USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 707 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 48 CYS SG : rot 180:sc= -1.81 USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0.271 USER MOD Set 2.1: A 26 THR OG1 : rot -54:sc= 0.00313 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0.00289 USER MOD Set 3.1: A 21 THR OG1 : rot -169:sc= -2.7 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= -1.66 USER MOD Single : A 9 THR OG1 : rot -26:sc= 0.184 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0204 K(o=-0.02,f=-0.97) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc=0.000623 USER MOD Single : A 25 THR OG1 : rot 7:sc= 0.731 USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.162) USER MOD Single : A 43 TYR OH : rot 30:sc= -1.19 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.255 USER MOD Single : A 59 ASN : amide:sc= -1.09 K(o=-1.1,f=-13!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 50:sc= -0.182 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -43:sc= 1.21 USER MOD Single : A 87 ASN : amide:sc= -3.13! C(o=-3.1!,f=-6.3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0.517 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 99 GLN : amide:sc= -0.245 K(o=-0.24,f=-2.5!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N THR A 9 -0.599 10.983 1.610 1.00 0.00 N ATOM 81 CA THR A 9 -1.924 10.422 1.407 1.00 0.00 C ATOM 82 C THR A 9 -2.226 9.368 2.474 1.00 0.00 C ATOM 83 O THR A 9 -1.326 8.926 3.187 1.00 0.00 O ATOM 84 CB THR A 9 -1.993 9.877 -0.021 1.00 0.00 C ATOM 85 OG1 THR A 9 -1.018 8.837 -0.044 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.488 10.883 -1.057 1.00 0.00 C ATOM 0 HA THR A 9 -2.697 11.183 1.518 1.00 0.00 H new ATOM 0 HB THR A 9 -3.021 9.601 -0.254 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.332 9.017 0.632 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.559 10.446 -2.053 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.096 11.787 -1.013 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.449 11.134 -0.844 1.00 0.00 H new ATOM 94 N SER A 10 -3.495 8.996 2.551 1.00 0.00 N ATOM 95 CA SER A 10 -3.927 8.003 3.520 1.00 0.00 C ATOM 96 C SER A 10 -3.352 6.633 3.156 1.00 0.00 C ATOM 97 O SER A 10 -3.380 6.232 1.994 1.00 0.00 O ATOM 98 CB SER A 10 -5.454 7.935 3.595 1.00 0.00 C ATOM 99 OG SER A 10 -5.925 7.978 4.939 1.00 0.00 O ATOM 0 H SER A 10 -4.239 9.365 1.958 1.00 0.00 H new ATOM 0 HA SER A 10 -3.555 8.297 4.501 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.882 8.766 3.034 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.800 7.018 3.119 1.00 0.00 H new ATOM 0 HG SER A 10 -6.904 7.934 4.944 1.00 0.00 H new ATOM 105 N ALA A 11 -2.842 5.952 4.172 1.00 0.00 N ATOM 106 CA ALA A 11 -2.261 4.635 3.975 1.00 0.00 C ATOM 107 C ALA A 11 -3.217 3.781 3.140 1.00 0.00 C ATOM 108 O ALA A 11 -4.394 4.110 3.006 1.00 0.00 O ATOM 109 CB ALA A 11 -1.951 4.005 5.334 1.00 0.00 C ATOM 0 H ALA A 11 -2.819 6.288 5.135 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.321 4.708 3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.515 3.017 5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.245 4.636 5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.871 3.913 5.911 1.00 0.00 H new ATOM 115 N PRO A 12 -2.660 2.671 2.585 1.00 0.00 N ATOM 116 CA PRO A 12 -3.450 1.767 1.766 1.00 0.00 C ATOM 117 C PRO A 12 -4.376 0.911 2.633 1.00 0.00 C ATOM 118 O PRO A 12 -4.161 0.781 3.837 1.00 0.00 O ATOM 119 CB PRO A 12 -2.431 0.944 0.994 1.00 0.00 C ATOM 120 CG PRO A 12 -1.118 1.094 1.746 1.00 0.00 C ATOM 121 CD PRO A 12 -1.269 2.249 2.721 1.00 0.00 C ATOM 0 HA PRO A 12 -4.118 2.292 1.083 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.733 -0.102 0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.337 1.301 -0.032 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.876 0.174 2.278 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.300 1.285 1.051 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.048 1.937 3.742 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.584 3.062 2.481 1.00 0.00 H new ATOM 129 N GLN A 13 -5.387 0.349 1.986 1.00 0.00 N ATOM 130 CA GLN A 13 -6.347 -0.490 2.682 1.00 0.00 C ATOM 131 C GLN A 13 -6.864 -1.589 1.751 1.00 0.00 C ATOM 132 O GLN A 13 -6.620 -1.553 0.546 1.00 0.00 O ATOM 133 CB GLN A 13 -7.501 0.344 3.240 1.00 0.00 C ATOM 134 CG GLN A 13 -7.746 1.586 2.380 1.00 0.00 C ATOM 135 CD GLN A 13 -9.178 2.097 2.551 1.00 0.00 C ATOM 136 OE1 GLN A 13 -9.910 1.687 3.437 1.00 0.00 O ATOM 137 NE2 GLN A 13 -9.536 3.012 1.655 1.00 0.00 N ATOM 0 H GLN A 13 -5.562 0.459 0.987 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.843 -0.962 3.525 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.407 -0.261 3.278 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.276 0.644 4.263 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.041 2.370 2.657 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.563 1.349 1.332 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.874 3.311 0.939 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.473 3.415 1.684 1.00 0.00 H new ATOM 146 N HIS A 14 -7.568 -2.541 2.346 1.00 0.00 N ATOM 147 CA HIS A 14 -8.122 -3.648 1.585 1.00 0.00 C ATOM 148 C HIS A 14 -6.985 -4.476 0.982 1.00 0.00 C ATOM 149 O HIS A 14 -7.109 -4.993 -0.127 1.00 0.00 O ATOM 150 CB HIS A 14 -9.110 -3.144 0.532 1.00 0.00 C ATOM 151 CG HIS A 14 -10.465 -2.776 1.088 1.00 0.00 C ATOM 152 ND1 HIS A 14 -11.548 -3.637 1.057 1.00 0.00 N ATOM 153 CD2 HIS A 14 -10.900 -1.632 1.690 1.00 0.00 C ATOM 154 CE1 HIS A 14 -12.583 -3.029 1.617 1.00 0.00 C ATOM 155 NE2 HIS A 14 -12.180 -1.786 2.008 1.00 0.00 N ATOM 0 H HIS A 14 -7.767 -2.569 3.346 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.689 -4.301 2.248 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.683 -2.272 0.036 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.238 -3.913 -0.229 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.304 -0.751 1.876 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.572 -3.444 1.742 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.765 -1.089 2.469 1.00 0.00 H new ATOM 163 N LEU A 15 -5.902 -4.576 1.740 1.00 0.00 N ATOM 164 CA LEU A 15 -4.744 -5.332 1.294 1.00 0.00 C ATOM 165 C LEU A 15 -4.885 -6.787 1.746 1.00 0.00 C ATOM 166 O LEU A 15 -4.872 -7.073 2.942 1.00 0.00 O ATOM 167 CB LEU A 15 -3.453 -4.663 1.769 1.00 0.00 C ATOM 168 CG LEU A 15 -2.151 -5.375 1.394 1.00 0.00 C ATOM 169 CD1 LEU A 15 -1.841 -5.201 -0.094 1.00 0.00 C ATOM 170 CD2 LEU A 15 -0.995 -4.906 2.279 1.00 0.00 C ATOM 0 H LEU A 15 -5.803 -4.146 2.660 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.690 -5.340 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.421 -3.652 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.493 -4.570 2.854 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.281 -6.442 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.911 -5.716 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.653 -5.622 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.738 -4.140 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.082 -5.427 1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.854 -3.832 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.224 -5.124 3.322 1.00 0.00 H new ATOM 182 N THR A 16 -5.018 -7.667 0.764 1.00 0.00 N ATOM 183 CA THR A 16 -5.161 -9.085 1.046 1.00 0.00 C ATOM 184 C THR A 16 -4.412 -9.915 0.002 1.00 0.00 C ATOM 185 O THR A 16 -3.881 -9.370 -0.965 1.00 0.00 O ATOM 186 CB THR A 16 -6.656 -9.404 1.117 1.00 0.00 C ATOM 187 OG1 THR A 16 -7.230 -8.610 0.082 1.00 0.00 O ATOM 188 CG2 THR A 16 -7.308 -8.876 2.396 1.00 0.00 C ATOM 0 H THR A 16 -5.030 -7.425 -0.227 1.00 0.00 H new ATOM 0 HA THR A 16 -4.712 -9.345 2.005 1.00 0.00 H new ATOM 0 HB THR A 16 -6.800 -10.483 1.055 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.199 -8.757 0.056 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.368 -9.129 2.395 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.827 -9.329 3.263 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.194 -7.793 2.442 1.00 0.00 H new ATOM 196 N VAL A 17 -4.392 -11.220 0.232 1.00 0.00 N ATOM 197 CA VAL A 17 -3.716 -12.130 -0.677 1.00 0.00 C ATOM 198 C VAL A 17 -4.751 -12.802 -1.582 1.00 0.00 C ATOM 199 O VAL A 17 -5.514 -13.655 -1.132 1.00 0.00 O ATOM 200 CB VAL A 17 -2.875 -13.132 0.116 1.00 0.00 C ATOM 201 CG1 VAL A 17 -2.415 -14.288 -0.775 1.00 0.00 C ATOM 202 CG2 VAL A 17 -1.682 -12.443 0.780 1.00 0.00 C ATOM 0 H VAL A 17 -4.833 -11.669 1.035 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.026 -11.585 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.503 -13.546 0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.819 -14.986 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.286 -14.805 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.812 -13.898 -1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.101 -13.178 1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.053 -11.988 0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.040 -11.672 1.462 1.00 0.00 H new ATOM 212 N GLU A 18 -4.744 -12.391 -2.842 1.00 0.00 N ATOM 213 CA GLU A 18 -5.672 -12.942 -3.814 1.00 0.00 C ATOM 214 C GLU A 18 -5.296 -14.387 -4.147 1.00 0.00 C ATOM 215 O GLU A 18 -6.148 -15.274 -4.133 1.00 0.00 O ATOM 216 CB GLU A 18 -5.717 -12.082 -5.078 1.00 0.00 C ATOM 217 CG GLU A 18 -6.237 -10.677 -4.767 1.00 0.00 C ATOM 218 CD GLU A 18 -7.731 -10.706 -4.438 1.00 0.00 C ATOM 219 OE1 GLU A 18 -8.519 -10.895 -5.390 1.00 0.00 O ATOM 220 OE2 GLU A 18 -8.051 -10.538 -3.241 1.00 0.00 O ATOM 0 H GLU A 18 -4.110 -11.683 -3.212 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.670 -12.939 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.720 -12.016 -5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.359 -12.555 -5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.684 -10.258 -3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.062 -10.023 -5.621 1.00 0.00 H new ATOM 227 N ASP A 19 -4.018 -14.580 -4.439 1.00 0.00 N ATOM 228 CA ASP A 19 -3.518 -15.902 -4.775 1.00 0.00 C ATOM 229 C ASP A 19 -2.082 -16.044 -4.268 1.00 0.00 C ATOM 230 O ASP A 19 -1.441 -15.053 -3.922 1.00 0.00 O ATOM 231 CB ASP A 19 -3.508 -16.119 -6.290 1.00 0.00 C ATOM 232 CG ASP A 19 -3.399 -17.579 -6.734 1.00 0.00 C ATOM 233 OD1 ASP A 19 -4.361 -18.328 -6.461 1.00 0.00 O ATOM 234 OD2 ASP A 19 -2.355 -17.912 -7.335 1.00 0.00 O ATOM 0 H ASP A 19 -3.314 -13.842 -4.450 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.173 -16.638 -4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.421 -15.695 -6.709 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.673 -15.562 -6.716 1.00 0.00 H new ATOM 239 N VAL A 20 -1.618 -17.285 -4.238 1.00 0.00 N ATOM 