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 62 TYR OH : rot -118:sc= 1.3 USER MOD Set 1.2: A 100 MET CE :methyl 139:sc= -0.204 (180deg=-0.856) USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= -0.0408 USER MOD Set 2.2: A 81 GLN : amide:sc= -1.52 K(o=-1.6,f=-0.16) USER MOD Single : A 28 GLN : amide:sc= -1.48! C(o=-1.5!,f=-3.6!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -145:sc= 0.00389 USER MOD Single : A 39 SER OG : rot 84:sc= -0.984 USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0573) USER MOD Single : A 50 SER OG : rot -115:sc= 1.25 USER MOD Single : A 52 ASN : amide:sc= 0.787 K(o=0.79,f=-11!) USER MOD Single : A 54 MET CE :methyl -160:sc= -0.131 (180deg=-0.705) USER MOD Single : A 56 THR OG1 : rot 30:sc= 0.327 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) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00933 USER MOD Single : A 61 THR OG1 : rot 22:sc= 1.21 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 15:sc= 1.19 USER MOD Single : A 70 SER OG : rot 97:sc= 1.23 USER MOD Single : A 76 ASN : amide:sc=-0.00238 K(o=-0.0024,f=-3.9!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -21:sc= 0.832 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc=-0.00847 X(o=-0.0085,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 168:sc= 1.09 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -167:sc= 0.459 USER MOD Single : A 105 SER OG : rot 180:sc= -0.236 USER MOD Single : A 106 ASN : amide:sc= -1.34! K(o=-1.3!,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 25 -0.094 -7.652 0.879 1.00 0.00 N ATOM 33 CA ASP A 25 0.076 -6.853 -0.321 1.00 0.00 C ATOM 34 C ASP A 25 0.729 -5.521 -0.006 1.00 0.00 C ATOM 35 O ASP A 25 1.767 -5.178 -0.574 1.00 0.00 O ATOM 36 CB ASP A 25 -1.272 -6.648 -1.018 1.00 0.00 C ATOM 37 CG ASP A 25 -2.449 -6.836 -0.079 1.00 0.00 C ATOM 38 OD1 ASP A 25 -2.541 -6.094 0.919 1.00 0.00 O ATOM 39 OD2 ASP A 25 -3.271 -7.743 -0.328 1.00 0.00 O ATOM 0 HA ASP A 25 0.738 -7.393 -0.998 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.308 -5.645 -1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.358 -7.350 -1.848 1.00 0.00 H new ATOM 44 N GLY A 26 0.131 -4.790 0.912 1.00 0.00 N ATOM 45 CA GLY A 26 0.640 -3.487 1.271 1.00 0.00 C ATOM 46 C GLY A 26 -0.036 -2.391 0.479 1.00 0.00 C ATOM 47 O GLY A 26 -0.603 -2.636 -0.589 1.00 0.00 O ATOM 0 H GLY A 26 -0.705 -5.077 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.486 -3.316 2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.715 -3.454 1.095 1.00 0.00 H new ATOM 51 N VAL A 27 -0.002 -1.183 1.009 1.00 0.00 N ATOM 52 CA VAL A 27 -0.632 -0.058 0.349 1.00 0.00 C ATOM 53 C VAL A 27 0.412 0.850 -0.290 1.00 0.00 C ATOM 54 O VAL A 27 1.287 1.409 0.383 1.00 0.00 O ATOM 55 CB VAL A 27 -1.531 0.748 1.311 1.00 0.00 C ATOM 56 CG1 VAL A 27 -2.838 0.010 1.551 1.00 0.00 C ATOM 57 CG2 VAL A 27 -0.820 1.002 2.632 1.00 0.00 C ATOM 0 H VAL A 27 0.454 -0.957 1.893 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.271 -0.464 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.748 1.711 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.463 0.589 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.360 -0.123 0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.630 -0.965 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.473 1.571 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.571 0.050 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.094 1.567 2.450 1.00 0.00 H new ATOM 67 N GLN A 28 0.318 0.982 -1.601 1.00 0.00 N ATOM 68 CA GLN A 28 1.276 1.763 -2.364 1.00 0.00 C ATOM 69 C GLN A 28 0.683 3.109 -2.763 1.00 0.00 C ATOM 70 O GLN A 28 -0.471 3.186 -3.180 1.00 0.00 O ATOM 71 CB GLN A 28 1.707 0.969 -3.601 1.00 0.00 C ATOM 72 CG GLN A 28 2.356 1.800 -4.695 1.00 0.00 C ATOM 73 CD GLN A 28 3.759 2.243 -4.348 1.00 0.00 C ATOM 74 OE1 GLN A 28 4.500 1.543 -3.661 1.00 0.00 O ATOM 75 NE2 GLN A 28 4.129 3.413 -4.823 1.00 0.00 N ATOM 0 H GLN A 28 -0.418 0.555 -2.163 1.00 0.00 H new ATOM 0 HA GLN A 28 2.151 1.960 -1.744 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.405 0.191 -3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.833 0.466 -4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.382 1.219 -5.617 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.741 2.679 -4.889 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.482 3.961 -5.389 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.063 3.772 -4.625 1.00 0.00 H new ATOM 84 N ILE A 29 1.469 4.165 -2.613 1.00 0.00 N ATOM 85 CA ILE A 29 1.055 5.493 -3.047 1.00 0.00 C ATOM 86 C ILE A 29 0.993 5.552 -4.565 1.00 0.00 C ATOM 87 O ILE A 29 2.016 5.452 -5.243 1.00 0.00 O ATOM 88 CB ILE A 29 2.016 6.600 -2.555 1.00 0.00 C ATOM 89 CG1 ILE A 29 2.053 6.654 -1.025 1.00 0.00 C ATOM 90 CG2 ILE A 29 1.613 7.955 -3.124 1.00 0.00 C ATOM 91 CD1 ILE A 29 0.732 7.041 -0.397 1.00 0.00 C ATOM 0 H ILE A 29 2.398 4.129 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 29 0.072 5.671 -2.612 1.00 0.00 H new ATOM 0 HB ILE A 29 3.017 6.358 -2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.355 5.679 -0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.816 7.368 -0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.302 8.720 -2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.647 7.917 -4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.601 8.199 -2.801 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.836 7.058 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.438 8.030 -0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.031 6.314 -0.677 1.00 0.00 H new ATOM 103 N ASP A 30 -0.208 5.705 -5.083 1.00 0.00 N ATOM 104 CA ASP A 30 -0.407 5.847 -6.516 1.00 0.00 C ATOM 105 C ASP A 30 -0.013 7.243 -6.948 1.00 0.00 C ATOM 106 O ASP A 30 0.934 7.433 -7.711 1.00 0.00 O ATOM 107 CB ASP A 30 -1.867 5.602 -6.888 1.00 0.00 C ATOM 108 CG ASP A 30 -2.115 5.741 -8.379 1.00 0.00 C ATOM 109 OD1 ASP A 30 -1.865 4.769 -9.122 1.00 0.00 O ATOM 110 OD2 ASP A 30 -2.554 6.826 -8.812 1.00 0.00 O ATOM 0 H ASP A 30 -1.066 5.735 -4.533 1.00 0.00 H new ATOM 0 HA ASP A 30 0.214 5.109 -7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.159 4.602 -6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.500 6.308 -6.350 1.00 0.00 H new ATOM 115 N SER A 31 -0.740 8.222 -6.434 1.00 0.00 N ATOM 116 CA SER A 31 -0.481 9.605 -6.767 1.00 0.00 C ATOM 117 C SER A 31 -0.872 10.523 -5.625 1.00 0.00 C ATOM 118 O SER A 31 -1.768 10.221 -4.840 1.00 0.00 O ATOM 119 CB SER A 31 -1.241 9.989 -8.038 1.00 0.00 C ATOM 120 OG SER A 31 -1.036 11.348 -8.381 1.00 0.00 O ATOM 0 H SER A 31 -1.514 8.080 -5.785 1.00 0.00 H new ATOM 0 HA SER A 31 0.589 9.720 -6.942 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.917 9.353 -8.862 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.306 9.807 -7.894 1.00 0.00 H new ATOM 0 HG SER A 31 -1.535 11.558 -9.198 1.00 0.00 H new ATOM 126 N VAL A 32 -0.169 11.630 -5.538 1.00 0.00 N ATOM 127 CA VAL A 32 -0.471 12.679 -4.585 1.00 0.00 C ATOM 128 C VAL A 32 -1.315 13.750 -5.271 1.00 0.00 C ATOM 129 O VAL A 32 -0.838 14.432 -6.178 1.00 0.00 O ATOM 130 CB VAL A 32 0.821 13.319 -4.031 1.00 0.00 C ATOM 131 CG1 VAL A 32 0.498 14.421 -3.034 1.00 0.00 C ATOM 132 CG2 VAL A 32 1.712 12.267 -3.394 1.00 0.00 C ATOM 0 H VAL A 32 0.636 11.831 -6.131 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.019 12.242 -3.751 1.00 0.00 H new ATOM 0 HB VAL A 32 1.360 13.765 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.425 14.855 -2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.092 15.194 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.070 14.004 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.616 12.740 -3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.178 11.786 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.982 11.519 -4.139 1.00 0.00 H new ATOM 142 N VAL A 33 -2.566 13.884 -4.859 1.00 0.00 N ATOM 143 CA VAL A 33 -3.471 14.816 -5.501 1.00 0.00 C ATOM 144 C VAL A 33 -3.292 16.230 -4.951 1.00 0.00 C ATOM 145 O VAL A 33 -3.306 16.447 -3.738 1.00 0.00 O ATOM 146 CB VAL A 33 -4.944 14.373 -5.359 1.00 0.00 C ATOM 147 CG1 VAL A 33 -5.199 13.102 -6.154 1.00 0.00 C ATOM 148 CG2 VAL A 33 -5.327 14.171 -3.900 1.00 0.00 C ATOM 0 H VAL A 33 -2.974 13.360 -4.085 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.220 14.821 -6.562 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.569 15.170 -5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.242 12.806 -6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.985 13.283 -7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.554 12.306 -5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.370 13.860 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.692 13.402 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.194 15.106 -3.356 1.00 0.00 H new ATOM 158 N PRO A 34 -3.081 17.205 -5.849 1.00 0.00 N ATOM 159 CA PRO A 34 -2.928 18.613 -5.476 1.00 0.00 C ATOM 160 C PRO A 34 -4.214 19.195 -4.894 1.00 0.00 C ATOM 161 O PRO A 34 -5.320 18.812 -5.293 1.00 0.00 O ATOM 162 CB PRO A 34 -2.573 19.313 -6.797 1.00 0.00 C ATOM 163 CG PRO A 34 -2.175 18.220 -7.728 1.00 0.00 C ATOM 164 CD PRO A 34 -2.957 17.013 -7.301 1.00 0.00 C ATOM 0 HA PRO A 34 -2.172 18.745 -4.702 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.424 19.871 -7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.761 20.026 -6.658 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.399 18.486 -8.761 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.103 18.031 -7.673 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.931 16.969 -7.788 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.437 16.087 -7.544 1.00 0.00 H new ATOM 172 N GLY A 35 -4.059 20.112 -3.950 1.00 0.00 N ATOM 173 CA GLY A 35 -5.203 20.714 -3.293 1.00 0.00 C ATOM 174 C GLY A 35 -5.259 20.344 -1.828 1.00 0.00 C ATOM 175 O GLY A 35 -5.816 21.073 -1.006 1.00 0.00 O ATOM 0 H GLY A 35 -3.154 20.453 -3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.153 21.798 -3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.119 20.390 -3.786 1.00 0.00 H new ATOM 179 N SER A 36 -4.673 19.206 -1.508 1.00 0.00 N ATOM 180 CA SER A 36 -4.620 18.726 -0.143 1.00 0.00 C ATOM 181 C SER A 36 -3.239 18.992 0.461 1.00 0.00 C ATOM 182 O SER A 36 -2.263 19.171 -0.271 1.00 0.00 O ATOM 183 CB SER A 36 -4.943 17.238 -0.114 1.00 0.00 C ATOM 184 OG SER A 36 -6.227 16.977 -0.657 1.00 0.00 O ATOM 0 H SER A 36 -4.222 18.591 -2.185 1.00 0.00 H new ATOM 0 HA SER A 36 -5.359 19.259 0.455 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.189 16.689 -0.679 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.900 16.875 0.913 1.00 0.00 H new ATOM 0 HG SER A 36 -6.642 16.234 -0.172 1.00 0.00 H new ATOM 190 N PRO A 37 -3.134 19.013 1.804 1.00 0.00 N ATOM 191 CA PRO A 37 -1.871 19.298 2.507 1.00 0.00 C ATOM 192 C PRO A 37 -0.764 18.297 2.174 1.00 0.00 C ATOM 193 O PRO A 37 0.421 18.586 2.349 1.00 0.00 O ATOM 194 CB PRO A 37 -2.243 19.186 3.989 1.00 0.00 C ATOM 195 CG PRO A 37 -3.722 19.348 4.032 1.00 0.00 C ATOM 196 CD PRO A 37 -4.238 18.771 2.746 1.00 0.00 C ATOM 0 HA PRO A 37 -1.474 20.271 2.219 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.940 18.223 4.400 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.745 19.955 4.579 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.147 18.829 4.891 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.997 20.398 4.127 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.460 17.708 2.842 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.157 19.261 2.424 1.00 0.00 H new ATOM 204 N ALA A 38 -1.158 17.129 1.676 1.00 0.00 N ATOM 205 CA ALA A 38 -0.219 16.053 1.376 1.00 0.00 C ATOM 206 C ALA A 38 0.727 16.422 0.239 1.00 0.00 C ATOM 207 O ALA A 38 1.848 15.912 0.169 1.00 0.00 O ATOM 208 CB ALA A 38 -0.974 14.778 1.036 1.00 0.00 C ATOM 0 H ALA A 38 -2.131 16.902 1.470 1.00 0.00 H new ATOM 0 HA ALA A 38 0.387 15.889 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.263 13.982 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.593 14.485 1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.608 14.951 0.166 1.00 0.00 H new ATOM 214 N SER A 39 0.282 17.325 -0.630 1.00 0.00 N ATOM 215 CA SER A 39 1.048 17.710 -1.808 1.00 0.00 C ATOM 216 C SER A 39 2.374 18.372 -1.430 1.00 0.00 C ATOM 217 O SER A 39 3.322 18.375 -2.215 1.00 0.00 O ATOM 218 CB SER A 39 0.221 18.669 -2.663 1.00 0.00 C ATOM 219 OG SER A 39 -1.083 18.161 -2.898 1.00 0.00 O ATOM 0 H SER A 39 -0.613 17.806 -0.538 1.00 0.00 H new ATOM 0 HA SER A 39 1.275 16.805 -2.372 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.152 19.636 -2.164 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.725 18.837 -3.615 1.00 0.00 H new ATOM 0 HG SER A 39 -1.662 18.381 -2.138 1.00 0.00 H new ATOM 225 N LYS A 40 2.437 18.919 -0.224 1.00 0.00 N ATOM 226 CA LYS A 40 3.618 19.643 0.219 1.00 0.00 C ATOM 227 C LYS A 40 4.352 18.857 1.306 1.00 0.00 C ATOM 228 O LYS A 40 5.256 19.376 1.960 1.00 0.00 O ATOM 229 CB LYS A 40 3.204 21.022 0.746 1.00 0.00 C ATOM 230 CG LYS A 40 4.347 22.021 0.847 1.00 0.00 C ATOM 231 CD LYS A 40 3.860 23.362 1.373 1.00 0.00 C ATOM 232 CE LYS A 40 4.962 24.406 1.356 1.00 0.00 C ATOM 233 NZ LYS A 40 6.098 24.044 2.246 1.00 0.00 N ATOM 0 H LYS A 40 1.685 18.875 0.464 1.00 0.00 H new ATOM 0 HA LYS A 40 4.296 19.770 -0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.435 21.432 0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.754 20.902 1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.120 21.628 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.803 22.156 -0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.022 23.708 0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.489 23.241 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.327 24.529 0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.553 25.368 1.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.777 24.831 2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.741 23.853 3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.571 23.194 1.877 1.00 0.00 H new ATOM 247 N VAL A 41 3.968 17.601 1.494 1.00 0.00 N ATOM 248 CA VAL A 41 4.557 16.785 2.545 1.00 0.00 C ATOM 249 C VAL A 41 5.219 15.540 1.972 1.00 0.00 C ATOM 250 O VAL A 41 6.407 15.297 2.197 1.00 0.00 O ATOM 251 CB VAL A 41 3.503 16.357 3.593 1.00 0.00 C ATOM 252 CG1 VAL A 41 4.125 15.468 4.665 1.00 0.00 C ATOM 253 CG2 VAL A 41 2.846 17.572 4.227 1.00 0.00 C ATOM 0 H VAL A 41 3.256 17.129 0.936 1.00 0.00 H new ATOM 0 HA VAL A 41 5.311 17.403 3.033 1.00 0.00 H new ATOM 0 HB VAL A 41 2.736 15.781 3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.362 15.182 5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.538 14.573 4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.920 16.013 5.173 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.109 17.246 4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.604 18.180 4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.353 18.163 3.455 1.00 0.00 H new ATOM 263 N LEU A 42 4.455 14.764 1.219 1.00 0.00 N ATOM 264 CA LEU A 42 4.934 13.485 0.719 1.00 0.00 C ATOM 265 C LEU A 42 5.211 13.541 -0.772 1.00 0.00 C ATOM 266 O LEU A 42 4.812 14.485 -1.459 1.00 0.00 O ATOM 267 CB LEU A 42 3.906 12.387 0.997 1.00 0.00 C ATOM 268 CG LEU A 42 3.607 12.118 2.472 1.00 0.00 C ATOM 269 CD1 LEU A 42 2.507 11.077 2.604 1.00 0.00 C ATOM 270 CD2 LEU A 42 4.862 11.657 3.197 1.00 0.00 C ATOM 0 H LEU A 42 3.502 14.997 0.941 1.00 0.00 H new ATOM 0 HA LEU A 42 5.865 13.259 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.974 12.653 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.258 11.461 0.542 1.00 0.00 H new ATOM 0 HG LEU A 42 3.267 13.046 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.304 10.894 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.602 11.440 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.826 10.149 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.629 11.471 4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.231 10.739 2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.627 12.430 3.127 1.00 0.00 H new ATOM 282 N THR A 43 5.892 12.519 -1.259 1.00 0.00 N ATOM 283 CA THR A 43 6.165 12.371 -2.671 1.00 0.00 C ATOM 284 C THR A 43 5.428 11.144 -3.211 1.00 0.00 C ATOM 285 O THR A 43 5.211 10.174 -2.485 1.00 0.00 O ATOM 286 CB THR A 43 7.681 12.240 -2.922 1.00 