USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 606 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 72 SER OG : rot -71:sc= 1.15 USER MOD Set 1.2: A 97 THR OG1 : rot -159:sc= 0.773 USER MOD Set 2.1: A 32 ASN :FLIP amide:sc= 0.0877 F(o=0.048,f=0.99) USER MOD Set 2.2: A 39 TYR OH : rot 170:sc= 0.905 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 23 SER OG : rot 180:sc= -0.159 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -160:sc= -0.37 USER MOD Single : A 25 THR OG1 : rot -150:sc= -0.92 USER MOD Single : A 27 THR OG1 : rot -24:sc= 1.26 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.898 F(o=-1.7!,f=-0.9) USER MOD Single : A 60 THR OG1 : rot 114:sc= 0.31 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 25:sc= 0.0884 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -4.65! C(o=-4.6!,f=-24!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 122:sc= 0.999 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 16.784 -14.838 2.856 1.00 0.00 N ATOM 60 CA GLY A 7 16.751 -13.751 1.895 1.00 0.00 C ATOM 61 C GLY A 7 17.043 -12.406 2.531 1.00 0.00 C ATOM 62 O GLY A 7 17.652 -12.319 3.597 1.00 0.00 O ATOM 0 HA2 GLY A 7 17.480 -13.943 1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.770 -13.720 1.420 1.00 0.00 H new ATOM 66 N PRO A 8 16.604 -11.326 1.868 1.00 0.00 N ATOM 67 CA PRO A 8 16.812 -9.959 2.356 1.00 0.00 C ATOM 68 C PRO A 8 15.982 -9.655 3.598 1.00 0.00 C ATOM 69 O PRO A 8 15.229 -10.503 4.078 1.00 0.00 O ATOM 70 CB PRO A 8 16.355 -9.090 1.182 1.00 0.00 C ATOM 71 CG PRO A 8 15.386 -9.941 0.435 1.00 0.00 C ATOM 72 CD PRO A 8 15.871 -11.355 0.591 1.00 0.00 C ATOM 0 HA PRO A 8 17.846 -9.786 2.655 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.887 -8.169 1.530 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.196 -8.802 0.552 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.378 -9.828 0.835 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.346 -9.656 -0.616 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.043 -12.063 0.619 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.516 -11.652 -0.236 1.00 0.00 H new ATOM 80 N LYS A 9 16.125 -8.440 4.116 1.00 0.00 N ATOM 81 CA LYS A 9 15.388 -8.022 5.303 1.00 0.00 C ATOM 82 C LYS A 9 14.212 -7.126 4.925 1.00 0.00 C ATOM 83 O LYS A 9 14.266 -6.365 3.959 1.00 0.00 O ATOM 84 CB LYS A 9 16.315 -7.284 6.271 1.00 0.00 C ATOM 85 CG LYS A 9 17.191 -8.208 7.098 1.00 0.00 C ATOM 86 CD LYS A 9 18.243 -8.894 6.242 1.00 0.00 C ATOM 87 CE LYS A 9 19.339 -9.514 7.095 1.00 0.00 C ATOM 88 NZ LYS A 9 20.363 -10.206 6.265 1.00 0.00 N ATOM 0 H LYS A 9 16.745 -7.727 3.732 1.00 0.00 H new ATOM 0 HA LYS A 9 14.999 -8.915 5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.952 -6.605 5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.713 -6.671 6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.679 -7.637 7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.570 -8.960 7.585 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.772 -9.667 5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.681 -8.171 5.554 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.819 -8.737 7.691 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.897 -10.224 7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 21.092 -10.615 6.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.910 -10.964 5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 20.803 -9.523 5.616 1.00 0.00 H new ATOM 102 N PRO A 10 13.124 -7.216 5.705 1.00 0.00 N ATOM 103 CA PRO A 10 11.916 -6.420 5.473 1.00 0.00 C ATOM 104 C PRO A 10 12.130 -4.940 5.774 1.00 0.00 C ATOM 105 O PRO A 10 12.936 -4.566 6.627 1.00 0.00 O ATOM 106 CB PRO A 10 10.901 -7.023 6.447 1.00 0.00 C ATOM 107 CG PRO A 10 11.727 -7.622 7.532 1.00 0.00 C ATOM 108 CD PRO A 10 12.990 -8.103 6.873 1.00 0.00 C ATOM 0 HA PRO A 10 11.599 -6.455 4.431 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.226 -6.261 6.838 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.283 -7.776 5.959 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.946 -6.887 8.306 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.200 -8.446 8.014 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.848 -8.021 7.540 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.915 -9.149 6.577 1.00 0.00 H new ATOM 116 N PRO A 11 11.392 -4.077 5.061 1.00 0.00 N ATOM 117 CA PRO A 11 11.483 -2.624 5.236 1.00 0.00 C ATOM 118 C PRO A 11 10.908 -2.164 6.571 1.00 0.00 C ATOM 119 O PRO A 11 9.987 -2.782 7.106 1.00 0.00 O ATOM 120 CB PRO A 11 10.649 -2.075 4.076 1.00 0.00 C ATOM 121 CG PRO A 11 9.687 -3.164 3.751 1.00 0.00 C ATOM 122 CD PRO A 11 10.411 -4.453 4.028 1.00 0.00 C ATOM 0 HA PRO A 11 12.516 -2.277 5.238 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.129 -1.160 4.361 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.276 -1.832 3.218 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.786 -3.084 4.360 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.373 -3.109 2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.731 -5.228 4.382 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.898 -4.841 3.133 1.00 0.00 H new ATOM 130 N ILE A 12 11.455 -1.076 7.102 1.00 0.00 N ATOM 131 CA ILE A 12 10.994 -0.533 8.374 1.00 0.00 C ATOM 132 C ILE A 12 10.433 0.874 8.199 1.00 0.00 C ATOM 133 O ILE A 12 10.392 1.404 7.089 1.00 0.00 O ATOM 134 CB ILE A 12 12.130 -0.495 9.414 1.00 0.00 C ATOM 135 CG1 ILE A 12 13.252 0.432 8.943 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.664 -1.897 9.666 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.347 0.625 9.969 1.00 0.00 C ATOM 0 H ILE A 12 12.218 -0.553 6.671 1.00 0.00 H new ATOM 0 HA ILE A 12 10.205 -1.194 8.733 1.00 0.00 H new ATOM 0 HB ILE A 12 11.732 -0.105 10.351 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.688 0.027 8.030 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.827 1.403 8.689 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.466 -1.854 10.403 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.860 -2.531 10.041 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.049 -2.313 8.735 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.108 1.293 9.567 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.924 1.059 10.875 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.798 -0.339 10.205 1.00 0.00 H new ATOM 149 N ASP A 13 10.002 1.473 9.304 1.00 0.00 N ATOM 150 CA ASP A 13 9.445 2.821 9.274 1.00 0.00 C ATOM 151 C ASP A 13 8.276 2.904 8.298 1.00 0.00 C ATOM 152 O ASP A 13 8.128 3.888 7.572 1.00 0.00 O ATOM 153 CB ASP A 13 10.523 3.833 8.885 1.00 0.00 C ATOM 154 CG ASP A 13 11.340 4.295 10.076 1.00 0.00 C ATOM 155 OD1 ASP A 13 10.842 5.144 10.844 1.00 0.00 O ATOM 156 OD2 ASP A 13 12.478 3.807 10.240 1.00 0.00 O ATOM 0 H ASP A 13 10.027 1.047 10.231 1.00 0.00 H new ATOM 0 HA ASP A 13 9.079 3.058 10.273 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.186 3.386 8.144 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.054 4.696 8.413 1.00 0.00 H new ATOM 161 N LEU A 14 7.448 1.865 8.284 1.00 0.00 N ATOM 162 CA LEU A 14 6.292 1.820 7.396 1.00 0.00 C ATOM 163 C LEU A 14 5.165 2.703 7.922 1.00 0.00 C ATOM 164 O LEU A 14 4.449 2.327 8.850 1.00 0.00 O ATOM 165 CB LEU A 14 5.797 0.381 7.243 1.00 0.00 C ATOM 166 CG LEU A 14 5.098 0.047 5.925 1.00 0.00 C ATOM 167 CD1 LEU A 14 6.065 0.182 4.758 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.509 -1.355 5.973 1.00 0.00 C ATOM 0 H LEU A 14 7.556 1.043 8.878 1.00 0.00 H new ATOM 0 HA LEU A 14 6.600 2.198 6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.649 -0.289 7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.109 0.166 8.060 1.00 0.00 H new ATOM 0 HG LEU A 14 4.283 0.756 5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.550 -0.060 3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.438 1.205 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.902 -0.503 4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.016 -1.575 5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.306 -2.079 6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.783 -1.417 6.784 1.00 0.00 H new ATOM 180 N VAL A 15 5.013 3.880 7.322 1.00 0.00 N ATOM 181 CA VAL A 15 3.971 4.816 7.729 1.00 0.00 C ATOM 182 C VAL A 15 3.428 5.587 6.531 1.00 0.00 C ATOM 183 O VAL A 15 4.137 5.813 5.550 1.00 0.00 O ATOM 184 CB VAL A 15 4.494 5.817 8.776 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.361 6.293 9.672 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.610 5.193 9.599 1.00 0.00 C ATOM 0 H VAL A 15 5.598 4.208 6.553 1.00 0.00 H new ATOM 0 HA VAL A 15 3.169 4.225 8.171 1.00 0.00 H new ATOM 0 HB VAL A 15 4.900 6.683 8.254 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.749 7.000 10.405 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.598 6.782 9.066 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.922 5.439 10.188 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.967 5.915 10.334 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.233 4.309 10.113 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.431 4.908 8.941 1.00 0.00 H new ATOM 196 N VAL A 16 2.164 5.989 6.617 1.00 0.00 N ATOM 197 CA VAL A 16 1.525 6.737 5.541 1.00 0.00 C ATOM 198 C VAL A 16 1.677 8.240 5.750 1.00 0.00 C ATOM 199 O VAL A 16 1.376 8.763 6.824 1.00 0.00 O ATOM 200 CB VAL A 16 0.027 6.394 