240 CA VAL A 20 -0.269 -17.570 -3.779 1.00 0.00 C ATOM 241 C VAL A 20 0.355 -18.640 -4.676 1.00 0.00 C ATOM 242 O VAL A 20 -0.326 -19.569 -5.106 1.00 0.00 O ATOM 243 CB VAL A 20 -0.293 -17.967 -2.301 1.00 0.00 C ATOM 244 CG1 VAL A 20 1.070 -18.500 -1.855 1.00 0.00 C ATOM 245 CG2 VAL A 20 -0.737 -16.794 -1.425 1.00 0.00 C ATOM 0 H VAL A 20 -2.153 -18.105 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 20 0.356 -16.680 -3.853 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.022 -18.769 -2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.026 -18.775 -0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.330 -19.377 -2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.827 -17.728 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.745 -17.103 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.044 -15.962 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.739 -16.480 -1.718 1.00 0.00 H new ATOM 255 N THR A 21 1.645 -18.474 -4.931 1.00 0.00 N ATOM 256 CA THR A 21 2.369 -19.414 -5.769 1.00 0.00 C ATOM 257 C THR A 21 3.455 -20.124 -4.959 1.00 0.00 C ATOM 258 O THR A 21 3.392 -20.164 -3.731 1.00 0.00 O ATOM 259 CB THR A 21 2.914 -18.649 -6.977 1.00 0.00 C ATOM 260 OG1 THR A 21 2.530 -17.298 -6.734 1.00 0.00 O ATOM 261 CG2 THR A 21 2.192 -19.014 -8.276 1.00 0.00 C ATOM 0 H THR A 21 2.207 -17.702 -4.572 1.00 0.00 H new ATOM 0 HA THR A 21 1.713 -20.203 -6.135 1.00 0.00 H new ATOM 0 HB THR A 21 3.979 -18.852 -7.085 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.686 -16.763 -7.540 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.617 -18.443 -9.101 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.312 -20.080 -8.472 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.132 -18.780 -8.181 1.00 0.00 H new ATOM 269 N ASP A 22 4.427 -20.666 -5.679 1.00 0.00 N ATOM 270 CA ASP A 22 5.526 -21.372 -5.042 1.00 0.00 C ATOM 271 C ASP A 22 6.611 -20.368 -4.649 1.00 0.00 C ATOM 272 O ASP A 22 7.083 -20.372 -3.513 1.00 0.00 O ATOM 273 CB ASP A 22 6.149 -22.394 -5.994 1.00 0.00 C ATOM 274 CG ASP A 22 5.148 -23.194 -6.830 1.00 0.00 C ATOM 275 OD1 ASP A 22 4.636 -22.614 -7.811 1.00 0.00 O ATOM 276 OD2 ASP A 22 4.917 -24.368 -6.468 1.00 0.00 O ATOM 0 H ASP A 22 4.476 -20.630 -6.697 1.00 0.00 H new ATOM 0 HA ASP A 22 5.133 -21.888 -4.166 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.828 -21.873 -6.669 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.751 -23.091 -5.411 1.00 0.00 H new ATOM 281 N THR A 23 6.976 -19.532 -5.610 1.00 0.00 N ATOM 282 CA THR A 23 7.997 -18.525 -5.379 1.00 0.00 C ATOM 283 C THR A 23 7.449 -17.130 -5.685 1.00 0.00 C ATOM 284 O THR A 23 8.212 -16.173 -5.812 1.00 0.00 O ATOM 285 CB THR A 23 9.223 -18.894 -6.216 1.00 0.00 C ATOM 286 OG1 THR A 23 8.683 -19.248 -7.486 1.00 0.00 O ATOM 287 CG2 THR A 23 9.901 -20.176 -5.728 1.00 0.00 C ATOM 0 H THR A 23 6.582 -19.532 -6.551 1.00 0.00 H new ATOM 0 HA THR A 23 8.297 -18.499 -4.331 1.00 0.00 H new ATOM 0 HB THR A 23 9.939 -18.073 -6.191 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.411 -19.500 -8.092 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.765 -20.393 -6.356 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.226 -20.045 -4.696 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.195 -21.005 -5.784 1.00 0.00 H new ATOM 295 N THR A 24 6.131 -17.058 -5.796 1.00 0.00 N ATOM 296 CA THR A 24 5.472 -15.795 -6.085 1.00 0.00 C ATOM 297 C THR A 24 4.164 -15.684 -5.298 1.00 0.00 C ATOM 298 O THR A 24 3.690 -16.667 -4.733 1.00 0.00 O ATOM 299 CB THR A 24 5.280 -15.699 -7.600 1.00 0.00 C ATOM 300 OG1 THR A 24 4.932 -17.024 -7.991 1.00 0.00 O ATOM 301 CG2 THR A 24 6.591 -15.423 -8.340 1.00 0.00 C ATOM 0 H THR A 24 5.501 -17.854 -5.691 1.00 0.00 H new ATOM 0 HA THR A 24 6.080 -14.949 -5.765 1.00 0.00 H new ATOM 0 HB THR A 24 4.563 -14.910 -7.826 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.788 -17.052 -8.960 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.399 -15.364 -9.411 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.012 -14.479 -7.995 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.297 -16.229 -8.142 1.00 0.00 H new ATOM 309 N THR A 25 3.619 -14.476 -5.288 1.00 0.00 N ATOM 310 CA THR A 25 2.376 -14.223 -4.580 1.00 0.00 C ATOM 311 C THR A 25 1.669 -12.998 -5.164 1.00 0.00 C ATOM 312 O THR A 25 2.317 -12.102 -5.704 1.00 0.00 O ATOM 313 CB THR A 25 2.699 -14.085 -3.091 1.00 0.00 C ATOM 314 OG1 THR A 25 2.844 -15.430 -2.641 1.00 0.00 O ATOM 315 CG2 THR A 25 1.516 -13.548 -2.282 1.00 0.00 C ATOM 0 H THR A 25 4.015 -13.663 -5.759 1.00 0.00 H new ATOM 0 HA THR A 25 1.677 -15.051 -4.700 1.00 0.00 H new ATOM 0 HB THR A 25 3.555 -13.422 -2.966 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.802 -16.038 -3.408 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.799 -13.469 -1.232 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.236 -12.564 -2.657 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.670 -14.228 -2.380 1.00 0.00 H new ATOM 323 N THR A 26 0.351 -12.998 -5.035 1.00 0.00 N ATOM 324 CA THR A 26 -0.451 -11.897 -5.544 1.00 0.00 C ATOM 325 C THR A 26 -0.995 -11.055 -4.388 1.00 0.00 C ATOM 326 O THR A 26 -1.221 -11.569 -3.294 1.00 0.00 O ATOM 327 CB THR A 26 -1.546 -12.483 -6.437 1.00 0.00 C ATOM 328 OG1 THR A 26 -0.829 -13.140 -7.479 1.00 0.00 O ATOM 329 CG2 THR A 26 -2.350 -11.403 -7.162 1.00 0.00 C ATOM 0 H THR A 26 -0.182 -13.742 -4.586 1.00 0.00 H new ATOM 0 HA THR A 26 0.149 -11.216 -6.147 1.00 0.00 H new ATOM 0 HB THR A 26 -2.219 -13.093 -5.834 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.206 -12.509 -7.896 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.114 -11.873 -7.782 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.827 -10.751 -6.430 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.683 -10.814 -7.792 1.00 0.00 H new ATOM 337 N LEU A 27 -1.190 -9.776 -4.671 1.00 0.00 N ATOM 338 CA LEU A 27 -1.703 -8.858 -3.668 1.00 0.00 C ATOM 339 C LEU A 27 -2.744 -7.938 -4.311 1.00 0.00 C ATOM 340 O LEU A 27 -2.729 -7.729 -5.523 1.00 0.00 O ATOM 341 CB LEU A 27 -0.555 -8.108 -2.990 1.00 0.00 C ATOM 342 CG LEU A 27 0.448 -8.970 -2.221 1.00 0.00 C ATOM 343 CD1 LEU A 27 1.789 -8.249 -2.071 1.00 0.00 C ATOM 344 CD2 LEU A 27 -0.124 -9.403 -0.870 1.00 0.00 C ATOM 0 H LEU A 27 -1.002 -9.353 -5.580 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.208 -9.406 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.013 -7.548 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.981 -7.379 -2.301 1.00 0.00 H new ATOM 0 HG LEU A 27 0.633 -9.876 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.484 -8.884 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.198 -8.033 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.642 -7.316 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.609 -10.015 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.356 -8.521 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.033 -9.983 -1.029 1.00 0.00 H new ATOM 356 N LYS A 28 -3.624 -7.415 -3.469 1.00 0.00 N ATOM 357 CA LYS A 28 -4.670 -6.523 -3.940 1.00 0.00 C ATOM 358 C LYS A 28 -5.050 -5.553 -2.819 1.00 0.00 C ATOM 359 O LYS A 28 -5.510 -5.974 -1.759 1.00 0.00 O ATOM 360 CB LYS A 28 -5.852 -7.325 -4.486 1.00 0.00 C ATOM 361 CG LYS A 28 -6.290 -6.795 -5.853 1.00 0.00 C ATOM 362 CD LYS A 28 -7.744 -7.169 -6.147 1.00 0.00 C ATOM 363 CE LYS A 28 -8.656 -5.945 -6.045 1.00 0.00 C ATOM 364 NZ LYS A 28 -9.184 -5.580 -7.378 1.00 0.00 N ATOM 0 H LYS A 28 -3.634 -7.592 -2.464 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.310 -5.921 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.575 -8.376 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.686 -7.271 -3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.177 -5.711 -5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.642 -7.202 -6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.818 -7.600 -7.146 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.076 -7.934 -5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.482 -6.155 -5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.102 -5.106 -5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.962 -4.899 -7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.426 -5.151 -7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.536 -6.433 -7.857 1.00 0.00 H new ATOM 378 N TRP A 29 -4.844 -4.273 -3.092 1.00 0.00 N ATOM 379 CA TRP A 29 -5.159 -3.241 -2.119 1.00 0.00 C ATOM 380 C TRP A 29 -6.090 -2.228 -2.790 1.00 0.00 C ATOM 381 O TRP A 29 -6.480 -2.407 -3.942 1.00 0.00 O ATOM 382 CB TRP A 29 -3.884 -2.603 -1.563 1.00 0.00 C ATOM 383 CG TRP A 29 -3.109 -1.768 -2.585 1.00 0.00 C ATOM 384 CD1 TRP A 29 -3.424 -0.561 -3.072 1.00 0.00 C ATOM 385 CD2 TRP A 29 -1.869 -2.130 -3.228 1.00 0.00 C ATOM 386 NE1 TRP A 29 -2.482 -0.119 -3.979 1.00 0.00 N ATOM 387 CE2 TRP A 29 -1.506 -1.104 -4.076 1.00 0.00 C ATOM 388 CE3 TRP A 29 -1.079 -3.286 -3.096 1.00 0.00 C ATOM 389 CZ2 TRP A 29 -0.346 -1.131 -4.860 1.00 0.00 C ATOM 390 CZ3 TRP A 29 0.077 -3.298 -3.886 1.00 0.00 C ATOM 391 CH2 TRP A 29 0.456 -2.273 -4.745 1.00 0.00 C ATOM 0 H TRP A 29 -4.463 -3.927 -3.973 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.671 -3.668 -1.256 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.147 -1.969 -0.716 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.232 -3.390 -1.183 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.305 -0.003 -2.790 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.499 0.767 -4.485 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.343 -4.100 -2.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.084 -0.315 -5.