.977 3.622 -0.511 1.00 0.00 O ATOM 1205 CG2 THR A 104 -2.810 4.406 0.214 1.00 0.00 C ATOM 0 H THR A 104 -5.063 4.782 -2.615 1.00 0.00 H new ATOM 0 HA THR A 104 -2.203 4.151 -2.267 1.00 0.00 H new ATOM 0 HB THR A 104 -3.261 2.469 -0.549 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.135 3.920 0.409 1.00 0.00 H new ATOM 0 HG21 THR A 104 -3.058 4.144 1.243 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.738 4.283 0.057 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.088 5.443 0.026 1.00 0.00 H new ATOM 1213 N SER A 105 -2.375 1.864 -3.272 1.00 0.00 N ATOM 1214 CA SER A 105 -2.428 0.640 -4.036 1.00 0.00 C ATOM 1215 C SER A 105 -1.621 -0.434 -3.324 1.00 0.00 C ATOM 1216 O SER A 105 -0.900 -0.150 -2.377 1.00 0.00 O ATOM 1217 CB SER A 105 -1.885 0.881 -5.449 1.00 0.00 C ATOM 1218 OG SER A 105 -1.962 -0.283 -6.254 1.00 0.00 O ATOM 0 H SER A 105 -1.448 2.096 -2.915 1.00 0.00 H new ATOM 0 HA SER A 105 -3.462 0.305 -4.121 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.448 1.686 -5.921 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.848 1.211 -5.387 1.00 0.00 H new ATOM 0 HG SER A 105 -1.608 -0.087 -7.147 1.00 0.00 H new ATOM 1224 N ASN A 106 -1.747 -1.655 -3.783 1.00 0.00 N ATOM 1225 CA ASN A 106 -1.013 -2.776 -3.216 1.00 0.00 C ATOM 1226 C ASN A 106 0.112 -3.179 -4.155 1.00 0.00 C ATOM 1227 O ASN A 106 0.426 -4.358 -4.331 1.00 0.00 O ATOM 1228 CB ASN A 106 -1.947 -3.958 -2.924 1.00 0.00 C ATOM 1229 CG ASN A 106 -2.982 -4.201 -4.011 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -2.754 -3.929 -5.190 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -4.139 -4.714 -3.616 1.00 0.00 N ATOM 0 H ASN A 106 -2.359 -1.907 -4.559 1.00 0.00 H new ATOM 0 HA ASN A 106 -0.579 -2.468 -2.265 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -1.348 -4.860 -2.796 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.460 -3.780 -1.979 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.876 -4.896 -4.298 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -4.293 -4.927 -2.630 1.00 0.00 H new