0.00 C ATOM 287 OG1 THR A 43 8.248 11.268 -2.032 1.00 0.00 O ATOM 288 CG2 THR A 43 8.380 13.575 -2.718 1.00 0.00 C ATOM 0 H THR A 43 6.271 11.768 -0.682 1.00 0.00 H new ATOM 0 HA THR A 43 5.811 13.260 -3.193 1.00 0.00 H new ATOM 0 HB THR A 43 7.825 11.919 -3.954 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.210 11.192 -2.201 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.448 13.458 -2.900 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.972 14.309 -3.412 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.222 13.916 -1.695 1.00 0.00 H new ATOM 296 N PRO A 44 5.003 11.173 -4.477 1.00 0.00 N ATOM 297 CA PRO A 44 4.255 10.072 -5.073 1.00 0.00 C ATOM 298 C PRO A 44 5.154 8.878 -5.392 1.00 0.00 C ATOM 299 O PRO A 44 6.294 9.042 -5.825 1.00 0.00 O ATOM 300 CB PRO A 44 3.667 10.672 -6.361 1.00 0.00 C ATOM 301 CG PRO A 44 4.048 12.120 -6.361 1.00 0.00 C ATOM 302 CD PRO A 44 5.216 12.264 -5.430 1.00 0.00 C ATOM 0 HA PRO A 44 3.492 9.686 -4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.062 10.166 -7.242 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.584 10.555 -6.385 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.312 12.450 -7.366 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.213 12.739 -6.032 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.167 12.164 -5.954 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.224 13.236 -4.937 1.00 0.00 H new ATOM 310 N GLY A 45 4.637 7.677 -5.164 1.00 0.00 N ATOM 311 CA GLY A 45 5.407 6.477 -5.435 1.00 0.00 C ATOM 312 C GLY A 45 5.925 5.807 -4.177 1.00 0.00 C ATOM 313 O GLY A 45 6.549 4.746 -4.246 1.00 0.00 O ATOM 0 H GLY A 45 3.700 7.512 -4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.786 5.771 -5.987 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.250 6.731 -6.078 1.00 0.00 H new ATOM 317 N LEU A 46 5.658 6.407 -3.026 1.00 0.00 N ATOM 318 CA LEU A 46 6.130 5.862 -1.757 1.00 0.00 C ATOM 319 C LEU A 46 5.261 4.696 -1.289 1.00 0.00 C ATOM 320 O LEU A 46 4.155 4.484 -1.786 1.00 0.00 O ATOM 321 CB LEU A 46 6.152 6.948 -0.679 1.00 0.00 C ATOM 322 CG LEU A 46 7.085 8.126 -0.955 1.00 0.00 C ATOM 323 CD1 LEU A 46 7.086 9.084 0.226 1.00 0.00 C ATOM 324 CD2 LEU A 46 8.492 7.626 -1.249 1.00 0.00 C ATOM 0 H LEU A 46 5.119 7.269 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 46 7.143 5.493 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.139 7.330 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.441 6.491 0.267 1.00 0.00 H new ATOM 0 HG LEU A 46 6.724 8.665 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.755 9.919 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.076 9.460 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.428 8.560 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.147 8.475 -1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.867 7.068 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.472 6.975 -2.123 1.00 0.00 H new ATOM 336 N VAL A 47 5.776 3.942 -0.331 1.00 0.00 N ATOM 337 CA VAL A 47 5.019 2.868 0.294 1.00 0.00 C ATOM 338 C VAL A 47 4.670 3.261 1.722 1.00 0.00 C ATOM 339 O VAL A 47 5.494 3.846 2.426 1.00 0.00 O ATOM 340 CB VAL A 47 5.808 1.535 0.307 1.00 0.00 C ATOM 341 CG1 VAL A 47 4.996 0.421 0.965 1.00 0.00 C ATOM 342 CG2 VAL A 47 6.209 1.137 -1.106 1.00 0.00 C ATOM 0 H VAL A 47 6.722 4.055 0.033 1.00 0.00 H new ATOM 0 HA VAL A 47 4.113 2.714 -0.292 1.00 0.00 H new ATOM 0 HB VAL A 47 6.713 1.687 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.575 -0.503 0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.764 0.698 1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.069 0.271 0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.762 0.198 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.315 1.012 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.838 1.915 -1.539 1.00 0.00 H new ATOM 352 N ILE A 48 3.449 2.961 2.137 1.00 0.00 N ATOM 353 CA ILE A 48 3.011 3.246 3.495 1.00 0.00 C ATOM 354 C ILE A 48 3.206 2.022 4.372 1.00 0.00 C ATOM 355 O ILE A 48 2.540 1.003 4.194 1.00 0.00 O ATOM 356 CB ILE A 48 1.530 3.678 3.534 1.00 0.00 C ATOM 357 CG1 ILE A 48 1.332 4.940 2.694 1.00 0.00 C ATOM 358 CG2 ILE A 48 1.080 3.916 4.970 1.00 0.00 C ATOM 359 CD1 ILE A 48 -0.116 5.339 2.521 1.00 0.00 C ATOM 0 H ILE A 48 2.741 2.519 1.551 1.00 0.00 H new ATOM 0 HA ILE A 48 3.616 4.070 3.872 1.00 0.00 H new ATOM 0 HB ILE A 48 0.920 2.878 3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.873 5.764 3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.776 4.784 1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.033 4.220 4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.195 2.997 5.544 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.689 4.702 5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.174 6.243 1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.659 4.534 2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.560 5.529 3.498 1.00 0.00 H new ATOM 371 N GLU A 49 4.133 2.125 5.305 1.00 0.00 N ATOM 372 CA GLU A 49 4.445 1.027 6.195 1.00 0.00 C ATOM 373 C GLU A 49 3.360 0.870 7.246 1.00 0.00 C ATOM 374 O GLU A 49 2.826 -0.221 7.455 1.00 0.00 O ATOM 375 CB GLU A 49 5.777 1.276 6.892 1.00 0.00 C ATOM 376 CG GLU A 49 6.288 0.078 7.675 1.00 0.00 C ATOM 377 CD GLU A 49 6.912 0.472 8.994 1.00 0.00 C ATOM 378 OE1 GLU A 49 6.153 0.793 9.937 1.00 0.00 O ATOM 379 OE2 GLU A 49 8.158 0.461 9.100 1.00 0.00 O ATOM 0 H GLU A 49 4.687 2.966 5.466 1.00 0.00 H new ATOM 0 HA GLU A 49 4.507 0.116 5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.521 1.556 6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.670 2.123 7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.463 -0.611 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.023 -0.458 7.075 1.00 0.00 H new ATOM 386 N SER A 50 3.039 1.967 7.908 1.00 0.00 N ATOM 387 CA SER A 50 2.097 1.921 9.009 1.00 0.00 C ATOM 388 C SER A 50 1.436 3.269 9.260 1.00 0.00 C ATOM 389 O SER A 50 1.967 4.319 8.893 1.00 0.00 O ATOM 390 CB SER A 50 2.815 1.452 10.276 1.00 0.00 C ATOM 391 OG SER A 50 3.976 2.229 10.523 1.00 0.00 O ATOM 0 H SER A 50 3.414 2.893 7.704 1.00 0.00 H new ATOM 0 HA SER A 50 1.309 1.218 8.740 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.139 1.522 11.128 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.091 0.403 10.174 1.00 0.00 H new ATOM 0 HG SER A 50 4.771 1.661 10.448 1.00 0.00 H new ATOM 397 N ILE A 51 0.268 3.211 9.885 1.00 0.00 N ATOM 398 CA ILE A 51 -0.452 4.398 10.333 1.00 0.00 C ATOM 399 C ILE A 51 -0.184 4.559 11.835 1.00 0.00 C ATOM 400 O ILE A 51 0.677 3.862 12.369 1.00 0.00 O ATOM 401 CB ILE A 51 -1.976 4.252 10.049 1.00 0.00 C ATOM 402 CG1 ILE A 51 -2.210 3.595 8.681 1.00 0.00 C ATOM 403 CG2 ILE A 51 -2.690 5.600 10.085 1.00 0.00 C ATOM 404 CD1 ILE A 51 -1.705 4.410 7.504 1.00 0.00 C ATOM 0 H ILE A 51 -0.210 2.335 10.097 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.110 5.282 9.794 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.388 3.621 10.836 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.721 2.621 8.670 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.278 3.417 8.554 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.751 5.455 9.882 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.567 6.051 11.070 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.263 6.258 9.329 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.909 3.875 6.577 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.212 5.375 7.486 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.631 4.566 7.604 1.00 0.00 H new ATOM 416 N ASN A 52 -0.883 5.479 12.496 1.00 0.00 N ATOM 417 CA ASN A 52 -0.736 5.713 13.940 1.00 0.00 C ATOM 418 C ASN A 52 -0.794 4.411 14.743 1.00 0.00 C ATOM 419 O ASN A 52 -1.878 3.935 15.093 1.00 0.00 O ATOM 420 CB ASN A 52 -1.837 6.649 14.466 1.00 0.00 C ATOM 421 CG ASN A 52 -1.873 8.007 13.789 1.00 0.00 C ATOM 422 OD1 ASN A 52 -1.585 8.139 12.601 1.00 0.00 O ATOM 423 ND2 ASN A 52 -2.235 9.032 14.544 1.00 0.00 N ATOM 0 H ASN A 52 -1.570 6.087 12.049 1.00 0.00 H new ATOM 0 HA ASN A 52 0.243 6.173 14.073 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.804 6.164 14.335 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.695 