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.719 -4.164 -3.824 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.365 -2.357 -5.321 1.00 0.00 H new ATOM 402 N ARG A 30 -6.419 -1.188 -2.039 1.00 0.00 N ATOM 403 CA ARG A 30 -7.297 -0.147 -2.546 1.00 0.00 C ATOM 404 C ARG A 30 -6.684 1.233 -2.295 1.00 0.00 C ATOM 405 O ARG A 30 -5.883 1.403 -1.377 1.00 0.00 O ATOM 406 CB ARG A 30 -8.673 -0.215 -1.881 1.00 0.00 C ATOM 407 CG ARG A 30 -9.496 -1.377 -2.442 1.00 0.00 C ATOM 408 CD ARG A 30 -10.713 -0.864 -3.214 1.00 0.00 C ATOM 409 NE ARG A 30 -10.455 -0.933 -4.669 1.00 0.00 N ATOM 410 CZ ARG A 30 -10.219 -2.070 -5.338 1.00 0.00 C ATOM 411 NH1 ARG A 30 -10.208 -3.240 -4.686 1.00 0.00 N ATOM 412 NH2 ARG A 30 -9.995 -2.036 -6.659 1.00 0.00 N ATOM 0 H ARG A 30 -6.094 -1.044 -1.083 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.416 -0.306 -3.618 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.555 -0.335 -0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.205 0.723 -2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.874 -1.984 -3.099 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.823 -2.022 -1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.591 -1.460 -2.963 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.932 0.164 -2.923 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.457 -0.060 -5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.379 -3.265 -3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.028 -4.106 -5.195 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.004 -1.145 -7.155 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.815 -2.901 -7.168 1.00 0.00 H new ATOM 426 N PRO A 31 -7.095 2.208 -3.149 1.00 0.00 N ATOM 427 CA PRO A 31 -6.596 3.567 -3.029 1.00 0.00 C ATOM 428 C PRO A 31 -7.242 4.286 -1.843 1.00 0.00 C ATOM 429 O PRO A 31 -8.320 3.901 -1.391 1.00 0.00 O ATOM 430 CB PRO A 31 -6.912 4.222 -4.364 1.00 0.00 C ATOM 431 CG PRO A 31 -7.984 3.358 -5.008 1.00 0.00 C ATOM 432 CD PRO A 31 -8.043 2.043 -4.248 1.00 0.00 C ATOM 0 HA PRO A 31 -5.526 3.605 -2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.266 5.244 -4.224 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.023 4.276 -4.993 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.950 3.861 -4.975 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.752 3.182 -6.058 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.049 1.844 -3.877 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.767 1.204 -4.886 1.00 0.00 H new ATOM 440 N PRO A 32 -6.538 5.345 -1.360 1.00 0.00 N ATOM 441 CA PRO A 32 -7.032 6.121 -0.235 1.00 0.00 C ATOM 442 C PRO A 32 -8.181 7.036 -0.662 1.00 0.00 C ATOM 443 O PRO A 32 -8.515 7.109 -1.844 1.00 0.00 O ATOM 444 CB PRO A 32 -5.822 6.886 0.276 1.00 0.00 C ATOM 445 CG PRO A 32 -4.810 6.871 -0.858 1.00 0.00 C ATOM 446 CD PRO A 32 -5.259 5.829 -1.870 1.00 0.00 C ATOM 0 HA PRO A 32 -7.455 5.498 0.553 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.091 7.907 0.546 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.413 6.417 1.171 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.746 7.854 -1.325 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.816 6.632 -0.480 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.368 6.263 -2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.534 5.019 -1.953 1.00 0.00 H new ATOM 454 N ASP A 33 -8.755 7.710 0.323 1.00 0.00 N ATOM 455 CA ASP A 33 -9.860 8.618 0.064 1.00 0.00 C ATOM 456 C ASP A 33 -9.359 10.061 0.143 1.00 0.00 C ATOM 457 O ASP A 33 -9.915 10.951 -0.499 1.00 0.00 O ATOM 458 CB ASP A 33 -10.970 8.445 1.104 1.00 0.00 C ATOM 459 CG ASP A 33 -12.257 7.808 0.576 1.00 0.00 C ATOM 460 OD1 ASP A 33 -12.916 8.467 -0.257 1.00 0.00 O ATOM 461 OD2 ASP A 33 -12.552 6.676 1.018 1.00 0.00 O ATOM 0 H ASP A 33 -8.476 7.646 1.302 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.255 8.394 -0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.589 7.834 1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.211 9.422 1.522 1.00 0.00 H new ATOM 466 N ARG A 34 -8.314 10.248 0.935 1.00 0.00 N ATOM 467 CA ARG A 34 -7.731 11.568 1.106 1.00 0.00 C ATOM 468 C ARG A 34 -6.408 11.667 0.344 1.00 0.00 C ATOM 469 O ARG A 34 -5.336 11.626 0.946 1.00 0.00 O ATOM 470 CB ARG A 34 -7.484 11.874 2.585 1.00 0.00 C ATOM 471 CG ARG A 34 -8.702 12.550 3.216 1.00 0.00 C ATOM 472 CD ARG A 34 -9.631 11.518 3.858 1.00 0.00 C ATOM 473 NE ARG A 34 -10.230 12.074 5.092 1.00 0.00 N ATOM 474 CZ ARG A 34 -11.138 13.059 5.108 1.00 0.00 C ATOM 475 NH1 ARG A 34 -11.557 13.604 3.958 1.00 0.00 N ATOM 476 NH2 ARG A 34 -11.626 13.501 6.275 1.00 0.00 N ATOM 0 H ARG A 34 -7.856 9.507 1.466 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.438 12.296 0.709 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.259 10.950 3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.612 12.520 2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.375 13.268 3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.246 13.111 2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.417 11.238 3.157 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.074 10.611 4.091 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.933 11.683 5.986 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.185 13.269 3.069 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.248 14.354 3.971 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.306 13.088 7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.317 14.251 6.287 1.00 0.00 H new ATOM 559 N ASP A 41 1.831 8.657 -6.385 1.00 0.00 N ATOM 560 CA ASP A 41 2.727 8.130 -7.401 1.00 0.00 C ATOM 561 C ASP A 41 2.469 6.633 -7.575 1.00 0.00 C ATOM 562 O ASP A 41 2.319 6.152 -8.698 1.00 0.00 O ATOM 563 CB ASP A 41 4.190 8.313 -6.993 1.00 0.00 C ATOM 564 CG ASP A 41 4.982 9.301 -7.852 1.00 0.00 C ATOM 565 OD1 ASP A 41 4.357 10.279 -8.315 1.00 0.00 O ATOM 566 OD2 ASP A 41 6.196 9.055 -8.027 1.00 0.00 O ATOM 0 HA ASP A 41 2.541 8.671 -8.329 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.223 8.648 -5.956 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.686 7.343 -7.031 1.00 0.00 H new ATOM 571 N GLY A 42 2.424 5.937 -6.449 1.00 0.00 N ATOM 572 CA GLY A 42 2.186 4.504 -6.463 1.00 0.00 C ATOM 573 C GLY A 42 2.293 3.916 -5.054 1.00 0.00 C ATOM 574 O GLY A 42 1.999 4.593 -4.071 1.00 0.00 O ATOM 0 H GLY A 42 2.548 6.339 -5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.196 4.300 -6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.908 4.018 -7.119 1.00 0.00 H new ATOM 578 N TYR A 43 2.717 2.661 -5.002 1.00 0.00 N ATOM 579 CA TYR A 43 2.867 1.975 -3.730 1.00 0.00 C ATOM 580 C TYR A 43 4.121 1.099 -3.725 1.00 0.00 C ATOM 581 O TYR A 43 4.428 0.442 -4.719 1.00 0.00 O ATOM 582 CB TYR A 43 1.634 1.080 -3.586 1.00 0.00 C ATOM 583 CG TYR A 43 0.418 1.788 -2.986 1.00 0.00 C ATOM 584 CD1 TYR A 43 0.373 2.055 -1.633 1.00 0.00 C ATOM 585 CD2 TYR A 43 -0.634 2.161 -3.798 1.00 0.00 C ATOM 586 CE1 TYR A 43 -0.772 2.722 -1.068 1.00 0.00 C ATOM 587 CE2 TYR A 43 -1.778 2.828 -3.234 1.00 0.00 C ATOM 588 CZ TYR A 43 -1.791 3.075 -1.897 1.00 0.00 C ATOM 589 OH TYR A 43 -2.872 3.705 -1.363 1.00 0.00 O ATOM 0 H TYR A 43 2.961 2.102 -5.820 1.00 0.00 H new ATOM 0 HA TYR A 43 2.960 2.693 -2.915 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.366 0.688 -4.567 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.889 0.225 -2.960 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.196 1.764 -0.998 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.599 1.952 -4.857 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.820 2.937 -0.011 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.607 3.126 -3.859 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.593 4.229 -0.583 1.00 0.00 H new ATOM 599 N LEU A 44 4.813 1.118 -2.595 1.00 0.00 N ATOM 600 CA LEU A 44 6.027 0.334 -2.447 1.00 0.00 C ATOM 601 C LEU A 44 5.718 -0.931 -1.643 1.00 0.00 C ATOM 602 O LEU A 44 5.270 -0.850 -0.500 1.00 0.00 O ATOM 603 CB LEU A 44 7.146 1.187 -1.846 1.00 0.00 C ATOM 604 CG LEU A 44 8.095 1.849 -2.846 1.00 0.00 C ATOM 605 CD1 LEU A 44 9.157 2.683 -2.125 1.00 0.00 C ATOM 606 CD2 LEU A 44 8.718 0.811 -3.781 1.00 0.00 C ATOM 0 H LEU A 44 4.556 1.664 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 44 6.393 0.011 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.693 1.967 -1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.735 0.559 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 44 7.515 2.533 -3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.819 3.143 -2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.671 3.461 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.739 2.040 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.388 1.308 -4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.280 0.084 -3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.930 0.300 -4.334 1.00 0.00 H new ATOM 618 N VAL A 45 5.969 -2.070 -2.271 1.00 0.00 N ATOM 619 CA VAL A 45 5.723 -3.349 -1.628 1.00 0.00 C ATOM 620 C VAL A 45 7.033 -3.883 -1.047 1.00 0.00 C ATOM 621 O VAL A 45 8.057 -3.902 -1.728 1.00 0.00 O ATOM 622 CB VAL A 45 5.070 -4.316 -2.619 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.609 -5.594 -1.915 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.909 -3.645 -3.355 1.00 0.00 C ATOM 0 H VAL A 45 6.340 -2.134 -3.219 1.00 0.00 H new ATOM 0 HA VAL A 45 5.024 -3.232 -0.800 1.00 0.00 H new ATOM 0 HB VAL A 45 5.820 -4.594 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.149 -6.264 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.467 -6.088 -1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.882 -5.342 -1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.463 -4.353 -4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.158 -3.324 -2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.278 -2.779 -3.904 1.00 0.00 H new ATOM 634 N GLU A 46 6.959 -4.305 0.207 1.00 0.00 N ATOM 635 CA GLU A 46 8.126 -4.837 0.888 1.00 0.00 C ATOM 636 C GLU A 46 7.729 -6.014 1.781 1.00 0.00 C ATOM 637 O GLU A 46 6.674 -5.990 2.414 1.00 0.00 O ATOM 638 CB GLU A 46 8.833 -3.749 1.698 1.00 0.00 C ATOM 639 CG GLU A 46 9.173 -2.544 0.818 1.00 0.00 C ATOM 640 CD GLU A 46 10.466 -1.872 1.284 1.00 0.00 C ATOM 641 OE1 GLU A 46 11.315 -2.600 1.842 1.00 0.00 O ATOM 642 OE2 GLU A 46 10.577 -0.645 1.071 1.00 0.00 O ATOM 0 H GLU A 46 6.108 -4.289 0.769 1.00 0.00 H new ATOM 0 HA GLU A 46 8.828 -5.197 0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.195 -3.433 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.746 -4.152 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.279 -2.864 -0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.354 -1.825 0.848 1.00 0.00 H new ATOM 649 N TYR A 47 8.595 -7.017 1.805 1.00 0.00 N ATOM 650 CA TYR A 47 8.347 -8.200 2.611 1.00 0.00 C ATOM 651 C TYR A 47 9.486 -8.435 3.605 1.00 0.00 C ATOM 652 O TYR A 47 10.645 -8.155 3.305 1.00 0.00 O ATOM 653 CB TYR A 47 8.293 -9.374 1.630 1.00 0.00 C ATOM 654 CG TYR A 47 9.593 -9.600 0.857 1.00 0.00 C ATOM 655 CD1 TYR A 47 9.879 -8.830 -0.252 1.00 0.00 C ATOM 656 CD2 TYR A 47 10.481 -10.573 1.269 1.00 0.00 C ATOM 657 CE1 TYR A 47 11.103 -9.043 -0.980 1.00 0.00 C ATOM 658 CE2 TYR A 47 11.705 -10.786 0.542 1.00 0.00 C ATOM 659 CZ TYR A 47 11.956 -10.010 -0.547 1.00 0.00 C ATOM 660 OH TYR A 47 13.112 -10.211 -1.234 1.00 0.00 O ATOM 0 H TYR A 47 9.469 -7.034 1.279 1.00 0.00 H new ATOM 0 HA TYR A 47 7.426 -8.089 3.183 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.047 -10.282 2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.485 -9.203 0.919 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.185 -8.068 -0.574 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.257 -11.175 2.137 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.338 -8.448 -1.850 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.408 -11.544 0.854 1.00 0.00 H new ATOM 0 HH TYR A 