5.432 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.636 7.234 4.351 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.160 4.910 5.156 1.00 0.00 C ATOM 0 H VAL A 16 1.562 5.809 7.421 1.00 0.00 H new ATOM 0 HA VAL A 16 2.025 6.450 4.616 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.452 6.627 6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.694 6.978 4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.533 8.291 4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.158 7.036 3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.224 4.685 5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.332 4.649 4.219 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.278 4.331 5.969 1.00 0.00 H new ATOM 212 N THR A 17 2.146 8.931 4.716 1.00 0.00 N ATOM 213 CA THR A 17 2.339 10.374 4.786 1.00 0.00 C ATOM 214 C THR A 17 1.211 11.115 4.077 1.00 0.00 C ATOM 215 O THR A 17 0.894 12.253 4.419 1.00 0.00 O ATOM 216 CB THR A 17 3.684 10.792 4.161 1.00 0.00 C ATOM 217 OG1 THR A 17 4.018 12.124 4.565 1.00 0.00 O ATOM 218 CG2 THR A 17 3.622 10.717 2.643 1.00 0.00 C ATOM 0 H THR A 17 2.399 8.515 3.820 1.00 0.00 H new ATOM 0 HA THR A 17 2.338 10.642 5.843 1.00 0.00 H new ATOM 0 HB THR A 17 4.452 10.103 4.511 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.875 12.382 4.165 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.583 11.017 2.224 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.396 9.695 2.338 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.843 11.385 2.277 1.00 0.00 H new ATOM 226 N GLU A 18 0.608 10.460 3.090 1.00 0.00 N ATOM 227 CA GLU A 18 -0.486 11.058 2.334 1.00 0.00 C ATOM 228 C GLU A 18 -1.564 10.023 2.024 1.00 0.00 C ATOM 229 O GLU A 18 -1.265 8.858 1.760 1.00 0.00 O ATOM 230 CB GLU A 18 0.038 11.669 1.032 1.00 0.00 C ATOM 231 CG GLU A 18 0.755 12.995 1.228 1.00 0.00 C ATOM 232 CD GLU A 18 1.398 13.504 -0.048 1.00 0.00 C ATOM 233 OE1 GLU A 18 2.162 12.740 -0.673 1.00 0.00 O ATOM 234 OE2 GLU A 18 1.135 14.667 -0.420 1.00 0.00 O ATOM 0 H GLU A 18 0.858 9.516 2.795 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.927 11.845 2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.720 10.963 0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.797 11.815 0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.045 13.737 1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.520 12.880 1.996 1.00 0.00 H new ATOM 241 N THR A 19 -2.820 10.457 2.060 1.00 0.00 N ATOM 242 CA THR A 19 -3.943 9.569 1.786 1.00 0.00 C ATOM 243 C THR A 19 -5.013 10.274 0.961 1.00 0.00 C ATOM 244 O THR A 19 -5.625 11.242 1.414 1.00 0.00 O ATOM 245 CB THR A 19 -4.578 9.047 3.089 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.430 10.019 4.130 1.00 0.00 O ATOM 247 CG2 THR A 19 -3.934 7.737 3.517 1.00 0.00 C ATOM 0 H THR A 19 -3.085 11.418 2.276 1.00 0.00 H new ATOM 0 HA THR A 19 -3.547 8.726 1.220 1.00 0.00 H new ATOM 0 HB THR A 19 -5.638 8.870 2.905 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.838 9.680 4.954 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.398 7.388 4.439 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.073 6.991 2.735 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.868 7.893 3.684 1.00 0.00 H new ATOM 255 N THR A 20 -5.235 9.784 -0.255 1.00 0.00 N ATOM 256 CA THR A 20 -6.231 10.368 -1.145 1.00 0.00 C ATOM 257 C THR A 20 -7.494 9.517 -1.190 1.00 0.00 C ATOM 258 O THR A 20 -7.531 8.415 -0.643 1.00 0.00 O ATOM 259 CB THR A 20 -5.682 10.527 -2.575 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.259 10.688 -2.539 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.315 11.725 -3.267 1.00 0.00 C ATOM 0 H THR A 20 -4.738 8.984 -0.646 1.00 0.00 H new ATOM 0 HA THR A 20 -6.473 11.353 -0.745 1.00 0.00 H new ATOM 0 HB THR A 20 -5.931 9.628 -3.138 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.955 11.096 -3.376 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.912 11.817 -4.276 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.395 11.586 -3.319 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.092 12.631 -2.703 1.00 0.00 H new ATOM 269 N ALA A 21 -8.528 10.035 -1.844 1.00 0.00 N ATOM 270 CA ALA A 21 -9.793 9.320 -1.962 1.00 0.00 C ATOM 271 C ALA A 21 -9.633 8.055 -2.797 1.00 0.00 C ATOM 272 O ALA A 21 -10.248 7.027 -2.511 1.00 0.00 O ATOM 273 CB ALA A 21 -10.855 10.225 -2.570 1.00 0.00 C ATOM 0 H ALA A 21 -8.515 10.947 -2.300 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.110 9.025 -0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.795 9.679 -2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.997 11.098 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.535 10.547 -3.561 1.00 0.00 H new ATOM 279 N THR A 22 -8.803 8.135 -3.833 1.00 0.00 N ATOM 280 CA THR A 22 -8.563 6.997 -4.711 1.00 0.00 C ATOM 281 C THR A 22 -7.075 6.682 -4.809 1.00 0.00 C ATOM 282 O THR A 22 -6.639 5.978 -5.719 1.00 0.00 O ATOM 283 CB THR A 22 -9.117 7.252 -6.125 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.299 8.210 -6.806 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.551 7.756 -6.063 1.00 0.00 C ATOM 0 H THR A 22 -8.286 8.977 -4.084 1.00 0.00 H new ATOM 0 HA THR A 22 -9.083 6.145 -4.273 1.00 0.00 H new ATOM 0 HB THR A 22 -9.104 6.309 -6.671 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.657 8.365 -7.705 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.920 7.929 -7.074 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.177 7.012 -5.570 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.585 8.689 -5.500 1.00 0.00 H new ATOM 293 N SER A 23 -6.300 7.208 -3.865 1.00 0.00 N ATOM 294 CA SER A 23 -4.859 6.985 -3.848 1.00 0.00 C ATOM 295 C SER A 23 -4.323 7.013 -2.420 1.00 0.00 C ATOM 296 O SER A 23 -4.985 7.503 -1.505 1.00 0.00 O ATOM 297 CB SER A 23 -4.148 8.043 -4.694 1.00 0.00 C ATOM 298 OG SER A 23 -4.928 8.404 -5.820 1.00 0.00 O ATOM 0 H SER A 23 -6.646 7.791 -3.103 1.00 0.00 H new ATOM 0 HA SER A 23 -4.663 6.000 -4.272 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.950 8.926 -4.087 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.182 7.660 -5.024 1.00 0.00 H new ATOM 0 HG SER A 23 -4.452 9.082 -6.343 1.00 0.00 H new ATOM 304 N VAL A 24 -3.117 6.485 -2.237 1.00 0.00 N ATOM 305 CA VAL A 24 -2.489 6.450 -0.922 1.00 0.00 C ATOM 306 C VAL A 24 -0.969 6.417 -1.039 1.00 0.00 C ATOM 307 O VAL A 24 -0.419 5.823 -1.968 1.00 0.00 O ATOM 308 CB VAL A 24 -2.957 5.229 -0.108 1.00 0.00 C ATOM 309 CG1 VAL A 24 -2.562 5.377 1.353 1.00 0.00 C ATOM 310 CG2 VAL A 24 -4.461 5.043 -0.246 1.00 0.00 C ATOM 0 H VAL A 24 -2.555 6.075 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.791 7.360 -0.403 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.465 4.340 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.901 4.505 1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.478 5.458 1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.023 6.274 1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.775 4.176 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.973 5.932 0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.714 4.888 -1.295 1.00 0.00 H new ATOM 320 N THR A 25 -0.293 7.057 -0.090 1.00 0.00 N ATOM 321 CA THR A 25 1.163 7.101 -0.086 1.00 0.00 C ATOM 322 C THR A 25 1.736 6.269 1.055 1.00 0.00 C ATOM 323 O THR A 25 1.180 6.238 2.154 1.00 0.00 O ATOM 324 CB THR A 25 1.681 8.547 0.037 1.00 0.00 C ATOM 325 OG1 THR A 25 1.074 9.372 -0.964 1.00 0.00 O ATOM 326 CG2 THR A 25 3.195 8.594 -0.110 1.00 0.00 C ATOM 0 H THR A 25 -0.732 7.552 0.686 1.00 0.00 H new ATOM 0 HA THR A 25 1.494 6.684 -1.037 1.00 0.00 H new ATOM 0 HB THR A 25 1.416 8.921 1.026 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.689 10.094 -1.210 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.538 9.625 -0.020 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.655 7.989 0.671 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.478 8.202 -1.087 1.00 0.00 H new ATOM 334 N LEU A 26 2.850 5.597 0.790 1.00 0.00 N ATOM 335 CA LEU A 26 3.500 4.764 1.797 1.00 0.00 C ATOM 336 C LEU A 26 4.982 5.105 1.912 1.00 0.00 C ATOM 337 O LEU A 26 5.679 5.245 0.906 1.00 0.00 O ATOM 338 CB LEU A 26 3.331 3.284 1.449 1.00 0.00 C ATOM 339 CG LEU A 26 3.490 2.300 2.608 1.00 0.00 C ATOM 340 CD1 LEU A 26 2.326 2.425 3.578 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.601 0.875 2.086 1.00 0.00 C ATOM 0 H LEU A 26 3.323 5.612 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 26 3.025 4.962 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.342 3.144 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.058 3.027 0.678 1.00 0.00 H new ATOM 0 HG LEU A 26 4.409 2.543 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.457 1.717 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.292 3.439 3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.393 2.209 3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.714 0.188 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.700 0.621 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.469 0.794 1.431 1.00 0.00 H new ATOM 353 N THR A 27 5.459 5.237 3.146 1.00 0.00 N ATOM 354 CA THR A 27 6.859 5.561 3.393 1.00 0.00 C ATOM 355 C THR A 27 7.522 4.501 4.267 1.00 0.00 C ATOM 356 O THR A 27 6.949 4.057 5.262 1.00 0.00 O ATOM 357 CB THR A 27 7.006 6.935 4.073 1.00 0.00 C ATOM 358 OG1 THR A 27 