USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=18 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 26 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 21 THR OG1 : rot 94:sc= 1.04 USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 9 THR OG1 : rot -35:sc= 0.186 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0175 K(o=-0.017,f=-1.2) USER MOD Single : A 14 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -85:sc= 0.647 USER MOD Single : A 25 THR OG1 : rot -120:sc=-0.000632 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 59:sc= -1.24 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0495 USER MOD Single : A 48 CYS SG : rot 179:sc= -1.83! USER MOD Single : A 52 SER OG : rot 120:sc= -0.169 USER MOD Single : A 59 ASN : amide:sc= 0.77 K(o=0.77,f=-15!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 140:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -57:sc= 1.24 USER MOD Single : A 87 ASN : amide:sc= -4.52! C(o=-4.5!,f=-8.4!) USER MOD Single : A 92 SER OG : rot -160:sc= -0.749 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 99 GLN : amide:sc=-0.00608 K(o=-0.0061,f=-1.1) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N THR A 9 -0.591 10.903 1.844 1.00 0.00 N ATOM 81 CA THR A 9 -1.960 10.443 1.691 1.00 0.00 C ATOM 82 C THR A 9 -2.313 9.441 2.792 1.00 0.00 C ATOM 83 O THR A 9 -1.524 9.219 3.709 1.00 0.00 O ATOM 84 CB THR A 9 -2.113 9.873 0.279 1.00 0.00 C ATOM 85 OG1 THR A 9 -1.257 8.734 0.271 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.520 10.792 -0.791 1.00 0.00 C ATOM 0 HA THR A 9 -2.667 11.265 1.804 1.00 0.00 H new ATOM 0 HB THR A 9 -3.169 9.704 0.068 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.464 8.917 0.817 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.655 10.341 -1.774 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.026 11.757 -0.762 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.456 10.934 -0.600 1.00 0.00 H new ATOM 94 N SER A 10 -3.498 8.864 2.665 1.00 0.00 N ATOM 95 CA SER A 10 -3.965 7.890 3.638 1.00 0.00 C ATOM 96 C SER A 10 -3.406 6.506 3.303 1.00 0.00 C ATOM 97 O SER A 10 -3.400 6.099 2.142 1.00 0.00 O ATOM 98 CB SER A 10 -5.494 7.848 3.685 1.00 0.00 C ATOM 99 OG SER A 10 -5.984 7.747 5.019 1.00 0.00 O ATOM 0 H SER A 10 -4.150 9.052 1.903 1.00 0.00 H new ATOM 0 HA SER A 10 -3.606 8.191 4.622 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.896 8.747 3.218 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.852 6.999 3.102 1.00 0.00 H new ATOM 0 HG SER A 10 -6.964 7.725 5.007 1.00 0.00 H new ATOM 105 N ALA A 11 -2.950 5.820 4.341 1.00 0.00 N ATOM 106 CA ALA A 11 -2.390 4.490 4.171 1.00 0.00 C ATOM 107 C ALA A 11 -3.333 3.652 3.306 1.00 0.00 C ATOM 108 O ALA A 11 -4.518 3.960 3.195 1.00 0.00 O ATOM 109 CB ALA A 11 -2.144 3.861 5.544 1.00 0.00 C ATOM 0 H ALA A 11 -2.957 6.160 5.303 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.429 4.540 3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.724 2.863 5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.446 4.480 6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.087 3.791 6.087 1.00 0.00 H new ATOM 115 N PRO A 12 -2.755 2.580 2.699 1.00 0.00 N ATOM 116 CA PRO A 12 -3.531 1.695 1.847 1.00 0.00 C ATOM 117 C PRO A 12 -4.431 0.781 2.681 1.00 0.00 C ATOM 118 O PRO A 12 -4.200 0.598 3.875 1.00 0.00 O ATOM 119 CB PRO A 12 -2.500 0.930 1.032 1.00 0.00 C ATOM 120 CG PRO A 12 -1.185 1.076 1.781 1.00 0.00 C ATOM 121 CD PRO A 12 -1.354 2.185 2.807 1.00 0.00 C ATOM 0 HA PRO A 12 -4.216 2.235 1.193 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.779 -0.119 0.934 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.422 1.334 0.023 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.919 0.140 2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.377 1.315 1.090 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.118 1.834 3.812 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.689 3.023 2.597 1.00 0.00 H new ATOM 129 N GLN A 13 -5.439 0.232 2.019 1.00 0.00 N ATOM 130 CA GLN A 13 -6.375 -0.658 2.684 1.00 0.00 C ATOM 131 C GLN A 13 -6.864 -1.736 1.714 1.00 0.00 C ATOM 132 O GLN A 13 -6.556 -1.690 0.524 1.00 0.00 O ATOM 133 CB GLN A 13 -7.551 0.124 3.273 1.00 0.00 C ATOM 134 CG GLN A 13 -7.836 1.384 2.455 1.00 0.00 C ATOM 135 CD GLN A 13 -9.279 1.853 2.655 1.00 0.00 C ATOM 136 OE1 GLN A 13 -10.017 1.338 3.478 1.00 0.00 O ATOM 137 NE2 GLN A 13 -9.637 2.856 1.858 1.00 0.00 N ATOM 0 H GLN A 13 -5.628 0.387 1.029 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.857 -1.147 3.509 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.439 -0.508 3.294 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.330 0.398 4.305 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.148 2.177 2.750 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.658 1.184 1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.968 3.241 1.191 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.580 3.240 1.914 1.00 0.00 H new ATOM 146 N HIS A 14 -7.617 -2.679 2.259 1.00 0.00 N ATOM 147 CA HIS A 14 -8.152 -3.766 1.457 1.00 0.00 C ATOM 148 C HIS A 14 -7.001 -4.612 0.906 1.00 0.00 C ATOM 149 O HIS A 14 -7.140 -5.253 -0.134 1.00 0.00 O ATOM 150 CB HIS A 14 -9.071 -3.230 0.358 1.00 0.00 C ATOM 151 CG HIS A 14 -10.419 -2.766 0.857 1.00 0.00 C ATOM 152 ND1 HIS A 14 -11.547 -3.568 0.824 1.00 0.00 N ATOM 153 CD2 HIS A 14 -10.807 -1.578 1.402 1.00 0.00 C ATOM 154 CE1 HIS A 14 -12.563 -2.882 1.328 1.00 0.00 C ATOM 155 NE2 HIS A 14 -12.102 -1.649 1.685 1.00 0.00 N ATOM 0 H HIS A 14 -7.870 -2.713 3.247 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.768 -4.414 2.081 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.575 -2.399 -0.143 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.220 -4.010 -0.389 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.169 -0.724 1.574 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.577 -3.237 1.437 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.661 -0.904 2.101 1.00 0.00 H new ATOM 163 N LEU A 15 -5.892 -4.585 1.629 1.00 0.00 N ATOM 164 CA LEU A 15 -4.718 -5.341 1.226 1.00 0.00 C ATOM 165 C LEU A 15 -4.860 -6.788 1.703 1.00 0.00 C ATOM 166 O LEU A 15 -4.791 -7.061 2.900 1.00 0.00 O ATOM 167 CB LEU A 15 -3.443 -4.654 1.720 1.00 0.00 C ATOM 168 CG LEU A 15 -2.131 -5.384 1.425 1.00 0.00 C ATOM 169 CD1 LEU A 15 -1.760 -5.270 -0.055 1.00 0.00 C ATOM 170 CD2 LEU A 15 -1.008 -4.883 2.337 1.00 0.00 C ATOM 0 H LEU A 15 -5.781 -4.052 2.491 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.638 -5.369 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.392 -3.661 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.524 -4.514 2.798 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.274 -6.443 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.824 -5.797 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.549 -5.712 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.642 -4.219 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.087 -5.418 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.858 -3.815 2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.279 -5.059 3.378 1.00 0.00 H new ATOM 182 N THR A 16 -5.057 -7.677 0.740 1.00 0.00 N ATOM 183 CA THR A 16 -5.209 -9.089 1.046 1.00 0.00 C ATOM 184 C THR A 16 -4.473 -9.942 0.011 1.00 0.00 C ATOM 185 O THR A 16 -4.066 -9.441 -1.036 1.00 0.00 O ATOM 186 CB THR A 16 -6.706 -9.396 1.132 1.00 0.00 C ATOM 187 OG1 THR A 16 -7.286 -8.579 0.118 1.00 0.00 O ATOM 188 CG2 THR A 16 -7.336 -8.882 2.428 1.00 0.00 C ATOM 0 H THR A 16 -5.115 -7.447 -0.252 1.00 0.00 H new ATOM 0 HA THR A 16 -4.756 -9.336 2.006 1.00 0.00 H new ATOM 0 HB THR A 16 -6.861 -10.472 1.055 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.256 -8.716 0.102 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.398 -9.126 2.438 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.848 -9.352 3.281 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.211 -7.801 2.489 1.00 0.00 H new ATOM 196 N VAL A 17 -4.323 -11.217 0.340 1.00 0.00 N ATOM 197 CA VAL A 17 -3.643 -12.144 -0.548 1.00 0.00 C ATOM 198 C VAL A 17 -4.671 -12.825 -1.452 1.00 0.00 C ATOM 199 O VAL A 17 -5.376 -13.736 -1.021 1.00 0.00 O ATOM 200 CB VAL A 17 -2.814 -13.138 0.269 1.00 0.00 C ATOM 201 CG1 VAL A 17 -2.383 -14.328 -0.590 1.00 0.00 C ATOM 202 CG2 VAL A 17 -1.602 -12.451 0.902 1.00 0.00 C ATOM 0 H VAL A 17 -4.661 -11.630 1.209 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.945 -11.612 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.443 -13.517 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.795 -15.019 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.266 -14.840 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.780 -13.974 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.030 -13.179 1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.971 -12.031 0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.940 -11.652 1.562 1.00 0.00 H new ATOM 212 N GLU A 18 -4.725 -12.357 -2.691 1.00 0.00 N ATOM 213 CA GLU A 18 -5.656 -12.909 -3.660 1.00 0.00 C ATOM 214 C GLU A 18 -5.301 -14.365 -3.966 1.00 0.00 C ATOM 215 O GLU A 18 -6.127 -15.260 -3.788 1.00 0.00 O ATOM 216 CB GLU A 18 -5.679 -12.069 -4.939 1.00 0.00 C ATOM 217 CG GLU A 18 -6.157 -10.645 -4.651 1.00 0.00 C ATOM 218 CD GLU A 18 -7.592 -10.645 -4.122 1.00 0.00 C ATOM 219 OE1 GLU A 18 -7.746 -10.855 -2.899 1.00 0.00 O ATOM 220 OE2 GLU A 18 -8.503 -10.434 -4.951 1.00 0.00 O ATOM 0 H GLU A 18 -4.139 -11.601 -3.046 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.657 -12.882 -3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.681 -12.040 -5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.336 -12.536 -5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.497 -10.177 -3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.101 -10.048 -5.561 1.00 0.00 H new ATOM 227 N ASP A 19 -4.072 -14.558 -4.422 1.00 0.00 N ATOM 228 CA ASP A 19 -3.598 -15.891 -4.755 1.00 0.00 C ATOM 229 C ASP A 19 -2.188 -16.081 -4.193 1.00 0.00 C ATOM 230 O ASP A 19 -1.550 -15.118 -3.769 1.00 0.00 O ATOM 231 CB ASP A 19 -3.534 -16.090 -6.271 1.00 0.00 C ATOM 232 CG ASP A 19 -3.324 -17.536 -6.724 1.00 0.00 C ATOM 233 OD1 ASP A 19 -3.301 -18.413 -5.834 1.00 0.00 O ATOM 234 OD2 ASP A 19 -3.190 -17.732 -7.952 1.00 0.00 O ATOM 0 H ASP A 19 -3.390 -13.814 -4.569 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.292 -16.613 -4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.459 -15.718 -6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.724 -15.479 -6.669 1.00 0.00 H new ATOM 239 N VAL A 20 -1.742 -17.328 -4.210 1.00 0.00 N ATOM 240 CA VAL A 20 -0.419 -17.656 -3.707 1.00 0.00 C ATOM 241 C VAL A 20 0.168 -18.801 -4.537 1.00 0.00 C ATOM 242 O VAL