47 13.623 -10.932 -0.810 1.00 0.00 H new ATOM 670 N CYS A 48 9.116 -8.947 4.770 1.00 0.00 N ATOM 671 CA CYS A 48 10.092 -9.222 5.810 1.00 0.00 C ATOM 672 C CYS A 48 9.989 -10.702 6.186 1.00 0.00 C ATOM 673 O CYS A 48 8.959 -11.149 6.688 1.00 0.00 O ATOM 674 CB CYS A 48 9.897 -8.311 7.024 1.00 0.00 C ATOM 675 SG CYS A 48 11.118 -8.728 8.322 1.00 0.00 S ATOM 0 H CYS A 48 8.154 -9.178 5.016 1.00 0.00 H new ATOM 0 HA CYS A 48 11.094 -9.011 5.437 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.010 -7.268 6.728 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.886 -8.424 7.415 1.00 0.00 H new ATOM 0 HG CYS A 48 10.944 -7.948 9.348 1.00 0.00 H new ATOM 681 N LEU A 49 11.072 -11.421 5.928 1.00 0.00 N ATOM 682 CA LEU A 49 11.117 -12.841 6.232 1.00 0.00 C ATOM 683 C LEU A 49 11.054 -13.036 7.748 1.00 0.00 C ATOM 684 O LEU A 49 11.745 -12.345 8.495 1.00 0.00 O ATOM 685 CB LEU A 49 12.338 -13.491 5.579 1.00 0.00 C ATOM 686 CG LEU A 49 12.326 -13.557 4.050 1.00 0.00 C ATOM 687 CD1 LEU A 49 13.650 -13.058 3.469 1.00 0.00 C ATOM 688 CD2 LEU A 49 11.983 -14.967 3.565 1.00 0.00 C ATOM 0 H LEU A 49 11.925 -11.047 5.512 1.00 0.00 H new ATOM 0 HA LEU A 49 10.250 -13.348 5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.227 -12.944 5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.435 -14.505 5.966 1.00 0.00 H new ATOM 0 HG LEU A 49 11.543 -12.891 3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.615 -13.116 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.814 -12.024 3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.466 -13.678 3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.981 -14.986 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.726 -15.671 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.997 -15.249 3.935 1.00 0.00 H new ATOM 700 N GLU A 50 10.218 -13.979 8.158 1.00 0.00 N ATOM 701 CA GLU A 50 10.056 -14.273 9.571 1.00 0.00 C ATOM 702 C GLU A 50 11.423 -14.419 10.243 1.00 0.00 C ATOM 703 O GLU A 50 12.226 -15.264 9.848 1.00 0.00 O ATOM 704 CB GLU A 50 9.208 -15.530 9.776 1.00 0.00 C ATOM 705 CG GLU A 50 9.095 -15.879 11.262 1.00 0.00 C ATOM 706 CD GLU A 50 7.739 -15.448 11.825 1.00 0.00 C ATOM 707 OE1 GLU A 50 7.583 -14.230 12.059 1.00 0.00 O ATOM 708 OE2 GLU A 50 6.889 -16.346 12.007 1.00 0.00 O ATOM 0 H GLU A 50 9.646 -14.549 7.536 1.00 0.00 H new ATOM 0 HA GLU A 50 9.530 -13.440 10.037 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.213 -15.374 9.359 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.653 -16.365 9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.225 -16.953 11.398 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.895 -15.389 11.816 1.00 0.00 H new ATOM 715 N GLY A 51 11.646 -13.584 11.247 1.00 0.00 N ATOM 716 CA GLY A 51 12.902 -13.609 11.977 1.00 0.00 C ATOM 717 C GLY A 51 13.793 -12.432 11.576 1.00 0.00 C ATOM 718 O GLY A 51 14.623 -11.980 12.364 1.00 0.00 O ATOM 0 H GLY A 51 10.978 -12.885 11.572 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.705 -13.572 13.048 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.422 -14.547 11.781 1.00 0.00 H new ATOM 722 N SER A 52 13.593 -11.970 10.351 1.00 0.00 N ATOM 723 CA SER A 52 14.368 -10.855 9.835 1.00 0.00 C ATOM 724 C SER A 52 13.785 -9.534 10.342 1.00 0.00 C ATOM 725 O SER A 52 12.585 -9.436 10.591 1.00 0.00 O ATOM 726 CB SER A 52 14.402 -10.868 8.306 1.00 0.00 C ATOM 727 OG SER A 52 14.958 -9.668 7.774 1.00 0.00 O ATOM 0 H SER A 52 12.905 -12.348 9.700 1.00 0.00 H new ATOM 0 HA SER A 52 15.392 -10.955 10.194 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.987 -11.722 7.964 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.391 -11.000 7.922 1.00 0.00 H new ATOM 0 HG SER A 52 14.964 -9.716 6.795 1.00 0.00 H new ATOM 733 N GLU A 53 14.663 -8.551 10.479 1.00 0.00 N ATOM 734 CA GLU A 53 14.250 -7.240 10.951 1.00 0.00 C ATOM 735 C GLU A 53 14.446 -6.194 9.852 1.00 0.00 C ATOM 736 O GLU A 53 14.422 -4.994 10.121 1.00 0.00 O ATOM 737 CB GLU A 53 15.011 -6.850 12.221 1.00 0.00 C ATOM 738 CG GLU A 53 14.127 -7.008 13.460 1.00 0.00 C ATOM 739 CD GLU A 53 14.964 -7.378 14.686 1.00 0.00 C ATOM 740 OE1 GLU A 53 16.009 -8.032 14.484 1.00 0.00 O ATOM 741 OE2 GLU A 53 14.539 -6.998 15.799 1.00 0.00 O ATOM 0 H GLU A 53 15.658 -8.636 10.272 1.00 0.00 H new ATOM 0 HA GLU A 53 13.190 -7.282 11.200 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.900 -7.473 12.322 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.352 -5.818 12.142 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.590 -6.079 13.649 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.377 -7.779 13.281 1.00 0.00 H new ATOM 748 N GLU A 54 14.634 -6.687 8.637 1.00 0.00 N ATOM 749 CA GLU A 54 14.833 -5.810 7.496 1.00 0.00 C ATOM 750 C GLU A 54 13.813 -6.124 6.400 1.00 0.00 C ATOM 751 O GLU A 54 13.812 -7.220 5.843 1.00 0.00 O ATOM 752 CB GLU A 54 16.263 -5.921 6.962 1.00 0.00 C ATOM 753 CG GLU A 54 16.436 -5.099 5.683 1.00 0.00 C ATOM 754 CD GLU A 54 17.655 -4.180 5.782 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.780 -4.720 5.710 1.00 0.00 O ATOM 756 OE2 GLU A 54 17.434 -2.959 5.928 1.00 0.00 O ATOM 0 H GLU A 54 14.653 -7.683 8.418 1.00 0.00 H new ATOM 0 HA GLU A 54 14.681 -4.781 7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.966 -5.574 7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.500 -6.966 6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.549 -5.767 4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.541 -4.503 5.505 1.00 0.00 H new ATOM 763 N TRP A 55 12.967 -5.142 6.124 1.00 0.00 N ATOM 764 CA TRP A 55 11.944 -5.299 5.105 1.00 0.00 C ATOM 765 C TRP A 55 12.603 -5.104 3.738 1.00 0.00 C ATOM 766 O TRP A 55 13.134 -4.033 3.449 1.00 0.00 O ATOM 767 CB TRP A 55 10.776 -4.341 5.348 1.00 0.00 C ATOM 768 CG TRP A 55 9.889 -4.729 6.533 1.00 0.00 C ATOM 769 CD1 TRP A 55 10.140 -4.565 7.839 1.00 0.00 C ATOM 770 CD2 TRP A 55 8.591 -5.355 6.467 1.00 0.00 C ATOM 771 NE1 TRP A 55 9.102 -5.038 8.617 1.00 0.00 N ATOM 772 CE2 TRP A 55 8.130 -5.534 7.755 1.00 0.00 C ATOM 773 CE3 TRP A 55 7.830 -5.757 5.355 1.00 0.00 C ATOM 774 CZ2 TRP A 55 6.893 -6.118 8.053 1.00 0.00 C ATOM 775 CZ3 TRP A 55 6.597 -6.340 5.669 1.00 0.00 C ATOM 776 CH2 TRP A 55 6.119 -6.527 6.961 1.00 0.00 C ATOM 0 H TRP A 55 12.970 -4.234 6.589 1.00 0.00 H new ATOM 0 HA TRP A 55 11.513 -6.299 5.143 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.170 -3.339 5.515 1.00 0.00 H new ATOM 0 HB3 TRP A 55 10.163 -4.296 4.448 1.00 0.00 H new ATOM 0 HD1 TRP A 55 11.041 -4.119 8.233 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.057 -5.026 9.636 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.170 -5.626 4.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.554 -6.246 9.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.973 -6.668 4.850 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.155 -6.986 7.121 1.00 0.00 H new ATOM 787 N VAL A 56 12.547 -6.156 2.934 1.00 0.00 N ATOM 788 CA VAL A 56 13.132 -6.113 1.605 1.00 0.00 C ATOM 789 C VAL A 56 12.106 -5.551 0.619 1.00 0.00 C ATOM 790 O VAL A 56 10.917 -5.849 0.717 1.00 0.00 O ATOM 791 CB VAL A 56 13.640 -7.502 1.212 1.00 0.00 C ATOM 792 CG1 VAL A 56 14.240 -7.488 -0.195 1.00 0.00 C ATOM 793 CG2 VAL A 56 14.651 -8.025 2.234 1.00 0.00 C ATOM 0 H VAL A 56 12.106 -7.043 3.178 1.00 0.00 H new ATOM 0 HA VAL A 56 13.996 -5.449 1.589 1.00 0.00 H new ATOM 0 HB VAL A 56 12.788 -8.181 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.593 -8.487 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.479 -7.178 -0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 56 15.075 -6.788 -0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.996 -9.014 1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.501 -7.344 2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.177 -8.090 3.214 1.00 0.00 H new ATOM 803 N PRO A 57 12.617 -4.726 -0.334 1.00 0.00 N ATOM 804 CA PRO A 57 11.759 -4.119 -1.337 1.00 0.00 C ATOM 805 C PRO A 57 11.345 -5.143 -2.396 1.00 0.00 C ATOM 806 O PRO A 57 12.176 -5.606 -3.176 1.00 0.00 O ATOM 807 CB PRO A 57 12.573 -2.970 -1.909 1.00 0.00 C ATOM 808 CG PRO A 57 14.019 -3.260 -1.540 1.00 0.00 C ATOM 809 CD PRO A 57 14.020 -4.350 -0.481 1.00 0.00 C ATOM 0 HA PRO A 57 10.819 -3.755 -0.922 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.451 -2.905 -2.990 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.248 -2.016 -1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.580 -3.580 -2.418 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.504 -2.360 -1.162 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.628 -5.201 -0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.433 -3.987 0.460 1.00 0.00 H new ATOM 817 N ALA A 58 10.060 -5.467 -2.390 1.00 0.00 N ATOM 818 CA ALA A 58 9.526 -6.428 -3.340 1.00 0.00 C ATOM 819 C ALA A 58 9.648 -5.860 -4.756 1.00 0.00 C ATOM 820 O ALA A 58 10.074 -6.559 -5.674 1.00 0.00 O ATOM 821 CB ALA A 58 8.080 -6.763 -2.969 1.00 0.00 C ATOM 0 H ALA A 58 9.373 -5.081 -1.742 1.00 0.00 H new ATOM 0 HA ALA A 58 10.095 -7.357 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.679 -7.484 -3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.051 -7.189 -1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.478 -5.855 -2.994 1.00 0.00 H new ATOM 827 N ASN A 59 9.267 -4.598 -4.888 1.00 0.00 N ATOM 828 CA ASN A 59 9.329 -3.929 -6.176 1.00 0.00 C ATOM 829 C ASN A 59 10.239 -2.703 -6.066 1.00 0.00 C ATOM 830 O ASN A 59 9.963 -1.789 -5.291 1.00 0.00 O ATOM 831 CB ASN A 59 7.944 -3.452 -6.616 1.00 0.00 C ATOM 832 CG ASN A 59 7.339 -2.497 -5.584 1.00 0.00 C ATOM 833 OD1 ASN A 59 7.666 -2.525 -4.409 1.00 0.00 O ATOM 834 ND2 ASN A 59 6.443 -1.654 -6.087 1.00 0.00 N ATOM 0 H ASN A 59 8.914 -4.021 -4.124 1.00 0.00 H new ATOM 0 HA ASN A 59 9.714 -4.640 -6.907 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.018 -2.951 -7.581 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.286 -4.310 -6.752 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.983 -0.977 -5.479 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.216 -1.685 -7.081 1.00 0.00 H new ATOM 841 N LYS A 60 11.304 -2.724 -6.853 1.00 0.00 N ATOM 842 CA LYS A 60 12.256 -1.626 -6.854 1.00 0.00 C ATOM 843 C LYS A 60 11.504 -0.306 -7.039 1.00 0.00 C ATOM 844 O LYS A 60 11.734 0.651 -6.301 1.00 0.00 O ATOM 845 CB LYS A 60 13.347 -1.864 -7.900 1.00 0.00 C ATOM 846 CG LYS A 60 14.739 -1.694 -7.287 1.00 0.00 C ATOM 847 CD LYS A 60 15.830 -2.056 -8.297 1.00 0.00 C ATOM 848 CE LYS A 60 17.088 -2.561 -7.587 1.00 0.00 C ATOM 849 NZ LYS A 60 17.943 -3.321 -8.526 1.00 0.00 N ATOM 0 H LYS A 60 11.529 -3.484 -7.495 1.00 0.00 H new ATOM 0 HA LYS A 60 12.773 -1.568 -5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.247 -2.868 -8.313 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.222 -1.165 -8.727 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.872 -0.664 -6.957 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.831 -2.326 -6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.460 -2.822 -8.978 1.00 0.00 H new ATOM 0 HD3 LYS A 60 16.075 -1.183 -8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.646 -1.718 -7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 60 16.808 -3.195 -6.