6.793 15.537 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.282 9.969 14.144 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.467 8.885 15.526 1.00 0.00 H new ATOM 430 N GLY A 53 0.373 3.827 15.003 1.00 0.00 N ATOM 431 CA GLY A 53 0.456 2.641 15.837 1.00 0.00 C ATOM 432 C GLY A 53 -0.075 1.382 15.168 1.00 0.00 C ATOM 433 O GLY A 53 0.113 0.279 15.682 1.00 0.00 O ATOM 0 H GLY A 53 1.270 4.158 14.647 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.496 2.480 16.121 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.102 2.815 16.757 1.00 0.00 H new ATOM 437 N MET A 54 -0.726 1.534 14.022 1.00 0.00 N ATOM 438 CA MET A 54 -1.353 0.406 13.341 1.00 0.00 C ATOM 439 C MET A 54 -0.865 0.302 11.901 1.00 0.00 C ATOM 440 O MET A 54 -1.144 1.175 11.082 1.00 0.00 O ATOM 441 CB MET A 54 -2.881 0.544 13.351 1.00 0.00 C ATOM 442 CG MET A 54 -3.502 0.498 14.738 1.00 0.00 C ATOM 443 SD MET A 54 -5.300 0.641 14.700 1.00 0.00 S ATOM 444 CE MET A 54 -5.497 2.270 13.980 1.00 0.00 C ATOM 0 H MET A 54 -0.834 2.428 13.543 1.00 0.00 H new ATOM 0 HA MET A 54 -1.073 -0.500 13.879 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.153 1.486 12.875 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.311 -0.255 12.746 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.226 -0.438 15.224 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.090 1.305 15.343 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.492 2.651 14.209 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.746 2.944 14.393 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.373 2.207 12.899 1.00 0.00 H new ATOM 454 N PRO A 55 -0.115 -0.758 11.578 1.00 0.00 N ATOM 455 CA PRO A 55 0.343 -1.020 10.217 1.00 0.00 C ATOM 456 C PRO A 55 -0.761 -1.630 9.359 1.00 0.00 C ATOM 457 O PRO A 55 -1.495 -2.509 9.814 1.00 0.00 O ATOM 458 CB PRO A 55 1.491 -2.022 10.395 1.00 0.00 C ATOM 459 CG PRO A 55 1.632 -2.249 11.871 1.00 0.00 C ATOM 460 CD PRO A 55 0.351 -1.789 12.507 1.00 0.00 C ATOM 0 HA PRO A 55 0.646 -0.105 9.708 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.274 -2.957 9.878 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.416 -1.631 9.972 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.813 -3.303 12.084 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.482 -1.693 12.268 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.368 -2.602 12.604 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.516 -1.389 13.507 1.00 0.00 H new ATOM 468 N THR A 56 -0.882 -1.164 8.121 1.00 0.00 N ATOM 469 CA THR A 56 -1.918 -1.659 7.226 1.00 0.00 C ATOM 470 C THR A 56 -1.329 -2.252 5.954 1.00 0.00 C ATOM 471 O THR A 56 -0.684 -1.554 5.170 1.00 0.00 O ATOM 472 CB THR A 56 -2.911 -0.549 6.840 1.00 0.00 C ATOM 473 OG1 THR A 56 -2.204 0.581 6.310 1.00 0.00 O ATOM 474 CG2 THR A 56 -3.735 -0.119 8.042 1.00 0.00 C ATOM 0 H THR A 56 -0.278 -0.448 7.717 1.00 0.00 H new ATOM 0 HA THR A 56 -2.445 -2.440 7.774 1.00 0.00 H new ATOM 0 HB THR A 56 -3.585 -0.944 6.080 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.380 0.277 5.875 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.430 0.666 7.745 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.295 -0.973 8.424 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.073 0.258 8.821 1.00 0.00 H new ATOM 482 N SER A 57 -1.548 -3.539 5.765 1.00 0.00 N ATOM 483 CA SER A 57 -1.157 -4.213 4.540 1.00 0.00 C ATOM 484 C SER A 57 -2.253 -4.085 3.494 1.00 0.00 C ATOM 485 O SER A 57 -2.019 -3.604 2.393 1.00 0.00 O ATOM 486 CB SER A 57 -0.878 -5.690 4.824 1.00 0.00 C ATOM 487 OG SER A 57 -0.631 -6.412 3.627 1.00 0.00 O ATOM 0 H SER A 57 -1.999 -4.144 6.451 1.00 0.00 H new ATOM 0 HA SER A 57 -0.250 -3.745 4.157 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.018 -5.778 5.487 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.729 -6.128 5.346 1.00 0.00 H new ATOM 0 HG SER A 57 -0.455 -7.352 3.842 1.00 0.00 H new ATOM 493 N ASN A 58 -3.464 -4.465 3.851 1.00 0.00 N ATOM 494 CA ASN A 58 -4.515 -4.585 2.857 1.00 0.00 C ATOM 495 C ASN A 58 -5.191 -3.230 2.659 1.00 0.00 C ATOM 496 O ASN A 58 -5.143 -2.375 3.549 1.00 0.00 O ATOM 497 CB ASN A 58 -5.553 -5.633 3.279 1.00 0.00 C ATOM 498 CG ASN A 58 -4.936 -6.996 3.537 1.00 0.00 C ATOM 499 OD1 ASN A 58 -4.542 -7.308 4.661 1.00 0.00 O ATOM 500 ND2 ASN A 58 -4.847 -7.816 2.503 1.00 0.00 N ATOM 0 H ASN A 58 -3.743 -4.693 4.805 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.068 -4.910 1.917 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.062 -5.292 4.181 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.310 -5.723 2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.440 -8.744 2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.185 -7.520 1.587 1.00 0.00 H new ATOM 507 N LEU A 59 -5.823 -3.027 1.510 1.00 0.00 N ATOM 508 CA LEU A 59 -6.533 -1.779 1.253 1.00 0.00 C ATOM 509 C LEU A 59 -7.712 -1.633 2.206 1.00 0.00 C ATOM 510 O LEU A 59 -7.997 -0.544 2.702 1.00 0.00 O ATOM 511 CB LEU A 59 -7.019 -1.722 -0.196 1.00 0.00 C ATOM 512 CG LEU A 59 -6.278 -0.729 -1.095 1.00 0.00 C ATOM 513 CD1 LEU A 59 -6.897 -0.699 -2.484 1.00 0.00 C ATOM 514 CD2 LEU A 59 -6.287 0.663 -0.479 1.00 0.00 C ATOM 0 H LEU A 59 -5.859 -3.703 0.747 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.841 -0.953 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.930 -2.717 -0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.079 -1.467 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.243 -1.058 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.356 0.013 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.837 -1.692 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.942 -0.397 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.755 1.354 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.316 1.000 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.796 0.634 0.494 1.00 0.00 H new ATOM 526 N THR A 60 -8.380 -2.744 2.471 1.00 0.00 N ATOM 527 CA THR A 60 -9.519 -2.761 3.371 1.00 0.00 C ATOM 528 C THR A 60 -9.099 -2.398 4.800 1.00 0.00 C ATOM 529 O THR A 60 -9.816 -1.688 5.504 1.00 0.00 O ATOM 530 CB THR A 60 -10.186 -4.148 3.361 1.00 0.00 C ATOM 531 OG1 THR A 60 -10.221 -4.646 2.016 1.00 0.00 O ATOM 532 CG2 THR A 60 -11.600 -4.080 3.921 1.00 0.00 C ATOM 0 H THR A 60 -8.149 -3.653 2.071 1.00 0.00 H new ATOM 0 HA THR A 60 -10.233 -2.015 3.022 1.00 0.00 H new ATOM 0 HB THR A 60 -9.603 -4.819 3.992 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.644 -5.530 2.005 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.047 -5.074 3.902 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.567 -3.716 4.948 1.00 0.00 H new ATOM 0 HG23 THR A 60 -12.199 -3.401 3.315 1.00 0.00 H new ATOM 540 N THR A 61 -7.929 -2.870 5.223 1.00 0.00 N ATOM 541 CA THR A 61 -7.421 -2.539 6.548 1.00 0.00 C ATOM 542 C THR A 61 -6.980 -1.077 6.604 1.00 0.00 C ATOM 543 O THR A 61 -7.096 -0.420 7.638 1.00 0.00 O ATOM 544 CB THR A 61 -6.259 -3.468 6.957 1.00 0.00 C ATOM 545 OG1 THR A 61 -5.340 -3.620 5.873 1.00 0.00 O ATOM 546 CG2 THR A 61 -6.778 -4.837 7.375 1.00 0.00 C ATOM 0 H THR A 61 -7.321 -3.477 4.673 1.00 0.00 H new ATOM 0 HA THR A 61 -8.233 -2.688 7.260 1.00 0.00 H new ATOM 0 HB THR A 61 -5.748 -3.011 7.805 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.430 -2.862 5.259 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.939 -5.473 7.659 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.453 -4.727 8.224 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.314 -5.293 6.542 1.00 0.00 H new ATOM 554 N TYR A 62 -6.495 -0.573 5.473 1.00 0.00 N ATOM 555 CA TYR A 62 -6.127 0.833 5.353 1.00 0.00 C ATOM 556 C TYR A 62 -7.371 1.705 5.482 1.00 0.00 C ATOM 557 O TYR A 62 -7.370 2.711 6.189 1.00 0.00 O ATOM 558 CB TYR A 62 -5.439 1.074 4.006 1.00 0.00 C ATOM 559 CG TYR A 62 -4.946 2.490 3.797 1.00 0.00 C ATOM 560 CD1 TYR A 62 -3.696 2.883 4.253 1.00 0.00 C ATOM 561 CD2 TYR A 62 -5.727 3.430 3.128 1.00 0.00 C ATOM 562 CE1 TYR A 62 -3.236 4.171 4.057 1.00 0.00 C ATOM 563 CE2 TYR A 62 -5.272 4.718 2.928 1.00 0.00 C ATOM 564 CZ TYR A 62 -4.027 5.083 3.392 1.00 0.00 C ATOM 565 OH TYR A 62 -3.570 6.364 3.189 1.00 0.00 O ATOM 0 H TYR A 