USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=22 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 -111:sc= 0.959 USER MOD Set 1.2: A 97 THR OG1 : rot -173:sc= 1.33 USER MOD Set 2.1: A 43 TYR OH : rot 84:sc= 1.16 USER MOD Set 2.2: A 53 GLN : amide:sc= -2.26! K(o=-1.1!,f=-3.7) 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 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 32:sc= 0.243 USER MOD Single : A 25 THR OG1 : rot -170:sc= -0.0335 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.00571 K(o=0.0057,f=-6.5!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.771 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 147:sc= -0.866 USER MOD Single : A 42 GLN : amide:sc= 0.0185 K(o=0.019,f=-1.7) USER MOD Single : A 60 THR OG1 : rot 113:sc= 0.17 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00846 USER MOD Single : A 63 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 64 SER OG : rot 68:sc= 1.12 USER MOD Single : A 69 SER OG : rot 180:sc= -0.684 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.4 K(o=-1.4,f=-10!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 114:sc= 0.939 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 16.838 -15.135 2.007 1.00 0.00 N ATOM 60 CA GLY A 7 16.644 -13.924 1.231 1.00 0.00 C ATOM 61 C GLY A 7 16.855 -12.668 2.054 1.00 0.00 C ATOM 62 O GLY A 7 17.401 -12.707 3.156 1.00 0.00 O ATOM 0 HA2 GLY A 7 17.334 -13.922 0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.635 -13.919 0.818 1.00 0.00 H new ATOM 66 N PRO A 8 16.417 -11.521 1.513 1.00 0.00 N ATOM 67 CA PRO A 8 16.551 -10.227 2.187 1.00 0.00 C ATOM 68 C PRO A 8 15.644 -10.112 3.407 1.00 0.00 C ATOM 69 O PRO A 8 14.957 -11.065 3.775 1.00 0.00 O ATOM 70 CB PRO A 8 16.131 -9.222 1.112 1.00 0.00 C ATOM 71 CG PRO A 8 15.233 -9.991 0.205 1.00 0.00 C ATOM 72 CD PRO A 8 15.757 -11.401 0.202 1.00 0.00 C ATOM 0 HA PRO A 8 17.560 -10.068 2.567 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.615 -8.367 1.549 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.996 -8.832 0.575 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.202 -9.959 0.557 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.240 -9.570 -0.800 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.953 -12.128 0.088 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.456 -11.568 -0.617 1.00 0.00 H new ATOM 80 N LYS A 9 15.647 -8.939 4.032 1.00 0.00 N ATOM 81 CA LYS A 9 14.823 -8.697 5.211 1.00 0.00 C ATOM 82 C LYS A 9 13.689 -7.728 4.893 1.00 0.00 C ATOM 83 O LYS A 9 13.752 -6.952 3.939 1.00 0.00 O ATOM 84 CB LYS A 9 15.679 -8.141 6.351 1.00 0.00 C ATOM 85 CG LYS A 9 16.464 -9.206 7.098 1.00 0.00 C ATOM 86 CD LYS A 9 16.654 -8.836 8.559 1.00 0.00 C ATOM 87 CE LYS A 9 15.525 -9.378 9.422 1.00 0.00 C ATOM 88 NZ LYS A 9 15.291 -8.531 10.625 1.00 0.00 N ATOM 0 H LYS A 9 16.211 -8.141 3.741 1.00 0.00 H new ATOM 0 HA LYS A 9 14.388 -9.647 5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.375 -7.406 5.946 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.034 -7.616 7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.942 -10.160 7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.437 -9.340 6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.606 -9.230 8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 9 16.701 -7.751 8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.610 -9.431 8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.763 -10.395 9.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.514 -8.934 11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.156 -8.500 11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.039 -7.567 10.327 1.00 0.00 H new ATOM 102 N PRO A 10 12.626 -7.772 5.709 1.00 0.00 N ATOM 103 CA PRO A 10 11.458 -6.903 5.536 1.00 0.00 C ATOM 104 C PRO A 10 11.768 -5.445 5.857 1.00 0.00 C ATOM 105 O PRO A 10 12.599 -5.135 6.711 1.00 0.00 O ATOM 106 CB PRO A 10 10.445 -7.466 6.535 1.00 0.00 C ATOM 107 CG PRO A 10 11.272 -8.134 7.578 1.00 0.00 C ATOM 108 CD PRO A 10 12.482 -8.673 6.865 1.00 0.00 C ATOM 0 HA PRO A 10 11.103 -6.898 4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.830 -6.675 6.964 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.767 -8.172 6.056 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.560 -7.429 8.358 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.715 -8.936 8.063 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.366 -8.653 7.502 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.337 -9.707 6.553 1.00 0.00 H new ATOM 116 N PRO A 11 11.086 -4.526 5.157 1.00 0.00 N ATOM 117 CA PRO A 11 11.271 -3.085 5.351 1.00 0.00 C ATOM 118 C PRO A 11 10.730 -2.607 6.694 1.00 0.00 C ATOM 119 O PRO A 11 9.868 -3.252 7.292 1.00 0.00 O ATOM 120 CB PRO A 11 10.471 -2.466 4.202 1.00 0.00 C ATOM 121 CG PRO A 11 9.440 -3.487 3.865 1.00 0.00 C ATOM 122 CD PRO A 11 10.080 -4.823 4.123 1.00 0.00 C ATOM 0 HA PRO A 11 12.325 -2.806 5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.012 -1.524 4.502 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.110 -2.251 3.346 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.548 -3.357 4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.128 -3.398 2.824 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.352 -5.557 4.470 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.538 -5.230 3.222 1.00 0.00 H new ATOM 130 N ILE A 12 11.241 -1.473 7.163 1.00 0.00 N ATOM 131 CA ILE A 12 10.807 -0.908 8.435 1.00 0.00 C ATOM 132 C ILE A 12 10.266 0.506 8.253 1.00 0.00 C ATOM 133 O ILE A 12 10.321 1.066 7.158 1.00 0.00 O ATOM 134 CB ILE A 12 11.956 -0.878 9.459 1.00 0.00 C ATOM 135 CG1 ILE A 12 13.091 0.018 8.958 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.465 -2.287 9.726 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.099 0.372 10.030 1.00 0.00 C ATOM 0 H ILE A 12 11.956 -0.928 6.681 1.00 0.00 H new ATOM 0 HA ILE A 12 10.013 -1.553 8.811 1.00 0.00 H new ATOM 0 HB ILE A 12 11.578 -0.466 10.395 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.605 -0.484 8.139 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.666 0.936 8.552 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.277 -2.249 10.452 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.654 -2.898 10.121 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.829 -2.724 8.797 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.875 1.009 9.604 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.598 0.903 10.840 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.551 -0.540 10.419 1.00 0.00 H new ATOM 149 N ASP A 13 9.746 1.078 9.333 1.00 0.00 N ATOM 150 CA ASP A 13 9.197 2.429 9.294 1.00 0.00 C ATOM 151 C ASP A 13 8.063 2.525 8.278 1.00 0.00 C ATOM 152 O ASP A 13 7.930 3.527 7.574 1.00 0.00 O ATOM 153 CB ASP A 13 10.294 3.437 8.950 1.00 0.00 C ATOM 154 CG ASP A 13 10.032 4.805 9.550 1.00 0.00 C ATOM 155 OD1 ASP A 13 8.848 5.175 9.686 1.00 0.00 O ATOM 156 OD2 ASP A 13 11.012 5.504 9.883 1.00 0.00 O ATOM 0 H ASP A 13 9.693 0.628 10.247 1.00 0.00 H new ATOM 0 HA ASP A 13 8.797 2.662 10.281 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.253 3.063 9.310 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.373 3.528 