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 18.792 -3.657 -8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.413 -4.136 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 18.225 -2.705 -9.315 1.00 0.00 H new ATOM 863 N GLU A 61 10.622 -0.297 -8.027 1.00 0.00 N ATOM 864 CA GLU A 61 9.836 0.889 -8.318 1.00 0.00 C ATOM 865 C GLU A 61 8.377 0.672 -7.911 1.00 0.00 C ATOM 866 O GLU A 61 7.894 -0.459 -7.900 1.00 0.00 O ATOM 867 CB GLU A 61 9.942 1.269 -9.796 1.00 0.00 C ATOM 868 CG GLU A 61 9.165 0.284 -10.673 1.00 0.00 C ATOM 869 CD GLU A 61 10.109 -0.495 -11.591 1.00 0.00 C ATOM 870 OE1 GLU A 61 10.904 0.173 -12.287 1.00 0.00 O ATOM 871 OE2 GLU A 61 10.014 -1.741 -11.577 1.00 0.00 O ATOM 0 H GLU A 61 10.434 -1.093 -8.637 1.00 0.00 H new ATOM 0 HA GLU A 61 10.236 1.718 -7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.555 2.277 -9.945 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.989 1.282 -10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.610 -0.410 -10.042 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.433 0.825 -11.273 1.00 0.00 H new ATOM 878 N PRO A 62 7.699 1.803 -7.578 1.00 0.00 N ATOM 879 CA PRO A 62 6.305 1.747 -7.172 1.00 0.00 C ATOM 880 C PRO A 62 5.392 1.513 -8.377 1.00 0.00 C ATOM 881 O PRO A 62 5.562 2.140 -9.421 1.00 0.00 O ATOM 882 CB PRO A 62 6.044 3.074 -6.478 1.00 0.00 C ATOM 883 CG PRO A 62 7.158 4.006 -6.928 1.00 0.00 C ATOM 884 CD PRO A 62 8.239 3.159 -7.580 1.00 0.00 C ATOM 0 HA PRO A 62 6.095 0.914 -6.501 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.067 3.472 -6.752 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.048 2.955 -5.394 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.776 4.746 -7.632 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.564 4.555 -6.078 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.451 3.499 -8.594 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.174 3.214 -7.023 1.00 0.00 H new ATOM 892 N VAL A 63 4.441 0.609 -8.191 1.00 0.00 N ATOM 893 CA VAL A 63 3.501 0.284 -9.250 1.00 0.00 C ATOM 894 C VAL A 63 2.491 1.424 -9.397 1.00 0.00 C ATOM 895 O VAL A 63 2.607 2.450 -8.729 1.00 0.00 O ATOM 896 CB VAL A 63 2.840 -1.067 -8.967 1.00 0.00 C ATOM 897 CG1 VAL A 63 3.886 -2.179 -8.870 1.00 0.00 C ATOM 898 CG2 VAL A 63 1.987 -1.005 -7.698 1.00 0.00 C ATOM 0 H VAL A 63 4.301 0.092 -7.323 1.00 0.00 H new ATOM 0 HA VAL A 63 4.020 0.184 -10.203 1.00 0.00 H new ATOM 0 HB VAL A 63 2.180 -1.299 -9.803 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.390 -3.128 -8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.432 -2.248 -9.811 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.582 -1.954 -8.062 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.529 -1.978 -7.520 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.617 -0.740 -6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.207 -0.253 -7.820 1.00 0.00 H new ATOM 908 N GLU A 64 1.523 1.205 -10.275 1.00 0.00 N ATOM 909 CA GLU A 64 0.494 2.201 -10.518 1.00 0.00 C ATOM 910 C GLU A 64 -0.873 1.670 -10.081 1.00 0.00 C ATOM 911 O GLU A 64 -1.660 2.394 -9.474 1.00 0.00 O ATOM 912 CB GLU A 64 0.474 2.622 -11.988 1.00 0.00 C ATOM 913 CG GLU A 64 1.720 3.438 -12.342 1.00 0.00 C ATOM 914 CD GLU A 64 1.399 4.934 -12.392 1.00 0.00 C ATOM 915 OE1 GLU A 64 0.842 5.429 -11.389 1.00 0.00 O ATOM 916 OE2 GLU A 64 1.719 5.547 -13.433 1.00 0.00 O ATOM 0 H GLU A 64 1.430 0.352 -10.827 1.00 0.00 H new ATOM 0 HA GLU A 64 0.725 3.085 -9.924 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.422 1.737 -12.623 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.420 3.212 -12.189 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.501 3.254 -11.604 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.110 3.113 -13.307 1.00 0.00 H new ATOM 923 N ARG A 65 -1.114 0.409 -10.409 1.00 0.00 N ATOM 924 CA ARG A 65 -2.372 -0.228 -10.058 1.00 0.00 C ATOM 925 C ARG A 65 -2.379 -0.610 -8.577 1.00 0.00 C ATOM 926 O ARG A 65 -1.333 -0.618 -7.929 1.00 0.00 O ATOM 927 CB ARG A 65 -2.608 -1.483 -10.902 1.00 0.00 C ATOM 928 CG ARG A 65 -3.373 -1.146 -12.184 1.00 0.00 C ATOM 929 CD ARG A 65 -4.596 -2.050 -12.346 1.00 0.00 C ATOM 930 NE ARG A 65 -5.541 -1.453 -13.316 1.00 0.00 N ATOM 931 CZ ARG A 65 -5.361 -1.463 -14.644 1.00 0.00 C ATOM 932 NH1 ARG A 65 -4.270 -2.038 -15.168 1.00 0.00 N ATOM 933 NH2 ARG A 65 -6.272 -0.897 -15.448 1.00 0.00 N ATOM 0 H ARG A 65 -0.460 -0.189 -10.914 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.171 0.486 -10.256 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.652 -1.941 -11.155 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.169 -2.216 -10.322 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.688 -0.103 -12.160 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.715 -1.261 -13.045 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.286 -3.037 -12.688 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.088 -2.186 -11.383 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.382 -1.006 -12.951 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.576 -2.468 -14.556 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.133 -2.046 -16.179 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.102 -0.459 -15.049 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.135 -0.905 -16.459 1.00 0.00 H new ATOM 947 N CYS A 66 -3.570 -0.917 -8.083 1.00 0.00 N ATOM 948 CA CYS A 66 -3.727 -1.298 -6.690 1.00 0.00 C ATOM 949 C CYS A 66 -3.550 -2.814 -6.584 1.00 0.00 C ATOM 950 O CYS A 66 -4.402 -3.505 -6.027 1.00 0.00 O ATOM 951 CB CYS A 66 -5.074 -0.840 -6.127 1.00 0.00 C ATOM 952 SG CYS A 66 -6.440 -1.650 -7.035 1.00 0.00 S ATOM 0 H CYS A 66 -4.435 -0.909 -8.623 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.967 -0.801 -6.086 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.136 -1.084 -5.067 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.163 0.243 -6.210 1.00 0.00 H new ATOM 0 HG CYS A 66 -6.230 -2.932 -7.082 1.00 0.00 H new ATOM 958 N GLY A 67 -2.438 -3.287 -7.128 1.00 0.00 N ATOM 959 CA GLY A 67 -2.139 -4.709 -7.101 1.00 0.00 C ATOM 960 C GLY A 67 -0.745 -4.986 -7.668 1.00 0.00 C ATOM 961 O GLY A 67 -0.270 -4.260 -8.540 1.00 0.00 O ATOM 0 H GLY A 67 -1.734 -2.711 -7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.199 -5.078 -6.077 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.886 -5.253 -7.680 1.00 0.00 H new ATOM 965 N PHE A 68 -0.129 -6.039 -7.150 1.00 0.00 N ATOM 966 CA PHE A 68 1.201 -6.421 -7.594 1.00 0.00 C ATOM 967 C PHE A 68 1.474 -7.897 -7.299 1.00 0.00 C ATOM 968 O PHE A 68 0.689 -8.553 -6.616 1.00 0.00 O ATOM 969 CB PHE A 68 2.197 -5.564 -6.811 1.00 0.00 C ATOM 970 CG PHE A 68 3.657 -5.786 -7.210 1.00 0.00 C ATOM 971 CD1 PHE A 68 4.113 -5.325 -8.406 1.00 0.00 C ATOM 972 CD2 PHE A 68 4.500 -6.444 -6.369 1.00 0.00 C ATOM 973 CE1 PHE A 68 5.468 -5.531 -8.776 1.00 0.00 C ATOM 974 CE2 PHE A 68 5.855 -6.650 -6.739 1.00 0.00 C ATOM 975 CZ PHE A 68 6.311 -6.189 -7.935 1.00 0.00 C ATOM 0 H PHE A 68 -0.526 -6.639 -6.427 1.00 0.00 H new ATOM 0 HA PHE A 68 1.292 -6.270 -8.670 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.948 -4.513 -6.955 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.085 -5.776 -5.748 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.444 -4.802 -9.074 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.138 -6.810 -5.419 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.830 -5.165 -9.726 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.524 -7.173 -6.071 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.342 -6.345 -8.217 1.00 0.00 H new ATOM 985 N THR A 69 2.590 -8.376 -7.828 1.00 0.00 N ATOM 986 CA THR A 69 2.977 -9.763 -7.630 1.00 0.00 C ATOM 987 C THR A 69 4.460 -9.856 -7.266 1.00 0.00 C ATOM 988 O THR A 69 5.315 -9.356 -7.995 1.00 0.00 O ATOM 989 CB THR A 69 2.612 -10.541 -8.896 1.00 0.00 C ATOM 990 OG1 THR A 69 1.223 -10.819 -8.744 1.00 0.00 O ATOM 991 CG2 THR A 69 3.266 -11.924 -8.942 1.00 0.00 C ATOM 0 H THR A 69 3.239 -7.829 -8.394 1.00 0.00 H new ATOM 0 HA THR A 69 2.440 -10.208 -6.792 1.00 0.00 H new ATOM 0 HB THR A 69 2.912 -9.968 -9.773 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.903 -11.321 -9.523 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.975 -12.434 -9.860 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.350 -11.815 -8.916 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.940 -12.510 -8.083 1.00 0.00 H new ATOM 999 N VAL A 70 4.720 -10.500 -6.137 1.00 0.00 N ATOM 1000 CA VAL A 70 6.085 -10.665 -5.667 1.00 0.00 C ATOM 1001 C VAL A 70 6.643 -11.991 -6.190 1.00 0.00 C ATOM 1002 O VAL A 70 5.887 -12.922 -6.461 1.00 0.00 O ATOM 1003 CB VAL A 70 6.130 -10.557 -4.142 1.00 0.00 C ATOM 1004 CG1 VAL A 70 7.565 -10.362 -3.648 1.00 0.00 C ATOM 1005 CG2 VAL A 70 5.221 -9.432 -3.645 1.00 0.00 C ATOM 0 H VAL A 70 4.008 -10.913 -5.534 1.00 0.00 H new ATOM 0 HA VAL A 70 6.721 -9.869 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 70 5.758 -11.495 -3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.569 -10.288 -2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.174 -11.212 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.976 -9.447 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.272 -9.377 -2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.549 -8.484 -4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.194 -9.632 -3.951 1.00 0.00 H new ATOM 1015 N LYS A 71 7.961 -12.033 -6.315 1.00 0.00 N ATOM 1016 CA LYS A 71 8.629 -13.229 -6.800 1.00 0.00 C ATOM 1017 C LYS A 71 9.847 -13.519 -5.921 1.00 0.00 C ATOM 1018 O LYS A 71 10.171 -12.741 -5.026 1.00 0.00 O ATOM 1019 CB LYS A 71 8.961 -13.091 -8.287 1.00 0.00 C ATOM 1020 CG LYS A 71 9.975 -11.969 -8.520 1.00 0.00 C ATOM 1021 CD LYS A 71 9.767 -11.318 -9.889 1.00 0.00 C ATOM 1022 CE LYS A 71 8.417 -10.600 -9.955 1.00 0.00 C ATOM 1023 NZ LYS A 71 8.583 -9.235 -10.501 1.00 0.00 N ATOM 0 H LYS A 71 8.585 -11.258 -6.089 1.00 0.00 H new ATOM 0 HA LYS A 71 7.968 -14.093 -6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.362 -14.032 -8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.050 -12.886 -8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.877 -11.217 -7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.987 -12.369 -8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.571 -10.608 -10.084 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.817 -12.078 -10.669 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.727 -11.167 -10.580 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.976 -10.549 -8.