62 -6.348 -1.120 4.625 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.433 1.096 6.151 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.594 0.392 3.917 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.136 0.824 3.206 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.072 2.170 4.770 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.702 3.147 2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.262 4.461 4.423 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.890 5.437 2.410 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.159 6.998 3.649 1.00 0.00 H new ATOM 575 N SER A 63 -8.436 1.294 4.805 1.00 0.00 N ATOM 576 CA SER A 63 -9.708 1.998 4.862 1.00 0.00 C ATOM 577 C SER A 63 -10.262 1.963 6.285 1.00 0.00 C ATOM 578 O SER A 63 -10.824 2.944 6.770 1.00 0.00 O ATOM 579 CB SER A 63 -10.700 1.350 3.886 1.00 0.00 C ATOM 580 OG SER A 63 -11.815 2.192 3.639 1.00 0.00 O ATOM 0 H SER A 63 -8.442 0.469 4.205 1.00 0.00 H new ATOM 0 HA SER A 63 -9.557 3.039 4.574 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.195 1.129 2.946 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.044 0.400 4.294 1.00 0.00 H new ATOM 0 HG SER A 63 -12.426 1.750 3.013 1.00 0.00 H new ATOM 586 N ALA A 64 -10.068 0.833 6.963 1.00 0.00 N ATOM 587 CA ALA A 64 -10.544 0.664 8.333 1.00 0.00 C ATOM 588 C ALA A 64 -9.845 1.634 9.278 1.00 0.00 C ATOM 589 O ALA A 64 -10.432 2.098 10.256 1.00 0.00 O ATOM 590 CB ALA A 64 -10.338 -0.770 8.797 1.00 0.00 C ATOM 0 H ALA A 64 -9.583 0.020 6.584 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.611 0.885 8.348 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.699 -0.877 9.820 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.891 -1.446 8.145 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.277 -1.016 8.759 1.00 0.00 H new ATOM 596 N ALA A 65 -8.588 1.934 8.984 1.00 0.00 N ATOM 597 CA ALA A 65 -7.832 2.899 9.768 1.00 0.00 C ATOM 598 C ALA A 65 -8.255 4.315 9.408 1.00 0.00 C ATOM 599 O ALA A 65 -8.400 5.177 10.273 1.00 0.00 O ATOM 600 CB ALA A 65 -6.339 2.714 9.545 1.00 0.00 C ATOM 0 H ALA A 65 -8.070 1.522 8.208 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.043 2.732 10.824 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.789 3.444 10.139 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.048 1.708 9.846 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.108 2.857 8.489 1.00 0.00 H new ATOM 606 N LEU A 66 -8.475 4.537 8.121 1.00 0.00 N ATOM 607 CA LEU A 66 -8.896 5.829 7.611 1.00 0.00 C ATOM 608 C LEU A 66 -10.233 6.256 8.211 1.00 0.00 C ATOM 609 O LEU A 66 -10.441 7.426 8.526 1.00 0.00 O ATOM 610 CB LEU A 66 -9.000 5.751 6.088 1.00 0.00 C ATOM 611 CG LEU A 66 -8.037 6.653 5.321 1.00 0.00 C ATOM 612 CD1 LEU A 66 -8.438 8.108 5.473 1.00 0.00 C ATOM 613 CD2 LEU A 66 -6.607 6.438 5.792 1.00 0.00 C ATOM 0 H LEU A 66 -8.366 3.823 7.401 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.156 6.577 7.896 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.828 4.719 5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.019 6.004 5.797 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.089 6.390 4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.741 8.737 4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.445 8.251 5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.417 8.383 6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.937 7.091 5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.535 6.670 6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.322 5.399 5.627 1.00 0.00 H new ATOM 625 N LYS A 67 -11.126 5.291 8.387 1.00 0.00 N ATOM 626 CA LYS A 67 -12.463 5.563 8.903 1.00 0.00 C ATOM 627 C LYS A 67 -12.457 5.858 10.403 1.00 0.00 C ATOM 628 O LYS A 67 -13.486 6.211 10.974 1.00 0.00 O ATOM 629 CB LYS A 67 -13.398 4.396 8.583 1.00 0.00 C ATOM 630 CG LYS A 67 -13.727 4.298 7.105 1.00 0.00 C ATOM 631 CD LYS A 67 -14.534 3.053 6.782 1.00 0.00 C ATOM 632 CE LYS A 67 -14.948 3.044 5.321 1.00 0.00 C ATOM 633 NZ LYS A 67 -15.663 1.799 4.947 1.00 0.00 N ATOM 0 H LYS A 67 -10.948 4.308 8.179 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.830 6.461 8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.936 3.465 8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.322 4.510 9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.287 5.182 6.799 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.802 4.290 6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.944 2.164 7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.420 3.013 7.416 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.589 3.903 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.063 3.155 4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.926 1.838 3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.043 0.980 5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.522 1.705 5.526 1.00 0.00 H new ATOM 647 N THR A 68 -11.310 5.703 11.045 1.00 0.00 N ATOM 648 CA THR A 68 -11.183 6.083 12.447 1.00 0.00 C ATOM 649 C THR A 68 -10.498 7.443 12.582 1.00 0.00 C ATOM 650 O THR A 68 -10.505 8.051 13.656 1.00 0.00 O ATOM 651 CB THR A 68 -10.446 5.016 13.290 1.00 0.00 C ATOM 652 OG1 THR A 68 -9.220 4.605 12.668 1.00 0.00 O ATOM 653 CG2 THR A 68 -11.336 3.803 13.504 1.00 0.00 C ATOM 0 H THR A 68 -10.462 5.322 10.626 1.00 0.00 H new ATOM 0 HA THR A 68 -12.196 6.157 12.844 1.00 0.00 H new ATOM 0 HB THR A 68 -10.207 5.469 14.252 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.978 5.246 11.967 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.803 3.061 14.099 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.243 4.105 14.028 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.601 3.372 12.539 1.00 0.00 H new ATOM 661 N ILE A 69 -9.913 7.916 11.485 1.00 0.00 N ATOM 662 CA ILE A 69 -9.199 9.187 11.479 1.00 0.00 C ATOM 663 C ILE A 69 -10.174 10.359 11.362 1.00 0.00 C ATOM 664 O ILE A 69 -11.104 10.333 10.551 1.00 0.00 O ATOM 665 CB ILE A 69 -8.183 9.254 10.317 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.217 8.066 10.370 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.414 10.563 10.353 1.00 0.00 C ATOM 668 CD1 ILE A 69 -6.418 7.983 11.653 1.00 0.00 C ATOM 0 H ILE A 69 -9.920 7.435 10.586 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.661 9.258 12.424 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.737 9.204 9.380 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.784 7.143 10.246 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.528 8.132 9.528 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.704 10.591 9.527 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.110 11.397 10.261 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.875 10.643 11.297 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.758 7.117 11.615 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.823 8.888 11.770 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.098 7.884 12.499 1.00 0.00 H new ATOM 680 N SER A 70 -9.947 11.386 12.170 1.00 0.00 N ATOM 681 CA SER A 70 -10.829 12.544 12.215 1.00 0.00 C ATOM 682 C SER A 70 -10.498 13.540 11.101 1.00 0.00 C ATOM 683 O SER A 70 -9.439 13.461 10.467 1.00 0.00 O ATOM 684 CB SER A 70 -10.686 13.232 13.572 1.00 0.00 C ATOM 685 OG SER A 70 -10.506 12.279 14.609 1.00 0.00 O ATOM 0 H SER A 70 -9.153 11.440 12.808 1.00 0.00 H new ATOM 0 HA SER A 70 -11.854 12.202 12.070 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.837 13.915 13.550 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.573 13.832 13.775 1.00 0.00 H new ATOM 0 HG SER A 70 -9.551 12.188 14.808 1.00 0.00 H new ATOM 691 N VAL A 71 -11.413 14.474 10.867 1.00 0.00 N ATOM 692 CA VAL A 71 -11.189 15.560 9.923 1.00 0.00 C ATOM 693 C VAL A 71 -10.276 16.603 10.552 1.00 0.00 C ATOM 694 O VAL A 71 -10.565 17.118 11.633 1.00 0.00 O ATOM 695 CB VAL A 71 -12.516 16.230 9.512 1.00 0.00 C ATOM 696 CG1 VAL A 71 -12.285 17.259 8.421 1.00 0.00 C ATOM 697 CG2 VAL A 71 -13.526 15.192 9.059 1.00 0.00 C ATOM 0 H VAL A 71 -12.325 14.499 11.323 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.724 15.140 9.031 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.920 16.742 10.385 