A 20 -0.429 -19.872 -4.633 1.00 0.00 O ATOM 243 CB VAL A 20 -0.491 -17.977 -2.213 1.00 0.00 C ATOM 244 CG1 VAL A 20 0.776 -18.695 -1.744 1.00 0.00 C ATOM 245 CG2 VAL A 20 -0.739 -16.711 -1.392 1.00 0.00 C ATOM 0 H VAL A 20 -2.273 -18.124 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 20 0.251 -16.802 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.334 -18.649 -2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.698 -18.911 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.891 -19.628 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.642 -18.058 -1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.786 -16.967 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.074 -16.004 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.682 -16.258 -1.698 1.00 0.00 H new ATOM 255 N THR A 21 1.330 -18.535 -5.114 1.00 0.00 N ATOM 256 CA THR A 21 2.004 -19.529 -5.933 1.00 0.00 C ATOM 257 C THR A 21 3.106 -20.222 -5.129 1.00 0.00 C ATOM 258 O THR A 21 3.071 -20.231 -3.900 1.00 0.00 O ATOM 259 CB THR A 21 2.518 -18.833 -7.194 1.00 0.00 C ATOM 260 OG1 THR A 21 1.623 -17.739 -7.377 1.00 0.00 O ATOM 261 CG2 THR A 21 2.327 -19.684 -8.452 1.00 0.00 C ATOM 0 H THR A 21 1.822 -17.646 -5.031 1.00 0.00 H new ATOM 0 HA THR A 21 1.320 -20.321 -6.238 1.00 0.00 H new ATOM 0 HB THR A 21 3.575 -18.597 -7.072 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.992 -16.939 -6.947 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.708 -19.144 -9.318 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.870 -20.623 -8.342 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.266 -19.893 -8.593 1.00 0.00 H new ATOM 269 N ASP A 22 4.058 -20.788 -5.857 1.00 0.00 N ATOM 270 CA ASP A 22 5.168 -21.482 -5.228 1.00 0.00 C ATOM 271 C ASP A 22 6.339 -20.513 -5.058 1.00 0.00 C ATOM 272 O ASP A 22 7.072 -20.585 -4.072 1.00 0.00 O ATOM 273 CB ASP A 22 5.645 -22.653 -6.090 1.00 0.00 C ATOM 274 CG ASP A 22 5.624 -22.397 -7.598 1.00 0.00 C ATOM 275 OD1 ASP A 22 4.503 -22.325 -8.146 1.00 0.00 O ATOM 276 OD2 ASP A 22 6.730 -22.278 -8.169 1.00 0.00 O ATOM 0 H ASP A 22 4.083 -20.780 -6.877 1.00 0.00 H new ATOM 0 HA ASP A 22 4.827 -21.859 -4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.662 -22.911 -5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.021 -23.520 -5.875 1.00 0.00 H new ATOM 281 N THR A 23 6.480 -19.628 -6.033 1.00 0.00 N ATOM 282 CA THR A 23 7.550 -18.645 -6.004 1.00 0.00 C ATOM 283 C THR A 23 7.020 -17.267 -6.404 1.00 0.00 C ATOM 284 O THR A 23 7.786 -16.401 -6.823 1.00 0.00 O ATOM 285 CB THR A 23 8.679 -19.148 -6.906 1.00 0.00 C ATOM 286 OG1 THR A 23 8.002 -19.754 -8.004 1.00 0.00 O ATOM 287 CG2 THR A 23 9.467 -20.296 -6.274 1.00 0.00 C ATOM 0 H THR A 23 5.871 -19.571 -6.849 1.00 0.00 H new ATOM 0 HA THR A 23 7.949 -18.524 -4.997 1.00 0.00 H new ATOM 0 HB THR A 23 9.357 -18.325 -7.132 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.770 -20.678 -7.776 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.256 -20.615 -6.956 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.911 -19.960 -5.337 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.797 -21.133 -6.078 1.00 0.00 H new ATOM 295 N THR A 24 5.713 -17.107 -6.261 1.00 0.00 N ATOM 296 CA THR A 24 5.071 -15.849 -6.602 1.00 0.00 C ATOM 297 C THR A 24 3.771 -15.682 -5.813 1.00 0.00 C ATOM 298 O THR A 24 3.011 -16.636 -5.653 1.00 0.00 O ATOM 299 CB THR A 24 4.870 -15.817 -8.118 1.00 0.00 C ATOM 300 OG1 THR A 24 4.585 -17.171 -8.460 1.00 0.00 O ATOM 301 CG2 THR A 24 6.164 -15.506 -8.874 1.00 0.00 C ATOM 0 H THR A 24 5.081 -17.828 -5.913 1.00 0.00 H new ATOM 0 HA THR A 24 5.694 -14.999 -6.324 1.00 0.00 H new ATOM 0 HB THR A 24 4.115 -15.071 -8.368 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.439 -17.241 -9.427 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.966 -15.495 -9.946 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.541 -14.531 -8.565 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.909 -16.270 -8.650 1.00 0.00 H new ATOM 309 N THR A 25 3.555 -14.463 -5.341 1.00 0.00 N ATOM 310 CA THR A 25 2.359 -14.159 -4.573 1.00 0.00 C ATOM 311 C THR A 25 1.659 -12.924 -5.143 1.00 0.00 C ATOM 312 O THR A 25 2.313 -12.006 -5.635 1.00 0.00 O ATOM 313 CB THR A 25 2.767 -14.003 -3.106 1.00 0.00 C ATOM 314 OG1 THR A 25 3.420 -15.231 -2.796 1.00 0.00 O ATOM 315 CG2 THR A 25 1.562 -13.973 -2.164 1.00 0.00 C ATOM 0 H THR A 25 4.188 -13.674 -5.475 1.00 0.00 H new ATOM 0 HA THR A 25 1.630 -14.967 -4.639 1.00 0.00 H new ATOM 0 HB THR A 25 3.345 -13.087 -2.985 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.945 -15.678 -2.065 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.907 -13.861 -1.136 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.917 -13.133 -2.424 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.002 -14.903 -2.260 1.00 0.00 H new ATOM 323 N THR A 26 0.337 -12.941 -5.058 1.00 0.00 N ATOM 324 CA THR A 26 -0.460 -11.834 -5.559 1.00 0.00 C ATOM 325 C THR A 26 -0.997 -10.995 -4.398 1.00 0.00 C ATOM 326 O THR A 26 -1.238 -11.515 -3.310 1.00 0.00 O ATOM 327 CB THR A 26 -1.561 -12.410 -6.452 1.00 0.00 C ATOM 328 OG1 THR A 26 -0.853 -12.996 -7.542 1.00 0.00 O ATOM 329 CG2 THR A 26 -2.414 -11.321 -7.105 1.00 0.00 C ATOM 0 H THR A 26 -0.203 -13.704 -4.650 1.00 0.00 H new ATOM 0 HA THR A 26 0.143 -11.153 -6.160 1.00 0.00 H new ATOM 0 HB THR A 26 -2.200 -13.067 -5.862 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.491 -13.395 -8.170 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.180 -11.783 -7.728 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.890 -10.719 -6.331 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.781 -10.684 -7.722 1.00 0.00 H new ATOM 337 N LEU A 27 -1.168 -9.709 -4.669 1.00 0.00 N ATOM 338 CA LEU A 27 -1.672 -8.792 -3.661 1.00 0.00 C ATOM 339 C LEU A 27 -2.655 -7.817 -4.310 1.00 0.00 C ATOM 340 O LEU A 27 -2.514 -7.476 -5.484 1.00 0.00 O ATOM 341 CB LEU A 27 -0.514 -8.106 -2.934 1.00 0.00 C ATOM 342 CG LEU A 27 0.477 -9.032 -2.226 1.00 0.00 C ATOM 343 CD1 LEU A 27 1.845 -8.362 -2.081 1.00 0.00 C ATOM 344 CD2 LEU A 27 -0.077 -9.501 -0.880 1.00 0.00 C ATOM 0 H LEU A 27 -0.966 -9.281 -5.572 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.223 -9.335 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.036 -7.503 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.930 -7.420 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 27 0.617 -9.919 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.531 -9.041 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.238 -8.119 -3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.742 -7.448 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.647 -10.158 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.264 -8.637 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.009 -10.043 -1.039 1.00 0.00 H new ATOM 356 N LYS A 28 -3.631 -7.395 -3.519 1.00 0.00 N ATOM 357 CA LYS A 28 -4.637 -6.465 -4.002 1.00 0.00 C ATOM 358 C LYS A 28 -5.032 -5.514 -2.871 1.00 0.00 C ATOM 359 O LYS A 28 -5.518 -5.951 -1.829 1.00 0.00 O ATOM 360 CB LYS A 28 -5.820 -7.223 -4.609 1.00 0.00 C ATOM 361 CG LYS A 28 -6.056 -6.800 -6.060 1.00 0.00 C ATOM 362 CD LYS A 28 -7.381 -7.357 -6.585 1.00 0.00 C ATOM 363 CE LYS A 28 -8.047 -6.372 -7.547 1.00 0.00 C ATOM 364 NZ LYS A 28 -7.777 -6.756 -8.951 1.00 0.00 N ATOM 0 H LYS A 28 -3.746 -7.680 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.233 -5.852 -4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.630 -8.295 -4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.718 -7.034 -4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.062 -5.712 -6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.236 -7.155 -6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.205 -8.305 -7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.050 -7.563 -5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.122 -6.352 -7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.674 -5.365 -7.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.236 -6.077 -9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.751 -6.752 -9.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.154 -7.709 -9.129 1.00 0.00 H new ATOM 378 N TRP A 29 -4.808 -4.231 -3.114 1.00 0.00 N ATOM 379 CA TRP A 29 -5.135 -3.214 -2.129 1.00 0.00 C ATOM 380 C TRP A 29 -6.045 -2.182 -2.798 1.00 0.00 C ATOM 381 O TRP A 29 -6.362 -2.303 -3.980 1.00 0.00 O ATOM 382 CB TRP A 29 -3.866 -2.597 -1.537 1.00 0.00 C ATOM 383 CG TRP A 29 -3.051 -1.772 -2.534 1.00 0.00 C ATOM 384 CD1 TRP A 29 -3.348 -0.571 -3.049 1.00 0.00 C ATOM 385 CD2 TRP A 29 -1.783 -2.138 -3.120 1.00 0.00 C ATOM 386 NE1 TRP A 29 -2.369 -0.138 -3.920 1.00 0.00 N ATOM 387 CE2 TRP A 29 -1.388 -1.121 -3.965 1.00 0.00 C ATOM 388 CE3 TRP A 29 -0.998 -3.290 -2.942 1.00 0.00 C ATOM 389 CZ2 TRP A 29 -0.196 -1.154 -4.698 1.00 0.00 C ATOM 390 CZ3 TRP A 29 0.191 -3.308 -3.682 1.00 0.00 C ATOM 391 CH2 TRP A 29 0.603 -2.292 -4.537 1.00 0.00 C ATOM 0 H TRP A 29 -4.404 -3.872 -3.979 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.668 -3.652 -1.285 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.142 -1.962 -0.695 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.237 -3.395 -1.141 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.241 -0.012 -2.812 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.366 0.742 -4.436 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.289 -4.098 -2.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.092 -0.345 -5.