7.867 1.00 0.00 H new ATOM 161 N LEU A 14 7.249 1.478 8.206 1.00 0.00 N ATOM 162 CA LEU A 14 6.126 1.444 7.275 1.00 0.00 C ATOM 163 C LEU A 14 5.006 2.368 7.740 1.00 0.00 C ATOM 164 O LEU A 14 4.242 2.030 8.644 1.00 0.00 O ATOM 165 CB LEU A 14 5.599 0.015 7.134 1.00 0.00 C ATOM 166 CG LEU A 14 4.869 -0.305 5.829 1.00 0.00 C ATOM 167 CD1 LEU A 14 5.815 -0.177 4.644 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.266 -1.701 5.884 1.00 0.00 C ATOM 0 H LEU A 14 7.345 0.641 8.781 1.00 0.00 H new ATOM 0 HA LEU A 14 6.479 1.792 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.439 -0.672 7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.922 -0.185 7.964 1.00 0.00 H new ATOM 0 HG LEU A 14 4.060 0.414 5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.279 -0.408 3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.199 0.842 4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.645 -0.873 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.750 -1.912 4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.059 -2.434 6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.557 -1.759 6.709 1.00 0.00 H new ATOM 180 N VAL A 15 4.912 3.537 7.114 1.00 0.00 N ATOM 181 CA VAL A 15 3.882 4.510 7.461 1.00 0.00 C ATOM 182 C VAL A 15 3.414 5.277 6.230 1.00 0.00 C ATOM 183 O VAL A 15 4.167 5.456 5.273 1.00 0.00 O ATOM 184 CB VAL A 15 4.389 5.512 8.515 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.237 6.015 9.372 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.468 4.876 9.379 1.00 0.00 C ATOM 0 H VAL A 15 5.536 3.833 6.364 1.00 0.00 H new ATOM 0 HA VAL A 15 3.044 3.950 7.877 1.00 0.00 H new ATOM 0 HB VAL A 15 4.826 6.366 7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.615 6.722 10.111 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.502 6.511 8.738 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.768 5.173 9.882 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.815 5.598 10.118 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.059 4.003 9.888 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.304 4.570 8.750 1.00 0.00 H new ATOM 196 N VAL A 16 2.165 5.730 6.262 1.00 0.00 N ATOM 197 CA VAL A 16 1.595 6.481 5.149 1.00 0.00 C ATOM 198 C VAL A 16 1.596 7.978 5.438 1.00 0.00 C ATOM 199 O VAL A 16 1.073 8.425 6.459 1.00 0.00 O ATOM 200 CB VAL A 16 0.154 6.028 4.845 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.586 5.704 6.134 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.583 7.096 4.051 1.00 0.00 C ATOM 0 H VAL A 16 1.528 5.590 7.046 1.00 0.00 H new ATOM 0 HA VAL A 16 2.221 6.282 4.279 1.00 0.00 H new ATOM 0 HB VAL A 16 0.195 5.122 4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.602 5.386 5.900 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.067 4.903 6.660 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.620 6.591 6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.599 6.760 3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.617 8.020 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.062 7.274 3.110 1.00 0.00 H new ATOM 212 N THR A 17 2.186 8.750 4.531 1.00 0.00 N ATOM 213 CA THR A 17 2.256 10.197 4.688 1.00 0.00 C ATOM 214 C THR A 17 1.014 10.873 4.117 1.00 0.00 C ATOM 215 O THR A 17 0.435 11.758 4.745 1.00 0.00 O ATOM 216 CB THR A 17 3.505 10.778 3.998 1.00 0.00 C ATOM 217 OG1 THR A 17 3.635 12.169 4.310 1.00 0.00 O ATOM 218 CG2 THR A 17 3.423 10.597 2.490 1.00 0.00 C ATOM 0 H THR A 17 2.623 8.397 3.679 1.00 0.00 H new ATOM 0 HA THR A 17 2.316 10.396 5.758 1.00 0.00 H new ATOM 0 HB THR A 17 4.379 10.241 4.366 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.432 12.530 3.869 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.316 11.015 2.024 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.354 9.535 2.254 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.541 11.111 2.109 1.00 0.00 H new ATOM 226 N GLU A 18 0.610 10.448 2.924 1.00 0.00 N ATOM 227 CA GLU A 18 -0.564 11.013 2.270 1.00 0.00 C ATOM 228 C GLU A 18 -1.569 9.921 1.916 1.00 0.00 C ATOM 229 O GLU A 18 -1.196 8.773 1.668 1.00 0.00 O ATOM 230 CB GLU A 18 -0.155 11.773 1.006 1.00 0.00 C ATOM 231 CG GLU A 18 0.383 13.167 1.282 1.00 0.00 C ATOM 232 CD GLU A 18 0.400 14.041 0.043 1.00 0.00 C ATOM 233 OE1 GLU A 18 -0.654 14.157 -0.615 1.00 0.00 O ATOM 234 OE2 GLU A 18 1.468 14.609 -0.268 1.00 0.00 O ATOM 0 H GLU A 18 1.078 9.715 2.391 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.037 11.706 2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.604 11.198 0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.017 11.850 0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.228 13.643 2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.394 13.090 1.682 1.00 0.00 H new ATOM 241 N THR A 19 -2.848 10.284 1.896 1.00 0.00 N ATOM 242 CA THR A 19 -3.907 9.337 1.575 1.00 0.00 C ATOM 243 C THR A 19 -4.978 9.983 0.704 1.00 0.00 C ATOM 244 O THR A 19 -5.724 10.851 1.160 1.00 0.00 O ATOM 245 CB THR A 19 -4.566 8.778 2.850 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.600 9.787 3.866 1.00 0.00 O ATOM 247 CG2 THR A 19 -3.810 7.561 3.362 1.00 0.00 C ATOM 0 H THR A 19 -3.175 11.229 2.099 1.00 0.00 H new ATOM 0 HA THR A 19 -3.442 8.518 1.026 1.00 0.00 H new ATOM 0 HB THR A 19 -5.584 8.476 2.604 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.022 9.425 4.673 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.294 7.184 4.263 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.811 6.784 2.598 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.782 7.842 3.593 1.00 0.00 H new ATOM 255 N THR A 20 -5.051 9.555 -0.552 1.00 0.00 N ATOM 256 CA THR A 20 -6.031 10.093 -1.488 1.00 0.00 C ATOM 257 C THR A 20 -7.298 9.246 -1.504 1.00 0.00 C ATOM 258 O THR A 20 -7.314 8.126 -0.992 1.00 0.00 O ATOM 259 CB THR A 20 -5.460 10.171 -2.916 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.036 10.316 -2.868 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.068 11.338 -3.679 1.00 0.00 C ATOM 0 H THR A 20 -4.443 8.837 -0.945 1.00 0.00 H new ATOM 0 HA THR A 20 -6.275 11.099 -1.147 1.00 0.00 H new ATOM 0 HB THR A 20 -5.713 9.247 -3.435 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.681 10.363 -3.780 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.649 11.373 -4.685 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.149 11.209 -3.740 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.842 12.269 -3.160 1.00 0.00 H new ATOM 269 N ALA A 21 -8.358 9.786 -2.096 1.00 0.00 N ATOM 270 CA ALA A 21 -9.629 9.078 -2.181 1.00 0.00 C ATOM 271 C ALA A 21 -9.499 7.817 -3.029 1.00 0.00 C ATOM 272 O ALA A 21 -10.183 6.822 -2.790 1.00 0.00 O ATOM 273 CB ALA A 21 -10.705 9.991 -2.750 1.00 0.00 C ATOM 0 H ALA A 21 -8.362 10.712 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.918 8.779 -1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.649 9.449 -2.808 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.825 10.860 -2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.413 10.319 -3.748 1.00 0.00 H new ATOM 279 N THR A 22 -8.617 7.866 -4.023 1.00 0.00 N ATOM 280 CA THR A 22 -8.399 6.729 -4.908 1.00 0.00 C ATOM 281 C THR A 22 -6.920 6.369 -4.986 1.00 0.00 C ATOM 282 O THR