6.434 6.897 5.385 1.00 0.00 O ATOM 359 CG2 THR A 27 6.328 8.021 3.250 1.00 0.00 C ATOM 0 H THR A 27 4.897 5.125 3.990 1.00 0.00 H new ATOM 0 HA THR A 27 7.353 5.590 2.422 1.00 0.00 H new ATOM 0 HB THR A 27 8.068 7.167 4.147 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.758 6.188 5.427 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.445 8.983 3.750 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.786 8.068 2.262 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.267 7.792 3.148 1.00 0.00 H new ATOM 367 N TRP A 28 8.730 4.102 3.889 1.00 0.00 N ATOM 368 CA TRP A 28 9.472 3.095 4.639 1.00 0.00 C ATOM 369 C TRP A 28 10.972 3.238 4.407 1.00 0.00 C ATOM 370 O TRP A 28 11.416 4.138 3.693 1.00 0.00 O ATOM 371 CB TRP A 28 9.013 1.692 4.239 1.00 0.00 C ATOM 372 CG TRP A 28 9.419 1.308 2.848 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.634 0.826 2.452 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.610 1.377 1.669 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.629 0.591 1.098 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.398 0.920 0.595 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.295 1.778 1.417 1.00 0.00 C ATOM 378 CZ2 TRP A 28 8.913 0.856 -0.709 1.00 0.00 C ATOM 379 CZ3 TRP A 28 6.816 1.714 0.122 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.623 1.255 -0.927 1.00 0.00 C ATOM 0 H TRP A 28 9.217 4.460 3.068 1.00 0.00 H new ATOM 0 HA TRP A 28 9.272 3.247 5.700 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.425 0.968 4.943 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.928 1.635 4.322 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.475 0.655 3.107 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.414 0.230 0.556 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.665 2.131 2.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.534 0.504 -1.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.802 2.023 -0.085 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.219 1.215 -1.928 1.00 0.00 H new ATOM 391 N ASP A 29 11.748 2.347 5.015 1.00 0.00 N ATOM 392 CA ASP A 29 13.199 2.375 4.873 1.00 0.00 C ATOM 393 C ASP A 29 13.713 1.063 4.287 1.00 0.00 C ATOM 394 O ASP A 29 13.095 0.012 4.458 1.00 0.00 O ATOM 395 CB ASP A 29 13.860 2.636 6.228 1.00 0.00 C ATOM 396 CG ASP A 29 15.347 2.906 6.104 1.00 0.00 C ATOM 397 OD1 ASP A 29 16.128 1.932 6.111 1.00 0.00 O ATOM 398 OD2 ASP A 29 15.728 4.090 6.002 1.00 0.00 O ATOM 0 H ASP A 29 11.397 1.597 5.610 1.00 0.00 H new ATOM 0 HA ASP A 29 13.457 3.184 4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.377 3.488 6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.703 1.775 6.878 1.00 0.00 H new ATOM 403 N SER A 30 14.845 1.133 3.595 1.00 0.00 N ATOM 404 CA SER A 30 15.439 -0.047 2.979 1.00 0.00 C ATOM 405 C SER A 30 15.424 -1.229 3.944 1.00 0.00 C ATOM 406 O SER A 30 15.115 -2.356 3.559 1.00 0.00 O ATOM 407 CB SER A 30 16.874 0.248 2.540 1.00 0.00 C ATOM 408 OG SER A 30 17.629 0.805 3.602 1.00 0.00 O ATOM 0 H SER A 30 15.370 1.995 3.447 1.00 0.00 H new ATOM 0 HA SER A 30 14.845 -0.307 2.103 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.348 -0.671 2.196 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.865 0.937 1.696 1.00 0.00 H new ATOM 0 HG SER A 30 18.543 0.983 3.296 1.00 0.00 H new ATOM 414 N GLY A 31 15.760 -0.962 5.203 1.00 0.00 N ATOM 415 CA GLY A 31 15.780 -2.012 6.204 1.00 0.00 C ATOM 416 C GLY A 31 17.028 -2.868 6.123 1.00 0.00 C ATOM 417 O GLY A 31 17.692 -3.105 7.131 1.00 0.00 O ATOM 0 H GLY A 31 16.019 -0.037 5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 31 15.714 -1.565 7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.901 -2.644 6.080 1.00 0.00 H new ATOM 421 N ASN A 32 17.348 -3.333 4.920 1.00 0.00 N ATOM 422 CA ASN A 32 18.524 -4.169 4.712 1.00 0.00 C ATOM 423 C ASN A 32 19.748 -3.317 4.390 1.00 0.00 C ATOM 424 O ASN A 32 19.623 -2.156 4.000 1.00 0.00 O ATOM 425 CB ASN A 32 18.272 -5.168 3.580 1.00 0.00 C ATOM 426 CG ASN A 32 17.306 -4.632 2.541 1.00 0.00 C ATOM 427 OD1 ASN A 32 16.045 -5.035 2.642 1.00 0.00 O flip ATOM 428 ND2 ASN A 32 17.690 -3.864 1.658 1.00 0.00 N flip ATOM 0 H ASN A 32 16.809 -3.145 4.075 1.00 0.00 H new ATOM 0 HA ASN A 32 18.717 -4.716 5.635 1.00 0.00 H new ATOM 0 HB2 ASN A 32 19.219 -5.415 3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.876 -6.094 3.997 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.669 -3.581 1.619 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.029 -3.511 0.966 1.00 0.00 H new ATOM 475 N VAL A 36 19.548 -4.550 -2.470 1.00 0.00 N ATOM 476 CA VAL A 36 18.641 -5.537 -3.044 1.00 0.00 C ATOM 477 C VAL A 36 18.243 -5.156 -4.466 1.00 0.00 C ATOM 478 O VAL A 36 18.445 -4.020 -4.896 1.00 0.00 O ATOM 479 CB VAL A 36 17.369 -5.694 -2.191 1.00 0.00 C ATOM 480 CG1 VAL A 36 17.717 -6.203 -0.801 1.00 0.00 C ATOM 481 CG2 VAL A 36 16.616 -4.375 -2.112 1.00 0.00 C ATOM 0 HA VAL A 36 19.176 -6.486 -3.062 1.00 0.00 H new ATOM 0 HB VAL A 36 16.721 -6.429 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.805 -6.308 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 36 18.210 -7.172 -0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 36 18.385 -5.495 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 36 15.720 -4.504 -1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.255 -3.618 -1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.333 -4.057 -3.115 1.00 0.00 H new ATOM 491 N THR A 37 17.676 -6.114 -5.192 1.00 0.00 N ATOM 492 CA THR A 37 17.249 -5.880 -6.566 1.00 0.00 C ATOM 493 C THR A 37 16.111 -4.867 -6.624 1.00 0.00 C ATOM 494 O THR A 37 16.258 -3.785 -7.193 1.00 0.00 O ATOM 495 CB THR A 37 16.793 -7.186 -7.243 1.00 0.00 C ATOM 496 OG1 THR A 37 17.821 -8.178 -7.137 1.00 0.00 O ATOM 497 CG2 THR A 37 16.460 -6.949 -8.708 1.00 0.00 C ATOM 0 H THR A 37 17.502 -7.060 -4.851 1.00 0.00 H new ATOM 0 HA THR A 37 18.112 -5.484 -7.101 1.00 0.00 H new ATOM 0 HB THR A 37 15.895 -7.538 -6.735 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.523 -9.006 -7.568 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.141 -7.886 -9.165 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.657 -6.216 -8.785 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.343 -6.576 -9.226 1.00 0.00 H new ATOM 505 N TYR A 38 14.977 -5.224 -6.031 1.00 0.00 N ATOM 506 CA TYR A 38 13.813 -4.346 -6.016 1.00 0.00 C ATOM 507 C TYR A 38 12.921 -4.645 -4.815 1.00 0.00 C ATOM 508 O TYR A 38 13.248 -5.486 -3.978 1.00 0.00 O ATOM 509 CB TYR A 38 13.014 -4.503 -7.311 1.00 0.00 C ATOM 510 CG TYR A 38 12.203 -5.777 -7.372 1.00 0.00 C ATOM 511 CD1 TYR A 38 10.901 -5.819 -6.888 1.00 0.00 C ATOM 512 CD2 TYR A 38 12.739 -6.940 -7.911 1.00 0.00 C ATOM 513 CE1 TYR A 38 10.156 -6.981 -6.941 1.00 0.00 C ATOM 514 CE2 TYR A 38 12.001 -8.106 -7.969 1.00 0.00 C ATOM 515 CZ TYR A 38 10.711 -8.122 -7.483 1.00 0.00 C ATOM 516 OH TYR A 38 9.973 -9.282 -7.537 1.00 0.00 O ATOM 0 H TYR A 38 14.839 -6.115 -5.554 1.00 0.00 H new ATOM 0 HA TYR A 38 14.165 -3.318 -5.937 1.00 0.00 H new ATOM 0 HB2 TYR A 38 12.344 -3.650 -7.420 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.701 -4.479 -8.157 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.464 -4.928 -6.463 1.00 0.00 H new ATOM 0 HD2 TYR A 38 13.750 -6.932 -8.291 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.145 -6.996 -6.561 1.00 0.00 H new ATOM 0 HE2 TYR A 38 12.432 -9.001 -8.393 1.00 0.00 H new ATOM 0 HH TYR A 38 10.509 -9.992 -7.948 1.00 0.00 H new ATOM 526 N TYR A 39 11.791 -3.950 -4.739 1.00 0.00 N ATOM 527 CA TYR A 39 10.851 -4.138 -3.640 1.00 0.00 C ATOM 528 C TYR A 39 9.435 -4.350 -4.166 1.00 0.00 C ATOM 529 O TYR A 39 9.000 -3.678 -5.101 1.00 0.00 O ATOM 530 CB TYR A 39 10.884 -2.931 -2.701 1.00 0.00 C ATOM 531 CG TYR A 39 12.171 -2.807 -1.918 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.375 -2.547 -2.560 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.184 -2.952 -0.536 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.554 -2.433 -1.849 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.357 -2.839 0.183 1.00 0.00 C ATOM 536 CZ TYR A 39 14.540 -2.580 -0.478 1.00 0.00 C ATOM 537 OH TYR A 39 15.712 -2.468 0.235 1.00 0.00 O ATOM 0 H TYR A 39 11.504 -3.252 -5.425 1.00 0.00 H new ATOM 0 HA TYR A 39 11.150 -5.028 -3.086 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.735 -2.023 -3.285 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.050 -3.001 -2.003 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.390 -2.432 -3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.260 -3.157 -0.015 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.481 -2.230 -2.364 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.349 -2.953 1.257 1.00 0.00 H new ATOM 0 HH TYR A 39 15.510 -2.437 1.193 1.00 0.00 H new ATOM 547 N GLY A 40 8.718 -5.289 -3.556 1.00 0.00 N ATOM 548 CA GLY A 40 7.358 -5.574 -3.975 1.00 0.00 C ATOM 549 C GLY A 40 6.327 -5.011 -3.017 1.00 0.00 C ATOM 550 O GLY A 40 6.635 -4.731 -1.858 1.00 0.00 O ATOM 0 H GLY A 40 9.055 -5.857 -2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.192 -5.157 -4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.224 -6.653 -4.055 1.00 0.00 H new ATOM 554 N ILE A 41 5.101 -4.844 -3.501 1.00 0.00 N ATOM 555 CA ILE A 41 4.022 -4.310 -2.679 1.00 0.00 C ATOM 556 C ILE A 41 2.754 -5.144 -2.828 1.00 0.00 C ATOM 