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.832 -4.171 -3.581 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.535 -2.380 -5.075 1.00 0.00 H new ATOM 402 N ARG A 30 -6.439 -1.190 -2.013 1.00 0.00 N ATOM 403 CA ARG A 30 -7.306 -0.138 -2.514 1.00 0.00 C ATOM 404 C ARG A 30 -6.684 1.235 -2.247 1.00 0.00 C ATOM 405 O ARG A 30 -5.883 1.389 -1.327 1.00 0.00 O ATOM 406 CB ARG A 30 -8.686 -0.201 -1.857 1.00 0.00 C ATOM 407 CG ARG A 30 -9.538 -1.310 -2.477 1.00 0.00 C ATOM 408 CD ARG A 30 -10.774 -0.731 -3.169 1.00 0.00 C ATOM 409 NE ARG A 30 -10.444 -0.354 -4.561 1.00 0.00 N ATOM 410 CZ ARG A 30 -11.288 0.278 -5.389 1.00 0.00 C ATOM 411 NH1 ARG A 30 -12.517 0.607 -4.968 1.00 0.00 N ATOM 412 NH2 ARG A 30 -10.903 0.580 -6.636 1.00 0.00 N ATOM 0 H ARG A 30 -6.173 -1.093 -1.033 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.420 -0.287 -3.588 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.576 -0.377 -0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.191 0.758 -1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.943 -1.871 -3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.846 -2.013 -1.703 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.581 -1.464 -3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.132 0.141 -2.622 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.516 -0.590 -4.913 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.809 0.377 -4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.160 1.088 -5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.967 0.329 -6.956 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.545 1.061 -7.266 1.00 0.00 H new ATOM 426 N PRO A 31 -7.088 2.222 -3.090 1.00 0.00 N ATOM 427 CA PRO A 31 -6.579 3.577 -2.954 1.00 0.00 C ATOM 428 C PRO A 31 -7.221 4.286 -1.761 1.00 0.00 C ATOM 429 O PRO A 31 -8.292 3.892 -1.302 1.00 0.00 O ATOM 430 CB PRO A 31 -6.890 4.249 -4.282 1.00 0.00 C ATOM 431 CG PRO A 31 -7.967 3.399 -4.937 1.00 0.00 C ATOM 432 CD PRO A 31 -8.035 2.077 -4.191 1.00 0.00 C ATOM 0 HA PRO A 31 -5.509 3.606 -2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.237 5.271 -4.131 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.001 4.304 -4.910 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.930 3.908 -4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.735 3.232 -5.989 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.042 1.881 -3.823 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.764 1.243 -4.838 1.00 0.00 H new ATOM 440 N PRO A 32 -6.521 5.348 -1.279 1.00 0.00 N ATOM 441 CA PRO A 32 -7.011 6.116 -0.147 1.00 0.00 C ATOM 442 C PRO A 32 -8.171 7.025 -0.562 1.00 0.00 C ATOM 443 O PRO A 32 -8.532 7.079 -1.737 1.00 0.00 O ATOM 444 CB PRO A 32 -5.803 6.889 0.357 1.00 0.00 C ATOM 445 CG PRO A 32 -4.800 6.885 -0.785 1.00 0.00 C ATOM 446 CD PRO A 32 -5.249 5.844 -1.797 1.00 0.00 C ATOM 0 HA PRO A 32 -7.422 5.486 0.642 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.078 7.907 0.632 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.383 6.421 1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.746 7.870 -1.249 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.802 6.652 -0.415 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.369 6.281 -2.788 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.518 5.040 -1.889 1.00 0.00 H new ATOM 454 N ASP A 33 -8.722 7.715 0.425 1.00 0.00 N ATOM 455 CA ASP A 33 -9.833 8.618 0.178 1.00 0.00 C ATOM 456 C ASP A 33 -9.332 10.062 0.226 1.00 0.00 C ATOM 457 O ASP A 33 -9.918 10.948 -0.394 1.00 0.00 O ATOM 458 CB ASP A 33 -10.920 8.459 1.243 1.00 0.00 C ATOM 459 CG ASP A 33 -12.242 9.161 0.927 1.00 0.00 C ATOM 460 OD1 ASP A 33 -12.440 9.491 -0.262 1.00 0.00 O ATOM 461 OD2 ASP A 33 -13.025 9.353 1.883 1.00 0.00 O ATOM 0 H ASP A 33 -8.420 7.667 1.398 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.249 8.379 -0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.115 7.396 1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.539 8.843 2.189 1.00 0.00 H new ATOM 466 N ARG A 34 -8.252 10.255 0.970 1.00 0.00 N ATOM 467 CA ARG A 34 -7.665 11.577 1.108 1.00 0.00 C ATOM 468 C ARG A 34 -6.324 11.641 0.374 1.00 0.00 C ATOM 469 O ARG A 34 -5.269 11.491 0.988 1.00 0.00 O ATOM 470 CB ARG A 34 -7.451 11.934 2.580 1.00 0.00 C ATOM 471 CG ARG A 34 -8.648 12.707 3.137 1.00 0.00 C ATOM 472 CD ARG A 34 -8.192 13.970 3.871 1.00 0.00 C ATOM 473 NE ARG A 34 -8.902 14.087 5.165 1.00 0.00 N ATOM 474 CZ ARG A 34 -8.694 13.277 6.212 1.00 0.00 C ATOM 475 NH1 ARG A 34 -7.797 12.286 6.124 1.00 0.00 N ATOM 476 NH2 ARG A 34 -9.385 13.458 7.346 1.00 0.00 N ATOM 0 H ARG A 34 -7.769 9.518 1.483 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.358 12.295 0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.300 11.024 3.160 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.546 12.533 2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.321 12.978 2.323 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.212 12.070 3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.116 13.934 4.039 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.390 14.849 3.257 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.593 14.831 5.266 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.272 12.148 5.260 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.639 11.669 6.921 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.069 14.212 7.412 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.227 12.842 8.143 1.00 0.00 H new ATOM 559 N ASP A 41 1.731 8.544 -6.505 1.00 0.00 N ATOM 560 CA ASP A 41 2.569 8.011 -7.566 1.00 0.00 C ATOM 561 C ASP A 41 2.315 6.509 -7.705 1.00 0.00 C ATOM 562 O ASP A 41 2.099 6.012 -8.809 1.00 0.00 O ATOM 563 CB ASP A 41 4.053 8.212 -7.250 1.00 0.00 C ATOM 564 CG ASP A 41 4.732 9.341 -8.028 1.00 0.00 C ATOM 565 OD1 ASP A 41 4.368 10.508 -7.770 1.00 0.00 O ATOM 566 OD2 ASP A 41 5.601 9.010 -8.864 1.00 0.00 O ATOM 0 HA ASP A 41 2.322 8.538 -8.487 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.158 8.411 -6.184 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.582 7.281 -7.454 1.00 0.00 H new ATOM 571 N GLY A 42 2.349 5.828 -6.569 1.00 0.00 N ATOM 572 CA GLY A 42 2.125 4.392 -6.550 1.00 0.00 C ATOM 573 C GLY A 42 2.237 3.838 -5.129 1.00 0.00 C ATOM 574 O GLY A 42 1.768 4.461 -4.177 1.00 0.00 O ATOM 0 H GLY A 42 2.528 6.244 -5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.138 4.169 -6.954 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.852 3.898 -7.195 1.00 0.00 H new ATOM 578 N TYR A 43 2.861 2.673 -5.029 1.00 0.00 N ATOM 579 CA TYR A 43 3.041 2.029 -3.739 1.00 0.00 C ATOM 580 C TYR A 43 4.343 1.226 -3.704 1.00 0.00 C ATOM 581 O TYR A 43 4.807 0.743 -4.736 1.00 0.00 O ATOM 582 CB TYR A 43 1.860 1.069 -3.580 1.00 0.00 C ATOM 583 CG TYR A 43 0.573 1.741 -3.095 1.00 0.00 C ATOM 584 CD1 TYR A 43 0.374 1.957 -1.746 1.00 0.00 C ATOM 585 CD2 TYR A 43 -0.387 2.131 -4.006 1.00 0.00 C ATOM 586 CE1 TYR A 43 -0.837 2.589 -1.290 1.00 0.00 C ATOM 587 CE2 TYR A 43 -1.598 2.763 -3.549 1.00 0.00 C ATOM 588 CZ TYR A 43 -1.763 2.961 -2.214 1.00 0.00 C ATOM 589 OH TYR A 43 -2.906 3.558 -1.783 1.00 0.00 O ATOM 0 H TYR A 43 3.248 2.159 -5.820 1.00 0.00 H new ATOM 0 HA TYR A 43 3.088 2.771 -2.942 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.667 0.585 -4.537 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.135 0.284 -2.876 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.126 1.652 -1.033 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.231 1.962 -5.061 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.006 2.764 -0.238 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.358 3.073 -4.251 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.683 4.376 -1.291 1.00 0.00 H new ATOM 599 N LEU A 44 4.896 1.109 -2.506 1.00 0.00 N ATOM 600 CA LEU A 44 6.135 0.373 -2.322 1.00 0.00 C ATOM 601 C LEU A 44 5.857 -0.891 -1.506 1.00 0.00 C ATOM 602 O LEU A 44 5.516 -0.810 -0.327 1.00 0.00 O ATOM 603 CB LEU A 44 7.209 1.276 -1.712 1.00 0.00 C ATOM 604 CG LEU A 44 8.175 1.932 -2.700 1.00 0.00 C ATOM 605 CD1 LEU A 44 9.280 2.693 -1.964 1.00 0.00 C ATOM 606 CD2 LEU A 44 8.743 0.902 -3.679 1.00 0.00 C ATOM 0 H LEU A 44 4.509 1.512 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 44 6.532 0.050 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.714 2.062 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.791 0.687 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 44 7.618 2.662 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.953 3.150 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.835 3.470 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.840 2.002 -1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.427 1.395 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.280 0.131 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.928 0.445 -4.240 1.00 0.00 H new ATOM 618 N VAL A 45 6.014 -2.029 -2.165 1.00 0.00 N ATOM 619 CA VAL A 45 5.784 -3.308 -1.515 1.00 0.00 C ATOM 620 C VAL A 45 7.107 -3.838 -0.960 1.00 0.00 C ATOM 621 O VAL A 45 8.145 -3.731 -1.611 1.00 0.00 O ATOM 622 CB VAL A 45 5.114 -4.278 -2.491 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.570 -5.505 -1.757 1.00 0.00 C ATOM 624 CG2 VAL A 45 4.010 -3.580 -3.287 1.00 0.00 C ATOM 0 H VAL A 45 6.298 -2.092 -3.143 1.00 0.00 H new ATOM 0 HA VAL A 45 5.101 -3.191 -0.673 1.00 0.00 H new ATOM 0 HB VAL A 45 5.871 -4.619 -3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.099 -6.178 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.389 -6.022 -1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.834 -5.190 -1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.550 -4.292 -3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.254 -3.197 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.438 -2.754 -3.855 1.00 0.00 H new ATOM 634 N GLU A 46 7.027 -4.398 0.239 1.00 0.00 N ATOM 635 CA GLU A 46 8.206 -4.945 0.890 1.00 0.00 C ATOM 636 C GLU A 46 7.812 -6.087 1.828 1.00 0.00 C ATOM 637 O GLU A 46 6.766 -6.032 2.473 1.00 0.00 O ATOM 638 CB GLU A 46 8.971 -3.855 1.643 1.00 0.00 C ATOM 639 CG GLU A 46 8.984 -2.546 0.851 1.00 0.00 C ATOM 640 CD GLU A 46 9.740 -1.453 1.610 1.00 0.00 C ATOM 641 OE1 GLU A 46 10.937 -1.681 1.890 1.00 0.00 O ATOM 642 OE2 GLU A 46 9.104 -0.415 1.893 1.00 0.00 O ATOM 0 H GLU A 46 6.164 -4.485 0.776 1.00 0.00 H new ATOM 0 HA GLU A 46 8.869 -5.344 0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.511 -3.690 2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.994 -4.184 1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.451 -2.709 -0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.961 -2.221 0.662 1.00 0.00 H new ATOM 649 N TYR A 47 8.670 -7.095 1.874 1.00 0.00 N ATOM 650 CA TYR A 47 8.425 -8.249 2.723 1.00 0.00 C ATOM 651 C TYR A 47 9.577 -8.460 3.708 1.00 0.00 C ATOM 652 O TYR A 47 10.734 -8.207 3.378 1.00 0.00 O ATOM 653 CB TYR A 47 8.346 -9.454 1.783 1.00 0.00 C ATOM 654 CG TYR A 47 9.604 -9.669 0.940 1.00 0.00 C ATOM 655 CD1 TYR A 47 9.850 -8.861 -0.152 1.00 0.00 C ATOM 656 CD2 TYR A 47 10.493 -10.671 1.271 1.00 0.00 C ATOM 657 CE1 TYR A 47 11.034 -9.064 -0.945 1.00 0.00 C ATOM 658 CE2 TYR A 47 11.678 -10.874 0.477 1.00 0.00 C ATOM 659 CZ TYR A 47 11.890 -10.060 -0.592 1.00 0.00 C ATOM 660 OH TYR A 47 13.008 -10.252 -1.342 1.00 0.00 O ATOM 0 H TYR A 47 9.536 -7.137 1.337 1.00 0.00 H new ATOM 0 HA TYR A 47 7.513 -8.111 3.304 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.159 -10.351 2.374 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.492 -9.327 1.117 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.154 -8.077 -0.411 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.301 -11.303 2.125 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.238 -8.439 -1.802 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.382 -11.655 0.725 1.00 0.00 H new ATOM 0 HH TYR A 47 13.526 -10.997 -0.972 1.00 0.00 H new ATOM 670 N CYS A 48 9.219 -8.921 4.897 1.00 0.00 N ATOM 671 CA CYS A 48 10.208 -9.169 