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.658 -8.761 -10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.225 -8.692 -9.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.983 -9.291 -11.459 1.00 0.00 H new ATOM 1037 N ASP A 72 10.490 -14.642 -6.208 1.00 0.00 N ATOM 1038 CA ASP A 72 11.666 -15.045 -5.455 1.00 0.00 C ATOM 1039 C ASP A 72 11.317 -15.105 -3.967 1.00 0.00 C ATOM 1040 O ASP A 72 11.612 -14.174 -3.219 1.00 0.00 O ATOM 1041 CB ASP A 72 12.805 -14.040 -5.634 1.00 0.00 C ATOM 1042 CG ASP A 72 13.748 -14.332 -6.803 1.00 0.00 C ATOM 1043 OD1 ASP A 72 13.325 -14.074 -7.951 1.00 0.00 O ATOM 1044 OD2 ASP A 72 14.869 -14.807 -6.523 1.00 0.00 O ATOM 0 H ASP A 72 10.219 -15.285 -6.952 1.00 0.00 H new ATOM 0 HA ASP A 72 11.985 -16.020 -5.823 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.375 -13.048 -5.773 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.390 -14.009 -4.715 1.00 0.00 H new ATOM 1049 N LEU A 73 10.694 -16.209 -3.581 1.00 0.00 N ATOM 1050 CA LEU A 73 10.302 -16.402 -2.196 1.00 0.00 C ATOM 1051 C LEU A 73 10.499 -17.871 -1.815 1.00 0.00 C ATOM 1052 O LEU A 73 10.304 -18.762 -2.640 1.00 0.00 O ATOM 1053 CB LEU A 73 8.878 -15.893 -1.966 1.00 0.00 C ATOM 1054 CG LEU A 73 8.550 -14.524 -2.565 1.00 0.00 C ATOM 1055 CD1 LEU A 73 7.038 -14.330 -2.694 1.00 0.00 C ATOM 1056 CD2 LEU A 73 9.206 -13.401 -1.760 1.00 0.00 C ATOM 0 H LEU A 73 10.451 -16.979 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 73 10.937 -15.812 -1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.181 -16.624 -2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.698 -15.850 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 73 8.967 -14.483 -3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.832 -13.349 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.626 -15.103 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.577 -14.400 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.957 -12.439 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.842 -13.429 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.288 -13.534 -1.765 1.00 0.00 H new ATOM 1068 N PRO A 74 10.894 -18.083 -0.531 1.00 0.00 N ATOM 1069 CA PRO A 74 11.120 -19.429 -0.030 1.00 0.00 C ATOM 1070 C PRO A 74 9.794 -20.150 0.222 1.00 0.00 C ATOM 1071 O PRO A 74 8.979 -19.696 1.024 1.00 0.00 O ATOM 1072 CB PRO A 74 11.945 -19.245 1.233 1.00 0.00 C ATOM 1073 CG PRO A 74 11.758 -17.795 1.646 1.00 0.00 C ATOM 1074 CD PRO A 74 11.135 -17.053 0.475 1.00 0.00 C ATOM 0 HA PRO A 74 11.646 -20.061 -0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.611 -19.921 2.020 1.00 0.00 H new ATOM 0 HB3 PRO A 74 12.996 -19.466 1.048 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.117 -17.728 2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.715 -17.348 1.915 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.208 -16.560 0.767 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.802 -16.279 0.097 1.00 0.00 H new ATOM 1082 N THR A 75 9.619 -21.261 -0.479 1.00 0.00 N ATOM 1083 CA THR A 75 8.406 -22.049 -0.341 1.00 0.00 C ATOM 1084 C THR A 75 8.271 -22.574 1.089 1.00 0.00 C ATOM 1085 O THR A 75 9.150 -23.278 1.582 1.00 0.00 O ATOM 1086 CB THR A 75 8.441 -23.158 -1.395 1.00 0.00 C ATOM 1087 OG1 THR A 75 8.331 -22.463 -2.634 1.00 0.00 O ATOM 1088 CG2 THR A 75 7.194 -24.044 -1.353 1.00 0.00 C ATOM 0 H THR A 75 10.297 -21.634 -1.144 1.00 0.00 H new ATOM 0 HA THR A 75 7.518 -21.442 -0.516 1.00 0.00 H new ATOM 0 HB THR A 75 9.329 -23.773 -1.246 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.649 -21.764 -2.557 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.269 -24.814 -2.120 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.115 -24.515 -0.373 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.309 -23.435 -1.536 1.00 0.00 H new ATOM 1096 N GLY A 76 7.161 -22.211 1.716 1.00 0.00 N ATOM 1097 CA GLY A 76 6.899 -22.636 3.081 1.00 0.00 C ATOM 1098 C GLY A 76 7.625 -21.738 4.084 1.00 0.00 C ATOM 1099 O GLY A 76 8.250 -22.229 5.024 1.00 0.00 O ATOM 0 H GLY A 76 6.433 -21.627 1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.827 -22.610 3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.222 -23.669 3.212 1.00 0.00 H new ATOM 1103 N ALA A 77 7.520 -20.438 3.851 1.00 0.00 N ATOM 1104 CA ALA A 77 8.159 -19.467 4.723 1.00 0.00 C ATOM 1105 C ALA A 77 7.155 -18.370 5.080 1.00 0.00 C ATOM 1106 O ALA A 77 6.492 -17.820 4.201 1.00 0.00 O ATOM 1107 CB ALA A 77 9.410 -18.913 4.039 1.00 0.00 C ATOM 0 H ALA A 77 7.002 -20.034 3.071 1.00 0.00 H new ATOM 0 HA ALA A 77 8.477 -19.937 5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.890 -18.185 4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.104 -19.728 3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.129 -18.431 3.103 1.00 0.00 H new ATOM 1113 N ARG A 78 7.073 -18.083 6.371 1.00 0.00 N ATOM 1114 CA ARG A 78 6.161 -17.061 6.854 1.00 0.00 C ATOM 1115 C ARG A 78 6.711 -15.668 6.543 1.00 0.00 C ATOM 1116 O ARG A 78 7.551 -15.150 7.277 1.00 0.00 O ATOM 1117 CB ARG A 78 5.940 -17.189 8.363 1.00 0.00 C ATOM 1118 CG ARG A 78 4.816 -18.181 8.671 1.00 0.00 C ATOM 1119 CD ARG A 78 5.350 -19.397 9.430 1.00 0.00 C ATOM 1120 NE ARG A 78 4.815 -19.408 10.809 1.00 0.00 N ATOM 1121 CZ ARG A 78 3.601 -19.869 11.141 1.00 0.00 C ATOM 1122 NH1 ARG A 78 2.790 -20.360 10.195 1.00 0.00 N ATOM 1123 NH2 ARG A 78 3.200 -19.839 12.419 1.00 0.00 N ATOM 0 H ARG A 78 7.624 -18.541 7.097 1.00 0.00 H new ATOM 0 HA ARG A 78 5.207 -17.201 6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.862 -17.518 8.842 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.694 -16.213 8.782 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.044 -17.689 9.263 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.347 -18.505 7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.064 -20.313 8.913 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.439 -19.371 9.454 1.00 0.00 H new ATOM 0 HE ARG A 78 5.407 -19.042 11.554 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.096 -20.383 9.222 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.866 -20.711 10.447 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.818 -19.465 13.139 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.276 -20.190 12.672 1.00 0.00 H new ATOM 1137 N ILE A 79 6.215 -15.101 5.453 1.00 0.00 N ATOM 1138 CA ILE A 79 6.646 -13.778 5.035 1.00 0.00 C ATOM 1139 C ILE A 79 5.478 -12.799 5.172 1.00 0.00 C ATOM 1140 O ILE A 79 4.345 -13.126 4.826 1.00 0.00 O ATOM 1141 CB ILE A 79 7.244 -13.829 3.628 1.00 0.00 C ATOM 1142 CG1 ILE A 79 8.401 -14.828 3.560 1.00 0.00 C ATOM 1143 CG2 ILE A 79 7.663 -12.434 3.160 1.00 0.00 C ATOM 1144 CD1 ILE A 79 8.845 -15.054 2.113 1.00 0.00 C ATOM 0 H ILE A 79 5.518 -15.534 4.847 1.00 0.00 H new ATOM 0 HA ILE A 79 7.444 -13.415 5.682 1.00 0.00 H new ATOM 0 HB ILE A 79 6.474 -14.181 2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.241 -14.458 4.148 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.095 -15.776 4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.085 -12.498 2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.793 -11.778 3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.411 -12.030 3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.668 -15.768 2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.010 -15.447 1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.174 -14.109 1.681 1.00 0.00 H new ATOM 1156 N LEU A 80 5.796 -11.616 5.679 1.00 0.00 N ATOM 1157 CA LEU A 80 4.787 -10.587 5.866 1.00 0.00 C ATOM 1158 C LEU A 80 4.933 -9.531 4.768 1.00 0.00 C ATOM 1159 O LEU A 80 6.015 -8.981 4.571 1.00 0.00 O ATOM 1160 CB LEU A 80 4.862 -10.015 7.283 1.00 0.00 C ATOM 1161 CG LEU A 80 4.173 -10.837 8.375 1.00 0.00 C ATOM 1162 CD1 LEU A 80 4.645 -10.406 9.765 1.00 0.00 C ATOM 1163 CD2 LEU A 80 2.651 -10.765 8.238 1.00 0.00 C ATOM 0 H LEU A 80 6.737 -11.348 5.966 1.00 0.00 H new ATOM 0 HA LEU A 80 3.787 -11.011 5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.912 -9.898 7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.422 -9.018 7.275 1.00 0.00 H new ATOM 0 HG LEU A 80 4.458 -11.881 8.248 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.140 -11.005 10.523 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.722 -10.552 9.845 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.409 -9.353 9.919 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.186 -11.358 9.026 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.327 -9.728 8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.354 -11.158 7.266 1.00 0.00 H new ATOM 1175 N PHE A 81 3.827 -9.280 4.083 1.00 0.00 N ATOM 1176 CA PHE A 81 3.818 -8.299 3.011 1.00 0.00 C ATOM 1177 C PHE A 81 3.173 -6.990 3.470 1.00 0.00 C ATOM 1178 O PHE A 81 2.087 -6.997 4.047 1.00 0.00 O ATOM 1179 CB PHE A 81 2.985 -8.891 1.871 1.00 0.00 C ATOM 1180 CG PHE A 81 3.570 -10.172 1.274 1.00 0.00 C ATOM 1181 CD1 PHE A 81 4.867 -10.202 0.866 1.00 0.00 C ATOM 1182 CD2 PHE A 81 2.793 -11.281 1.151 1.00 0.00 C ATOM 1183 CE1 PHE A 81 5.410 -11.391 0.311 1.00 0.00 C ATOM 1184 CE2 PHE A 81 3.335 -12.471 0.596 1.00 0.00 C ATOM 1185 CZ PHE A 81 4.632 -12.500 0.188 1.00 0.00 C ATOM 0 H PHE A 81 2.931 -9.739 4.249 1.00 0.00 H new ATOM 0 HA PHE A 81 4.839 -8.080 2.699 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.980 -9.100 2.239 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.887 -8.146 1.081 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.484 -9.321 0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.763 -11.257 1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.440 -11.415 -0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.718 -13.352 0.498 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.045 -13.404 -0.234 1.00 0.00 H new ATOM 1195 N ARG A 82 3.871 -5.897 3.198 1.00 0.00 N ATOM 1196 CA ARG A 82 3.381 -4.582 3.577 1.00 0.00 C ATOM 1197 C ARG A 82 3.457 -3.625 2.386 1.00 0.00 C ATOM 1198 O ARG A 82 4.463 -3.586 1.679 1.00 0.00 O ATOM 1199 CB ARG A 82 4.192 -4.006 4.739 1.00 0.00 C ATOM 1200 CG ARG A 82 5.574 -3.547 4.269 1.00 0.00 C ATOM 1201 CD ARG A 82 6.385 -2.971 5.432 1.00 0.00 C ATOM 1202 NE ARG A 82 7.771 -2.695 4.993 1.00 0.00 N ATOM 1203 CZ ARG A 82 8.134 -1.618 4.283 1.00 0.00 C ATOM 1204 NH1 ARG A 82 7.215 -0.711 3.925 1.00 0.00 N ATOM 1205 NH2 ARG A 82 9.415 -1.449 3.929 1.00 0.00 N ATOM 0 H ARG A 82 4.772 -5.895 2.720 1.00 0.00 H new ATOM 0 HA ARG A 82 2.344 -4.692 3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.656 -3.165 