A 22 -6.499 5.623 -5.870 1.00 0.00 O ATOM 283 CB THR A 22 -8.922 7.015 -6.328 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.310 8.201 -6.847 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.434 7.179 -6.325 1.00 0.00 C ATOM 0 H THR A 22 -8.042 8.682 -4.235 1.00 0.00 H new ATOM 0 HA THR A 22 -8.952 5.890 -4.487 1.00 0.00 H new ATOM 0 HB THR A 22 -8.665 6.167 -6.963 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.647 8.374 -7.751 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.780 7.380 -7.339 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.899 6.264 -5.958 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.708 8.011 -5.676 1.00 0.00 H new ATOM 293 N SER A 23 -6.135 6.904 -4.056 1.00 0.00 N ATOM 294 CA SER A 23 -4.701 6.641 -4.022 1.00 0.00 C ATOM 295 C SER A 23 -4.155 6.788 -2.605 1.00 0.00 C ATOM 296 O SER A 23 -4.864 7.222 -1.696 1.00 0.00 O ATOM 297 CB SER A 23 -3.964 7.593 -4.966 1.00 0.00 C ATOM 298 OG SER A 23 -3.855 7.039 -6.266 1.00 0.00 O ATOM 0 H SER A 23 -6.468 7.522 -3.316 1.00 0.00 H new ATOM 0 HA SER A 23 -4.537 5.615 -4.351 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.495 8.544 -5.016 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.970 7.803 -4.572 1.00 0.00 H new ATOM 0 HG SER A 23 -4.636 6.476 -6.448 1.00 0.00 H new ATOM 304 N VAL A 24 -2.890 6.423 -2.424 1.00 0.00 N ATOM 305 CA VAL A 24 -2.247 6.515 -1.119 1.00 0.00 C ATOM 306 C VAL A 24 -0.730 6.563 -1.255 1.00 0.00 C ATOM 307 O VAL A 24 -0.165 6.054 -2.225 1.00 0.00 O ATOM 308 CB VAL A 24 -2.633 5.326 -0.218 1.00 0.00 C ATOM 309 CG1 VAL A 24 -2.528 4.017 -0.987 1.00 0.00 C ATOM 310 CG2 VAL A 24 -1.758 5.294 1.026 1.00 0.00 C ATOM 0 H VAL A 24 -2.290 6.061 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.597 7.439 -0.659 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.669 5.453 0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.804 3.189 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.201 4.044 -1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.504 3.880 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.045 4.448 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.713 5.191 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.889 6.220 1.587 1.00 0.00 H new ATOM 320 N THR A 25 -0.072 7.180 -0.278 1.00 0.00 N ATOM 321 CA THR A 25 1.381 7.296 -0.289 1.00 0.00 C ATOM 322 C THR A 25 1.996 6.618 0.930 1.00 0.00 C ATOM 323 O THR A 25 1.834 7.083 2.059 1.00 0.00 O ATOM 324 CB THR A 25 1.826 8.770 -0.322 1.00 0.00 C ATOM 325 OG1 THR A 25 1.072 9.488 -1.305 1.00 0.00 O ATOM 326 CG2 THR A 25 3.311 8.880 -0.635 1.00 0.00 C ATOM 0 H THR A 25 -0.523 7.607 0.531 1.00 0.00 H new ATOM 0 HA THR A 25 1.731 6.798 -1.193 1.00 0.00 H new ATOM 0 HB THR A 25 1.645 9.203 0.662 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.463 10.377 -1.432 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.602 9.930 -0.653 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.884 8.358 0.131 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.512 8.431 -1.608 1.00 0.00 H new ATOM 334 N LEU A 26 2.703 5.518 0.695 1.00 0.00 N ATOM 335 CA LEU A 26 3.344 4.776 1.775 1.00 0.00 C ATOM 336 C LEU A 26 4.860 4.931 1.717 1.00 0.00 C ATOM 337 O LEU A 26 5.453 4.947 0.638 1.00 0.00 O ATOM 338 CB LEU A 26 2.968 3.295 1.696 1.00 0.00 C ATOM 339 CG LEU A 26 3.120 2.494 2.990 1.00 0.00 C ATOM 340 CD1 LEU A 26 1.959 2.776 3.932 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.215 1.006 2.688 1.00 0.00 C ATOM 0 H LEU A 26 2.847 5.120 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 26 2.991 5.184 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.932 3.221 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.582 2.825 0.927 1.00 0.00 H new ATOM 0 HG LEU A 26 4.043 2.804 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.084 2.197 4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.937 3.838 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.023 2.494 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.323 0.452 3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.310 0.680 2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.080 0.818 2.052 1.00 0.00 H new ATOM 353 N THR A 27 5.484 5.043 2.886 1.00 0.00 N ATOM 354 CA THR A 27 6.931 5.196 2.969 1.00 0.00 C ATOM 355 C THR A 27 7.542 4.147 3.891 1.00 0.00 C ATOM 356 O THR A 27 6.833 3.482 4.646 1.00 0.00 O ATOM 357 CB THR A 27 7.320 6.598 3.476 1.00 0.00 C ATOM 358 OG1 THR A 27 6.482 6.971 4.575 1.00 0.00 O ATOM 359 CG2 THR A 27 7.195 7.628 2.364 1.00 0.00 C ATOM 0 H THR A 27 5.009 5.031 3.789 1.00 0.00 H new ATOM 0 HA THR A 27 7.322 5.062 1.960 1.00 0.00 H new ATOM 0 HB THR A 27 8.358 6.567 3.806 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.736 7.863 4.893 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.475 8.610 2.745 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.856 7.356 1.541 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.165 7.656 2.008 1.00 0.00 H new ATOM 367 N TRP A 28 8.861 4.005 3.825 1.00 0.00 N ATOM 368 CA TRP A 28 9.568 3.037 4.655 1.00 0.00 C ATOM 369 C TRP A 28 11.077 3.165 4.476 1.00 0.00 C ATOM 370 O TRP A 28 11.548 3.925 3.630 1.00 0.00 O ATOM 371 CB TRP A 28 9.120 1.615 4.311 1.00 0.00 C ATOM 372 CG TRP A 28 9.460 1.209 2.909 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.598 0.578 2.492 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.657 1.406 1.741 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.550 0.372 1.135 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.369 0.869 0.650 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.404 1.981 1.510 1.00 0.00 C ATOM 378 CZ2 TRP A 28 8.870 0.894 -0.649 1.00 0.00 C ATOM 379 CZ3 TRP A 28 6.910 2.005 0.219 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.641 1.463 -0.846 1.00 0.00 C ATOM 0 H TRP A 28 9.462 4.548 3.205 1.00 0.00 H new ATOM 0 HA TRP A 28 9.326 3.245 5.697 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.585 0.917 5.007 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.042 1.537 4.453 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.415 0.285 3.135 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.276 -0.078 0.578 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.832 2.399 2.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.433 0.479 -1.