5.932 1.00 0.00 C ATOM 672 C CYS A 48 10.094 -10.631 6.366 1.00 0.00 C ATOM 673 O CYS A 48 9.079 -11.038 6.930 1.00 0.00 O ATOM 674 CB CYS A 48 10.044 -8.209 7.112 1.00 0.00 C ATOM 675 SG CYS A 48 11.029 -8.797 8.539 1.00 0.00 S ATOM 0 H CYS A 48 8.258 -9.129 5.167 1.00 0.00 H new ATOM 0 HA CYS A 48 11.207 -8.986 5.535 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.366 -7.208 6.825 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.992 -8.138 7.390 1.00 0.00 H new ATOM 0 HG CYS A 48 10.897 -7.965 9.529 1.00 0.00 H new ATOM 681 N LEU A 49 11.148 -11.383 6.085 1.00 0.00 N ATOM 682 CA LEU A 49 11.179 -12.792 6.439 1.00 0.00 C ATOM 683 C LEU A 49 11.072 -12.934 7.959 1.00 0.00 C ATOM 684 O LEU A 49 11.708 -12.188 8.702 1.00 0.00 O ATOM 685 CB LEU A 49 12.416 -13.467 5.844 1.00 0.00 C ATOM 686 CG LEU A 49 12.434 -13.611 4.321 1.00 0.00 C ATOM 687 CD1 LEU A 49 13.757 -13.109 3.738 1.00 0.00 C ATOM 688 CD2 LEU A 49 12.134 -15.052 3.902 1.00 0.00 C ATOM 0 H LEU A 49 11.987 -11.043 5.616 1.00 0.00 H new ATOM 0 HA LEU A 49 10.323 -13.312 6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.296 -12.899 6.146 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.511 -14.460 6.284 1.00 0.00 H new ATOM 0 HG LEU A 49 11.642 -12.985 3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.743 -13.223 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.890 -12.057 3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.581 -13.689 4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.153 -15.126 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.886 -15.718 4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.148 -15.340 4.268 1.00 0.00 H new ATOM 700 N GLU A 50 10.262 -13.896 8.375 1.00 0.00 N ATOM 701 CA GLU A 50 10.064 -14.146 9.793 1.00 0.00 C ATOM 702 C GLU A 50 11.413 -14.248 10.508 1.00 0.00 C ATOM 703 O GLU A 50 12.279 -15.020 10.099 1.00 0.00 O ATOM 704 CB GLU A 50 9.227 -15.407 10.016 1.00 0.00 C ATOM 705 CG GLU A 50 8.774 -15.514 11.474 1.00 0.00 C ATOM 706 CD GLU A 50 7.620 -14.551 11.761 1.00 0.00 C ATOM 707 OE1 GLU A 50 6.555 -14.740 11.135 1.00 0.00 O ATOM 708 OE2 GLU A 50 7.829 -13.649 12.600 1.00 0.00 O ATOM 0 H GLU A 50 9.735 -14.512 7.755 1.00 0.00 H new ATOM 0 HA GLU A 50 9.514 -13.306 10.217 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.356 -15.390 9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.811 -16.287 9.747 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.461 -16.536 11.687 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.611 -15.292 12.136 1.00 0.00 H new ATOM 715 N GLY A 51 11.549 -13.459 11.563 1.00 0.00 N ATOM 716 CA GLY A 51 12.777 -13.452 12.339 1.00 0.00 C ATOM 717 C GLY A 51 13.670 -12.275 11.940 1.00 0.00 C ATOM 718 O GLY A 51 14.434 -11.765 12.759 1.00 0.00 O ATOM 0 H GLY A 51 10.829 -12.820 11.899 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.540 -13.390 13.401 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.313 -14.388 12.186 1.00 0.00 H new ATOM 722 N SER A 52 13.545 -11.879 10.682 1.00 0.00 N ATOM 723 CA SER A 52 14.332 -10.772 10.164 1.00 0.00 C ATOM 724 C SER A 52 13.688 -9.442 10.561 1.00 0.00 C ATOM 725 O SER A 52 12.492 -9.387 10.843 1.00 0.00 O ATOM 726 CB SER A 52 14.473 -10.861 8.643 1.00 0.00 C ATOM 727 OG SER A 52 15.078 -9.693 8.095 1.00 0.00 O ATOM 0 H SER A 52 12.911 -12.305 10.006 1.00 0.00 H new ATOM 0 HA SER A 52 15.330 -10.829 10.598 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.071 -11.735 8.385 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.490 -11.004 8.195 1.00 0.00 H new ATOM 0 HG SER A 52 15.907 -9.940 7.634 1.00 0.00 H new ATOM 733 N GLU A 53 14.509 -8.403 10.569 1.00 0.00 N ATOM 734 CA GLU A 53 14.035 -7.077 10.927 1.00 0.00 C ATOM 735 C GLU A 53 14.172 -6.125 9.737 1.00 0.00 C ATOM 736 O GLU A 53 13.784 -4.961 9.820 1.00 0.00 O ATOM 737 CB GLU A 53 14.782 -6.538 12.149 1.00 0.00 C ATOM 738 CG GLU A 53 14.068 -5.318 12.734 1.00 0.00 C ATOM 739 CD GLU A 53 14.166 -5.305 14.261 1.00 0.00 C ATOM 740 OE1 GLU A 53 13.631 -6.255 14.872 1.00 0.00 O ATOM 741 OE2 GLU A 53 14.774 -4.345 14.782 1.00 0.00 O ATOM 0 H GLU A 53 15.500 -8.452 10.333 1.00 0.00 H new ATOM 0 HA GLU A 53 12.980 -7.149 11.190 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.857 -7.318 12.907 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.800 -6.268 11.868 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.508 -4.406 12.330 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.020 -5.327 12.433 1.00 0.00 H new ATOM 748 N GLU A 54 14.726 -6.656 8.656 1.00 0.00 N ATOM 749 CA GLU A 54 14.920 -5.868 7.451 1.00 0.00 C ATOM 750 C GLU A 54 13.810 -6.164 6.440 1.00 0.00 C ATOM 751 O GLU A 54 13.539 -7.324 6.132 1.00 0.00 O ATOM 752 CB GLU A 54 16.299 -6.127 6.842 1.00 0.00 C ATOM 753 CG GLU A 54 16.275 -7.358 5.933 1.00 0.00 C ATOM 754 CD GLU A 54 17.693 -7.860 5.652 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.431 -8.059 6.642 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.007 -8.034 4.455 1.00 0.00 O ATOM 0 H GLU A 54 15.046 -7.622 8.590 1.00 0.00 H new ATOM 0 HA GLU A 54 14.870 -4.812 7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.618 -5.255 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 54 17.030 -6.272 7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 54 15.691 -8.150 6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.780 -7.111 4.994 1.00 0.00 H new ATOM 763 N TRP A 55 13.199 -5.095 5.951 1.00 0.00 N ATOM 764 CA TRP A 55 12.125 -5.225 4.981 1.00 0.00 C ATOM 765 C TRP A 55 12.722 -5.030 3.586 1.00 0.00 C ATOM 766 O TRP A 55 13.173 -3.937 3.247 1.00 0.00 O ATOM 767 CB TRP A 55 10.988 -4.248 5.287 1.00 0.00 C ATOM 768 CG TRP A 55 10.103 -4.672 6.461 1.00 0.00 C ATOM 769 CD1 TRP A 55 10.303 -4.451 7.767 1.00 0.00 C ATOM 770 CD2 TRP A 55 8.861 -5.402 6.381 1.00 0.00 C ATOM 771 NE1 TRP A 55 9.286 -4.983 8.532 1.00 0.00 N ATOM 772 CE2 TRP A 55 8.381 -5.580 7.663 1.00 0.00 C ATOM 773 CE3 TRP A 55 8.166 -5.896 5.263 1.00 0.00 C ATOM 774 CZ2 TRP A 55 7.187 -6.254 7.947 1.00 0.00 C ATOM 775 CZ3 TRP A 55 6.975 -6.567 5.565 1.00 0.00 C ATOM 776 CH2 TRP A 55 6.478 -6.755 6.849 1.00 0.00 C ATOM 0 H TRP A 55 13.427 -4.135 6.208 1.00 0.00 H new ATOM 0 HA TRP A 55 11.677 -6.217 5.032 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.413 -3.267 5.501 1.00 0.00 H new ATOM 0 HB3 TRP A 55 10.367 -4.139 4.398 1.00 0.00 H new ATOM 0 HD1 TRP A 55 11.154 -3.922 8.170 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.212 -4.945 9.549 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.523 -5.768 4.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.832 -6.381 8.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.402 -6.967 4.742 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.549 -7.285 6.999 1.00 0.00 H new ATOM 787 N VAL A 56 12.705 -6.107 2.814 1.00 0.00 N ATOM 788 CA VAL A 56 13.238 -6.068 1.463 1.00 0.00 C ATOM 789 C VAL A 56 12.181 -5.493 0.518 1.00 0.00 C ATOM 790 O VAL A 56 10.994 -5.778 0.662 1.00 0.00 O ATOM 791 CB VAL A 56 13.716 -7.461 1.048 1.00 0.00 C ATOM 792 CG1 VAL A 56 14.263 -7.450 -0.381 1.00 0.00 C ATOM 793 CG2 VAL A 56 14.759 -7.998 2.031 1.00 0.00 C ATOM 0 H VAL A 56 12.330 -7.012 3.099 1.00 0.00 H new ATOM 0 HA VAL A 56 14.108 -5.413 1.415 1.00 0.00 H new ATOM 0 HB VAL A 56 12.857 -8.131 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.596 -8.452 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.479 -7.131 -1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 56 15.104 -6.759 -0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 56 15.082 -8.989 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.617 -7.326 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.321 -8.061 3.027 1.00 0.00 H new ATOM 803 N PRO A 57 12.664 -4.672 -0.453 1.00 0.00 N ATOM 804 CA PRO A 57 11.774 -4.054 -1.421 1.00 0.00 C ATOM 805 C PRO A 57 11.309 -5.071 -2.465 1.00 0.00 C ATOM 806 O PRO A 57 12.106 -5.547 -3.272 1.00 0.00 O ATOM 807 CB PRO A 57 12.578 -2.912 -2.022 1.00 0.00 C ATOM 808 CG PRO A 57 14.034 -3.218 -1.710 1.00 0.00 C ATOM 809 CD PRO A 57 14.064 -4.311 -0.654 1.00 0.00 C ATOM 0 HA PRO A 57 10.855 -3.682 -0.969 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.415 -2.843 -3.098 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.279 -1.956 -1.593 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.557 -3.542 -2.610 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.543 -2.324 -1.349 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.650 -5.168 -0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.518 -3.955 0.271 1.00 0.00 H new ATOM 817 N ALA A 58 10.020 -5.374 -2.416 1.00 0.00 N ATOM 818 CA ALA A 58 9.438 -6.326 -3.347 1.00 0.00 C ATOM 819 C ALA A 58 9.554 -5.776 -4.770 1.00 0.00 C ATOM 820 O ALA A 58 9.934 -6.500 -5.689 1.00 0.00 O ATOM 821 CB ALA A 58 7.989 -6.610 -2.948 1.00 0.00 C ATOM 0 H ALA A 58 9.362 -4.977 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 58 9.976 -7.273 -3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.553 -7.324 -3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.964 -7.026 -1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.417 -5.683 -2.972 1.00 0.00 H new ATOM 827 N ASN A 59 9.220 -4.502 -4.907 1.00 0.00 N ATOM 828 CA ASN A 59 9.281 -3.847 -6.203 1.00 0.00 C ATOM 829 C ASN A 59 10.235 -2.653 -6.121 1.00 0.00 C ATOM 830 O ASN A 59 10.080 -1.789 -5.259 1.00 0.00 O ATOM 831 CB ASN A 59 7.906 -3.326 -6.623 1.00 0.00 C ATOM 832 CG ASN A 59 7.247 -2.540 -5.487 1.00 0.00 C ATOM 833 OD1 ASN A 59 7.503 -2.761 -4.315 1.00 0.00 O ATOM 834 ND2 ASN A 59 6.386 -1.613 -5.899 1.00 0.00 N ATOM 0 H ASN A 59 8.906 -3.905 -4.142 1.00 0.00 H new ATOM 0 HA ASN A 59 9.627 -4.578 -6.934 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.008 -2.688 -7.501 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.268 -4.162 -6.909 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.894 -1.035 -5.218 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.218 -1.480 -6.896 1.00 0.00 H new ATOM 841 N LYS A 60 11.199 -2.643 -7.030 1.00 0.00 N ATOM 842 CA LYS A 60 12.177 -1.569 -7.071 1.00 0.00 C ATOM 843 C LYS A 60 11.451 -0.229 -7.209 1.00 0.00 C ATOM 844 O LYS A 60 11.780 0.733 -6.517 1.00 0.00 O ATOM 845 CB LYS A 60 13.208 -1.826 -8.172 1.00 0.00 C ATOM 846 CG LYS A 60 14.632 -1.761 -7.615 1.00 0.00 C ATOM 847 CD LYS A 60 15.662 -1.736 -8.746 1.00 0.00 C ATOM 848 CE LYS A 60 16.777 -0.731 -8.451 1.00 0.00 C ATOM 849 NZ LYS A 60 17.744 -1.297 -7.484 1.00 0.00 N ATOM 0 H LYS A 60 11.324 -3.361 -7.744 1.00 0.00 H new ATOM 0 HA LYS A 60 12.742 -1.532 -6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.032 -2.805 -8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.090 -1.088 -8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.744 -0.871 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.814 -2.621 -6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.089 -2.730 -8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.171 -1.475 -9.684 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.291 -0.467 -9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 60 16.349 0.188 -8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 18.494 -0.601 -7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.253 -1.526 -6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 18.165 -2.161 -7.880 1.00 0.00 H new ATOM 863 N GLU A 61 10.477 -0.210 -8.107 1.00 0.00 N ATOM 864 CA GLU A 61 9.702 0.996 -8.344 1.00 0.00 C ATOM 865 C GLU A 61 8.249 0.787 -7.911 1.00 0.00 C ATOM 866 O GLU A 61 7.776 -0.346 -7.841 1.00 0.00 O ATOM 867 CB GLU A 61 9.781 1.419 -9.812 1.00 0.00 C ATOM 868 CG GLU A 61 11.234 1.465 -10.292 1.00 0.00 C ATOM 869 CD GLU A 61 11.720 2.910 -10.429 1.00 0.00 C ATOM 870 OE1 GLU A 61 12.245 3.430 -9.421 1.00 0.00 O ATOM 871 OE2 GLU A 61 11.555 3.461 -11.539 1.00 0.00 O ATOM 0 H GLU A 61 10.207 -1.010 -8.679 1.00 0.00 H new ATOM 0 HA GLU A 61 10.127 1.801 -7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.213 0.720 -10.427 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.322 2.400 -9.937 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.871 0.928 -9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.320 0.956 -11.252 1.00 0.00 H new ATOM 878 N PRO A 62 7.565 1.928 -7.626 1.00 0.00 N ATOM 879 CA PRO A 62 6.176 1.880 -7.202 1.00 0.00 C ATOM 880 C PRO A 62 5.252 1.581 -8.384 1.00 0.00 C ATOM 881 O PRO A 62 5.304 2.264 -9.406 1.00 0.00 O ATOM 882 CB PRO A 62 5.911 3.237 -6.570 1.00 0.00 C ATOM 883 CG PRO A 62 7.012 4.155 -7.077 1.00 0.00 C ATOM 884 CD PRO A 62 8.094 3.287 -7.699 1.00 0.00 C ATOM 0 HA PRO A 62 5.981 1.078 -6.490 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.928 3.614 -6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.927 3.171 -5.482 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.616 4.856 -7.812 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.422 4.748 -6.259 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.293 3.580 -8.730 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.035 3.376 -7.155 1.00 0.00 H new ATOM 892 N VAL A 63 4.427 0.559 -8.205 1.00 0.00 N ATOM 893 CA VAL A 63 3.493 0.161 -9.244 1.00 0.00 C ATOM 894 C VAL A 63 2.491 1.292 -9.484 1.00 0.00 C ATOM 895 O VAL A 63 2.546 2.326 -8.821 1.00 0.00 O ATOM 896 CB VAL A 63 2.823 -1.162 -8.866 1.00 0.00 C ATOM 897 CG1 VAL A 63 3.859 -2.278 -8.716 1.00 0.00 C ATOM 898 CG2 VAL A 63 1.991 -1.010 -7.592 1.00 0.00 C ATOM 0 H VAL A 63 4.386 -0.005 -7.356 1.00 0.00 H new ATOM 0 HA VAL A 63 4.018 -0.013 -10.184 1.00 0.00 H new ATOM 0 HB VAL A 63 2.148 -1.439 -9.675 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.357 -3.207 -8.447 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.389 -2.412 -9.659 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.571 -2.011 -7.935 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.526 -1.964 -7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.637 -0.698 -6.771 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.217 -0.259 -7.750 1.00 0.00 H new ATOM 908 N GLU A 64 1.598 1.057 -10.434 1.00 0.00 N ATOM 909 CA GLU A 64 0.585 2.043 -10.770 1.00 0.00 C ATOM 910 C GLU A 64 -0.794 1.564 -10.311 1.00 0.00 C ATOM 911 O GLU A 64 -1.610 2.361 -9.851 1.00 0.00 O ATOM 912 CB GLU A 64 0.590 2.345 -12.269 1.00 0.00 C ATOM 913 CG GLU A 64 0.526 1.055 -13.089 1.00 0.00 C ATOM 914 CD GLU A 64 0.080 1.339 -14.525 1.00 0.00 C ATOM 915 OE1 GLU A 64 -1.150 1.391 -14.738 1.00 0.00 O ATOM 916 OE2 GLU A 64 0.980 1.499 -15.378 1.00 0.00 O ATOM 0 H GLU A 64 1.555 0.198 -10.982 1.00 0.00 H new ATOM 0 HA GLU A 64 0.819 2.970 -10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.259 2.981 -12.518 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.491 2.901 -12.529 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.505 0.576 -13.097 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.167 0.356 -12.621 1.00 0.00 H new ATOM 923 N ARG A 65 -1.011 0.265 -10.453 1.00 0.00 N ATOM 924 CA ARG A 65 -2.277 -0.329 -10.059 1.00 0.00 C ATOM 925 C ARG A 65 -2.255 -0.689 -8.572 1.00 0.00 C ATOM 926 O ARG A 65 -1.190 -0.749 -7.960 1.00 0.00 O ATOM 927 CB ARG A 65 -2.573 -1.588 -10.877 1.00 0.00 C ATOM 928 CG ARG A 65 -3.096 -1.227 -12.269 1.00 0.00 C ATOM 929 CD ARG A 65 -4.237 -2.159 -12.684 1.00 0.00 C ATOM 930 NE ARG A 65 -5.195 -1.432 -13.546 1.00 0.00 N ATOM 931 CZ ARG A 65 -6.291 -1.985 -14.084 1.00 0.00 C ATOM 932 NH1 ARG A 65 -6.573 -3.274 -13.852 1.00 0.00 N ATOM 933 NH2 ARG A 65 -7.104 -1.248 -14.854 1.00 0.00 N ATOM 0 H ARG A 65 -0.332 -0.393 -10.835 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.060 0.405 -10.247 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.667 -2.187 -10.969 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.309 -2.200 -10.356 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.445 -0.194 -12.274 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.285 -1.293 -12.995 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.837 -3.022 -13.217 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.747 -2.539 -11.799 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.010 -0.449 -13.743 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.954 -3.834 -13.266 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.407 -3.695 -14.261 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.888 -0.267 -15.030 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.938 -1.668 -15.264 1.00 0.00 H new ATOM 947 N CYS A 66 -3.444 -0.920 -8.034 1.00 0.00 N ATOM 948 CA CYS A 66 -3.574 -1.272 -6.630 1.00 0.00 C ATOM 949 C CYS A 66 -3.386 -2.785 -6.495 1.00 0.00 C ATOM 950 O CYS A 66 -4.281 -3.486 -6.025 1.00 0.00 O ATOM 951 CB CYS A 66 -4.913 -0.810 -6.053 1.00 0.00 C ATOM 952 SG CYS A 66 -5.173 0.964 -6.418 1.00 0.00 S ATOM 0 H CYS A 66 -4.325 -0.870 -8.545 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.807 -0.758 -6.051 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.725 -1.400 -6.479 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.930 -0.974 -4.976 1.00 0.00 H new ATOM 0 HG CYS A 66 -6.417 1.164 -6.737 1.00 0.00 H new ATOM 958 N GLY A 67 -2.216 -3.243 -6.915 1.00 0.00 N ATOM 959 CA GLY A 67 -1.899 -4.660 -6.847 1.00 0.00 C ATOM 960 C GLY A 67 -0.501 -4.936 -7.402 1.00 0.00 C ATOM 961 O GLY A 67 0.001 -4.182 -8.234 1.00 0.00 O ATOM 0 H GLY A 67 -1.476 -2.658 -7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.957 -5.000 -5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.637 -5.229 -7.412 1.00 0.00 H new ATOM 965 N PHE A 68 0.090 -6.019 -6.918 1.00 0.00 N ATOM 966 CA PHE A 68 1.421 -6.405 -7.355 1.00 0.00 C ATOM 967 C PHE A 68 1.640 -7.909 -7.185 1.00 0.00 C ATOM 968 O PHE A 68 0.851 -8.584 -6.526 1.00 0.00 O ATOM 969 CB PHE A 68 2.417 -5.653 -6.471 1.00 0.00 C ATOM 970 CG PHE A 68 3.882 -5.885 -6.847 1.00 0.00 C ATOM 971 CD1 PHE A 68 4.386 -5.341 -7.986 1.00 0.00 C ATOM 972 CD2 PHE A 68 4.680 -6.637 -6.041 1.00 0.00 C ATOM 973 CE1 PHE A 68 5.746 -5.557 -8.335 1.00 0.00 C ATOM 974 CE2 PHE A 68 6.039 -6.853 -6.390 1.00 0.00 C ATOM 975 CZ PHE A 68 6.543 -6.308 -7.529 1.00 0.00 C ATOM 0 H PHE A 68 -0.329 -6.641 -6.227 1.00 0.00 H new ATOM 0 HA PHE A 68 1.551 -6.164 -8.410 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.203 -4.586 -6.527 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.267 -5.954 -5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.753 -4.744 -8.626 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.279 -7.069 -5.136 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.147 -5.125 -9.240 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.672 -7.450 -5.751 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.577 -6.472 -7.794 1.00 0.00 H new ATOM 985 N THR A 69 2.715 -8.391 -7.791 1.00 0.00 N ATOM 986 CA THR A 69 3.048 -9.803 -7.715 1.00 0.00 C ATOM 987 C THR A 69 4.484 -9.987 -7.222 1.00 0.00 C ATOM 988 O THR A 69 5.434 -9.793 -7.979 1.00 0.00 O ATOM 989 CB THR A 69 2.793 -10.424 -9.090 1.00 0.00 C ATOM 990 OG1 THR A 69 1.410 -10.764 -9.067 1.00 0.00 O ATOM 991 CG2 THR A 69 3.504 -11.767 -9.267 1.00 0.00 C ATOM 0 H THR A 69 3.367 -7.828 -8.337 1.00 0.00 H new ATOM 0 HA THR A 69 2.420 -10.318 -6.988 1.00 0.00 H new ATOM 0 HB THR A 69 3.123 -9.734 -9.866 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.159 -11.172 -9.922 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.290 -12.164 -10.259 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.579 -11.627 -9.157 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.150 -12.468 -8.511 1.00 0.00 H new ATOM 999 N VAL A 70 4.598 -10.358 -5.956 1.00 0.00 N ATOM 1000 CA VAL A 70 5.903 -10.570 -5.352 1.00 0.00 C ATOM 1001 C VAL A 70 6.442 -11.937 -5.780 1.00 0.00 C ATOM 1002 O VAL A 70 5.745 -12.945 -5.671 1.00 0.00 O ATOM 1003 CB VAL A 70 5.809 -10.414 -3.833 1.00 0.00 C ATOM 1004 CG1 VAL A 70 7.197 -10.446 -3.192 1.00 0.00 C ATOM 1005 CG2 VAL A 70 5.062 -9.132 -3.460 1.00 0.00 C ATOM 0 H VAL A 70 3.808 -10.518 -5.331 1.00 0.00 H new ATOM 0 HA VAL A 70 6.611 -9.817 -5.699 1.00 0.00 H new ATOM 0 HB VAL A 70 5.241 -11.259 -3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.102 -10.333 -2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.679 -11.397 -3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.801 -9.630 -3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.009 -9.045 -2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.591 -8.271 -3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.053 -9.166 -3.871 1.00 0.00 H new ATOM 1015 N LYS A 71 7.678 -11.927 -6.258 1.00 0.00 N ATOM 1016 CA LYS A 71 8.318 -13.153 -6.702 1.00 0.00 C ATOM 1017 C LYS A 71 9.617 -13.358 -5.920 1.00 0.00 C ATOM 1018 O LYS A 71 9.981 -12.529 -5.087 1.00 0.00 O ATOM 1019 CB LYS A 71 8.510 -13.138 -8.220 1.00 0.00 C ATOM 1020 CG LYS A 71 9.620 -12.164 -8.622 1.00 0.00 C ATOM 1021 CD LYS A 71 9.123 -11.171 -9.675 1.00 0.00 C ATOM 1022 CE LYS A 71 8.329 -11.885 -10.771 1.00 0.00 C ATOM 1023 NZ LYS A 71 8.607 -11.277 -12.091 1.00 0.00 N ATOM 0 H LYS A 71 8.253 -11.089 -6.347 1.00 0.00 H new ATOM 0 HA LYS A 71 7.681 -14.012 -6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.757 -14.141 -8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.577 -12.852 -8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.970 -11.623 -7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.472 -12.720 -9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.496 -10.416 -9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.972 -10.649 -10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.592 -12.943 -10.788 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.263 -11.825 -10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.060 -11.773 -12.