5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.301 -4.759 5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.110 -4.388 3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.465 -2.794 3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.919 -2.054 5.792 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.392 -3.674 6.265 1.00 0.00 H new ATOM 0 HE ARG A 82 8.495 -3.367 5.247 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.239 -0.840 4.193 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.491 0.109 3.385 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.114 -2.140 4.200 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.691 -0.629 3.389 1.00 0.00 H new ATOM 1219 N VAL A 83 2.380 -2.875 2.201 1.00 0.00 N ATOM 1220 CA VAL A 83 2.312 -1.920 1.108 1.00 0.00 C ATOM 1221 C VAL A 83 2.316 -0.500 1.676 1.00 0.00 C ATOM 1222 O VAL A 83 1.638 -0.221 2.664 1.00 0.00 O ATOM 1223 CB VAL A 83 1.090 -2.211 0.234 1.00 0.00 C ATOM 1224 CG1 VAL A 83 0.581 -0.934 -0.438 1.00 0.00 C ATOM 1225 CG2 VAL A 83 1.403 -3.290 -0.804 1.00 0.00 C ATOM 0 H VAL A 83 1.548 -2.910 2.790 1.00 0.00 H new ATOM 0 HA VAL A 83 3.186 -2.015 0.463 1.00 0.00 H new ATOM 0 HB VAL A 83 0.297 -2.588 0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.288 -1.168 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.300 -0.208 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.368 -0.515 -1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.518 -3.478 -1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.218 -2.953 -1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.696 -4.209 -0.296 1.00 0.00 H new ATOM 1235 N VAL A 84 3.088 0.361 1.029 1.00 0.00 N ATOM 1236 CA VAL A 84 3.190 1.745 1.458 1.00 0.00 C ATOM 1237 C VAL A 84 3.052 2.663 0.241 1.00 0.00 C ATOM 1238 O VAL A 84 3.668 2.421 -0.796 1.00 0.00 O ATOM 1239 CB VAL A 84 4.496 1.961 2.225 1.00 0.00 C ATOM 1240 CG1 VAL A 84 4.351 1.530 3.686 1.00 0.00 C ATOM 1241 CG2 VAL A 84 5.656 1.228 1.549 1.00 0.00 C ATOM 0 H VAL A 84 3.649 0.126 0.210 1.00 0.00 H new ATOM 0 HA VAL A 84 2.381 1.992 2.145 1.00 0.00 H new ATOM 0 HB VAL A 84 4.721 3.027 2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.293 1.694 4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.565 2.116 4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.091 0.472 3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.572 1.398 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.442 0.160 1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.781 1.603 0.533 1.00 0.00 H new ATOM 1251 N GLY A 85 2.240 3.696 0.408 1.00 0.00 N ATOM 1252 CA GLY A 85 2.014 4.651 -0.663 1.00 0.00 C ATOM 1253 C GLY A 85 3.096 5.733 -0.671 1.00 0.00 C ATOM 1254 O GLY A 85 3.197 6.522 0.267 1.00 0.00 O ATOM 0 H GLY A 85 1.730 3.893 1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.006 4.132 -1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.034 5.113 -0.542 1.00 0.00 H new ATOM 1258 N VAL A 86 3.878 5.734 -1.741 1.00 0.00 N ATOM 1259 CA VAL A 86 4.949 6.706 -1.883 1.00 0.00 C ATOM 1260 C VAL A 86 4.389 7.988 -2.502 1.00 0.00 C ATOM 1261 O VAL A 86 3.323 7.972 -3.115 1.00 0.00 O ATOM 1262 CB VAL A 86 6.098 6.103 -2.694 1.00 0.00 C ATOM 1263 CG1 VAL A 86 6.785 4.977 -1.918 1.00 0.00 C ATOM 1264 CG2 VAL A 86 5.609 5.611 -4.057 1.00 0.00 C ATOM 0 H VAL A 86 3.791 5.078 -2.517 1.00 0.00 H new ATOM 0 HA VAL A 86 5.359 6.968 -0.908 1.00 0.00 H new ATOM 0 HB VAL A 86 6.834 6.888 -2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.598 4.566 -2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.186 5.371 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.062 4.191 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.446 5.187 -4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.844 4.848 -3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.188 6.447 -4.616 1.00 0.00 H new ATOM 1274 N ASN A 87 5.134 9.069 -2.321 1.00 0.00 N ATOM 1275 CA ASN A 87 4.726 10.357 -2.854 1.00 0.00 C ATOM 1276 C ASN A 87 5.742 11.423 -2.437 1.00 0.00 C ATOM 1277 O ASN A 87 6.652 11.146 -1.658 1.00 0.00 O ATOM 1278 CB ASN A 87 3.357 10.770 -2.309 1.00 0.00 C ATOM 1279 CG ASN A 87 3.254 10.482 -0.810 1.00 0.00 C ATOM 1280 OD1 ASN A 87 4.151 9.928 -0.195 1.00 0.00 O ATOM 1281 ND2 ASN A 87 2.114 10.887 -0.258 1.00 0.00 N ATOM 0 H ASN A 87 6.018 9.079 -1.812 1.00 0.00 H new ATOM 0 HA ASN A 87 4.671 10.270 -3.939 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.195 11.832 -2.491 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.572 10.232 -2.841 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.949 10.740 0.738 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.404 11.345 -0.830 1.00 0.00 H new ATOM 1288 N ILE A 88 5.552 12.619 -2.975 1.00 0.00 N ATOM 1289 CA ILE A 88 6.440 13.727 -2.668 1.00 0.00 C ATOM 1290 C ILE A 88 6.612 13.832 -1.151 1.00 0.00 C ATOM 1291 O ILE A 88 7.718 14.056 -0.662 1.00 0.00 O ATOM 1292 CB ILE A 88 5.936 15.015 -3.321 1.00 0.00 C ATOM 1293 CG1 ILE A 88 7.040 16.073 -3.371 1.00 0.00 C ATOM 1294 CG2 ILE A 88 4.679 15.531 -2.618 1.00 0.00 C ATOM 1295 CD1 ILE A 88 7.133 16.703 -4.763 1.00 0.00 C ATOM 0 H ILE A 88 4.796 12.845 -3.622 1.00 0.00 H new ATOM 0 HA ILE A 88 7.429 13.550 -3.090 1.00 0.00 H new ATOM 0 HB ILE A 88 5.659 14.790 -4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.841 16.847 -2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.996 15.619 -3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.342 16.447 -3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.893 14.778 -2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.905 15.736 -1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.925 17.452 -4.771 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.356 15.930 -5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.184 17.177 -5.012 1.00 0.00 H new ATOM 1307 N ALA A 89 5.501 13.667 -0.449 1.00 0.00 N ATOM 1308 CA ALA A 89 5.514 13.741 1.002 1.00 0.00 C ATOM 1309 C ALA A 89 6.442 12.658 1.555 1.00 0.00 C ATOM 1310 O ALA A 89 7.026 12.823 2.625 1.00 0.00 O ATOM 1311 CB ALA A 89 4.085 13.611 1.533 1.00 0.00 C ATOM 0 H ALA A 89 4.585 13.482 -0.858 1.00 0.00 H new ATOM 0 HA ALA A 89 5.898 14.706 1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.095 13.667 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.474 14.420 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.667 12.653 1.222 1.00 0.00 H new ATOM 1317 N GLY A 90 6.551 11.574 0.800 1.00 0.00 N ATOM 1318 CA GLY A 90 7.399 10.465 1.202 1.00 0.00 C ATOM 1319 C GLY A 90 6.643 9.137 1.112 1.00 0.00 C ATOM 1320 O GLY A 90 6.315 8.679 0.018 1.00 0.00 O ATOM 0 H GLY A 90 6.066 11.441 -0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.283 10.429 0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.748 10.621 2.223 1.00 0.00 H new ATOM 1324 N ARG A 91 6.390 8.557 2.276 1.00 0.00 N ATOM 1325 CA ARG A 91 5.679 7.291 2.342 1.00 0.00 C ATOM 1326 C ARG A 91 4.534 7.378 3.352 1.00 0.00 C ATOM 1327 O ARG A 91 4.484 8.303 4.162 1.00 0.00 O ATOM 1328 CB ARG A 91 6.619 6.152 2.743 1.00 0.00 C ATOM 1329 CG ARG A 91 7.518 6.568 3.909 1.00 0.00 C ATOM 1330 CD ARG A 91 8.187 5.349 4.548 1.00 0.00 C ATOM 1331 NE ARG A 91 7.848 5.282 5.987 1.00 0.00 N ATOM 1332 CZ ARG A 91 7.934 4.169 6.728 1.00 0.00 C ATOM 1333 NH1 ARG A 91 8.349 3.024 6.171 1.00 0.00 N ATOM 1334 NH2 ARG A 91 7.605 4.202 8.027 1.00 0.00 N ATOM 0 H ARG A 91 6.664 8.940 3.181 1.00 0.00 H new ATOM 0 HA ARG A 91 5.278 7.083 1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.035 5.276 3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.234 5.865 1.890 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.280 7.262 3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.928 7.097 4.657 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.859 4.439 4.046 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.268 5.410 4.423 1.00 0.00 H new ATOM 0 HE ARG A 91 7.529 6.137 6.443 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.600 2.999 5.183 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.414 2.177 6.735 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.289 5.074 8.451 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.670 3.355 8.591 1.00 0.00 H new ATOM 1348 N SER A 92 3.642 6.401 3.273 1.00 0.00 N ATOM 1349 CA SER A 92 2.500 6.356 4.170 1.00 0.00 C ATOM 1350 C SER A 92 2.556 5.087 5.024 1.00 0.00 C ATOM 1351 O SER A 92 3.318 4.168 4.727 1.00 0.00 O ATOM 1352 CB SER A 92 1.185 6.414 3.391 1.00 0.00 C ATOM 1353 OG SER A 92 1.077 5.354 2.445 1.00 0.00 O ATOM 0 H SER A 92 3.687 5.635 2.601 1.00 0.00 H new ATOM 0 HA SER A 92 2.543 7.228 4.822 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.348 6.364 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.112 7.370 2.873 1.00 0.00 H new ATOM 0 HG SER A 92 0.223 5.426 1.970 1.00 0.00 H new ATOM 1359 N GLU A 93 1.739 5.078 6.067 1.00 0.00 N ATOM 1360 CA GLU A 93 1.686 3.937 6.965 1.00 0.00 C ATOM 1361 C GLU A 93 1.591 2.636 6.166 1.00 0.00 C ATOM 1362 O GLU A 93 0.824 2.546 5.209 1.00 0.00 O ATOM 1363 CB GLU A 93 0.519 4.065 7.946 1.00 0.00 C ATOM 1364 CG GLU A 93 1.023 4.229 9.381 1.00 0.00 C ATOM 1365 CD GLU A 93 1.493 5.663 9.636 1.00 0.00 C ATOM 1366 OE1 GLU A 93 2.270 6.164 8.795 1.00 0.00 O ATOM 1367 OE2 GLU A 93 1.064 6.226 10.666 1.00 0.00 O ATOM 0 H GLU A 93 1.109 5.842 6.310 1.00 0.00 H new ATOM 0 HA GLU A 93 2.607 3.915 7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.097 4.922 7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -0.116 3.181 7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.228 3.973 10.081 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.844 3.535 9.564 1.00 0.00 H new ATOM 1374 N PRO A 94 2.402 1.634 6.600 1.00 0.00 N ATOM 1375 CA PRO A 94 2.416 0.342 5.936 1.00 0.00 C ATOM 1376 C PRO A 94 1.168 -0.470 6.288 1.00 0.00 C ATOM 1377 O PRO A 94 0.840 -0.633 7.462 1.00 0.00 O ATOM 1378 CB PRO A 94 3.705 -0.322 6.394 1.00 0.00 C ATOM 1379 CG PRO A 94 4.132 0.420 7.650 1.00 0.00 C ATOM 1380 CD PRO A 94 3.324 1.705 7.730 1.00 0.00 C ATOM 0 HA PRO A 94 2.391 0.428 4.850 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.547 -1.381 6.600 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.473 -0.258 5.623 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.960 -0.195 8.534 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.199 0.641 7.619 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.787 1.777 8.676 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.967 2.582 7.662 1.00 0.00 H new ATOM 1388 N ALA A 95 0.505 -0.957 5.249 1.00 0.00 N ATOM 1389 CA ALA A 95 -0.700 -1.747 5.434 1.00 0.00 C ATOM 1390 C ALA A 95 -0.316 -3.214 5.638 1.00 0.00 C ATOM 1391 O ALA A 95 -0.782 -4.089 4.910 1.00 0.00 O ATOM 1392 CB ALA A 95 -1.629 -1.549 4.235 1.00 0.00 C