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.944 2.449 0.028 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.226 1.495 -1.843 1.00 0.00 H new ATOM 391 N ASP A 29 11.828 2.418 5.277 1.00 0.00 N ATOM 392 CA ASP A 29 13.285 2.447 5.206 1.00 0.00 C ATOM 393 C ASP A 29 13.822 1.184 4.540 1.00 0.00 C ATOM 394 O ASP A 29 13.177 0.135 4.564 1.00 0.00 O ATOM 395 CB ASP A 29 13.883 2.594 6.606 1.00 0.00 C ATOM 396 CG ASP A 29 15.282 3.176 6.579 1.00 0.00 C ATOM 397 OD1 ASP A 29 15.409 4.413 6.460 1.00 0.00 O ATOM 398 OD2 ASP A 29 16.251 2.395 6.679 1.00 0.00 O ATOM 0 H ASP A 29 11.453 1.785 5.983 1.00 0.00 H new ATOM 0 HA ASP A 29 13.577 3.307 4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.238 3.234 7.208 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.908 1.619 7.092 1.00 0.00 H new ATOM 403 N SER A 30 15.005 1.291 3.945 1.00 0.00 N ATOM 404 CA SER A 30 15.627 0.159 3.269 1.00 0.00 C ATOM 405 C SER A 30 15.625 -1.076 4.163 1.00 0.00 C ATOM 406 O SER A 30 15.242 -2.165 3.737 1.00 0.00 O ATOM 407 CB SER A 30 17.061 0.506 2.861 1.00 0.00 C ATOM 408 OG SER A 30 17.077 1.376 1.743 1.00 0.00 O ATOM 0 H SER A 30 15.553 2.151 3.917 1.00 0.00 H new ATOM 0 HA SER A 30 15.046 -0.062 2.374 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.577 0.976 3.698 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.606 -0.408 2.623 1.00 0.00 H new ATOM 0 HG SER A 30 18.004 1.584 1.503 1.00 0.00 H new ATOM 414 N GLY A 31 16.056 -0.899 5.408 1.00 0.00 N ATOM 415 CA GLY A 31 16.097 -2.007 6.345 1.00 0.00 C ATOM 416 C GLY A 31 17.303 -2.901 6.134 1.00 0.00 C ATOM 417 O GLY A 31 17.944 -3.325 7.094 1.00 0.00 O ATOM 0 H GLY A 31 16.378 -0.007 5.785 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.111 -1.618 7.363 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.188 -2.599 6.243 1.00 0.00 H new ATOM 421 N ASN A 32 17.611 -3.188 4.873 1.00 0.00 N ATOM 422 CA ASN A 32 18.747 -4.040 4.539 1.00 0.00 C ATOM 423 C ASN A 32 19.981 -3.201 4.222 1.00 0.00 C ATOM 424 O ASN A 32 19.879 -2.002 3.960 1.00 0.00 O ATOM 425 CB ASN A 32 18.406 -4.936 3.347 1.00 0.00 C ATOM 426 CG ASN A 32 17.459 -6.060 3.721 1.00 0.00 C ATOM 427 OD1 ASN A 32 17.890 -7.144 4.116 1.00 0.00 O ATOM 428 ND2 ASN A 32 16.162 -5.807 3.598 1.00 0.00 N ATOM 0 H ASN A 32 17.090 -2.843 4.066 1.00 0.00 H new ATOM 0 HA ASN A 32 18.967 -4.666 5.404 1.00 0.00 H new ATOM 0 HB2 ASN A 32 17.956 -4.332 2.559 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.324 -5.359 2.939 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.478 -6.525 3.835 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.850 -4.894 3.267 1.00 0.00 H new ATOM 475 N VAL A 36 19.497 -4.001 -2.628 1.00 0.00 N ATOM 476 CA VAL A 36 18.327 -4.745 -3.078 1.00 0.00 C ATOM 477 C VAL A 36 17.937 -4.349 -4.498 1.00 0.00 C ATOM 478 O VAL A 36 18.256 -3.252 -4.959 1.00 0.00 O ATOM 479 CB VAL A 36 17.123 -4.517 -2.144 1.00 0.00 C ATOM 480 CG1 VAL A 36 15.975 -5.441 -2.518 1.00 0.00 C ATOM 481 CG2 VAL A 36 17.530 -4.719 -0.693 1.00 0.00 C ATOM 0 HA VAL A 36 18.597 -5.801 -3.059 1.00 0.00 H new ATOM 0 HB VAL A 36 16.783 -3.488 -2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 36 15.134 -5.266 -1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.668 -5.243 -3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.299 -6.478 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.668 -4.554 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.897 -5.736 -0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.318 -4.012 -0.434 1.00 0.00 H new ATOM 491 N THR A 37 17.243 -5.249 -5.188 1.00 0.00 N ATOM 492 CA THR A 37 16.809 -4.995 -6.556 1.00 0.00 C ATOM 493 C THR A 37 15.573 -4.103 -6.584 1.00 0.00 C ATOM 494 O THR A 37 15.548 -3.083 -7.274 1.00 0.00 O ATOM 495 CB THR A 37 16.498 -6.307 -7.300 1.00 0.00 C ATOM 496 OG1 THR A 37 17.651 -7.156 -7.300 1.00 0.00 O ATOM 497 CG2 THR A 37 16.066 -6.029 -8.731 1.00 0.00 C ATOM 0 H THR A 37 16.969 -6.161 -4.821 1.00 0.00 H new ATOM 0 HA THR A 37 17.632 -4.487 -7.059 1.00 0.00 H new ATOM 0 HB THR A 37 15.680 -6.807 -6.782 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.444 -7.989 -7.774 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.852 -6.971 -9.236 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.170 -5.408 -8.727 1.00 0.00 H new ATOM 0 HG23 THR A 37 16.866 -5.509 -9.258 1.00 0.00 H new ATOM 505 N TYR A 38 14.551 -4.492 -5.831 1.00 0.00 N ATOM 506 CA TYR A 38 13.311 -3.728 -5.771 1.00 0.00 C ATOM 507 C TYR A 38 12.447 -4.182 -4.598 1.00 0.00 C ATOM 508 O TYR A 38 12.684 -5.238 -4.010 1.00 0.00 O ATOM 509 CB TYR A 38 12.533 -3.875 -7.079 1.00 0.00 C ATOM 510 CG TYR A 38 11.753 -5.166 -7.178 1.00 0.00 C ATOM 511 CD1 TYR A 38 12.339 -6.318 -7.689 1.00 0.00 C ATOM 512 CD2 TYR A 38 10.430 -5.235 -6.758 1.00 0.00 C ATOM 513 CE1 TYR A 38 11.629 -7.500 -7.782 1.00 0.00 C ATOM 514 CE2 TYR A 38 9.713 -6.413 -6.846 1.00 0.00 C ATOM 515 CZ TYR A 38 10.317 -7.542 -7.359 1.00 0.00 C ATOM 516 OH TYR A 38 9.608 -8.718 -7.448 1.00 0.00 O ATOM 0 H TYR A 38 14.557 -5.333 -5.253 1.00 0.00 H new ATOM 0 HA TYR A 38 13.568 -2.679 -5.625 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.845 -3.036 -7.179 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.230 -3.816 -7.915 1.00 0.00 H new ATOM 0 HD1 TYR A 38 13.367 -6.289 -8.019 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.954 -4.353 -6.356 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.099 -8.386 -8.184 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.686 -6.449 -6.515 1.00 0.00 H new ATOM 0 HH TYR A 38 8.700 -8.579 -7.108 1.00 0.00 H new ATOM 526 N TYR A 39 11.444 -3.378 -4.265 1.00 0.00 N ATOM 527 CA TYR A 39 10.544 -3.695 -3.162 1.00 0.00 C ATOM 528 C TYR A 39 9.101 -3.789 -3.646 1.00 0.00 C ATOM 529 O TYR A 39 8.557 -2.836 -4.203 1.00 0.00 O ATOM 530 CB TYR A 39 10.658 -2.637 -2.063 1.00 0.00 C ATOM 531 CG TYR A 39 11.988 -2.652 -1.344 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.147 -2.223 -1.978 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.085 -3.095 -0.031 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.365 -2.235 -1.325 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.298 -3.109 0.631 1.00 0.00 C ATOM 536 CZ TYR A 39 14.435 -2.678 -0.021 1.00 0.00 C ATOM 537 OH TYR A 39 15.645 -2.692 0.634 1.00 0.00 O ATOM 0 H TYR A 39 11.233 -2.502 -4.743 1.00 0.00 H new ATOM 0 HA TYR A 39 10.835 -4.664 -2.756 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.503 -1.651 -2.502 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.860 -2.792 -1.337 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.095 -1.874 -2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.197 -3.434 0.481 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.257 -1.899 -1.833 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.356 -3.455 1.652 1.00 0.00 H new ATOM 0 HH TYR A 39 15.504 -2.509 1.586 1.00 0.00 H new ATOM 547 N GLY A 40 8.484 -4.947 -3.428 1.00 0.00 N ATOM 548 CA GLY A 40 7.109 -5.145 -3.847 1.00 0.00 C ATOM 549 C GLY A 40 6.112 -4.609 -2.839 1.00 0.00 C ATOM 550 O GLY A 40 6.457 -4.374 -1.680 1.00 0.00 O ATOM 0 H GLY A 40 8.912 -5.751 -2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.951 -4.653 -4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.929 -6.209 -4.001 1.00 0.00 H new ATOM 554 N ILE A 41 4.874 -4.413 -3.279 1.00 0.00 N ATOM 555 CA ILE A 41 3.825 -3.900 -2.407 1.00 0.00 C ATOM 556 C ILE A 41 2.542 -4.710 -2.556 1.00 0.00 C ATOM 557 O ILE A 41 2.042 -4.899 -3.664 1.00 0.00 O ATOM 558 CB ILE A 41 3.522 -2.419 -2.701 1.00 0.00 C ATOM 559 CG1 ILE A 41 4.786 -1.574 -2.531 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.414 -1.914 -1.788 1.00 0.00 C ATOM 561 CD1 ILE A 41 4.598 -0.122 -2.914 1.00 0.00 C ATOM 0 H ILE A 41 4.573 -4.602 -4.235 1.00 0.00 H new ATOM 0 HA ILE A 41 4.192 -3.990 -1.385 1.00 0.00 H new ATOM 0 HB ILE A 41 3.184 -2.330 -3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.113 -1.628 -1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.584 -2.001 