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.235 17.718 8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.602 18.027 8.784 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.852 16.772 7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.454 15.688 8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.128 14.647 8.203 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.722 14.495 9.874 1.00 0.00 H new ATOM 707 N GLY A 72 -9.172 16.902 9.887 1.00 0.00 N ATOM 708 CA GLY A 72 -8.211 17.827 10.446 1.00 0.00 C ATOM 709 C GLY A 72 -7.337 17.150 11.476 1.00 0.00 C ATOM 710 O GLY A 72 -6.817 17.791 12.388 1.00 0.00 O ATOM 0 H GLY A 72 -8.925 16.522 8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.589 18.235 9.649 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.734 18.666 10.904 1.00 0.00 H new ATOM 714 N GLU A 73 -7.199 15.843 11.329 1.00 0.00 N ATOM 715 CA GLU A 73 -6.367 15.046 12.212 1.00 0.00 C ATOM 716 C GLU A 73 -4.937 15.079 11.710 1.00 0.00 C ATOM 717 O GLU A 73 -4.695 15.161 10.506 1.00 0.00 O ATOM 718 CB GLU A 73 -6.861 13.605 12.239 1.00 0.00 C ATOM 719 CG GLU A 73 -6.208 12.727 13.294 1.00 0.00 C ATOM 720 CD GLU A 73 -6.696 13.023 14.691 1.00 0.00 C ATOM 721 OE1 GLU A 73 -7.829 12.616 15.025 1.00 0.00 O ATOM 722 OE2 GLU A 73 -5.951 13.661 15.462 1.00 0.00 O ATOM 0 H GLU A 73 -7.660 15.306 10.595 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.417 15.456 13.221 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.938 13.608 12.405 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.691 13.159 11.259 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.404 11.681 13.060 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.127 12.865 13.256 1.00 0.00 H new ATOM 729 N VAL A 74 -3.997 15.012 12.625 1.00 0.00 N ATOM 730 CA VAL A 74 -2.598 14.950 12.252 1.00 0.00 C ATOM 731 C VAL A 74 -2.102 13.528 12.446 1.00 0.00 C ATOM 732 O VAL A 74 -1.796 13.110 13.563 1.00 0.00 O ATOM 733 CB VAL A 74 -1.724 15.933 13.069 1.00 0.00 C ATOM 734 CG1 VAL A 74 -0.273 15.870 12.615 1.00 0.00 C ATOM 735 CG2 VAL A 74 -2.259 17.352 12.946 1.00 0.00 C ATOM 0 H VAL A 74 -4.172 14.999 13.630 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.513 15.246 11.207 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.767 15.637 14.117 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.323 16.569 13.202 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.109 14.859 12.757 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.210 16.137 11.560 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.632 18.029 13.527 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.248 17.656 11.899 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.281 17.390 13.324 1.00 0.00 H new ATOM 745 N ILE A 75 -2.058 12.778 11.363 1.00 0.00 N ATOM 746 CA ILE A 75 -1.728 11.368 11.430 1.00 0.00 C ATOM 747 C ILE A 75 -0.236 11.137 11.266 1.00 0.00 C ATOM 748 O ILE A 75 0.507 12.021 10.834 1.00 0.00 O ATOM 749 CB ILE A 75 -2.491 10.550 10.369 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.219 11.091 8.960 1.00 0.00 C ATOM 751 CG2 ILE A 75 -3.979 10.568 10.675 1.00 0.00 C ATOM 752 CD1 ILE A 75 -2.937 10.326 7.869 1.00 0.00 C ATOM 0 H ILE A 75 -2.247 13.123 10.422 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.033 11.027 12.419 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.137 9.520 10.403 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.520 12.138 8.917 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.146 11.060 8.769 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.512 9.988 9.922 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.153 10.132 11.659 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.340 11.596 10.664 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.698 10.764 6.900 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.618 9.284 7.885 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.013 10.378 8.036 1.00 0.00 H new ATOM 764 N ASN A 76 0.188 9.943 11.623 1.00 0.00 N ATOM 765 CA ASN A 76 1.584 9.568 11.551 1.00 0.00 C ATOM 766 C ASN A 76 1.759 8.441 10.543 1.00 0.00 C ATOM 767 O ASN A 76 1.234 7.342 10.726 1.00 0.00 O ATOM 768 CB ASN A 76 2.074 9.129 12.933 1.00 0.00 C ATOM 769 CG ASN A 76 3.508 8.648 12.917 1.00 0.00 C ATOM 770 OD1 ASN A 76 4.327 9.127 12.139 1.00 0.00 O ATOM 771 ND2 ASN A 76 3.814 7.700 13.784 1.00 0.00 N ATOM 0 H ASN A 76 -0.425 9.206 11.971 1.00 0.00 H new ATOM 0 HA ASN A 76 2.175 10.425 11.227 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.982 9.963 13.629 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.431 8.331 13.306 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.766 7.335 13.826 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.099 7.332 14.411 1.00 0.00 H new ATOM 778 N ILE A 77 2.487 8.720 9.477 1.00 0.00 N ATOM 779 CA ILE A 77 2.652 7.768 8.397 1.00 0.00 C ATOM 780 C ILE A 77 4.124 7.436 8.206 1.00 0.00 C ATOM 781 O ILE A 77 4.905 8.265 7.734 1.00 0.00 O ATOM 782 CB ILE A 77 2.093 8.318 7.066 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.700 8.920 7.266 1.00 0.00 C ATOM 784 CG2 ILE A 77 2.044 7.214 6.019 1.00 0.00 C ATOM 785 CD1 ILE A 77 0.167 9.628 6.036 1.00 0.00 C ATOM 0 H ILE A 77 2.976 9.604 9.337 1.00 0.00 H new ATOM 0 HA ILE A 77 2.096 6.871 8.670 1.00 0.00 H new ATOM 0 HB ILE A 77 2.759 9.107 6.717 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.007 8.127 7.549 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.733 9.625 8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.648 7.615 5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.049 6.827 5.851 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.399 6.408 6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.824 10.030 6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.839 10.442 5.765 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.102 8.921 5.209 1.00 0.00 H new ATOM 797 N THR A 78 4.505 6.237 8.597 1.00 0.00 N ATOM 798 CA THR A 78 5.847 5.757 8.336 1.00 0.00 C ATOM 799 C THR A 78 5.919 5.249 6.899 1.00 0.00 C ATOM 800 O THR A 78 5.194 4.329 6.523 1.00 0.00 O ATOM 801 CB THR A 78 6.245 4.641 9.324 1.00 0.00 C ATOM 802 OG1 THR A 78 6.036 5.094 10.672 1.00 0.00 O ATOM 803 CG2 THR A 78 7.705 4.239 9.139 1.00 0.00 C ATOM 0 H THR A 78 3.906 5.578 9.095 1.00 0.00 H new ATOM 0 HA THR A 78 6.550 6.578 8.473 1.00 0.00 H new ATOM 0 HB THR A 78 5.622 3.769 9.126 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.288 4.384 11.299 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.958 3.451 9.848 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.856 3.875 8.123 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.345 5.104 9.314 1.00 0.00 H new ATOM 811 N THR A 79 6.765 5.868 6.091 1.00 0.00 N ATOM 812 CA THR A 79 6.815 5.563 4.669 1.00 0.00 C ATOM 813 C THR A 79 8.185 5.052 4.246 1.00 0.00 C ATOM 814 O THR A 79 9.072 4.839 5.073 1.00 0.00 O ATOM 815 CB THR A 79 6.492 6.803 3.815 1.00 0.00 C ATOM 816 OG1 THR A 79 7.426 7.851 4.101 1.00 0.00 O ATOM 817 CG2 THR A 79 5.074 7.295 4.062 1.00 0.00 C ATOM 0 H THR A 79 7.426 6.584 6.394 1.00 0.00 H new ATOM 0 HA THR A 79 6.067 4.788 4.504 1.00 0.00 H new ATOM 0 HB THR A 79 6.573 6.517 2.766 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.838 7.692 4.976 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.880 8.171 3.443 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.366 6.507 3.807 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.959 7.560 5.113 1.00 0.00 H new ATOM 825 N ASP A 80 8.336 4.887 2.938 1.00 0.00 N ATOM 826 CA ASP A 80 9.595 4.479 2.323 1.00 0.00 C ATOM 827 C ASP A 80 10.730 5.437 2.685 1.00 0.00 C ATOM 828 O ASP A 80 11.867 5.014 2.895 1.00 0.00 O ATOM 829 CB ASP A 80 9.416 4.429 0.801 1.00 0.00 C ATOM 830 CG ASP A 80 10.687 4.074 0.051 1.00 0.00 C ATOM 831 OD1 ASP A 80 10.983 2.873 -0.089 1.00 0.00 O ATOM 832 OD2 ASP A 80 11.379 4.993 -0.428 1.00 0.00 O ATOM 0 H ASP A 80 7.582 5.034 2.267 1.00 0.00 H new ATOM 0 HA ASP A 80 9.863 3.492 2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.645 3.698 0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.058 5.398 0.454 1.00 0.00 H new ATOM 837 N GLN A 81 10.406 6.724 