557 O ILE A 41 2.441 -5.625 -3.916 1.00 0.00 O ATOM 558 CB ILE A 41 3.707 -2.848 -3.044 1.00 0.00 C ATOM 559 CG1 ILE A 41 4.968 -1.988 -2.929 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.605 -2.304 -2.147 1.00 0.00 C ATOM 561 CD1 ILE A 41 4.748 -0.540 -3.308 1.00 0.00 C ATOM 0 H ILE A 41 4.830 -5.071 -4.458 1.00 0.00 H new ATOM 0 HA ILE A 41 4.363 -4.352 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 41 3.359 -2.813 -4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.338 -2.035 -1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.744 -2.409 -3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.393 -1.269 -2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.704 -2.904 -2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.927 -2.349 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.683 0.010 -3.203 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.407 -0.482 -4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.995 -0.103 -2.653 1.00 0.00 H new ATOM 573 N GLN A 42 2.028 -5.309 -1.727 1.00 0.00 N ATOM 574 CA GLN A 42 0.793 -6.083 -1.736 1.00 0.00 C ATOM 575 C GLN A 42 -0.283 -5.403 -0.895 1.00 0.00 C ATOM 576 O GLN A 42 -0.046 -5.039 0.257 1.00 0.00 O ATOM 577 CB GLN A 42 1.049 -7.497 -1.210 1.00 0.00 C ATOM 578 CG GLN A 42 1.532 -8.465 -2.279 1.00 0.00 C ATOM 579 CD GLN A 42 2.189 -9.699 -1.694 1.00 0.00 C ATOM 580 OE1 GLN A 42 1.559 -10.750 -1.564 1.00 0.00 O ATOM 581 NE2 GLN A 42 3.462 -9.579 -1.336 1.00 0.00 N ATOM 0 H GLN A 42 2.274 -4.917 -0.818 1.00 0.00 H new ATOM 0 HA GLN A 42 0.440 -6.143 -2.765 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.790 -7.450 -0.412 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.130 -7.884 -0.769 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.688 -8.767 -2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.241 -7.955 -2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.945 -8.690 -1.461 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.956 -10.376 -0.936 1.00 0.00 H new ATOM 590 N TYR A 43 -1.464 -5.234 -1.479 1.00 0.00 N ATOM 591 CA TYR A 43 -2.575 -4.595 -0.784 1.00 0.00 C ATOM 592 C TYR A 43 -3.905 -5.226 -1.186 1.00 0.00 C ATOM 593 O TYR A 43 -4.087 -5.640 -2.331 1.00 0.00 O ATOM 594 CB TYR A 43 -2.598 -3.096 -1.086 1.00 0.00 C ATOM 595 CG TYR A 43 -2.682 -2.777 -2.562 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.546 -2.795 -3.362 1.00 0.00 C ATOM 597 CD2 TYR A 43 -3.896 -2.455 -3.156 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.617 -2.504 -4.711 1.00 0.00 C ATOM 599 CE2 TYR A 43 -3.977 -2.164 -4.504 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.835 -2.189 -5.277 1.00 0.00 C ATOM 601 OH TYR A 43 -2.912 -1.898 -6.619 1.00 0.00 O ATOM 0 H TYR A 43 -1.677 -5.530 -2.432 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.433 -4.742 0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.449 -2.644 -0.576 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.699 -2.637 -0.674 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.591 -3.041 -2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.792 -2.432 -2.553 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.724 -2.523 -5.319 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.929 -1.918 -4.950 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.841 -1.699 -6.858 1.00 0.00 H new ATOM 611 N ARG A 44 -4.830 -5.296 -0.235 1.00 0.00 N ATOM 612 CA ARG A 44 -6.143 -5.877 -0.489 1.00 0.00 C ATOM 613 C ARG A 44 -7.205 -5.228 0.394 1.00 0.00 C ATOM 614 O ARG A 44 -6.921 -4.805 1.514 1.00 0.00 O ATOM 615 CB ARG A 44 -6.113 -7.387 -0.242 1.00 0.00 C ATOM 616 CG ARG A 44 -7.443 -8.074 -0.505 1.00 0.00 C ATOM 617 CD ARG A 44 -7.569 -8.505 -1.957 1.00 0.00 C ATOM 618 NE ARG A 44 -8.962 -8.566 -2.391 1.00 0.00 N ATOM 619 CZ ARG A 44 -9.343 -8.454 -3.659 1.00 0.00 C ATOM 620 NH1 ARG A 44 -8.439 -8.278 -4.613 1.00 0.00 N ATOM 621 NH2 ARG A 44 -10.630 -8.519 -3.975 1.00 0.00 N ATOM 0 H ARG A 44 -4.695 -4.958 0.718 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.399 -5.691 -1.532 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.350 -7.836 -0.878 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.816 -7.572 0.790 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.539 -8.945 0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.260 -7.397 -0.253 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.022 -7.807 -2.591 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.106 -9.483 -2.086 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.682 -8.702 -1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.449 -8.228 -4.374 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.734 -8.192 -5.586 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.328 -8.655 -3.244 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.921 -8.433 -4.949 1.00 0.00 H new ATOM 635 N ALA A 45 -8.428 -5.152 -0.119 1.00 0.00 N ATOM 636 CA ALA A 45 -9.532 -4.556 0.623 1.00 0.00 C ATOM 637 C ALA A 45 -9.701 -5.221 1.985 1.00 0.00 C ATOM 638 O ALA A 45 -10.112 -6.377 2.076 1.00 0.00 O ATOM 639 CB ALA A 45 -10.822 -4.656 -0.178 1.00 0.00 C ATOM 0 H ALA A 45 -8.680 -5.496 -1.046 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.300 -3.504 0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.638 -4.207 0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.704 -4.129 -1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.049 -5.704 -0.372 1.00 0.00 H new ATOM 732 N GLN A 53 -3.386 -7.750 -4.301 1.00 0.00 N ATOM 733 CA GLN A 53 -2.708 -7.175 -5.456 1.00 0.00 C ATOM 734 C GLN A 53 -1.204 -7.421 -5.382 1.00 0.00 C ATOM 735 O GLN A 53 -0.694 -7.904 -4.371 1.00 0.00 O ATOM 736 CB GLN A 53 -2.987 -5.674 -5.543 1.00 0.00 C ATOM 737 CG GLN A 53 -4.372 -5.343 -6.074 1.00 0.00 C ATOM 738 CD GLN A 53 -4.741 -6.162 -7.294 1.00 0.00 C ATOM 739 OE1 GLN A 53 -5.220 -7.380 -7.067 1.00 0.00 O flip ATOM 740 NE2 GLN A 53 -4.597 -5.707 -8.429 1.00 0.00 N flip ATOM 0 HA GLN A 53 -3.094 -7.661 -6.352 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.872 -5.233 -4.553 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.240 -5.211 -6.187 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.108 -5.516 -5.289 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.417 -4.283 -6.326 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.225 -4.766 -8.558 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.849 -6.271 -9.240 1.00 0.00 H new ATOM 749 N GLU A 54 -0.501 -7.087 -6.459 1.00 0.00 N ATOM 750 CA GLU A 54 0.944 -7.273 -6.516 1.00 0.00 C ATOM 751 C GLU A 54 1.598 -6.196 -7.376 1.00 0.00 C ATOM 752 O GLU A 54 1.077 -5.824 -8.427 1.00 0.00 O ATOM 753 CB GLU A 54 1.281 -8.659 -7.071 1.00 0.00 C ATOM 754 CG GLU A 54 2.764 -8.869 -7.325 1.00 0.00 C ATOM 755 CD GLU A 54 3.179 -8.464 -8.726 1.00 0.00 C ATOM 756 OE1 GLU A 54 2.479 -7.626 -9.332 1.00 0.00 O ATOM 757 OE2 GLU A 54 4.203 -8.984 -9.216 1.00 0.00 O ATOM 0 H GLU A 54 -0.908 -6.686 -7.304 1.00 0.00 H new ATOM 0 HA GLU A 54 1.335 -7.191 -5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.930 -9.417 -6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.736 -8.810 -8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.338 -8.293 -6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.011 -9.919 -7.166 1.00 0.00 H new ATOM 764 N VAL A 55 2.744 -5.698 -6.920 1.00 0.00 N ATOM 765 CA VAL A 55 3.471 -4.664 -7.647 1.00 0.00 C ATOM 766 C VAL A 55 4.972 -4.931 -7.628 1.00 0.00 C ATOM 767 O VAL A 55 5.574 -5.072 -6.563 1.00 0.00 O ATOM 768 CB VAL A 55 3.200 -3.268 -7.056 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.996 -2.208 -7.804 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.713 -2.953 -7.092 1.00 0.00 C ATOM 0 H VAL A 55 3.188 -5.994 -6.051 1.00 0.00 H new ATOM 0 HA VAL A 55 3.114 -4.690 -8.677 1.00 0.00 H new ATOM 0 HB VAL A 55 3.523 -3.265 -6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.792 -1.228 -7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.061 -2.426 -7.721 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.706 -2.209 -8.855 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.541 -1.963 -6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.361 -2.974 -8.124 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.170 -3.696 -6.508 1.00 0.00 H new ATOM 780 N ASP A 56 5.570 -4.997 -8.812 1.00 0.00 N ATOM 781 CA ASP A 56 7.002 -5.245 -8.932 1.00 0.00 C ATOM 782 C ASP A 56 7.689 -4.111 -9.687 1.00 0.00 C ATOM 783 O ASP A 56 7.136 -3.563 -10.640 1.00 0.00 O ATOM 784 CB ASP A 56 7.253 -6.575 -9.644 1.00 0.00 C ATOM 785 CG ASP A 56 6.590 -6.637 -11.006 1.00 0.00 C ATOM 786 OD1 ASP A 56 5.407 -7.034 -11.072 1.00 0.00 O ATOM 787 OD2 ASP A 56 7.252 -6.287 -12.005 1.00 0.00 O ATOM 0 H ASP A 56 5.086 -4.882 -9.702 1.00 0.00 H new ATOM 0 HA ASP A 56 7.422 -5.295 -7.928 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.326 -6.725 -9.759 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.881 -7.391 -9.025 1.00 0.00 H new ATOM 792 N GLY A 57 8.897 -3.764 -9.254 1.00 0.00 N ATOM 793 CA GLY A 57 9.638 -2.697 -9.900 1.00 0.00 C ATOM 794 C GLY A 57 9.712 -1.445 -9.049 1.00 0.00 C ATOM 795 O GLY A 57 9.595 -0.331 -9.559 1.00 0.00 O ATOM 0 H GLY A 57 9.376 -4.203 -8.467 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.648 -3.042 -10.121 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.167 -2.457 -10.853 1.00 0.00 H new ATOM 799 N VAL A 58 9.905 -1.627 -7.746 1.00 0.00 N ATOM 800 CA VAL A 58 9.993 -0.503 -6.822 1.00 0.00 C ATOM 801 C VAL A 58 11.404 -0.360 -6.263 1.00 0.00 C ATOM 802 O VAL A 58 11.725 -0.917 -5.213 1.00 0.00 O ATOM 803 CB VAL A 58 9.002 -0.658 -5.653 1.00 0.00 C ATOM 804 CG1 VAL A 58 8.951 0.616 -4.823 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.619 -1.022 -6.172 1.00 0.00 C ATOM 0 H VAL A 58 10.003 -2.542 -7.307 1.00 0.00 H new ATOM 0 HA VAL A 58 9.738 0.393 -7.388 1.00 0.00 H new ATOM 0 HB VAL A 58 9.349 -1.468 -5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.246 0.487 -4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.942 0.828 -4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.629 1.447 -5.451 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.932 -1.128 -5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.262 -0.236 -6.837 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.672 -1.964 -6.718 1.00 0.00 H new ATOM 815 N ALA A 59 12.242 0.389 -6.970 1.00 0.00 N ATOM 816 CA ALA A 59 13.619 0.607 -6.543 1.00 0.00 C ATOM 817 C ALA A 59 13.729 1.841 -5.654 1.00 0.00 C ATOM 818 O ALA A 59 14.765 2.506 -5.622 1.00 0.00 O ATOM 819 CB ALA A 59 14.532 0.742 -7.753 1.00 0.00 C ATOM 0 H ALA A 59 11.992 0.856 -7.842 1.00 0.00 H new ATOM 0 HA ALA A 59 13.934 -0.258 -5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.557 0.904 -7.419 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.484 -0.170 -8.348 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.210 1.588 -8.359 1.00 0.00 H new ATOM 825 N THR A 60 12.654 2.144 -4.934 1.00 0.00 N ATOM 826 CA THR A 60 12.629 3.300 -4.046 1.00 0.00 C ATOM 827 C THR A 60 12.075 2.928 -2.675 1.00 0.00 C ATOM 828 O THR A 60 11.628 1.801 -2.459 1.00 0.00 O ATOM 829 CB THR A 60 11.783 4.444 -4.636 1.00 0.00 C ATOM 830 OG1 THR A 60 10.534 3.933 -5.115 1.00 0.00 O ATOM 831 CG2 THR A 60 12.523 5.134 -5.772 1.00 0.00 C ATOM 0 H THR A 60 11.788 1.605 -4.948 1.00 0.00 H new ATOM 0 HA THR A 60 13.660 3.639 -3.939 1.00 0.00 H new ATOM 0 HB THR A 60 11.598 5.174 -3.847 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.802 4.302 -4.578 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.906 5.938 -6.173 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.460 5.547 -5.398 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.734 4.412 -6.560 1.00 0.00 H new ATOM 839 N THR A 61 12.106 3.883 -1.751 1.00 0.00 N ATOM 840 CA THR A 61 11.607 3.656 -0.400 1.00 0.00 C ATOM 841 C THR A 61 10.178 4.164 -0.250 1.00 0.00 C ATOM 842 O THR A 61 9.493 3.840 0.721 1.00 0.00 O ATOM 843 CB THR A 61 12.498 4.344 0.651 1.00 0.00 C ATOM 844 OG1 THR A 61 12.323 5.764 0.587 1.00 0.00 O ATOM 845 CG2 THR A 61 13.963 3.998 0.429 1.00 0.00 C ATOM 0 H THR A 61 12.471 4.821 -1.913 1.00 0.00 H new ATOM 0 HA THR A 61 11.626 2.579 -0.232 1.00 0.00 H new ATOM 0 HB THR A 61 12.202 3.986 1.637 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.891 6.194 1.259 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.573 4.495 1.183 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.098 2.919 0.507 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.269 4.331 -0.563 1.00 0.00 H new ATOM 853 N ARG A 62 9.732 4.960 -1.216 1.00 0.00 N ATOM 854 CA ARG A 62 8.384 5.513 -1.190 1.00 0.00 C ATOM 855 C ARG A 62 7.594 5.078 -2.420 1.00 0.00 C ATOM 856 O ARG A 62 8.134 5.010 -3.525 1.00 0.00 O ATOM 857 CB ARG A 62 8.437 7.041 -1.118 1.00 0.00 C ATOM 858 CG ARG A 62 7.105 7.680 -0.761 1.00 0.00 C ATOM 859 CD ARG A 62 7.208 9.197 -0.723 1.00 0.00 C ATOM 860 NE ARG A 62 6.935 9.797 -2.027 1.00 0.00 N ATOM 861 CZ ARG A 62 6.695 11.091 -2.205 1.00 0.00 C ATOM 862 NH1 ARG A 62 6.695 11.917 -1.168 1.00 0.00 N ATOM 863 NH2 ARG A 62 6.455 11.561 -3.422 1.00 0.00 N ATOM 0 H ARG A 62 10.285 5.236 -2.027 1.00 0.00 H new ATOM 0 HA ARG A 62 7.879 5.132 -0.302 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.182 7.336 -0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.771 7.430 -2.080 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.351 7.383 -1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.772 7.312 0.210 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.505 9.590 0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.206 9.484 -0.394 1.00 0.00 H new ATOM 0 HE ARG A 62 6.928 9.189 -2.846 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.880 11.559 -0.231 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.510 12.910 -1.307 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.455 10.928 -4.222 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.271 12.555 -3.558 1.00 0.00 H new ATOM 877 N TYR A 63 6.314 4.785 -2.222 1.00 0.00 N ATOM 878 CA TYR A 63 5.450 4.354 -3.314 1.00 0.00 C ATOM 879 C TYR A 63 3.990 4.681 -3.017 1.00 0.00 C ATOM 880 O TYR A 63 3.523 4.516 -1.890 1.00 0.00 O ATOM 881 CB TYR A 63 5.609 2.851 -3.555 1.00 0.00 C ATOM 882 CG TYR A 63 4.773 2.331 -4.703 1.00 0.00 C ATOM 883 CD1 TYR A 63 3.417 2.074 -4.540 1.00 0.00 C ATOM 884 CD2 TYR A 63 5.339 2.096 -5.950 1.00 0.00 C ATOM 885 CE1 TYR A 63 2.650 1.597 -5.586 1.00 0.00 C ATOM 886 CE2 TYR A 63 4.579 1.621 -7.001 1.00 0.00 C ATOM 887 CZ TYR A 63 3.236 1.372 -6.814 1.00 0.00 C ATOM 888 OH TYR A 63 2.475 0.899 -7.858 1.00 0.00 O ATOM 0 H TYR A 63 5.851 4.838 -1.314 1.00 0.00 H new ATOM 0 HA TYR A 63 5.748 4.894 -4.213 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.658 2.632 -3.752 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.337 2.315 -2.646 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.955 2.250 -3.580 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.391 2.288 -6.100 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.598 1.402 -5.443 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.035 1.446 -7.964 1.00 0.00 H new ATOM 0 HH TYR A 63 3.039 0.796 -8.653 1.00 0.00 H new ATOM 898 N SER A 64 3.274 5.145 -4.036 1.00 0.00 N ATOM 899 CA SER A 64 1.868 5.498 -3.885 1.00 0.00 C ATOM 900 C SER A 64 0.975 4.508 -4.626 1.00 0.00 C ATOM 901 O SER A 64 1.251 4.144 -5.770 1.00 0.00 O ATOM 902 CB SER A 64 1.618 6.915 -4.404 1.00 0.00 C ATOM 903 OG SER A 64 1.922 7.014 -5.784 1.00 0.00 O ATOM 0 H SER A 64 3.645 5.285 -4.976 1.00 0.00 H new ATOM 0 HA SER A 64 1.621 5.458 -2.824 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.576 7.188 -4.238 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.227 7.624 -3.843 1.00 0.00 H new ATOM 0 HG SER A 64 1.837 6.132 -6.202 1.00 0.00 H new ATOM 909 N ILE A 65 -0.094 4.076 -3.967 1.00 0.00 N ATOM 910 CA ILE A 65 -1.028 3.128 -4.563 1.00 0.00 C ATOM 911 C ILE A 65 -2.244 3.845 -5.140 1.00 0.00 C ATOM 912 O ILE A 65 -2.785 4.764 -4.527 1.00 0.00 O ATOM 913 CB ILE A 65 -1.501 2.083 -3.536 1.00 0.00 C ATOM 914 CG1 ILE A 65 -0.304 1.324 -2.959 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.487 1.118 -4.179 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.336 2.015 -1.776 1.00 0.00 C ATOM 0 H ILE A 65 -0.336 4.367 -3.020 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.494 2.620 -5.366 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.007 2.600 -2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.627 0.328 -2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.444 1.193 -3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.813 0.385 -3.441 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.351 1.672 -4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.004 0.605 -5.011 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.177 1.421 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.690 3.001 -2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.397 2.122 -0.977 1.00 0.00 H new ATOM 928 N GLY A 66 -2.671 3.414 -6.324 1.00 0.00 N ATOM 929 CA GLY A 66 -3.822 4.024 -6.964 1.00 0.00 C ATOM 930 C GLY A 66 -4.817 2.998 -7.466 1.00 0.00 C ATOM 931 O GLY A 66 -4.471 1.836 -7.673 1.00 0.00 O ATOM 0 H GLY A 66 -2.240 2.654 -6.851 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.317 4.690 -6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.486 4.639 -7.799 1.00 0.00 H new ATOM 935 N GLY A 67 -6.061 3.427 -7.662 1.00 0.00 N ATOM 936 CA GLY A 67 -7.091 2.524 -8.140 1.00 0.00 C ATOM 937 C GLY A 67 -7.918 1.940 -7.012 1.00 0.00 C ATOM 938 O GLY A 67 -8.417 0.818 -7.115 1.00 0.00 O ATOM 0 H GLY A 67 -6.373 4.384 -7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.746 3.057 -8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.627 1.714 -8.704 1.00 0.00 H new ATOM 942 N LEU A 68 -8.063 2.699 -5.932 1.00 0.00 N ATOM 943 CA LEU A 68 -8.835 2.250 -4.778 1.00 0.00 C ATOM 944 C LEU A 68 -10.170 2.983 -4.697 1.00 0.00 C ATOM 945 O LEU A 68 -10.423 3.918 -5.456 1.00 0.00 O ATOM 946 CB LEU A 68 -8.039 2.470 -3.490 1.00 0.00 C ATOM 947 CG LEU A 68 -6.582 2.007 -3.514 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.867 2.431 -2.241 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.505 0.498 -3.693 1.00 0.00 C ATOM 0 H LEU A 68 -7.656 3.629 -5.831 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.034 1.185 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.057 3.534 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.550 1.953 -2.678 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.084 2.479 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.831 2.093 -2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.891 3.517 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.365 1.987 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.461 0.186 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.019 0.007 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.980 0.218 -4.633 1.00 0.00 H new ATOM 961 N SER A 69 -11.019 2.554 -3.769 1.00 0.00 N ATOM 962 CA SER A 69 -12.329 3.168 -3.589 1.00 0.00 C ATOM 963 C SER A 69 -12.311 4.154 -2.424 1.00 0.00 C ATOM 964 O SER A 69 -11.635 3.950 -1.415 1.00 0.00 O ATOM 965 CB SER A 69 -13.391 2.094 -3.346 1.00 0.00 C ATOM 966 OG SER A 69 -13.848 1.544 -4.570 1.00 0.00 O ATOM 0 H SER A 69 -10.823 1.783 -3.130 1.00 0.00 H new ATOM 0 HA SER A 69 -12.576 3.713 -4.500 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.977 1.303 -2.720 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.231 2.525 -2.801 1.00 0.00 H new ATOM 0 HG SER A 69 -14.525 0.859 -4.388 1.00 0.00 H new ATOM 972 N PRO A 70 -13.072 5.249 -2.565 1.00 0.00 N ATOM 973 CA PRO A 70 -13.162 6.289 -1.536 1.00 0.00 C ATOM 974 C PRO A 70 -13.908 5.812 -0.294 1.00 0.00 C ATOM 975 O PRO A 70 -14.962 5.184 -0.393 1.00 0.00 O ATOM 976 CB PRO A 70 -13.942 7.409 -2.229 1.00 0.00 C ATOM 977 CG PRO A 70 -14.740 6.719 -3.281 1.00 0.00 C ATOM 978 CD PRO A 70 -13.904 5.557 -3.741 1.00 0.00 C ATOM 0 HA PRO A 70 -12.178 6.594 -1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.586 7.937 -1.526 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.270 8.149 -2.663 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.697 6.379 -2.884 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.960 7.393 -4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.522 4.707 -4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.295 5.818 -4.607 1.00 0.00 H new ATOM 986 N PHE A 71 -13.353 6.113 0.876 1.00 0.00 N ATOM 987 CA PHE A 71 -13.965 5.714 2.138 1.00 0.00 C ATOM 988 C PHE A 71 -13.864 4.205 2.338 1.00 0.00 C ATOM 989 O PHE A 71 -14.841 3.549 2.701 1.00 0.00 O ATOM 990 CB PHE A 71 -15.432 6.148 2.177 1.00 0.00 C ATOM 991 CG PHE A 71 -15.939 6.424 3.564 1.00 0.00 C ATOM 992 CD1 PHE A 71 -15.446 7.491 4.297 1.00 0.00 C ATOM 993 CD2 PHE A 71 -16.908 5.615 4.135 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.910 7.746 5.573 1.00 0.00 C ATOM 995 CE2 PHE A 71 -17.377 5.866 5.411 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.877 6.933 6.130 1.00 0.00 C ATOM 0 H PHE A 71 -12.481 6.632 0.976 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.426 6.207 2.947 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.554 7.045 1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -16.045 5.370 1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -14.690 8.131 3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.302 4.778 3.577 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -15.517 8.581 6.134 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -18.133 5.228 5.845 1.00 0.00 H new ATOM 0 HZ PHE A 71 -17.242 7.132 7.127 1.00 0.00 H new ATOM 1006 N SER A 72 -12.676 3.660 2.098 1.00 0.00 N ATOM 1007 CA SER A 72 -12.447 2.228 2.248 1.00 0.00 C ATOM 1008 C SER A 72 -11.191 1.961 3.071 1.00 0.00 C ATOM 1009 O SER A 72 -10.401 2.869 3.328 1.00 0.00 O ATOM 1010 CB SER A 72 -12.322 1.564 0.875 1.00 0.00 C ATOM 1011 OG SER A 72 -11.123 1.952 0.228 1.00 0.00 O ATOM 0 H SER A 72 -11.857 4.189 1.799 1.00 0.00 H new ATOM 0 HA SER A 72 -13.301 1.802 2.774 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.343 0.480 0.989 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.177 1.837 0.257 1.00 0.00 H new ATOM 0 HG SER A 72 -11.192 2.888 -0.055 1.00 0.00 H new ATOM 1017 N GLU A 73 -11.014 0.709 3.481 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.854 0.323 4.276 1.00 0.00 C ATOM 1019 C GLU A 73 -9.017 -0.723 3.544 1.00 0.00 C ATOM 1020 O GLU A 73 -9.539 -1.736 3.078 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.298 -0.223 5.635 1.00 0.00 C ATOM 1022 CG GLU A 73 -9.210 -0.176 6.694 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.192 1.136 7.454 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -10.282 1.690 7.708 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -8.088 1.609 7.795 1.00 0.00 O ATOM 0 H GLU A 73 -11.658 -0.055 3.276 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.241 1.210 4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.158 0.349 5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.630 -1.254 5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.356 -0.997 7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.240 -0.331 6.221 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.717 -0.469 3.447 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.808 -1.386 2.770 1.00 0.00 C ATOM 1034 C TYR A 74 -5.534 -1.590 3.584 1.00 0.00 C ATOM 1035 O TYR A 74 -5.090 -0.691 4.298 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.457 -0.855 1.379 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.511 -1.150 0.335 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.573 -0.280 0.127 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.444 -2.300 -0.442 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.539 -0.546 -0.825 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -8.404 -2.573 -1.397 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.449 -1.693 -1.585 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.408 -1.963 -2.534 1.00 0.00 O ATOM 0 H TYR A 74 -7.269 0.364 3.829 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.311 -2.347 2.669 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.307 0.223 1.438 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.510 -1.291 1.061 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.645 0.620 0.719 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.628 -2.992 -0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.360 0.141 -0.973 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.337 -3.471 -1.993 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.196 -2.809 -2.982 1.00 0.00 H new ATOM 1053 N ALA A 75 -4.951 -2.779 3.471 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.727 -3.102 4.193 1.00 0.00 C ATOM 1055 C ALA A 75 -2.520 -3.088 3.262 1.00 0.00 C ATOM 1056 O ALA A 75 -2.472 -3.828 2.279 1.00 0.00 O ATOM 1057 CB ALA A 75 -3.857 -4.457 4.872 1.00 0.00 C ATOM 0 H ALA A 75 -5.307 -3.535 2.886 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.573 -2.339 4.956 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.936 -4.686 5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.689 -4.433 5.576 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.040 -5.225 4.120 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.545 -2.240 3.576 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.338 -2.129 2.766 1.00 0.00 C ATOM 1065 C PHE A 76 0.840 -2.818 3.448 1.00 0.00 C ATOM 1066 O PHE A 76 1.011 -2.721 4.664 1.00 0.00 O ATOM 1067 CB PHE A 76 -0.004 -0.658 2.510 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.134 0.114 1.891 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -1.381 0.036 0.530 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -1.950 0.919 2.671 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -2.420 0.744 -0.043 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -2.990 1.630 2.104 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.225 1.543 0.745 1.00 0.00 C ATOM 0 H PHE A 76 -1.568 -1.620 4.386 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.523 -2.624 1.813 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.273 -0.187 3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.866 -0.600 1.856 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.753 -0.586 -0.091 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.771 0.991 3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.602 0.673 -1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.619 2.253 2.722 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.037 2.099 0.300 1.00 0.00 H new ATOM 1083 N ARG A 77 1.649 -3.515 2.657 1.00 0.00 N ATOM 1084 CA ARG A 77 2.810 -4.222 3.184 1.00 0.00 C ATOM 1085 C ARG A 77 3.903 -4.338 2.125 1.00 0.00 C ATOM 1086 O ARG A 77 3.701 -4.944 1.073 1.00 0.00 O ATOM 1087 CB ARG A 77 2.408 -5.615 3.671 1.00 0.00 C ATOM 1088 CG ARG A 77 1.803 -6.489 2.585 1.00 0.00 C ATOM 1089 CD ARG A 77 1.244 -7.782 3.157 1.00 0.00 C ATOM 1090 NE ARG A 77 0.423 -8.501 2.186 1.00 0.00 N ATOM 1091 CZ ARG A 77 -0.420 -9.474 2.513 1.00 0.00 C ATOM 1092 NH1 ARG A 77 -0.553 -9.842 3.780 1.00 0.00 N ATOM 1093 NH2 ARG A 77 -1.132 -10.080 1.572 1.00 0.00 N ATOM 0 H ARG A 77 1.522 -3.605 1.649 1.00 0.00 H new ATOM 0 HA ARG A 77 3.201 -3.649 4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.286 -6.115 4.081 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.690 -5.513 4.485 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.009 -5.942 2.076 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.562 -6.719 1.837 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.066 -8.421 3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.647 -7.559 4.041 1.00 0.00 H new ATOM 0 HE ARG A 77 0.501 -8.242 1.203 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.007 -9.378 4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.201 -10.589 4.029 