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.211 -0.866 -2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.511 -2.501 -1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.726 -2.013 -0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.534 0.417 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.301 -0.057 -3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.823 0.322 -2.289 1.00 0.00 H new ATOM 573 N GLN A 42 2.013 -5.183 -1.432 1.00 0.00 N ATOM 574 CA GLN A 42 0.787 -5.972 -1.438 1.00 0.00 C ATOM 575 C GLN A 42 -0.315 -5.270 -0.651 1.00 0.00 C ATOM 576 O GLN A 42 -0.086 -4.779 0.455 1.00 0.00 O ATOM 577 CB GLN A 42 1.045 -7.360 -0.850 1.00 0.00 C ATOM 578 CG GLN A 42 1.772 -8.297 -1.800 1.00 0.00 C ATOM 579 CD GLN A 42 1.886 -9.708 -1.256 1.00 0.00 C ATOM 580 OE1 GLN A 42 1.119 -10.111 -0.381 1.00 0.00 O ATOM 581 NE2 GLN A 42 2.846 -10.466 -1.771 1.00 0.00 N ATOM 0 H GLN A 42 2.414 -5.034 -0.506 1.00 0.00 H new ATOM 0 HA GLN A 42 0.459 -6.079 -2.472 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.631 -7.255 0.063 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.093 -7.809 -0.568 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.245 -8.321 -2.754 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.770 -7.906 -1.997 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.459 -10.091 -2.495 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.971 -11.424 -1.443 1.00 0.00 H new ATOM 590 N TYR A 43 -1.511 -5.226 -1.227 1.00 0.00 N ATOM 591 CA TYR A 43 -2.648 -4.582 -0.581 1.00 0.00 C ATOM 592 C TYR A 43 -3.961 -5.214 -1.032 1.00 0.00 C ATOM 593 O TYR A 43 -4.121 -5.577 -2.197 1.00 0.00 O ATOM 594 CB TYR A 43 -2.657 -3.084 -0.892 1.00 0.00 C ATOM 595 CG TYR A 43 -2.776 -2.773 -2.367 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.660 -2.806 -3.195 1.00 0.00 C ATOM 597 CD2 TYR A 43 -4.002 -2.445 -2.932 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.763 -2.522 -4.543 1.00 0.00 C ATOM 599 CE2 TYR A 43 -4.114 -2.161 -4.279 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.992 -2.200 -5.081 1.00 0.00 C ATOM 601 OH TYR A 43 -3.100 -1.917 -6.423 1.00 0.00 O ATOM 0 H TYR A 43 -1.718 -5.629 -2.141 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.549 -4.723 0.495 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.487 -2.616 -0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.741 -2.636 -0.507 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.696 -3.058 -2.778 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.882 -2.412 -2.307 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.886 -2.552 -5.173 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.075 -1.910 -4.702 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.184 -2.753 -6.928 1.00 0.00 H new ATOM 611 N ARG A 44 -4.899 -5.343 -0.099 1.00 0.00 N ATOM 612 CA ARG A 44 -6.199 -5.932 -0.398 1.00 0.00 C ATOM 613 C ARG A 44 -7.274 -5.377 0.531 1.00 0.00 C ATOM 614 O ARG A 44 -7.037 -5.178 1.722 1.00 0.00 O ATOM 615 CB ARG A 44 -6.134 -7.455 -0.268 1.00 0.00 C ATOM 616 CG ARG A 44 -7.497 -8.128 -0.312 1.00 0.00 C ATOM 617 CD ARG A 44 -8.055 -8.163 -1.726 1.00 0.00 C ATOM 618 NE ARG A 44 -9.507 -8.328 -1.737 1.00 0.00 N ATOM 619 CZ ARG A 44 -10.253 -8.194 -2.827 1.00 0.00 C ATOM 620 NH1 ARG A 44 -9.688 -7.896 -3.989 1.00 0.00 N ATOM 621 NH2 ARG A 44 -11.568 -8.359 -2.757 1.00 0.00 N ATOM 0 H ARG A 44 -4.783 -5.048 0.870 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.461 -5.672 -1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.515 -7.854 -1.072 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.642 -7.711 0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.415 -9.144 0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.189 -7.595 0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.791 -7.240 -2.243 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.593 -8.981 -2.278 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.973 -8.559 -0.859 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.678 -7.769 -4.047 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.264 -7.794 -4.825 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.006 -8.589 -1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.140 -8.256 -3.595 1.00 0.00 H new ATOM 635 N ALA A 45 -8.457 -5.129 -0.023 1.00 0.00 N ATOM 636 CA ALA A 45 -9.569 -4.598 0.755 1.00 0.00 C ATOM 637 C ALA A 45 -9.610 -5.219 2.147 1.00 0.00 C ATOM 638 O ALA A 45 -9.623 -6.441 2.292 1.00 0.00 O ATOM 639 CB ALA A 45 -10.884 -4.838 0.029 1.00 0.00 C ATOM 0 H ALA A 45 -8.669 -5.288 -1.008 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.421 -3.524 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.706 -4.436 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.860 -4.342 -0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.030 -5.909 -0.115 1.00 0.00 H new ATOM 732 N GLN A 53 -3.216 -8.003 -4.063 1.00 0.00 N ATOM 733 CA GLN A 53 -2.519 -7.417 -5.202 1.00 0.00 C ATOM 734 C GLN A 53 -1.011 -7.418 -4.978 1.00 0.00 C ATOM 735 O GLN A 53 -0.543 -7.476 -3.841 1.00 0.00 O ATOM 736 CB GLN A 53 -3.009 -5.988 -5.445 1.00 0.00 C ATOM 737 CG GLN A 53 -4.475 -5.906 -5.838 1.00 0.00 C ATOM 738 CD GLN A 53 -4.859 -4.543 -6.381 1.00 0.00 C ATOM 739 OE1 GLN A 53 -4.309 -4.084 -7.382 1.00 0.00 O ATOM 740 NE2 GLN A 53 -5.807 -3.889 -5.721 1.00 0.00 N ATOM 0 HA GLN A 53 -2.737 -8.024 -6.081 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.850 -5.400 -4.541 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.405 -5.534 -6.231 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.689 -6.666 -6.590 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.093 -6.134 -4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.236 -4.308 -4.896 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.107 -2.967 -6.039 1.00 0.00 H new ATOM 749 N GLU A 54 -0.255 -7.356 -6.070 1.00 0.00 N ATOM 750 CA GLU A 54 1.201 -7.352 -5.991 1.00 0.00 C ATOM 751 C GLU A 54 1.798 -6.388 -7.013 1.00 0.00 C ATOM 752 O GLU A 54 1.533 -6.492 -8.210 1.00 0.00 O ATOM 753 CB GLU A 54 1.750 -8.761 -6.221 1.00 0.00 C ATOM 754 CG GLU A 54 3.105 -8.999 -5.576 1.00 0.00 C ATOM 755 CD GLU A 54 3.796 -10.239 -6.110 1.00 0.00 C ATOM 756 OE1 GLU A 54 3.147 -11.305 -6.160 1.00 0.00 O ATOM 757 OE2 GLU A 54 4.986 -10.143 -6.477 1.00 0.00 O ATOM 0 H GLU A 54 -0.626 -7.308 -7.019 1.00 0.00 H new ATOM 0 HA GLU A 54 1.485 -7.018 -4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.038 -9.488 -5.830 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.831 -8.940 -7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.742 -8.131 -5.747 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.978 -9.094 -4.498 1.00 0.00 H new ATOM 764 N VAL A 55 2.606 -5.449 -6.530 1.00 0.00 N ATOM 765 CA VAL A 55 3.242 -4.467 -7.400 1.00 0.00 C ATOM 766 C VAL A 55 4.756 -4.643 -7.413 1.00 0.00 C ATOM 767 O VAL A 55 5.402 -4.632 -6.364 1.00 0.00 O ATOM 768 CB VAL A 55 2.907 -3.029 -6.961 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.658 -2.021 -7.818 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.407 -2.787 -7.031 1.00 0.00 C ATOM 0 H VAL A 55 2.835 -5.348 -5.541 1.00 0.00 H new ATOM 0 HA VAL A 55 2.852 -4.633 -8.404 1.00 0.00 H