ATOM 0 H ALA A 95 0.780 -0.820 4.276 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.240 -1.421 6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.533 -2.142 4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.895 -0.495 4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.122 -1.869 3.325 1.00 0.00 H new ATOM 1398 N THR A 96 0.530 -3.438 6.633 1.00 0.00 N ATOM 1399 CA THR A 96 0.982 -4.784 6.943 1.00 0.00 C ATOM 1400 C THR A 96 -0.189 -5.767 6.880 1.00 0.00 C ATOM 1401 O THR A 96 -1.311 -5.427 7.251 1.00 0.00 O ATOM 1402 CB THR A 96 1.673 -4.749 8.307 1.00 0.00 C ATOM 1403 OG1 THR A 96 2.390 -3.518 8.302 1.00 0.00 O ATOM 1404 CG2 THR A 96 2.762 -5.814 8.440 1.00 0.00 C ATOM 0 H THR A 96 0.914 -2.710 7.235 1.00 0.00 H new ATOM 0 HA THR A 96 1.703 -5.138 6.207 1.00 0.00 H new ATOM 0 HB THR A 96 0.931 -4.890 9.093 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.867 -3.414 9.152 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.220 -5.745 9.427 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.321 -6.803 8.313 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.522 -5.655 7.675 1.00 0.00 H new ATOM 1412 N LEU A 97 0.113 -6.967 6.406 1.00 0.00 N ATOM 1413 CA LEU A 97 -0.900 -8.002 6.289 1.00 0.00 C ATOM 1414 C LEU A 97 -1.290 -8.488 7.687 1.00 0.00 C ATOM 1415 O LEU A 97 -0.438 -8.611 8.565 1.00 0.00 O ATOM 1416 CB LEU A 97 -0.420 -9.120 5.361 1.00 0.00 C ATOM 1417 CG LEU A 97 -0.654 -8.897 3.866 1.00 0.00 C ATOM 1418 CD1 LEU A 97 -0.072 -10.048 3.042 1.00 0.00 C ATOM 1419 CD2 LEU A 97 -2.139 -8.675 3.571 1.00 0.00 C ATOM 0 H LEU A 97 1.045 -7.245 6.099 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.802 -7.601 5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.648 -9.267 5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.917 -10.045 5.652 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.127 -7.990 3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.252 -9.865 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.001 -10.117 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.550 -10.983 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.278 -8.519 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.707 -9.550 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.491 -7.798 4.114 1.00 0.00 H new ATOM 1431 N LEU A 98 -2.578 -8.751 7.849 1.00 0.00 N ATOM 1432 CA LEU A 98 -3.091 -9.221 9.125 1.00 0.00 C ATOM 1433 C LEU A 98 -2.420 -10.549 9.481 1.00 0.00 C ATOM 1434 O LEU A 98 -2.163 -10.823 10.652 1.00 0.00 O ATOM 1435 CB LEU A 98 -4.619 -9.292 9.094 1.00 0.00 C ATOM 1436 CG LEU A 98 -5.348 -7.971 8.840 1.00 0.00 C ATOM 1437 CD1 LEU A 98 -6.264 -8.076 7.619 1.00 0.00 C ATOM 1438 CD2 LEU A 98 -6.106 -7.514 10.088 1.00 0.00 C ATOM 0 H LEU A 98 -3.282 -8.648 7.118 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.844 -8.516 9.919 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.914 -10.001 8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.963 -9.697 10.046 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.603 -7.207 8.618 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.770 -7.124 7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.670 -8.322 6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.005 -8.857 7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.615 -6.573 9.880 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.840 -8.270 10.365 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.403 -7.373 10.909 1.00 0.00 H new ATOM 1450 N GLN A 99 -2.157 -11.338 8.450 1.00 0.00 N ATOM 1451 CA GLN A 99 -1.521 -12.631 8.640 1.00 0.00 C ATOM 1452 C GLN A 99 -0.416 -12.836 7.603 1.00 0.00 C ATOM 1453 O GLN A 99 -0.487 -12.297 6.499 1.00 0.00 O ATOM 1454 CB GLN A 99 -2.549 -13.762 8.577 1.00 0.00 C ATOM 1455 CG GLN A 99 -3.428 -13.775 9.830 1.00 0.00 C ATOM 1456 CD GLN A 99 -2.867 -14.733 10.883 1.00 0.00 C ATOM 1457 OE1 GLN A 99 -2.165 -15.685 10.582 1.00 0.00 O ATOM 1458 NE2 GLN A 99 -3.214 -14.430 12.130 1.00 0.00 N ATOM 0 H GLN A 99 -2.373 -11.107 7.480 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.069 -12.650 9.632 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.173 -13.642 7.692 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.037 -14.719 8.478 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.491 -12.769 10.245 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.442 -14.074 9.564 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.804 -13.618 12.312 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -2.890 -15.009 12.905 1.00 0.00 H new ATOM 1467 N PRO A 100 0.607 -13.638 8.003 1.00 0.00 N ATOM 1468 CA PRO A 100 1.726 -13.921 7.121 1.00 0.00 C ATOM 1469 C PRO A 100 1.326 -14.918 6.031 1.00 0.00 C ATOM 1470 O PRO A 100 0.203 -15.419 6.025 1.00 0.00 O ATOM 1471 CB PRO A 100 2.823 -14.446 8.033 1.00 0.00 C ATOM 1472 CG PRO A 100 2.129 -14.875 9.315 1.00 0.00 C ATOM 1473 CD PRO A 100 0.725 -14.293 9.303 1.00 0.00 C ATOM 0 HA PRO A 100 2.067 -13.040 6.577 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.346 -15.284 7.573 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.568 -13.676 8.231 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.091 -15.962 9.383 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.682 -14.521 10.185 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.028 -15.072 9.424 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.583 -13.584 10.118 1.00 0.00 H new ATOM 1481 N VAL A 101 2.268 -15.175 5.135 1.00 0.00 N ATOM 1482 CA VAL A 101 2.028 -16.103 4.043 1.00 0.00 C ATOM 1483 C VAL A 101 3.053 -17.237 4.108 1.00 0.00 C ATOM 1484 O VAL A 101 4.244 -16.992 4.293 1.00 0.00 O ATOM 1485 CB VAL A 101 2.047 -15.356 2.708 1.00 0.00 C ATOM 1486 CG1 VAL A 101 2.115 -16.334 1.533 1.00 0.00 C ATOM 1487 CG2 VAL A 101 0.837 -14.429 2.581 1.00 0.00 C ATOM 0 H VAL A 101 3.198 -14.757 5.143 1.00 0.00 H new ATOM 0 HA VAL A 101 1.039 -16.553 4.135 1.00 0.00 H new ATOM 0 HB VAL A 101 2.945 -14.739 2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.127 -15.777 0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.022 -16.933 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.244 -16.989 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.875 -13.910 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.079 -15.017 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.852 -13.699 3.390 1.00 0.00 H new ATOM 1497 N THR A 102 2.552 -18.454 3.953 1.00 0.00 N ATOM 1498 CA THR A 102 3.409 -19.626 3.992 1.00 0.00 C ATOM 1499 C THR A 102 4.137 -19.800 2.657 1.00 0.00 C ATOM 1500 O THR A 102 5.170 -20.465 2.591 1.00 0.00 O ATOM 1501 CB THR A 102 2.546 -20.831 4.374 1.00 0.00 C ATOM 1502 OG1 THR A 102 2.811 -21.021 5.761 1.00 0.00 O ATOM 1503 CG2 THR A 102 3.028 -22.128 3.721 1.00 0.00 C ATOM 0 H THR A 102 1.563 -18.653 3.800 1.00 0.00 H new ATOM 0 HA THR A 102 4.192 -19.517 4.742 1.00 0.00 H new ATOM 0 HB THR A 102 1.512 -20.643 4.085 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.290 -21.782 6.092 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.381 -22.951 4.025 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.996 -22.023 2.637 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.051 -22.335 4.035 1.00 0.00 H new ATOM 1511 N ILE A 103 3.569 -19.190 1.627 1.00 0.00 N ATOM 1512 CA ILE A 103 4.151 -19.269 0.298 1.00 0.00 C ATOM 1513 C ILE A 103 4.103 -20.718 -0.190 1.00 0.00 C ATOM 1514 O ILE A 103 4.933 -21.537 0.203 1.00 0.00 O ATOM 1515 CB ILE A 103 5.556 -18.664 0.291 1.00 0.00 C ATOM 1516 CG1 ILE A 103 5.536 -17.224 0.810 1.00 0.00 C ATOM 1517 CG2 ILE A 103 6.190 -18.763 -1.098 1.00 0.00 C ATOM 1518 CD1 ILE A 103 4.810 -16.299 -0.168 1.00 0.00 C ATOM 0 H ILE A 103 2.712 -18.639 1.686 1.00 0.00 H new ATOM 0 HA ILE A 103 3.570 -18.675 -0.408 1.00 0.00 H new ATOM 0 HB ILE A 103 6.180 -19.244 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.043 -17.191 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.557 -16.873 0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.188 -18.326 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.260 -19.810 -1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.575 -18.224 -1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.810 -15.282 0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.320 -16.316 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.782 -16.639 -0.295 1.00 0.00 H new ATOM 1530 N ARG A 104 3.125 -20.991 -1.041 1.00 0.00 N ATOM 1531 CA ARG A 104 2.958 -22.327 -1.587 1.00 0.00 C ATOM 1532 C ARG A 104 1.777 -22.360 -2.559 1.00 0.00 C ATOM 1533 O ARG A 104 0.785 -21.660 -2.360 1.00 0.00 O ATOM 1534 CB ARG A 104 2.723 -23.351 -0.474 1.00 0.00 C ATOM 1535 CG ARG A 104 3.976 -24.196 -0.233 1.00 0.00 C ATOM 1536 CD ARG A 104 3.604 -25.617 0.194 1.00 0.00 C ATOM 1537 NE ARG A 104 4.816 -26.349 0.626 1.00 0.00 N ATOM 1538 CZ ARG A 104 4.800 -27.575 1.166 1.00 0.00 C ATOM 1539 NH1 ARG A 104 3.636 -28.215 1.343 1.00 0.00 N ATOM 1540 NH2 ARG A 104 5.949 -28.162 1.528 1.00 0.00 N ATOM 0 H ARG A 104 2.440 -20.309 -1.366 1.00 0.00 H new ATOM 0 HA ARG A 104 3.875 -22.586 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.445 -22.836 0.446 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.889 -23.999 -0.742 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.576 -24.231 -1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.591 -23.730 0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.880 -25.583 1.008 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.128 -26.142 -0.634 1.00 0.00 H new ATOM 0 HE ARG A 104 5.720 -25.891 0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.761 -27.769 1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.625 -29.148 1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.835 -27.675 1.392 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.937 -29.095 1.939 1.00 0.00 H new ATOM 1554 N GLU A 105 1.922 -23.180 -3.589 1.00 0.00 N ATOM 1555 CA GLU A 105 0.880 -23.313 -4.592 1.00 0.00 C ATOM 1556 C GLU A 105 -0.022 -24.504 -4.266 1.00 0.00 C ATOM 1557 O GLU A 105 0.222 -25.226 -3.300 1.00 0.00 O ATOM 1558 CB GLU A 105 1.481 -23.448 -5.993 1.00 0.00 C ATOM 1559 CG GLU A 105 0.783 -22.513 -6.982 1.00 0.00 C ATOM 1560 CD GLU A 105 0.001 -23.307 -8.030 1.00 0.00 C ATOM 1561 OE1 GLU A 105 -1.167 -23.641 -7.736 1.00 0.00 O ATOM 1562 OE2 GLU A 105 0.590 -23.564 -9.103 1.00 0.00 O ATOM 0 H GLU A 105 2.746 -23.759 -3.751 1.00 0.00 H new ATOM 0 HA GLU A 105 0.273 -22.408 -4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.546 -23.218 -5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.388 -24.479 -6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 105 0.106 -21.849 -6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.523 -21.883 -7.476 1.00 0.00 H new