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.334 -10.274 -12.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.622 -11.357 -12.303 1.00 0.00 H new ATOM 1037 N ASP A 72 10.280 -14.466 -6.215 1.00 0.00 N ATOM 1038 CA ASP A 72 11.530 -14.790 -5.550 1.00 0.00 C ATOM 1039 C ASP A 72 11.284 -14.922 -4.046 1.00 0.00 C ATOM 1040 O ASP A 72 11.750 -14.097 -3.262 1.00 0.00 O ATOM 1041 CB ASP A 72 12.569 -13.688 -5.764 1.00 0.00 C ATOM 1042 CG ASP A 72 13.492 -13.893 -6.967 1.00 0.00 C ATOM 1043 OD1 ASP A 72 14.293 -14.851 -6.911 1.00 0.00 O ATOM 1044 OD2 ASP A 72 13.375 -13.088 -7.916 1.00 0.00 O ATOM 0 H ASP A 72 9.975 -15.151 -6.906 1.00 0.00 H new ATOM 0 HA ASP A 72 11.903 -15.724 -5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.049 -12.737 -5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.181 -13.607 -4.866 1.00 0.00 H new ATOM 1049 N LEU A 73 10.551 -15.967 -3.688 1.00 0.00 N ATOM 1050 CA LEU A 73 10.237 -16.217 -2.292 1.00 0.00 C ATOM 1051 C LEU A 73 10.501 -17.689 -1.970 1.00 0.00 C ATOM 1052 O LEU A 73 10.345 -18.554 -2.831 1.00 0.00 O ATOM 1053 CB LEU A 73 8.810 -15.764 -1.974 1.00 0.00 C ATOM 1054 CG LEU A 73 8.403 -14.395 -2.522 1.00 0.00 C ATOM 1055 CD1 LEU A 73 6.883 -14.287 -2.653 1.00 0.00 C ATOM 1056 CD2 LEU A 73 8.987 -13.267 -1.668 1.00 0.00 C ATOM 0 H LEU A 73 10.166 -16.650 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 73 10.886 -15.627 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.118 -16.510 -2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.687 -15.751 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 73 8.820 -14.290 -3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.620 -13.304 -3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.521 -15.057 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.423 -14.422 -1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.683 -12.304 -2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.620 -13.357 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.075 -13.335 -1.670 1.00 0.00 H new ATOM 1068 N PRO A 74 10.906 -17.936 -0.696 1.00 0.00 N ATOM 1069 CA PRO A 74 11.193 -19.288 -0.250 1.00 0.00 C ATOM 1070 C PRO A 74 9.902 -20.079 -0.029 1.00 0.00 C ATOM 1071 O PRO A 74 9.079 -19.708 0.806 1.00 0.00 O ATOM 1072 CB PRO A 74 12.011 -19.119 1.020 1.00 0.00 C ATOM 1073 CG PRO A 74 11.758 -17.696 1.492 1.00 0.00 C ATOM 1074 CD PRO A 74 11.101 -16.937 0.351 1.00 0.00 C ATOM 0 HA PRO A 74 11.747 -19.866 -0.990 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.709 -19.842 1.778 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.071 -19.284 0.827 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.115 -17.694 2.372 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.694 -17.217 1.780 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.153 -16.499 0.661 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.732 -16.119 0.005 1.00 0.00 H new ATOM 1082 N THR A 75 9.765 -21.153 -0.792 1.00 0.00 N ATOM 1083 CA THR A 75 8.588 -21.999 -0.690 1.00 0.00 C ATOM 1084 C THR A 75 8.464 -22.571 0.724 1.00 0.00 C ATOM 1085 O THR A 75 9.337 -23.309 1.178 1.00 0.00 O ATOM 1086 CB THR A 75 8.682 -23.073 -1.774 1.00 0.00 C ATOM 1087 OG1 THR A 75 8.732 -22.335 -2.992 1.00 0.00 O ATOM 1088 CG2 THR A 75 7.400 -23.900 -1.892 1.00 0.00 C ATOM 0 H THR A 75 10.450 -21.457 -1.484 1.00 0.00 H new ATOM 0 HA THR A 75 7.675 -21.428 -0.857 1.00 0.00 H new ATOM 0 HB THR A 75 9.522 -23.734 -1.558 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.940 -21.762 -3.060 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.520 -24.648 -2.676 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.200 -24.398 -0.943 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.566 -23.244 -2.141 1.00 0.00 H new ATOM 1096 N GLY A 76 7.371 -22.208 1.380 1.00 0.00 N ATOM 1097 CA GLY A 76 7.121 -22.677 2.733 1.00 0.00 C ATOM 1098 C GLY A 76 7.864 -21.816 3.757 1.00 0.00 C ATOM 1099 O GLY A 76 8.618 -22.335 4.579 1.00 0.00 O ATOM 0 H GLY A 76 6.649 -21.595 1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.051 -22.651 2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.439 -23.715 2.826 1.00 0.00 H new ATOM 1103 N ALA A 77 7.624 -20.516 3.675 1.00 0.00 N ATOM 1104 CA ALA A 77 8.260 -19.578 4.584 1.00 0.00 C ATOM 1105 C ALA A 77 7.255 -18.495 4.979 1.00 0.00 C ATOM 1106 O ALA A 77 6.596 -17.911 4.120 1.00 0.00 O ATOM 1107 CB ALA A 77 9.513 -18.998 3.925 1.00 0.00 C ATOM 0 H ALA A 77 6.997 -20.090 2.992 1.00 0.00 H new ATOM 0 HA ALA A 77 8.576 -20.083 5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.990 -18.294 4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.208 -19.805 3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.235 -18.481 3.006 1.00 0.00 H new ATOM 1113 N ARG A 78 7.168 -18.259 6.280 1.00 0.00 N ATOM 1114 CA ARG A 78 6.253 -17.257 6.800 1.00 0.00 C ATOM 1115 C ARG A 78 6.804 -15.853 6.544 1.00 0.00 C ATOM 1116 O ARG A 78 7.655 -15.370 7.289 1.00 0.00 O ATOM 1117 CB ARG A 78 6.028 -17.442 8.302 1.00 0.00 C ATOM 1118 CG ARG A 78 4.810 -18.330 8.568 1.00 0.00 C ATOM 1119 CD ARG A 78 5.239 -19.731 9.007 1.00 0.00 C ATOM 1120 NE ARG A 78 4.139 -20.694 8.771 1.00 0.00 N ATOM 1121 CZ ARG A 78 4.213 -22.002 9.052 1.00 0.00 C ATOM 1122 NH1 ARG A 78 5.333 -22.512 9.582 1.00 0.00 N ATOM 1123 NH2 ARG A 78 3.165 -22.800 8.804 1.00 0.00 N ATOM 0 H ARG A 78 7.716 -18.745 6.990 1.00 0.00 H new ATOM 0 HA ARG A 78 5.301 -17.378 6.284 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.914 -17.888 8.754 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.884 -16.470 8.774 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.187 -17.878 9.340 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.201 -18.398 7.667 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.127 -20.038 8.455 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.507 -19.724 10.064 1.00 0.00 H new ATOM 0 HE ARG A 78 3.271 -20.339 8.370 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.130 -21.904 9.772 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.389 -23.508 9.796 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.312 -22.411 8.402 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.220 -23.796 9.018 1.00 0.00 H new ATOM 1137 N ILE A 79 6.296 -15.236 5.486 1.00 0.00 N ATOM 1138 CA ILE A 79 6.726 -13.897 5.122 1.00 0.00 C ATOM 1139 C ILE A 79 5.535 -12.941 5.214 1.00 0.00 C ATOM 1140 O ILE A 79 4.419 -13.296 4.839 1.00 0.00 O ATOM 1141 CB ILE A 79 7.403 -13.906 3.750 1.00 0.00 C ATOM 1142 CG1 ILE A 79 8.520 -14.951 3.697 1.00 0.00 C ATOM 1143 CG2 ILE A 79 7.906 -12.510 3.378 1.00 0.00 C ATOM 1144 CD1 ILE A 79 9.053 -15.112 2.272 1.00 0.00 C ATOM 0 H ILE A 79 5.591 -15.640 4.870 1.00 0.00 H new ATOM 0 HA ILE A 79 7.480 -13.536 5.821 1.00 0.00 H new ATOM 0 HB ILE A 79 6.661 -14.190 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.332 -14.655 4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.145 -15.908 4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.383 -12.544 2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.066 -11.816 3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.628 -12.173 4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.846 -15.860 2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.244 -15.432 1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.450 -14.159 1.922 1.00 0.00 H new ATOM 1156 N LEU A 80 5.814 -11.746 5.714 1.00 0.00 N ATOM 1157 CA LEU A 80 4.779 -10.736 5.860 1.00 0.00 C ATOM 1158 C LEU A 80 4.945 -9.682 4.764 1.00 0.00 C ATOM 1159 O LEU A 80 6.050 -9.199 4.524 1.00 0.00 O ATOM 1160 CB LEU A 80 4.791 -10.158 7.276 1.00 0.00 C ATOM 1161 CG LEU A 80 4.149 -11.027 8.360 1.00 0.00 C ATOM 1162 CD1 LEU A 80 4.537 -10.536 9.757 1.00 0.00 C ATOM 1163 CD2 LEU A 80 2.632 -11.098 8.179 1.00 0.00 C ATOM 0 H LEU A 80 6.741 -11.454 6.023 1.00 0.00 H new ATOM 0 HA LEU A 80 3.792 -11.179 5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.825 -9.964 7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.279 -9.196 7.259 1.00 0.00 H new ATOM 0 HG LEU A 80 4.533 -12.042 8.256 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.068 -11.170 10.509 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.620 -10.580 9.870 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.200 -9.508 9.888 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.201 -11.722 8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.211 -10.095 8.241 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.402 -11.529 7.205 1.00 0.00 H new ATOM 1175 N PHE A 81 3.829 -9.355 4.128 1.00 0.00 N ATOM 1176 CA PHE A 81 3.836 -8.366 3.063 1.00 0.00 C ATOM 1177 C PHE A 81 3.244 -7.040 3.543 1.00 0.00 C ATOM 1178 O PHE A 81 2.279 -7.027 4.306 1.00 0.00 O ATOM 1179 CB PHE A 81 2.967 -8.921 1.933 1.00 0.00 C ATOM 1180 CG PHE A 81 3.503 -10.212 1.311 1.00 0.00 C ATOM 1181 CD1 PHE A 81 4.805 -10.291 0.924 1.00 0.00 C ATOM 1182 CD2 PHE A 81 2.679 -11.281 1.146 1.00 0.00 C ATOM 1183 CE1 PHE A 81 5.302 -11.489 0.347 1.00 0.00 C ATOM 1184 CE2 PHE A 81 3.176 -12.479 0.570 1.00 0.00 C ATOM 1185 CZ PHE A 81 4.478 -12.558 0.182 1.00 0.00 C ATOM 0 H PHE A 81 2.914 -9.758 4.330 1.00 0.00 H new ATOM 0 HA PHE A 81 4.858 -8.178 2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.964 -9.104 2.317 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.877 -8.165 1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.460 -9.443 1.056 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.646 -11.218 1.454 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.335 -11.551 0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.521 -13.328 0.440 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.857 -13.469 -0.257 1.00 0.00 H new ATOM 1195 N ARG A 82 3.846 -5.956 3.075 1.00 0.00 N ATOM 1196 CA ARG A 82 3.390 -4.628 3.446 1.00 0.00 C ATOM 1197 C ARG A 82 3.391 -3.705 2.226 1.00 0.00 C ATOM 1198 O ARG A 82 4.265 -3.808 1.366 1.00 0.00 O ATOM 1199 CB ARG A 82 4.280 -4.024 4.534 1.00 0.00 C ATOM 1200 CG ARG A 82 5.708 -3.820 4.023 1.00 0.00 C ATOM 1201 CD ARG A 82 6.169 -2.378 4.244 1.00 0.00 C ATOM 1202 NE ARG A 82 7.454 -2.364 4.979 1.00 0.00 N ATOM 1203 CZ ARG A 82 8.338 -1.358 4.927 1.00 0.00 C ATOM 1204 NH1 ARG A 82 8.082 -0.279 4.176 1.00 0.00 N ATOM 1205 NH2 ARG A 82 9.478 -1.432 5.627 1.00 0.00 N ATOM 0 H ARG A 82 4.646 -5.971 2.442 1.00 0.00 H new ATOM 0 HA ARG A 82 2.375 -4.723 3.833 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.866 -3.069 4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.292 -4.679 5.405 