new ATOM 0 HB VAL A 55 3.225 -2.900 -5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.409 -1.011 -7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.731 -2.182 -7.713 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.373 -2.147 -8.862 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.188 -1.766 -6.717 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.062 -2.934 -8.054 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.894 -3.487 -6.371 1.00 0.00 H new ATOM 780 N ASP A 56 5.318 -4.804 -8.606 1.00 0.00 N ATOM 781 CA ASP A 56 6.757 -4.981 -8.756 1.00 0.00 C ATOM 782 C ASP A 56 7.354 -3.870 -9.615 1.00 0.00 C ATOM 783 O ASP A 56 6.748 -3.434 -10.592 1.00 0.00 O ATOM 784 CB ASP A 56 7.063 -6.344 -9.378 1.00 0.00 C ATOM 785 CG ASP A 56 6.559 -6.456 -10.804 1.00 0.00 C ATOM 786 OD1 ASP A 56 5.329 -6.561 -10.992 1.00 0.00 O ATOM 787 OD2 ASP A 56 7.395 -6.438 -11.731 1.00 0.00 O ATOM 0 H ASP A 56 4.798 -4.816 -9.484 1.00 0.00 H new ATOM 0 HA ASP A 56 7.209 -4.933 -7.765 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.140 -6.514 -9.362 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.607 -7.127 -8.772 1.00 0.00 H new ATOM 792 N GLY A 57 8.547 -3.417 -9.242 1.00 0.00 N ATOM 793 CA GLY A 57 9.206 -2.360 -9.988 1.00 0.00 C ATOM 794 C GLY A 57 9.342 -1.082 -9.184 1.00 0.00 C ATOM 795 O GLY A 57 9.169 0.015 -9.715 1.00 0.00 O ATOM 0 H GLY A 57 9.069 -3.763 -8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.195 -2.699 -10.296 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.642 -2.155 -10.898 1.00 0.00 H new ATOM 799 N VAL A 58 9.653 -1.222 -7.899 1.00 0.00 N ATOM 800 CA VAL A 58 9.812 -0.070 -7.021 1.00 0.00 C ATOM 801 C VAL A 58 11.246 0.043 -6.516 1.00 0.00 C ATOM 802 O VAL A 58 11.626 -0.609 -5.544 1.00 0.00 O ATOM 803 CB VAL A 58 8.859 -0.149 -5.813 1.00 0.00 C ATOM 804 CG1 VAL A 58 8.913 1.139 -5.006 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.439 -0.440 -6.274 1.00 0.00 C ATOM 0 H VAL A 58 9.800 -2.123 -7.443 1.00 0.00 H new ATOM 0 HA VAL A 58 9.567 0.813 -7.611 1.00 0.00 H new ATOM 0 HB VAL A 58 9.182 -0.967 -5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.234 1.065 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.929 1.300 -4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.615 1.976 -5.637 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.779 -0.493 -5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.102 0.355 -6.939 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.417 -1.391 -6.805 1.00 0.00 H new ATOM 815 N ALA A 59 12.039 0.875 -7.184 1.00 0.00 N ATOM 816 CA ALA A 59 13.431 1.075 -6.802 1.00 0.00 C ATOM 817 C ALA A 59 13.580 2.286 -5.887 1.00 0.00 C ATOM 818 O ALA A 59 14.586 2.995 -5.936 1.00 0.00 O ATOM 819 CB ALA A 59 14.300 1.237 -8.040 1.00 0.00 C ATOM 0 H ALA A 59 11.741 1.421 -7.992 1.00 0.00 H new ATOM 0 HA ALA A 59 13.762 0.194 -6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.337 1.386 -7.740 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.226 0.341 -8.657 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.961 2.100 -8.612 1.00 0.00 H new ATOM 825 N THR A 60 12.572 2.520 -5.053 1.00 0.00 N ATOM 826 CA THR A 60 12.590 3.646 -4.128 1.00 0.00 C ATOM 827 C THR A 60 12.030 3.249 -2.767 1.00 0.00 C ATOM 828 O THR A 60 11.400 2.201 -2.624 1.00 0.00 O ATOM 829 CB THR A 60 11.780 4.837 -4.676 1.00 0.00 C ATOM 830 OG1 THR A 60 10.547 4.373 -5.237 1.00 0.00 O ATOM 831 CG2 THR A 60 12.573 5.588 -5.735 1.00 0.00 C ATOM 0 H THR A 60 11.732 1.944 -4.999 1.00 0.00 H new ATOM 0 HA THR A 60 13.632 3.946 -4.016 1.00 0.00 H new ATOM 0 HB THR A 60 11.571 5.517 -3.850 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.798 4.698 -4.695 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.982 6.424 -6.107 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.498 5.964 -5.298 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.808 4.915 -6.559 1.00 0.00 H new ATOM 839 N THR A 61 12.263 4.094 -1.767 1.00 0.00 N ATOM 840 CA THR A 61 11.782 3.831 -0.417 1.00 0.00 C ATOM 841 C THR A 61 10.350 4.323 -0.238 1.00 0.00 C ATOM 842 O THR A 61 9.651 3.905 0.686 1.00 0.00 O ATOM 843 CB THR A 61 12.679 4.504 0.640 1.00 0.00 C ATOM 844 OG1 THR A 61 12.917 5.870 0.283 1.00 0.00 O ATOM 845 CG2 THR A 61 14.005 3.769 0.770 1.00 0.00 C ATOM 0 H THR A 61 12.782 4.966 -1.867 1.00 0.00 H new ATOM 0 HA THR A 61 11.813 2.751 -0.275 1.00 0.00 H new ATOM 0 HB THR A 61 12.164 4.465 1.600 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.486 6.291 0.961 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.622 4.262 1.522 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.821 2.738 1.071 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.523 3.781 -0.189 1.00 0.00 H new ATOM 853 N ARG A 62 9.918 5.210 -1.128 1.00 0.00 N ATOM 854 CA ARG A 62 8.568 5.758 -1.067 1.00 0.00 C ATOM 855 C ARG A 62 7.768 5.372 -2.307 1.00 0.00 C ATOM 856 O ARG A 62 8.234 5.536 -3.435 1.00 0.00 O ATOM 857 CB ARG A 62 8.619 7.282 -0.934 1.00 0.00 C ATOM 858 CG ARG A 62 7.268 7.954 -1.117 1.00 0.00 C ATOM 859 CD ARG A 62 7.329 9.431 -0.760 1.00 0.00 C ATOM 860 NE ARG A 62 8.340 10.142 -1.538 1.00 0.00 N ATOM 861 CZ ARG A 62 8.529 11.455 -1.473 1.00 0.00 C ATOM 862 NH1 ARG A 62 7.780 12.197 -0.669 1.00 0.00 N ATOM 863 NH2 ARG A 62 9.469 12.029 -2.213 1.00 0.00 N ATOM 0 H ARG A 62 10.483 5.565 -1.900 1.00 0.00 H new ATOM 0 HA ARG A 62 8.072 5.340 -0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.013 7.540 0.049 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.316 7.680 -1.671 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.941 7.841 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.526 7.458 -0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.353 9.886 -0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.548 9.538 0.302 1.00 0.00 H new ATOM 0 HE ARG A 62 8.934 9.600 -2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.056 11.760 -0.098 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.927 13.205 -0.621 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.047 11.462 -2.833 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.613 13.037 -2.162 1.00 0.00 H new ATOM 877 N TYR A 63 6.563 4.858 -2.091 1.00 0.00 N ATOM 878 CA TYR A 63 5.699 4.445 -3.191 1.00 0.00 C ATOM 879 C TYR A 63 4.238 4.758 -2.883 1.00 0.00 C ATOM 880 O TYR A 63 3.845 4.862 -1.721 1.00 0.00 O ATOM 881 CB TYR A 63 5.866 2.949 -3.464 1.00 0.00 C ATOM 882 CG TYR A 63 5.023 2.446 -4.614 1.00 0.00 C ATOM 883 CD1 TYR A 63 3.718 2.016 -4.410 1.00 0.00 C ATOM 884 CD2 TYR A 63 5.533 2.402 -5.907 1.00 0.00 C ATOM 885 CE1 TYR A 63 2.945 1.555 -5.458 1.00 0.00 C ATOM 886 CE2 TYR A 63 4.766 1.944 -6.961 1.00 0.00 C ATOM 887 CZ TYR A 63 3.474 1.521 -6.732 1.00 0.00 C ATOM 888 OH TYR A 63 2.707 1.064 -7.779 1.00 0.00 O ATOM 0 H TYR A 63 6.162 4.717 -1.164 1.00 0.00 H new ATOM 0 HA TYR A 63 5.992 5.004 -4.080 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.915 2.742 -3.675 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.606 2.393 -2.563 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.300 2.043 -3.414 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.545 2.731 -6.090 