2.785 1.00 0.00 N ATOM 838 CA GLN A 81 11.411 7.747 3.067 1.00 0.00 C ATOM 839 C GLN A 81 11.504 8.036 4.559 1.00 0.00 C ATOM 840 O GLN A 81 12.189 8.972 4.982 1.00 0.00 O ATOM 841 CB GLN A 81 11.092 9.036 2.310 1.00 0.00 C ATOM 842 CG GLN A 81 11.082 8.872 0.801 1.00 0.00 C ATOM 843 CD GLN A 81 10.740 10.158 0.071 1.00 0.00 C ATOM 844 OE1 GLN A 81 11.183 10.381 -1.054 1.00 0.00 O ATOM 845 NE2 GLN A 81 9.944 11.008 0.700 1.00 0.00 N ATOM 0 H GLN A 81 9.458 7.083 2.675 1.00 0.00 H new ATOM 0 HA GLN A 81 12.374 7.363 2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.118 9.405 2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.826 9.796 2.579 1.00 0.00 H new ATOM 0 HG2 GLN A 81 12.060 8.522 0.472 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.360 8.102 0.529 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.597 10.787 1.633 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.678 11.884 0.251 1.00 0.00 H new ATOM 854 N GLY A 82 10.809 7.238 5.346 1.00 0.00 N ATOM 855 CA GLY A 82 10.861 7.390 6.783 1.00 0.00 C ATOM 856 C GLY A 82 9.545 7.856 7.368 1.00 0.00 C ATOM 857 O GLY A 82 8.524 7.878 6.680 1.00 0.00 O ATOM 0 H GLY A 82 10.207 6.484 5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.138 6.438 7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.642 8.105 7.041 1.00 0.00 H new ATOM 861 N THR A 83 9.578 8.225 8.636 1.00 0.00 N ATOM 862 CA THR A 83 8.392 8.656 9.356 1.00 0.00 C ATOM 863 C THR A 83 8.008 10.093 9.001 1.00 0.00 C ATOM 864 O THR A 83 8.838 11.000 9.078 1.00 0.00 O ATOM 865 CB THR A 83 8.642 8.567 10.871 1.00 0.00 C ATOM 866 OG1 THR A 83 9.249 7.307 11.185 1.00 0.00 O ATOM 867 CG2 THR A 83 7.346 8.723 11.649 1.00 0.00 C ATOM 0 H THR A 83 10.430 8.234 9.197 1.00 0.00 H new ATOM 0 HA THR A 83 7.573 7.998 9.066 1.00 0.00 H new ATOM 0 HB THR A 83 9.311 9.379 11.158 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.409 7.253 12.150 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.553 8.656 12.717 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.902 9.693 11.425 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.653 7.932 11.363 1.00 0.00 H new ATOM 875 N PHE A 84 6.758 10.293 8.607 1.00 0.00 N ATOM 876 CA PHE A 84 6.239 11.630 8.351 1.00 0.00 C ATOM 877 C PHE A 84 4.895 11.810 9.040 1.00 0.00 C ATOM 878 O PHE A 84 4.219 10.838 9.368 1.00 0.00 O ATOM 879 CB PHE A 84 6.073 11.890 6.852 1.00 0.00 C ATOM 880 CG PHE A 84 7.363 11.913 6.080 1.00 0.00 C ATOM 881 CD1 PHE A 84 8.114 13.074 5.999 1.00 0.00 C ATOM 882 CD2 PHE A 84 7.821 10.778 5.430 1.00 0.00 C ATOM 883 CE1 PHE A 84 9.295 13.102 5.284 1.00 0.00 C ATOM 884 CE2 PHE A 84 9.001 10.802 4.713 1.00 0.00 C ATOM 885 CZ PHE A 84 9.739 11.964 4.642 1.00 0.00 C ATOM 0 H PHE A 84 6.082 9.544 8.457 1.00 0.00 H new ATOM 0 HA PHE A 84 6.960 12.344 8.749 1.00 0.00 H new ATOM 0 HB2 PHE A 84 5.426 11.121 6.431 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.564 12.844 6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.772 13.967 6.501 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.248 9.864 5.485 1.00 0.00 H new ATOM 0 HE1 PHE A 84 9.871 14.014 5.227 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.345 9.911 4.208 1.00 0.00 H new ATOM 0 HZ PHE A 84 10.664 11.984 4.085 1.00 0.00 H new ATOM 895 N HIS A 85 4.520 13.054 9.272 1.00 0.00 N ATOM 896 CA HIS A 85 3.227 13.363 9.855 1.00 0.00 C ATOM 897 C HIS A 85 2.419 14.201 8.878 1.00 0.00 C ATOM 898 O HIS A 85 2.949 15.115 8.246 1.00 0.00 O ATOM 899 CB HIS A 85 3.386 14.095 11.190 1.00 0.00 C ATOM 900 CG HIS A 85 3.994 13.255 12.276 1.00 0.00 C ATOM 901 ND1 HIS A 85 3.311 12.869 13.412 1.00 0.00 N ATOM 902 CD2 HIS A 85 5.239 12.735 12.399 1.00 0.00 C ATOM 903 CE1 HIS A 85 4.109 12.150 14.181 1.00 0.00 C ATOM 904 NE2 HIS A 85 5.283 12.055 13.588 1.00 0.00 N ATOM 0 H HIS A 85 5.095 13.871 9.065 1.00 0.00 H new ATOM 0 HA HIS A 85 2.698 12.430 10.052 1.00 0.00 H new ATOM 0 HB2 HIS A 85 4.006 14.978 11.037 1.00 0.00 H new ATOM 0 HB3 HIS A 85 2.408 14.445 11.520 1.00 0.00 H new ATOM 0 HD2 HIS A 85 6.048 12.837 11.691 1.00 0.00 H new ATOM 0 HE1 HIS A 85 3.845 11.714 15.133 1.00 0.00 H new ATOM 0 HE2 HIS A 85 6.093 11.556 13.955 1.00 0.00 H new ATOM 913 N LEU A 86 1.143 13.888 8.751 1.00 0.00 N ATOM 914 CA LEU A 86 0.308 14.523 7.742 1.00 0.00 C ATOM 915 C LEU A 86 -1.034 14.926 8.335 1.00 0.00 C ATOM 916 O LEU A 86 -1.626 14.186 9.113 1.00 0.00 O ATOM 917 CB LEU A 86 0.102 13.556 6.569 1.00 0.00 C ATOM 918 CG LEU A 86 -0.013 14.180 5.171 1.00 0.00 C ATOM 919 CD1 LEU A 86 0.012 13.090 4.116 1.00 0.00 C ATOM 920 CD2 LEU A 86 -1.284 15.000 5.031 1.00 0.00 C ATOM 0 H LEU A 86 0.661 13.201 9.330 1.00 0.00 H new ATOM 0 HA LEU A 86 0.806 15.424 7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.933 12.851 6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.803 12.979 6.759 1.00 0.00 H new ATOM 0 HG LEU A 86 0.837 14.847 5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.070 13.540 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.948 12.537 4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.824 12.410 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.333 15.427 4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.150 14.359 5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.282 15.803 5.768 1.00 0.00 H new ATOM 932 N LYS A 87 -1.502 16.099 7.964 1.00 0.00 N ATOM 933 CA LYS A 87 -2.795 16.584 8.417 1.00 0.00 C ATOM 934 C LYS A 87 -3.862 16.277 7.371 1.00 0.00 C ATOM 935 O LYS A 87 -3.741 16.669 6.207 1.00 0.00 O ATOM 936 CB LYS A 87 -2.735 18.084 8.705 1.00 0.00 C ATOM 937 CG LYS A 87 -4.020 18.649 9.293 1.00 0.00 C ATOM 938 CD LYS A 87 -3.852 20.104 9.705 1.00 0.00 C ATOM 939 CE LYS A 87 -3.478 20.981 8.522 1.00 0.00 C ATOM 940 NZ LYS A 87 -3.223 22.390 8.926 1.00 0.00 N ATOM 0 H LYS A 87 -1.005 16.740 7.346 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.058 16.073 9.343 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.914 18.279 9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.506 18.613 7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.823 18.568 8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.317 18.057 10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.779 20.466 10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.081 20.179 10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.589 20.577 8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.281 20.956 7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.971 22.951 8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.079 22.786 9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.440 22.419 9.610 1.00 0.00 H new ATOM 954 N THR A 88 -4.891 15.561 7.789 1.00 0.00 N ATOM 955 CA THR A 88 -5.931 15.100 6.882 1.00 0.00 C ATOM 956 C THR A 88 -6.791 16.251 6.364 1.00 0.00 C ATOM 957 O THR A 88 -7.089 17.202 7.093 1.00 0.00 O ATOM 958 CB THR A 88 -6.817 14.051 7.571 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.333 14.565 8.804 1.00 0.00 O ATOM 960 CG2 THR A 88 -6.019 12.781 7.840 1.00 0.00 C ATOM 0 H THR A 88 -5.030 15.283 8.761 1.00 0.00 H new ATOM 0 HA THR A 88 -5.434 14.646 6.025 1.00 0.00 H new ATOM 0 HB THR A 88 -7.650 13.817 6.908 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.043 13.975 9.133 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.659 12.046 8.329 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.654 12.374 6.897 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.173 13.013 8.487 1.00 0.00 H new ATOM 968 N GLY A 89 -7.178 16.156 5.094 1.00 0.00 N ATOM 969 CA GLY A 89 -7.965 17.196 4.475 1.00 0.00 C ATOM 970 C GLY A 89 -9.416 17.167 4.902 1.00 0.00 C ATOM 971 O GLY A 89 -9.798 16.424 5.808 1.00 0.00 O ATOM 0 H GLY A 89 -6.956 15.370 4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.537 18.167 4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.908 17.092 3.391 1.00 0.00 H new ATOM 1101 N ALA A 98 -11.654 12.226 7.601 1.00 0.00 N ATOM 1102 CA ALA A 98 -10.392 12.513 6.934 1.00 0.00 C ATOM 1103 C ALA A 98 -10.402 12.062 5.476 1.00 0.00 C ATOM 1104 O ALA A 98 -10.913 10.988 5.153 1.00 0.00 O ATOM 1105 CB ALA A 98 -9.269 11.815 7.673 1.00 0.00 C ATOM 0 HA ALA A 98 -10.243 13.593 