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.383 -4.504 4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.756 -4.062 2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.284 -1.873 3.285 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.414 -1.828 4.805 1.00 0.00 H new ATOM 0 HE ARG A 82 7.681 -3.170 5.561 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.214 -0.223 3.643 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.755 0.486 4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.673 -2.254 6.199 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.151 -0.667 5.588 1.00 0.00 H new ATOM 1219 N VAL A 83 2.401 -2.825 2.188 1.00 0.00 N ATOM 1220 CA VAL A 83 2.277 -1.885 1.087 1.00 0.00 C ATOM 1221 C VAL A 83 2.247 -0.459 1.640 1.00 0.00 C ATOM 1222 O VAL A 83 1.570 -0.188 2.631 1.00 0.00 O ATOM 1223 CB VAL A 83 1.047 -2.226 0.244 1.00 0.00 C ATOM 1224 CG1 VAL A 83 0.513 -0.985 -0.474 1.00 0.00 C ATOM 1225 CG2 VAL A 83 1.357 -3.345 -0.752 1.00 0.00 C ATOM 0 H VAL A 83 1.677 -2.743 2.902 1.00 0.00 H new ATOM 0 HA VAL A 83 3.139 -1.958 0.424 1.00 0.00 H new ATOM 0 HB VAL A 83 0.269 -2.584 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.361 -1.255 -1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.234 -0.231 0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.285 -0.584 -1.130 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.465 -3.568 -1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.159 -3.027 -1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.667 -4.239 -0.210 1.00 0.00 H new ATOM 1235 N VAL A 84 2.988 0.415 0.975 1.00 0.00 N ATOM 1236 CA VAL A 84 3.054 1.807 1.388 1.00 0.00 C ATOM 1237 C VAL A 84 2.931 2.706 0.156 1.00 0.00 C ATOM 1238 O VAL A 84 3.576 2.462 -0.862 1.00 0.00 O ATOM 1239 CB VAL A 84 4.337 2.056 2.184 1.00 0.00 C ATOM 1240 CG1 VAL A 84 4.178 1.600 3.636 1.00 0.00 C ATOM 1241 CG2 VAL A 84 5.534 1.372 1.522 1.00 0.00 C ATOM 0 H VAL A 84 3.548 0.187 0.153 1.00 0.00 H new ATOM 0 HA VAL A 84 2.224 2.049 2.051 1.00 0.00 H new ATOM 0 HB VAL A 84 4.526 3.130 2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.104 1.788 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.364 2.153 4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.953 0.534 3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.433 1.565 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.357 0.298 1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.666 1.765 0.514 1.00 0.00 H new ATOM 1251 N GLY A 85 2.097 3.727 0.289 1.00 0.00 N ATOM 1252 CA GLY A 85 1.881 4.664 -0.800 1.00 0.00 C ATOM 1253 C GLY A 85 2.959 5.749 -0.812 1.00 0.00 C ATOM 1254 O GLY A 85 3.068 6.532 0.130 1.00 0.00 O ATOM 0 H GLY A 85 1.563 3.926 1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.887 4.130 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.898 5.124 -0.699 1.00 0.00 H new ATOM 1258 N VAL A 86 3.729 5.761 -1.890 1.00 0.00 N ATOM 1259 CA VAL A 86 4.796 6.737 -2.038 1.00 0.00 C ATOM 1260 C VAL A 86 4.249 7.980 -2.742 1.00 0.00 C ATOM 1261 O VAL A 86 3.215 7.918 -3.406 1.00 0.00 O ATOM 1262 CB VAL A 86 5.983 6.109 -2.770 1.00 0.00 C ATOM 1263 CG1 VAL A 86 6.711 5.105 -1.873 1.00 0.00 C ATOM 1264 CG2 VAL A 86 5.536 5.452 -4.077 1.00 0.00 C ATOM 0 H VAL A 86 3.635 5.110 -2.670 1.00 0.00 H new ATOM 0 HA VAL A 86 5.164 7.051 -1.061 1.00 0.00 H new ATOM 0 HB VAL A 86 6.683 6.906 -3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.551 4.673 -2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.079 5.613 -0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.022 4.313 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.399 5.013 -4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.806 4.672 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.083 6.202 -4.725 1.00 0.00 H new ATOM 1274 N ASN A 87 4.968 9.081 -2.574 1.00 0.00 N ATOM 1275 CA ASN A 87 4.568 10.337 -3.185 1.00 0.00 C ATOM 1276 C ASN A 87 5.534 11.441 -2.752 1.00 0.00 C ATOM 1277 O ASN A 87 6.493 11.181 -2.027 1.00 0.00 O ATOM 1278 CB ASN A 87 3.160 10.740 -2.744 1.00 0.00 C ATOM 1279 CG ASN A 87 3.018 10.661 -1.222 1.00 0.00 C ATOM 1280 OD1 ASN A 87 3.576 9.797 -0.566 1.00 0.00 O ATOM 1281 ND2 ASN A 87 2.243 11.607 -0.701 1.00 0.00 N ATOM 0 H ASN A 87 5.825 9.129 -2.023 1.00 0.00 H new ATOM 0 HA ASN A 87 4.583 10.205 -4.267 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.946 11.754 -3.081 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.426 10.086 -3.216 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.085 11.640 0.306 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.806 12.300 -1.308 1.00 0.00 H new ATOM 1288 N ILE A 88 5.248 12.649 -3.214 1.00 0.00 N ATOM 1289 CA ILE A 88 6.080 13.793 -2.883 1.00 0.00 C ATOM 1290 C ILE A 88 6.205 13.904 -1.362 1.00 0.00 C ATOM 1291 O ILE A 88 7.289 14.167 -0.842 1.00 0.00 O ATOM 1292 CB ILE A 88 5.538 15.060 -3.549 1.00 0.00 C ATOM 1293 CG1 ILE A 88 6.584 16.177 -3.533 1.00 0.00 C ATOM 1294 CG2 ILE A 88 4.221 15.498 -2.906 1.00 0.00 C ATOM 1295 CD1 ILE A 88 6.690 16.848 -4.904 1.00 0.00 C ATOM 0 H ILE A 88 4.452 12.861 -3.815 1.00 0.00 H new ATOM 0 HA ILE A 88 7.087 13.658 -3.278 1.00 0.00 H new ATOM 0 HB ILE A 88 5.325 14.833 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.317 16.919 -2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.553 15.768 -3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.858 16.400 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.482 14.704 -3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.383 15.702 -1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.440 17.638 -4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.980 16.108 -5.650 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.725 17.277 -5.175 1.00 0.00 H new ATOM 1307 N ALA A 89 5.081 13.698 -0.691 1.00 0.00 N ATOM 1308 CA ALA A 89 5.052 13.772 0.760 1.00 0.00 C ATOM 1309 C ALA A 89 6.062 12.779 1.337 1.00 0.00 C ATOM 1310 O ALA A 89 6.748 13.081 2.313 1.00 0.00 O ATOM 1311 CB ALA A 89 3.628 13.510 1.256 1.00 0.00 C ATOM 0 H ALA A 89 4.184 13.480 -1.125 1.00 0.00 H new ATOM 0 HA ALA A 89 5.338 14.768 1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.606 13.565 2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.954 14.260 0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.308 12.518 0.937 1.00 0.00 H new ATOM 1317 N GLY A 90 6.123 11.613 0.710 1.00 0.00 N ATOM 1318 CA GLY A 90 7.038 10.574 1.149 1.00 0.00 C ATOM 1319 C GLY A 90 6.362 9.202 1.125 1.00 0.00 C ATOM 1320 O GLY A 90 6.093 8.657 0.055 1.00 0.00 O ATOM 0 H GLY A 90 5.553 11.365 -0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.916 10.562 0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.387 10.794 2.158 1.00 0.00 H new ATOM 1324 N ARG A 91 6.107 8.682 2.317 1.00 0.00 N ATOM 1325 CA ARG A 91 5.468 7.383 2.445 1.00 0.00 C ATOM 1326 C ARG A 91 4.357 7.441 3.496 1.00 0.00 C ATOM 1327 O ARG A 91 4.328 8.349 4.325 1.00 0.00 O ATOM 1328 CB ARG A 91 6.480 6.307 2.842 1.00 0.00 C ATOM 1329 CG ARG A 91 7.352 6.777 4.008 1.00 0.00 C ATOM 1330 CD ARG A 91 7.351 5.750 5.142 1.00 0.00 C ATOM 1331 NE ARG A 91 7.156 6.430 6.442 1.00 0.00 N ATOM 1332 CZ ARG A 91 6.890 5.794 7.590 1.00 0.00 C ATOM 1333 NH1 ARG A 91 6.784 4.458 7.607 1.00 0.00 N ATOM 1334 NH2 ARG A 91 6.729 6.493 8.722 1.00 0.00 N ATOM 0 H ARG A 91 6.331 9.136 3.202 1.00 0.00 H new ATOM 0 HA ARG A 91 5.044 7.125 1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.954 5.394 3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.111 6.063 1.987 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.372 6.940 3.661 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.985 7.734 4.379 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.558 5.020 4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.293 5.201 5.147 1.00 0.00 H new ATOM 0 HE ARG A 91 7.229 7.447 6.465 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.906 3.926 6.745 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.581 3.974 8.481 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.809 7.510 8.709 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.526 6.008 9.596 1.00 0.00 H new ATOM 1348 N SER A 92 3.470 6.459 3.428 1.00 0.00 N ATOM 1349 CA SER A 92 2.361 6.386 4.364 1.00 0.00 C ATOM 1350 C SER A 92 2.431 5.080 5.158 1.00 0.00 C ATOM 1351 O SER A 92 3.093 4.131 4.742 1.00 0.00 O ATOM 1352 CB SER A 92 1.019 6.494 3.636 1.00 0.00 C ATOM 1353 OG SER A 92 0.639 5.261 3.031 1.00 0.00 O ATOM 0 H SER A 92 3.497 5.707 2.739 1.00 0.00 H new ATOM 0 HA SER A 92 2.439 7.227 5.053 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.248 6.805 4.341 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.083 7.268 2.872 1.00 0.00 H new ATOM 0 HG SER A 92 -0.026 5.431 2.332 1.00 0.00 H new ATOM 1359 N GLU A 93 1.737 5.074 6.287 1.00 0.00 N ATOM 1360 CA GLU A 93 1.712 3.900 7.143 1.00 0.00 C ATOM 1361 C GLU A 93 1.572 2.631 6.299 1.00 0.00 C ATOM 1362 O GLU A 93 0.760 2.581 5.377 1.00 0.00 O ATOM 1363 CB GLU A 93 0.588 3.999 8.176 1.00 0.00 C ATOM 1364 CG GLU A 93 1.042 4.786 9.406 1.00 0.00 C ATOM 1365 CD GLU A 93 -0.079 4.874 10.445 1.00 0.00 C ATOM 1366 OE1 GLU A 93 -1.247 4.977 10.012 1.00 0.00 O ATOM 1367 OE2 GLU A 93 0.258 4.836 11.648 1.00 0.00 O ATOM 0 H GLU A 93 1.188 5.863 6.629 1.00 0.00 H new ATOM 0 HA GLU A 93 2.656 3.849 7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.280 4.484 7.729 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.275 2.999 8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.915 4.306 9.848 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.346 5.789 9.108 1.00 0.00 H new ATOM 1374 N PRO A 94 2.398 1.611 6.655 1.00 0.00 N ATOM 1375 CA PRO A 94 2.374 0.345 5.941 1.00 0.00 C ATOM 1376 C PRO A 94 1.140 -0.475 6.322 1.00 0.00 C ATOM 1377 O PRO A 94 0.874 -0.692 7.503 1.00 0.00 O ATOM 1378 CB PRO A 94 3.680 -0.340 6.311 1.00 0.00 C ATOM 1379 CG PRO A 94 4.170 0.351 7.573 1.00 0.00 C ATOM 1380 CD PRO A 94 3.373 1.634 7.742 1.00 0.00 C ATOM 0 HA PRO A 94 2.298 0.472 4.861 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.527 -1.405 6.483 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.410 -0.249 5.507 1.00 0.00 H new ATOM 0 HG2 PRO A 94 4.038 -0.297 8.439 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.235 0.570 7.499 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.881 1.670 8.714 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.017 2.511 7.678 1.00 0.00 H new ATOM 1388 N ALA A 95 0.419 -0.910 5.298 1.00 0.00 N ATOM 1389 CA ALA A 95 -0.780 -1.702 5.510 1.00 0.00 C ATOM 1390 C ALA A 95 -0.392 -3.172 5.683 1.00 0.00 C ATOM 1391 O ALA A 95 -0.939 -4.045 5.011 1.00 0.00 O ATOM 1392 CB ALA A 95 -1.747 -1.487 4.343 1.00 0.00 C ATOM 0 H ALA A 95 0.643 -0.729 