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.933 1.223 -5.281 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.177 1.917 -7.960 1.00 0.00 H new ATOM 0 HH TYR A 63 3.227 1.106 -8.608 1.00 0.00 H new ATOM 898 N SER A 64 3.438 4.906 -3.934 1.00 0.00 N ATOM 899 CA SER A 64 2.020 5.210 -3.778 1.00 0.00 C ATOM 900 C SER A 64 1.160 4.184 -4.510 1.00 0.00 C ATOM 901 O SER A 64 1.533 3.695 -5.577 1.00 0.00 O ATOM 902 CB SER A 64 1.717 6.614 -4.304 1.00 0.00 C ATOM 903 OG SER A 64 0.326 6.793 -4.509 1.00 0.00 O ATOM 0 H SER A 64 3.747 4.820 -4.902 1.00 0.00 H new ATOM 0 HA SER A 64 1.780 5.168 -2.716 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.082 7.358 -3.596 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.250 6.778 -5.241 1.00 0.00 H new ATOM 0 HG SER A 64 -0.136 6.786 -3.645 1.00 0.00 H new ATOM 909 N ILE A 65 0.010 3.862 -3.928 1.00 0.00 N ATOM 910 CA ILE A 65 -0.903 2.896 -4.525 1.00 0.00 C ATOM 911 C ILE A 65 -2.125 3.588 -5.121 1.00 0.00 C ATOM 912 O ILE A 65 -2.628 4.565 -4.568 1.00 0.00 O ATOM 913 CB ILE A 65 -1.371 1.852 -3.494 1.00 0.00 C ATOM 914 CG1 ILE A 65 -0.165 1.180 -2.833 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.264 0.815 -4.157 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.335 1.909 -1.605 1.00 0.00 C ATOM 0 H ILE A 65 -0.311 4.256 -3.044 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.352 2.391 -5.318 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.949 2.360 -2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.434 0.161 -2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.645 1.110 -3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.586 0.084 -3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.137 1.307 -4.585 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.709 0.309 -4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.190 1.377 -1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.635 2.920 -1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.460 1.956 -0.861 1.00 0.00 H new ATOM 928 N GLY A 66 -2.598 3.072 -6.251 1.00 0.00 N ATOM 929 CA GLY A 66 -3.758 3.652 -6.902 1.00 0.00 C ATOM 930 C GLY A 66 -4.766 2.605 -7.331 1.00 0.00 C ATOM 931 O GLY A 66 -4.465 1.412 -7.346 1.00 0.00 O ATOM 0 H GLY A 66 -2.199 2.263 -6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.238 4.357 -6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.435 4.220 -7.774 1.00 0.00 H new ATOM 935 N GLY A 67 -5.969 3.051 -7.681 1.00 0.00 N ATOM 936 CA GLY A 67 -7.007 2.130 -8.106 1.00 0.00 C ATOM 937 C GLY A 67 -7.837 1.617 -6.946 1.00 0.00 C ATOM 938 O GLY A 67 -8.359 0.502 -6.991 1.00 0.00 O ATOM 0 H GLY A 67 -6.243 4.034 -7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.659 2.628 -8.823 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.550 1.286 -8.623 1.00 0.00 H new ATOM 942 N LEU A 68 -7.959 2.430 -5.903 1.00 0.00 N ATOM 943 CA LEU A 68 -8.731 2.052 -4.724 1.00 0.00 C ATOM 944 C LEU A 68 -10.050 2.816 -4.668 1.00 0.00 C ATOM 945 O LEU A 68 -10.309 3.688 -5.497 1.00 0.00 O ATOM 946 CB LEU A 68 -7.921 2.316 -3.453 1.00 0.00 C ATOM 947 CG LEU A 68 -6.496 1.763 -3.439 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.742 2.260 -2.215 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.514 0.241 -3.475 1.00 0.00 C ATOM 0 H LEU A 68 -7.533 3.355 -5.849 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.952 0.987 -4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.873 3.393 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.462 1.893 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.979 2.122 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.730 1.856 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.698 3.349 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.257 1.932 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.491 -0.135 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.049 -0.137 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.015 -0.096 -4.383 1.00 0.00 H new ATOM 961 N SER A 69 -10.879 2.484 -3.683 1.00 0.00 N ATOM 962 CA SER A 69 -12.172 3.138 -3.519 1.00 0.00 C ATOM 963 C SER A 69 -12.115 4.183 -2.409 1.00 0.00 C ATOM 964 O SER A 69 -11.405 4.033 -1.415 1.00 0.00 O ATOM 965 CB SER A 69 -13.254 2.103 -3.206 1.00 0.00 C ATOM 966 OG SER A 69 -14.430 2.726 -2.719 1.00 0.00 O ATOM 0 H SER A 69 -10.678 1.766 -2.987 1.00 0.00 H new ATOM 0 HA SER A 69 -12.419 3.640 -4.454 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.487 1.532 -4.105 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.881 1.395 -2.466 1.00 0.00 H new ATOM 0 HG SER A 69 -15.107 2.043 -2.528 1.00 0.00 H new ATOM 972 N PRO A 70 -12.883 5.270 -2.582 1.00 0.00 N ATOM 973 CA PRO A 70 -12.939 6.362 -1.606 1.00 0.00 C ATOM 974 C PRO A 70 -13.640 5.951 -0.315 1.00 0.00 C ATOM 975 O PRO A 70 -14.717 5.355 -0.345 1.00 0.00 O ATOM 976 CB PRO A 70 -13.744 7.444 -2.330 1.00 0.00 C ATOM 977 CG PRO A 70 -14.577 6.700 -3.316 1.00 0.00 C ATOM 978 CD PRO A 70 -13.755 5.515 -3.742 1.00 0.00 C ATOM 0 HA PRO A 70 -11.944 6.685 -1.299 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.364 8.009 -1.634 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.089 8.160 -2.826 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.519 6.381 -2.869 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.826 7.330 -4.170 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.381 4.651 -3.964 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.177 5.729 -4.641 1.00 0.00 H new ATOM 986 N PHE A 71 -13.023 6.273 0.817 1.00 0.00 N ATOM 987 CA PHE A 71 -13.588 5.937 2.118 1.00 0.00 C ATOM 988 C PHE A 71 -13.522 4.433 2.367 1.00 0.00 C ATOM 989 O PHE A 71 -14.495 3.822 2.809 1.00 0.00 O ATOM 990 CB PHE A 71 -15.038 6.417 2.208 1.00 0.00 C ATOM 991 CG PHE A 71 -15.495 6.684 3.613 1.00 0.00 C ATOM 992 CD1 PHE A 71 -14.782 7.541 4.436 1.00 0.00 C ATOM 993 CD2 PHE A 71 -16.639 6.081 4.111 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.200 7.788 5.730 1.00 0.00 C ATOM 995 CE2 PHE A 71 -17.062 6.325 5.404 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.342 7.180 6.214 1.00 0.00 C ATOM 0 H PHE A 71 -12.131 6.766 0.859 1.00 0.00 H new ATOM 0 HA PHE A 71 -12.998 6.441 2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.148 7.328 1.619 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -15.689 5.667 1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -13.890 8.021 4.062 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.207 5.412 3.481 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -14.634 8.456 6.362 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -17.955 5.847 5.780 1.00 0.00 H new ATOM 0 HZ PHE A 71 -16.671 7.373 7.224 1.00 0.00 H new ATOM 1006 N SER A 72 -12.366 3.842 2.081 1.00 0.00 N ATOM 1007 CA SER A 72 -12.173 2.409 2.269 1.00 0.00 C ATOM 1008 C SER A 72 -10.881 2.131 3.031 1.00 0.00 C ATOM 1009 O SER A 72 -9.977 2.965 3.067 1.00 0.00 O ATOM 1010 CB SER A 72 -12.145 1.694 0.917 1.00 0.00 C ATOM 1011 OG SER A 72 -11.026 2.102 0.148 1.00 0.00 O ATOM 0 H SER A 72 -11.549 4.334 1.718 1.00 0.00 H new ATOM 0 HA SER A 72 -13.010 2.029 2.855 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.110 0.616 1.073 