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.032 -9.799 0.597 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.779 -10.827 1.824 1.00 0.00 H new ATOM 1107 N VAL A 78 5.061 -3.751 2.410 1.00 0.00 N ATOM 1108 CA VAL A 78 6.186 -3.789 1.483 1.00 0.00 C ATOM 1109 C VAL A 78 7.209 -4.838 1.903 1.00 0.00 C ATOM 1110 O VAL A 78 7.301 -5.196 3.078 1.00 0.00 O ATOM 1111 CB VAL A 78 6.881 -2.418 1.388 1.00 0.00 C ATOM 1112 CG1 VAL A 78 7.984 -2.449 0.341 1.00 0.00 C ATOM 1113 CG2 VAL A 78 5.868 -1.327 1.075 1.00 0.00 C ATOM 0 H VAL A 78 5.245 -3.243 3.275 1.00 0.00 H new ATOM 0 HA VAL A 78 5.782 -4.052 0.505 1.00 0.00 H new ATOM 0 HB VAL A 78 7.335 -2.194 2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.463 -1.471 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.724 -3.202 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.556 -2.696 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.377 -0.365 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.382 -1.544 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.118 -1.289 1.865 1.00 0.00 H new ATOM 1123 N LEU A 79 7.979 -5.326 0.936 1.00 0.00 N ATOM 1124 CA LEU A 79 8.998 -6.335 1.205 1.00 0.00 C ATOM 1125 C LEU A 79 10.141 -6.236 0.200 1.00 0.00 C ATOM 1126 O LEU A 79 9.917 -6.006 -0.988 1.00 0.00 O ATOM 1127 CB LEU A 79 8.383 -7.734 1.160 1.00 0.00 C ATOM 1128 CG LEU A 79 7.732 -8.139 -0.164 1.00 0.00 C ATOM 1129 CD1 LEU A 79 7.831 -9.642 -0.369 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.279 -7.687 -0.204 1.00 0.00 C ATOM 0 H LEU A 79 7.917 -5.039 -0.041 1.00 0.00 H new ATOM 0 HA LEU A 79 9.399 -6.154 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.162 -8.459 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.633 -7.805 1.947 1.00 0.00 H new ATOM 0 HG LEU A 79 8.267 -7.647 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.363 -9.912 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.880 -9.939 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.322 -10.155 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.832 -7.983 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.731 -8.151 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.232 -6.603 -0.104 1.00 0.00 H new ATOM 1142 N ALA A 80 11.365 -6.412 0.685 1.00 0.00 N ATOM 1143 CA ALA A 80 12.543 -6.347 -0.172 1.00 0.00 C ATOM 1144 C ALA A 80 12.717 -7.639 -0.965 1.00 0.00 C ATOM 1145 O ALA A 80 12.377 -8.722 -0.489 1.00 0.00 O ATOM 1146 CB ALA A 80 13.785 -6.064 0.659 1.00 0.00 C ATOM 0 H ALA A 80 11.567 -6.601 1.667 1.00 0.00 H new ATOM 0 HA ALA A 80 12.401 -5.532 -0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.657 -6.018 0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.668 -5.111 1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.922 -6.859 1.392 1.00 0.00 H new ATOM 1152 N VAL A 81 13.249 -7.517 -2.177 1.00 0.00 N ATOM 1153 CA VAL A 81 13.469 -8.674 -3.035 1.00 0.00 C ATOM 1154 C VAL A 81 14.838 -8.612 -3.702 1.00 0.00 C ATOM 1155 O VAL A 81 15.322 -7.536 -4.050 1.00 0.00 O ATOM 1156 CB VAL A 81 12.384 -8.780 -4.124 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.535 -10.077 -4.904 1.00 0.00 C ATOM 1158 CG2 VAL A 81 10.998 -8.677 -3.506 1.00 0.00 C ATOM 0 H VAL A 81 13.536 -6.628 -2.587 1.00 0.00 H new ATOM 0 HA VAL A 81 13.419 -9.555 -2.396 1.00 0.00 H new ATOM 0 HB VAL A 81 12.509 -7.950 -4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.760 -10.134 -5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.516 -10.104 -5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.437 -10.924 -4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.244 -8.754 -4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.859 -9.485 -2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.897 -7.718 -2.997 1.00 0.00 H new ATOM 1168 N ASN A 82 15.458 -9.775 -3.877 1.00 0.00 N ATOM 1169 CA ASN A 82 16.774 -9.853 -4.502 1.00 0.00 C ATOM 1170 C ASN A 82 16.928 -11.154 -5.283 1.00 0.00 C ATOM 1171 O ASN A 82 15.990 -11.944 -5.385 1.00 0.00 O ATOM 1172 CB ASN A 82 17.872 -9.747 -3.443 1.00 0.00 C ATOM 1173 CG ASN A 82 17.918 -10.961 -2.535 1.00 0.00 C ATOM 1174 OD1 ASN A 82 17.522 -12.059 -2.927 1.00 0.00 O ATOM 1175 ND2 ASN A 82 18.403 -10.768 -1.314 1.00 0.00 N ATOM 0 H ASN A 82 15.071 -10.676 -3.595 1.00 0.00 H new ATOM 0 HA ASN A 82 16.869 -9.019 -5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.837 -9.628 -3.935 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.708 -8.853 -2.842 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.459 -11.547 -0.658 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.720 -9.840 -1.032 1.00 0.00 H new ATOM 1182 N SER A 83 18.119 -11.370 -5.833 1.00 0.00 N ATOM 1183 CA SER A 83 18.396 -12.574 -6.607 1.00 0.00 C ATOM 1184 C SER A 83 18.030 -13.826 -5.816 1.00 0.00 C ATOM 1185 O SER A 83 17.547 -14.810 -6.378 1.00 0.00 O ATOM 1186 CB SER A 83 19.873 -12.622 -7.004 1.00 0.00 C ATOM 1187 OG SER A 83 20.147 -11.717 -8.060 1.00 0.00 O ATOM 0 H SER A 83 18.907 -10.727 -5.757 1.00 0.00 H new ATOM 0 HA SER A 83 17.785 -12.544 -7.509 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.493 -12.378 -6.141 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.138 -13.634 -7.310 1.00 0.00 H new ATOM 0 HG SER A 83 21.097 -11.765 -8.294 1.00 0.00 H new ATOM 1193 N ILE A 84 18.263 -13.781 -4.508 1.00 0.00 N ATOM 1194 CA ILE A 84 17.957 -14.910 -3.639 1.00 0.00 C ATOM 1195 C ILE A 84 16.454 -15.155 -3.564 1.00 0.00 C ATOM 1196 O ILE A 84 15.983 -16.267 -3.796 1.00 0.00 O ATOM 1197 CB ILE A 84 18.502 -14.688 -2.215 1.00 0.00 C ATOM 1198 CG1 ILE A 84 19.960 -14.228 -2.269 1.00 0.00 C ATOM 1199 CG2 ILE A 84 18.372 -15.962 -1.394 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.892 -15.247 -2.886 1.00 0.00 C ATOM 0 H ILE A 84 18.663 -12.975 -4.028 1.00 0.00 H new ATOM 0 HA ILE A 84 18.443 -15.783 -4.073 1.00 0.00 H new ATOM 0 HB ILE A 84 17.913 -13.907 -1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 84 20.019 -13.301 -2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 84 20.299 -14.002 -1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 84 18.761 -15.790 -0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.322 -16.249 -1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.939 -16.761 -1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.909 -14.854 -2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.862 -16.167 -2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 84 20.578 -15.455 -3.909 1.00 0.00 H new ATOM 1212 N GLY A 85 15.705 -14.105 -3.239 1.00 0.00 N ATOM 1213 CA GLY A 85 14.262 -14.226 -3.141 1.00 0.00 C ATOM 1214 C GLY A 85 13.638 -13.099 -2.343 1.00 0.00 C ATOM 1215 O GLY A 85 14.338 -12.358 -1.652 1.00 0.00 O ATOM 0 H GLY A 85 16.072 -13.174 -3.042 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.833 -14.238 -4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 85 14.011 -15.179 -2.675 1.00 0.00 H new ATOM 1219 N ARG A 86 12.319 -12.967 -2.439 1.00 0.00 N ATOM 1220 CA ARG A 86 11.602 -11.919 -1.722 1.00 0.00 C ATOM 1221 C ARG A 86 11.458 -12.272 -0.245 1.00 0.00 C ATOM 1222 O ARG A 86 10.868 -13.293 0.106 1.00 0.00 O ATOM 1223 CB ARG A 86 10.221 -11.701 -2.343 1.00 0.00 C ATOM 1224 CG ARG A 86 9.382 -12.966 -2.422 1.00 0.00 C ATOM 1225 CD ARG A 86 8.012 -12.690 -3.020 1.00 0.00 C ATOM 1226 NE ARG A 86 8.009 -12.837 -4.473 1.00 0.00 N ATOM 1227 CZ ARG A 86 7.950 -14.010 -5.093 1.00 0.00 C ATOM 1228 NH1 ARG A 86 7.888 -15.133 -4.390 1.00 0.00 N ATOM 1229 NH2 ARG A 86 7.951 -14.063 -6.419 1.00 0.00 N ATOM 0 H ARG A 86 11.725 -13.572 -3.006 1.00 0.00 H new ATOM 0 HA ARG A 86 12.179 -10.998 -1.803 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.683 -10.954 -1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.343 -11.293 -3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.900 -13.710 -3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.266 -13.390 -1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.282 -13.373 -2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.699 -11.680 -2.757 1.00 0.00 H new ATOM 0 HE ARG A 86 8.055 -11.992 -5.043 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.886 -15.097 -3.371 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.843 -16.033 -4.869 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.997 -13.202 -6.964 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.906 -14.965 -6.893 1.00 0.00 H new ATOM 1243 N GLY A 87 12.003 -11.419 0.618 1.00 0.00 N ATOM 1244 CA GLY A 87 11.925 -11.659 2.047 1.00 0.00 C ATOM 1245 C GLY A 87 10.509 -11.550 2.577 1.00 0.00 C ATOM 1246 O GLY A 87 9.551 -11.394 1.820 1.00 0.00 O ATOM 0 H GLY A 87 12.497 -10.567 0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.317 -12.652 2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.561 -10.943 2.568 1.00 0.00 H new ATOM 1250 N PRO A 88 10.362 -11.636 3.907 1.00 0.00 N ATOM 1251 CA PRO A 88 9.056 -11.550 4.567 1.00 0.00 C ATOM 1252 C PRO A 88 8.460 -10.148 4.493 1.00 0.00 C ATOM 1253 O PRO A 88 9.171 -9.151 4.365 1.00 0.00 O ATOM 1254 CB PRO A 88 9.367 -11.923 6.019 1.00 0.00 C ATOM 1255 CG PRO A 88 10.804 -11.575 6.200 1.00 0.00 C ATOM 1256 CD PRO A 88 11.461 -11.822 4.870 1.00 0.00 C ATOM 0 HA PRO A 88 8.317 -12.198 4.095 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.735 -11.370 6.714 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.190 -12.983 6.202 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.918 -10.535 6.504 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.258 -12.187 6.979 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.277 -11.122 4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.882 -12.825 4.810 1.00 0.00 H new ATOM 1264 N PRO A 89 7.124 -10.067 4.576 1.00 0.00 N ATOM 1265 CA PRO A 89 6.403 -8.792 4.521 1.00 0.00 C ATOM 1266 C PRO A 89 6.630 -7.945 5.769 1.00 0.00 C ATOM 1267 O PRO A 89 6.765 -8.472 6.873 1.00 0.00 O ATOM 1268 CB PRO A 89 4.936 -9.217 4.423 1.00 0.00 C ATOM 1269 CG PRO A 89 4.892 -10.571 5.044 1.00 0.00 C ATOM 1270 CD PRO A 89 6.214 -11.215 4.729 1.00 0.00 C ATOM 0 HA PRO A 89 6.737 -8.170 3.690 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.285 -8.519 4.949 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.600 -9.246 3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.739 -10.501 6.121 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.066 -11.158 4.642 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.538 -11.881 5.529 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.163 -11.812 3.818 1.00 0.00 H new ATOM 1278 N SER A 90 6.669 -6.629 5.585 1.00 0.00 N ATOM 1279 CA SER A 90 6.883 -5.708 6.696 1.00 0.00 C ATOM 1280 C SER A 90 5.598 -5.515 7.496 1.00 0.00 C ATOM 1281 O SER A 90 4.507 -5.835 7.024 1.00 0.00 O ATOM 1282 CB SER A 90 7.384 -4.359 6.179 1.00 0.00 C ATOM 1283 OG SER A 90 7.430 -3.399 7.220 1.00 0.00 O ATOM 0 H SER A 90 6.555 -6.177 4.678 1.00 0.00 H new ATOM 0 HA SER A 90 7.638 -6.139 7.353 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.377 -4.478 5.746 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.729 -4.005 5.383 1.00 0.00 H new ATOM 0 HG SER A 90 8.345 -3.060 7.312 1.00 0.00 H new ATOM 1289 N GLU A 91 5.737 -4.987 8.708 1.00 0.00 N ATOM 1290 CA GLU A 91 4.587 -4.752 9.574 1.00 0.00 C ATOM 1291 C GLU A 91 3.407 -4.206 8.774 1.00 0.00 C ATOM 1292 O GLU A 91 3.334 -3.011 8.493 1.00 0.00 O ATOM 1293 CB GLU A 91 4.955 -3.774 10.692 1.00 0.00 C ATOM 1294 CG GLU A 91 5.601 -4.441 11.895 1.00 0.00 C ATOM 1295 CD GLU A 91 5.589 -3.558 13.128 1.00 0.00 C ATOM 1296 OE1 GLU A 91 4.487 -3.187 13.582 1.00 0.00 O ATOM 1297 OE2 GLU A 91 6.684 -3.238 13.638 1.00 0.00 O ATOM 0 H GLU A 91 6.633 -4.714 9.112 1.00 0.00 H new ATOM 0 HA GLU A 91 4.295 -5.705 10.015 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.636 -3.021 10.295 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.055 -3.251 11.017 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.078 -5.372 12.114 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.630 -4.704 11.651 1.00 0.00 H new ATOM 1304 N ALA A 92 2.485 -5.092 8.412 1.00 0.00 N ATOM 1305 CA ALA A 92 1.308 -4.701 7.647 1.00 0.00 C ATOM 1306 C ALA A 92 0.569 -3.552 8.325 1.00 0.00 C ATOM 1307 O ALA A 92 0.178 -3.653 9.488 1.00 0.00 O ATOM 1308 CB ALA A 92 0.379 -5.892 7.461 1.00 0.00 C ATOM 0 H ALA A 92 2.531 -6.086 8.637 1.00 0.00 H new ATOM 0 HA ALA A 92 1.640 -4.357 6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.496 -5.585 6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.904 -6.683 6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.062 -6.262 8.436 1.00 0.00 H new ATOM 1314 N VAL A 93 0.383 -2.459 7.592 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.309 -1.291 8.123 1.00 0.00 C ATOM 1316 C VAL A 93 -1.678 -1.120 7.473 1.00 0.00 C ATOM 1317 O VAL A 93 -1.902 -1.569 6.348 1.00 0.00 O ATOM 1318 CB VAL A 93 0.513 -0.006 7.909 1.00 0.00 C ATOM 1319 CG1 VAL A 93 1.875 -0.126 8.575 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.660 0.290 6.424 1.00 0.00 C ATOM 0 H VAL A 93 0.702 -2.358 6.628 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.436 -1.458 9.193 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.018 0.826 8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.441 0.791 8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.744 -0.287 9.645 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.417 -0.968 8.145 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.243 1.201 6.291 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.169 -0.541 5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.327 0.423 5.980 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.589 -0.469 8.188 1.00 0.00 N ATOM 1331 CA ARG A 94 -3.937 -0.239 7.681 1.00 0.00 C ATOM 1332 C ARG A 94 -4.223 1.254 7.556 1.00 0.00 C ATOM 1333 O ARG A 94 -4.092 2.004 8.523 1.00 0.00 O ATOM 1334 CB ARG A 94 -4.969 -0.893 8.601 1.00 0.00 C ATOM 1335 CG ARG A 94 -5.124 -2.388 8.377 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.413 -2.913 8.992 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.245 -3.260 10.400 1.00 0.00 N ATOM 1338 CZ ARG A 94 -6.332 -2.379 11.390 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -6.583 -1.104 11.127 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -6.167 -2.772 12.647 1.00 0.00 N ATOM 0 H ARG A 94 -2.419 -0.091 9.120 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.008 -0.688 6.691 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.682 -0.717 9.638 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.935 -0.410 8.451 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.117 -2.599 7.308 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.273 -2.912 8.811 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.194 -2.159 8.895 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.747 -3.791 8.439 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.050 -4.233 10.637 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.710 -0.798 10.162 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.649 -0.429 11.889 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.973 -3.752 12.854 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.234 -2.094 13.406 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.615 1.678 6.359 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.922 3.081 6.109 1.00 0.00 C ATOM 1356 C ALA A 95 -6.217 3.227 5.317 1.00 0.00 C ATOM 1357 O ALA A 95 -6.352 2.680 4.223 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.771 3.749 5.370 1.00 0.00 C ATOM 0 H ALA A 95 -4.727 1.070 5.548 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.058 3.575 7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.013 4.796 5.190 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.865 3.685 5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.609 3.245 4.417 1.00 0.00 H new ATOM 1364 N ARG A 96 -7.167 3.967 5.878 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.453 4.183 5.225 1.00 0.00 C ATOM 1366 C ARG A 96 -8.411 5.424 4.338 1.00 0.00 C ATOM 1367 O ARG A 96 -8.070 6.516 4.794 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.562 4.327 6.269 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.939 3.944 5.752 1.00 0.00 C ATOM 1370 CD ARG A 96 -12.035 4.386 6.709 1.00 0.00 C ATOM 1371 NE ARG A 96 -11.894 3.769 8.025 1.00 0.00 N ATOM 1372 CZ ARG A 96 -12.786 3.906 9.000 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -13.877 4.634 8.808 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -12.587 3.314 10.171 1.00 0.00 N ATOM 0 H ARG A 96 -7.071 4.427 6.783 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.664 3.316 4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.321 3.705 7.131 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.589 5.359 6.618 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.102 4.399 4.775 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.989 2.864 5.613 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.010 5.471 6.813 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.008 4.128 6.290 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.066 3.202 8.205 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.034 5.091 7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.560 4.737 9.559 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.749 2.753 10.323 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.272 3.420 10.919 1.00 0.00 H new ATOM 1388 N THR A 97 -8.759 5.249 3.067 1.00 0.00 N ATOM 1389 CA THR A 97 -8.760 6.353 2.116 1.00 0.00 C ATOM 1390 C THR A 97 -9.856 7.360 2.443 1.00 0.00 C ATOM 1391 O THR A 97 -10.852 7.023 3.081 1.00 0.00 O ATOM 1392 CB THR A 97 -8.953 5.851 0.673 1.00 0.00 C ATOM 1393 OG1 THR A 97 -10.329 5.524 0.448 1.00 0.00 O ATOM 1394 CG2 THR A 97 -8.086 4.631 0.403 1.00 0.00 C ATOM 0 H THR A 97 -9.044 4.353 2.673 1.00 0.00 H new ATOM 0 HA THR A 97 -7.788 6.840 2.196 1.00 0.00 H new ATOM 0 HB THR A 97 -8.653 6.647 -0.008 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.400 4.913 -0.315 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.240 4.295 -0.622 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.037 4.891 0.546 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.359 3.831 1.092 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.667 8.600 2.000 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.649 9.637 2.255 1.00 0.00 C ATOM 1404 C GLY A 98 -11.845 9.544 1.328 1.00 0.00 C ATOM 1405 O GLY A 98 -11.912 8.654 0.480 1.00 0.00 O ATOM 0 H GLY A 98 -8.851 8.904 1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.988 9.566 3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.179 10.614 2.140 1.00 0.00 H new