4.320 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.292 -1.387 6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.647 -2.081 4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.015 -0.432 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.269 -1.794 3.413 1.00 0.00 H new ATOM 1398 N THR A 96 0.550 -3.400 6.587 1.00 0.00 N ATOM 1399 CA THR A 96 1.017 -4.749 6.856 1.00 0.00 C ATOM 1400 C THR A 96 -0.159 -5.726 6.879 1.00 0.00 C ATOM 1401 O THR A 96 -1.238 -5.394 7.367 1.00 0.00 O ATOM 1402 CB THR A 96 1.811 -4.722 8.164 1.00 0.00 C ATOM 1403 OG1 THR A 96 2.589 -3.531 8.073 1.00 0.00 O ATOM 1404 CG2 THR A 96 2.851 -5.841 8.241 1.00 0.00 C ATOM 0 H THR A 96 1.002 -2.673 7.142 1.00 0.00 H new ATOM 0 HA THR A 96 1.678 -5.104 6.065 1.00 0.00 H new ATOM 0 HB THR A 96 1.125 -4.806 9.007 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.134 -3.434 8.882 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.386 -5.776 9.188 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.352 -6.807 8.172 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.558 -5.738 7.418 1.00 0.00 H new ATOM 1412 N LEU A 97 0.089 -6.914 6.346 1.00 0.00 N ATOM 1413 CA LEU A 97 -0.937 -7.942 6.299 1.00 0.00 C ATOM 1414 C LEU A 97 -1.301 -8.357 7.726 1.00 0.00 C ATOM 1415 O LEU A 97 -0.480 -8.255 8.635 1.00 0.00 O ATOM 1416 CB LEU A 97 -0.487 -9.107 5.416 1.00 0.00 C ATOM 1417 CG LEU A 97 -0.797 -8.976 3.923 1.00 0.00 C ATOM 1418 CD1 LEU A 97 -0.089 -10.068 3.118 1.00 0.00 C ATOM 1419 CD2 LEU A 97 -2.307 -8.969 3.675 1.00 0.00 C ATOM 0 H LEU A 97 0.985 -7.187 5.943 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.845 -7.554 5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.589 -9.231 5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.956 -10.019 5.785 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.409 -8.018 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.326 -9.952 2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.988 -9.984 3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.424 -11.047 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.500 -8.875 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.740 -9.900 4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.758 -8.127 4.201 1.00 0.00 H new ATOM 1431 N LEU A 98 -2.535 -8.817 7.877 1.00 0.00 N ATOM 1432 CA LEU A 98 -3.018 -9.248 9.178 1.00 0.00 C ATOM 1433 C LEU A 98 -2.429 -10.622 9.507 1.00 0.00 C ATOM 1434 O LEU A 98 -2.332 -10.996 10.674 1.00 0.00 O ATOM 1435 CB LEU A 98 -4.547 -9.209 9.220 1.00 0.00 C ATOM 1436 CG LEU A 98 -5.180 -7.820 9.325 1.00 0.00 C ATOM 1437 CD1 LEU A 98 -6.668 -7.867 8.971 1.00 0.00 C ATOM 1438 CD2 LEU A 98 -4.939 -7.210 10.707 1.00 0.00 C ATOM 0 H LEU A 98 -3.214 -8.900 7.120 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.682 -8.562 9.956 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.928 -9.693 8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.883 -9.805 10.069 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.696 -7.169 8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.093 -6.867 9.054 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.788 -8.229 7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.184 -8.539 9.657 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.399 -6.223 10.754 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.379 -7.852 11.470 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.867 -7.119 10.883 1.00 0.00 H new ATOM 1450 N GLN A 99 -2.051 -11.335 8.456 1.00 0.00 N ATOM 1451 CA GLN A 99 -1.473 -12.658 8.619 1.00 0.00 C ATOM 1452 C GLN A 99 -0.332 -12.866 7.622 1.00 0.00 C ATOM 1453 O GLN A 99 -0.347 -12.302 6.529 1.00 0.00 O ATOM 1454 CB GLN A 99 -2.540 -13.744 8.464 1.00 0.00 C ATOM 1455 CG GLN A 99 -3.482 -13.764 9.670 1.00 0.00 C ATOM 1456 CD GLN A 99 -4.422 -14.970 9.613 1.00 0.00 C ATOM 1457 OE1 GLN A 99 -4.125 -15.993 9.018 1.00 0.00 O ATOM 1458 NE2 GLN A 99 -5.569 -14.793 10.262 1.00 0.00 N ATOM 0 H GLN A 99 -2.134 -11.022 7.489 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.066 -12.734 9.627 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.113 -13.568 7.553 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.061 -14.717 8.356 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.899 -13.796 10.590 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.066 -12.844 9.695 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.754 -13.911 10.740 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.264 -15.539 10.282 1.00 0.00 H new ATOM 1467 N PRO A 100 0.658 -13.697 8.046 1.00 0.00 N ATOM 1468 CA PRO A 100 1.805 -13.986 7.203 1.00 0.00 C ATOM 1469 C PRO A 100 1.429 -14.951 6.076 1.00 0.00 C ATOM 1470 O PRO A 100 0.301 -15.439 6.023 1.00 0.00 O ATOM 1471 CB PRO A 100 2.853 -14.554 8.146 1.00 0.00 C ATOM 1472 CG PRO A 100 2.100 -14.994 9.390 1.00 0.00 C ATOM 1473 CD PRO A 100 0.709 -14.382 9.334 1.00 0.00 C ATOM 0 HA PRO A 100 2.185 -13.101 6.693 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.376 -15.394 7.688 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.606 -13.805 8.390 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.037 -16.081 9.434 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.624 -14.669 10.289 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.064 -15.147 9.406 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.548 -13.688 10.159 1.00 0.00 H new ATOM 1481 N VAL A 101 2.395 -15.196 5.203 1.00 0.00 N ATOM 1482 CA VAL A 101 2.180 -16.094 4.081 1.00 0.00 C ATOM 1483 C VAL A 101 3.221 -17.214 4.122 1.00 0.00 C ATOM 1484 O VAL A 101 4.408 -16.956 4.314 1.00 0.00 O ATOM 1485 CB VAL A 101 2.200 -15.306 2.770 1.00 0.00 C ATOM 1486 CG1 VAL A 101 2.316 -16.246 1.568 1.00 0.00 C ATOM 1487 CG2 VAL A 101 0.966 -14.410 2.649 1.00 0.00 C ATOM 0 H VAL A 101 3.329 -14.788 5.250 1.00 0.00 H new ATOM 0 HA VAL A 101 1.198 -16.562 4.149 1.00 0.00 H new ATOM 0 HB VAL A 101 3.080 -14.663 2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.328 -15.661 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.238 -16.822 1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.464 -16.926 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.006 -13.861 1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.066 -15.025 2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.946 -13.705 3.480 1.00 0.00 H new ATOM 1497 N THR A 102 2.739 -18.434 3.939 1.00 0.00 N ATOM 1498 CA THR A 102 3.613 -19.595 3.953 1.00 0.00 C ATOM 1499 C THR A 102 4.283 -19.773 2.589 1.00 0.00 C ATOM 1500 O THR A 102 5.334 -20.405 2.488 1.00 0.00 O ATOM 1501 CB THR A 102 2.784 -20.806 4.386 1.00 0.00 C ATOM 1502 OG1 THR A 102 3.114 -20.978 5.761 1.00 0.00 O ATOM 1503 CG2 THR A 102 3.255 -22.103 3.725 1.00 0.00 C ATOM 0 H THR A 102 1.754 -18.644 3.780 1.00 0.00 H new ATOM 0 HA THR A 102 4.427 -19.469 4.667 1.00 0.00 H new ATOM 0 HB THR A 102 1.735 -20.634 4.143 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.619 -21.742 6.123 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.634 -22.931 4.066 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.173 -22.010 2.642 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.294 -22.293 3.996 1.00 0.00 H new ATOM 1511 N ILE A 103 3.649 -19.205 1.574 1.00 0.00 N ATOM 1512 CA ILE A 103 4.171 -19.294 0.221 1.00 0.00 C ATOM 1513 C ILE A 103 4.093 -20.745 -0.257 1.00 0.00 C ATOM 1514 O ILE A 103 4.942 -21.564 0.093 1.00 0.00 O ATOM 1515 CB ILE A 103 5.578 -18.697 0.150 1.00 0.00 C ATOM 1516 CG1 ILE A 103 5.602 -17.279 0.724 1.00 0.00 C ATOM 1517 CG2 ILE A 103 6.122 -18.746 -1.280 1.00 0.00 C ATOM 1518 CD1 ILE A 103 4.783 -16.322 -0.144 1.00 0.00 C ATOM 0 H ILE A 103 2.778 -18.681 1.661 1.00 0.00 H new ATOM 0 HA ILE A 103 3.563 -18.701 -0.462 1.00 0.00 H new ATOM 0 HB ILE A 103 6.239 -19.305 0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.203 -17.287 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.631 -16.926 0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.123 -18.316 -1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.164 -19.781 -1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.467 -18.176 -1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.817 -15.321 0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.199 -16.298 -1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.749 -16.664 -0.187 1.00 0.00 H new ATOM 1530 N ARG A 104 3.067 -21.020 -1.048 1.00 0.00 N ATOM 1531 CA ARG A 104 2.867 -22.359 -1.577 1.00 0.00 C ATOM 1532 C ARG A 104 1.634 -22.393 -2.482 1.00 0.00 C ATOM 1533 O ARG A 104 0.655 -21.693 -2.229 1.00 0.00 O ATOM 1534 CB ARG A 104 2.693 -23.377 -0.449 1.00 0.00 C ATOM 1535 CG ARG A 104 3.946 -24.239 -0.290 1.00 0.00 C ATOM 1536 CD ARG A 104 4.490 -24.158 1.138 1.00 0.00 C ATOM 1537 NE ARG A 104 3.847 -25.188 1.984 1.00 0.00 N ATOM 1538 CZ ARG A 104 4.094 -26.502 1.887 1.00 0.00 C ATOM 1539 NH1 ARG A 104 4.972 -26.953 0.982 1.00 0.00 N ATOM 1540 NH2 ARG A 104 3.464 -27.364 2.697 1.00 0.00 N ATOM 0 H ARG A 104 2.365 -20.339 -1.336 1.00 0.00 H new ATOM 0 HA ARG A 104 3.753 -22.623 -2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.484 -22.857 0.486 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.833 -24.014 -0.658 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.713 -25.275 -0.536 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.710 -23.909 -0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.570 -24.302 1.133 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.303 -23.167 1.552 1.00 0.00 H new ATOM 0 HE ARG A 104 3.174 -24.879 2.685 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.453 -26.297 0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.160 -27.953 0.908 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.796 -27.020 3.387 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.652 -28.364 2.623 1.00 0.00 H new ATOM 1554 N GLU A 105 1.722 -23.215 -3.518 1.00 0.00 N ATOM 1555 CA GLU A 105 0.625 -23.351 -4.461 1.00 0.00 C ATOM 1556 C GLU A 105 -0.275 -24.522 -4.064 1.00 0.00 C ATOM 1557 O GLU A 105 0.191 -25.495 -3.473 1.00 0.00 O ATOM 1558 CB GLU A 105 1.148 -23.521 -5.889 1.00 0.00 C ATOM 1559 CG GLU A 105 0.057 -23.203 -6.913 1.00 0.00 C ATOM 1560 CD GLU A 105 -0.229 -24.415 -7.803 1.00 0.00 C ATOM 1561 OE1 GLU A 105 0.573 -24.637 -8.735 1.00 0.00 O ATOM 1562 OE2 GLU A 105 -1.244 -25.092 -7.530 1.00 0.00 O ATOM 0 H GLU A 105 2.536 -23.793 -3.725 1.00 0.00 H new ATOM 0 HA GLU A 105 0.032 -22.437 -4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.003 -22.864 -6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.500 -24.543 -6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.855 -22.903 -6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.367 -22.359 -7.530 1.00 0.00 H new