6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.321 12.026 7.178 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.230 12.176 8.701 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.447 10.740 7.673 1.00 0.00 H new ATOM 1111 N TYR A 99 -9.835 12.881 4.601 1.00 0.00 N ATOM 1112 CA TYR A 99 -9.796 12.558 3.181 1.00 0.00 C ATOM 1113 C TYR A 99 -8.354 12.409 2.699 1.00 0.00 C ATOM 1114 O TYR A 99 -8.103 11.850 1.633 1.00 0.00 O ATOM 1115 CB TYR A 99 -10.522 13.643 2.372 1.00 0.00 C ATOM 1116 CG TYR A 99 -10.783 13.261 0.932 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -11.621 12.198 0.620 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -10.190 13.958 -0.113 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -11.861 11.840 -0.690 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -10.424 13.606 -1.428 1.00 0.00 C ATOM 1121 CZ TYR A 99 -11.261 12.546 -1.712 1.00 0.00 C ATOM 1122 OH TYR A 99 -11.497 12.188 -3.022 1.00 0.00 O ATOM 0 H TYR A 99 -9.398 13.769 4.847 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.305 11.606 3.029 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -11.472 13.869 2.856 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -9.928 14.557 2.394 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -12.093 11.642 1.417 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -9.535 14.789 0.106 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -12.516 11.011 -0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -9.955 14.157 -2.229 1.00 0.00 H new ATOM 0 HH TYR A 99 -11.000 12.786 -3.619 1.00 0.00 H new ATOM 1132 N MET A 100 -7.408 12.897 3.504 1.00 0.00 N ATOM 1133 CA MET A 100 -5.988 12.883 3.136 1.00 0.00 C ATOM 1134 C MET A 100 -5.759 13.646 1.830 1.00 0.00 C ATOM 1135 O MET A 100 -6.512 14.566 1.503 1.00 0.00 O ATOM 1136 CB MET A 100 -5.464 11.446 3.021 1.00 0.00 C ATOM 1137 CG MET A 100 -5.502 10.677 4.333 1.00 0.00 C ATOM 1138 SD MET A 100 -4.717 9.063 4.213 1.00 0.00 S ATOM 1139 CE MET A 100 -3.025 9.526 3.847 1.00 0.00 C ATOM 0 H MET A 100 -7.599 13.308 4.418 1.00 0.00 H new ATOM 0 HA MET A 100 -5.431 13.384 3.928 1.00 0.00 H new ATOM 0 HB2 MET A 100 -6.056 10.911 2.279 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.438 11.471 2.653 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.005 11.262 5.107 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.539 10.550 4.646 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.343 8.889 4.411 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.837 9.404 2.780 1.00 0.00 H new ATOM 0 HE3 MET A 100 -2.864 10.567 4.127 1.00 0.00 H new ATOM 1149 N GLY A 101 -4.702 13.295 1.107 1.00 0.00 N ATOM 1150 CA GLY A 101 -4.413 13.973 -0.141 1.00 0.00 C ATOM 1151 C GLY A 101 -3.597 13.129 -1.094 1.00 0.00 C ATOM 1152 O GLY A 101 -2.797 13.654 -1.870 1.00 0.00 O ATOM 0 H GLY A 101 -4.044 12.558 1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.350 14.252 -0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.875 14.897 0.070 1.00 0.00 H new ATOM 1156 N ILE A 102 -3.797 11.822 -1.042 1.00 0.00 N ATOM 1157 CA ILE A 102 -3.092 10.899 -1.924 1.00 0.00 C ATOM 1158 C ILE A 102 -4.010 9.749 -2.312 1.00 0.00 C ATOM 1159 O ILE A 102 -5.069 9.562 -1.717 1.00 0.00 O ATOM 1160 CB ILE A 102 -1.784 10.342 -1.283 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -2.048 9.675 0.081 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -0.750 11.444 -1.115 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -2.604 8.269 0.012 1.00 0.00 C ATOM 0 H ILE A 102 -4.445 11.372 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 102 -2.802 11.460 -2.813 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.399 9.584 -1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.115 9.653 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.744 10.297 0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.153 11.030 -0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -0.509 11.868 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.152 12.224 -0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.755 7.887 1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.556 8.280 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -1.901 7.626 -0.518 1.00 0.00 H new ATOM 1175 N ARG A 103 -3.605 8.999 -3.316 1.00 0.00 N ATOM 1176 CA ARG A 103 -4.336 7.820 -3.744 1.00 0.00 C ATOM 1177 C ARG A 103 -3.554 6.576 -3.355 1.00 0.00 C ATOM 1178 O ARG A 103 -2.344 6.507 -3.575 1.00 0.00 O ATOM 1179 CB ARG A 103 -4.555 7.858 -5.258 1.00 0.00 C ATOM 1180 CG ARG A 103 -5.305 9.091 -5.741 1.00 0.00 C ATOM 1181 CD ARG A 103 -6.724 9.133 -5.208 1.00 0.00 C ATOM 1182 NE ARG A 103 -7.452 10.311 -5.680 1.00 0.00 N ATOM 1183 CZ ARG A 103 -8.745 10.536 -5.436 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -9.468 9.639 -4.776 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -9.325 11.644 -5.877 1.00 0.00 N ATOM 0 H ARG A 103 -2.762 9.187 -3.858 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.310 7.799 -3.256 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.587 7.815 -5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -5.108 6.968 -5.558 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.772 9.988 -5.425 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.326 9.100 -6.831 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.254 8.232 -5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -6.702 9.133 -4.118 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.941 11.002 -6.229 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -9.036 8.773 -4.453 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -10.456 9.816 -4.592 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.783 12.328 -6.405 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -10.313 11.812 -5.688 1.00 0.00 H new ATOM 1199 N THR A 104 -4.231 5.613 -2.759 1.00 0.00 N ATOM 1200 CA THR A 104 -3.578 4.402 -2.306 1.00 0.00 C ATOM 1201 C THR A 104 -3.991 3.191 -3.131 1.00 0.00 C ATOM 1202 O THR A 104 -5.175 2.972 -3.401 1.00 0.00 O ATOM 1203 CB THR A 104 -3.871 4.137 -0.823 1.00 0.00 C ATOM 1204 OG1 THR A 104 -5.113 4.754 -0.453 1.00 0.00 O ATOM 1205 CG2 THR A 104 -2.745 4.666 0.048 1.00 0.00 C ATOM 0 H THR A 104 -5.234 5.647 -2.578 1.00 0.00 H new ATOM 0 HA THR A 104 -2.507 4.557 -2.437 1.00 0.00 H new ATOM 0 HB THR A 104 -3.947 3.060 -0.670 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.197 4.761 0.523 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.972 4.468 1.096 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.813 4.170 -0.221 1.00 0.00 H new ATOM 0 HG23 THR A 104 -2.641 5.740 -0.104 1.00 0.00 H new ATOM 1213 N SER A 105 -2.998 2.428 -3.546 1.00 0.00 N ATOM 1214 CA SER A 105 -3.223 1.186 -4.252 1.00 0.00 C ATOM 1215 C SER A 105 -2.841 0.010 -3.362 1.00 0.00 C ATOM 1216 O SER A 105 -2.177 0.180 -2.345 1.00 0.00 O ATOM 1217 CB SER A 105 -2.405 1.159 -5.546 1.00 0.00 C ATOM 1218 OG SER A 105 -2.723 2.266 -6.374 1.00 0.00 O ATOM 0 H SER A 105 -2.014 2.654 -3.402 1.00 0.00 H new ATOM 0 HA SER A 105 -4.280 1.108 -4.507 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.341 1.173 -5.308 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.599 0.231 -6.084 1.00 0.00 H new ATOM 0 HG SER A 105 -2.186 2.227 -7.193 1.00 0.00 H new ATOM 1224 N ASN A 106 -3.262 -1.169 -3.757 1.00 0.00 N ATOM 1225 CA ASN A 106 -2.982 -2.391 -3.031 1.00 0.00 C ATOM 1226 C ASN A 106 -2.092 -3.275 -3.894 1.00 0.00 C ATOM 1227 O ASN A 106 -2.235 -4.500 -3.941 1.00 0.00 O ATOM 1228 CB ASN A 106 -4.304 -3.091 -2.712 1.00 0.00 C ATOM 1229 CG ASN A 106 -4.180 -4.156 -1.644 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -4.913 -5.145 -1.658 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -3.275 -3.955 -0.701 1.00 0.00 N ATOM 0 H ASN A 106 -3.816 -1.311 -4.602 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.466 -2.179 -2.094 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -5.032 -2.346 -2.389 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.695 -3.545 -3.623 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -3.164 -4.634 0.052 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -2.688 -3.121 -0.727 1.00 0.00 H new