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.063 1.907 0.370 1.00 0.00 H new ATOM 0 HG SER A 72 -11.331 2.628 -0.621 1.00 0.00 H new ATOM 1017 N GLU A 73 -10.803 0.951 3.640 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.622 0.563 4.403 1.00 0.00 C ATOM 1019 C GLU A 73 -8.865 -0.560 3.699 1.00 0.00 C ATOM 1020 O GLU A 73 -9.465 -1.517 3.210 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.021 0.119 5.812 1.00 0.00 C ATOM 1022 CG GLU A 73 -8.941 0.358 6.854 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.453 0.194 8.272 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -10.668 0.382 8.489 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -8.638 -0.122 9.164 1.00 0.00 O ATOM 0 H GLU A 73 -11.542 0.249 3.620 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.966 1.431 4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.925 0.651 6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.267 -0.943 5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.119 -0.337 6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.538 1.363 6.731 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.543 -0.434 3.652 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.703 -1.436 3.005 1.00 0.00 C ATOM 1034 C TYR A 74 -5.417 -1.660 3.795 1.00 0.00 C ATOM 1035 O TYR A 74 -4.931 -0.760 4.479 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.369 -1.006 1.576 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.484 -1.267 0.589 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.599 -0.440 0.537 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.422 -2.340 -0.291 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.621 -0.674 -0.363 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -8.438 -2.581 -1.196 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.536 -1.746 -1.228 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.550 -1.984 -2.126 1.00 0.00 O ATOM 0 H TYR A 74 -7.030 0.351 4.054 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.257 -2.374 2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.133 0.058 1.572 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.473 -1.533 1.247 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.668 0.400 1.212 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.565 -2.997 -0.267 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.481 -0.022 -0.389 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.373 -3.419 -1.875 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.334 -2.776 -2.661 1.00 0.00 H new ATOM 1053 N ALA A 75 -4.872 -2.868 3.695 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.642 -3.212 4.397 1.00 0.00 C ATOM 1055 C ALA A 75 -2.446 -3.189 3.451 1.00 0.00 C ATOM 1056 O ALA A 75 -2.321 -4.042 2.571 1.00 0.00 O ATOM 1057 CB ALA A 75 -3.772 -4.578 5.053 1.00 0.00 C ATOM 0 H ALA A 75 -5.263 -3.625 3.134 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.474 -2.464 5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.846 -4.821 5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.596 -4.562 5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.968 -5.331 4.290 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.568 -2.208 3.637 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.383 -2.074 2.799 1.00 0.00 C ATOM 1065 C PHE A 76 0.830 -2.719 3.464 1.00 0.00 C ATOM 1066 O PHE A 76 0.981 -2.669 4.685 1.00 0.00 O ATOM 1067 CB PHE A 76 -0.098 -0.598 2.514 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.230 0.110 1.828 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -1.344 0.087 0.447 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -2.181 0.799 2.563 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -2.385 0.737 -0.188 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -3.225 1.451 1.933 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.326 1.421 0.556 1.00 0.00 C ATOM 0 H PHE A 76 -1.656 -1.495 4.361 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.575 -2.588 1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.121 -0.091 3.454 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.796 -0.522 1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.610 -0.445 -0.140 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.106 0.827 3.640 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.463 0.710 -1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.961 1.983 2.517 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.139 1.932 0.062 1.00 0.00 H new ATOM 1083 N ARG A 77 1.690 -3.324 2.652 1.00 0.00 N ATOM 1084 CA ARG A 77 2.888 -3.981 3.161 1.00 0.00 C ATOM 1085 C ARG A 77 3.974 -4.038 2.091 1.00 0.00 C ATOM 1086 O ARG A 77 3.722 -4.446 0.957 1.00 0.00 O ATOM 1087 CB ARG A 77 2.556 -5.395 3.641 1.00 0.00 C ATOM 1088 CG ARG A 77 1.853 -6.244 2.595 1.00 0.00 C ATOM 1089 CD ARG A 77 1.881 -7.719 2.963 1.00 0.00 C ATOM 1090 NE ARG A 77 0.699 -8.427 2.478 1.00 0.00 N ATOM 1091 CZ ARG A 77 -0.447 -8.486 3.147 1.00 0.00 C ATOM 1092 NH1 ARG A 77 -0.565 -7.882 4.321 1.00 0.00 N ATOM 1093 NH2 ARG A 77 -1.478 -9.150 2.641 1.00 0.00 N ATOM 0 H ARG A 77 1.580 -3.373 1.639 1.00 0.00 H new ATOM 0 HA ARG A 77 3.261 -3.397 4.002 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.478 -5.893 3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.925 -5.330 4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.820 -5.913 2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.332 -6.100 1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.776 -8.180 2.545 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.946 -7.821 4.046 1.00 0.00 H new ATOM 0 HE ARG A 77 0.757 -8.902 1.577 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.225 -7.370 4.713 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.446 -7.929 4.832 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.391 -9.616 1.738 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.358 -9.195 3.155 1.00 0.00 H new ATOM 1107 N VAL A 78 5.183 -3.624 2.458 1.00 0.00 N ATOM 1108 CA VAL A 78 6.307 -3.628 1.530 1.00 0.00 C ATOM 1109 C VAL A 78 7.279 -4.759 1.849 1.00 0.00 C ATOM 1110 O VAL A 78 7.418 -5.166 3.003 1.00 0.00 O ATOM 1111 CB VAL A 78 7.067 -2.289 1.563 1.00 0.00 C ATOM 1112 CG1 VAL A 78 8.106 -2.237 0.454 1.00 0.00 C ATOM 1113 CG2 VAL A 78 6.096 -1.123 1.450 1.00 0.00 C ATOM 0 H VAL A 78 5.409 -3.282 3.392 1.00 0.00 H new ATOM 0 HA VAL A 78 5.893 -3.778 0.533 1.00 0.00 H new ATOM 0 HB VAL A 78 7.586 -2.209 2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.633 -1.284 0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.819 -3.051 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.612 -2.339 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.650 -0.185 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.548 -1.196 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.394 -1.152 2.283 1.00 0.00 H new ATOM 1123 N LEU A 79 7.950 -5.263 0.819 1.00 0.00 N ATOM 1124 CA LEU A 79 8.911 -6.347 0.989 1.00 0.00 C ATOM 1125 C LEU A 79 10.089 -6.185 0.035 1.00 0.00 C ATOM 1126 O LEU A 79 9.914 -5.823 -1.128 1.00 0.00 O ATOM 1127 CB LEU A 79 8.232 -7.698 0.754 1.00 0.00 C ATOM 1128 CG LEU A 79 7.408 -7.821 -0.528 1.00 0.00 C ATOM 1129 CD1 LEU A 79 8.310 -8.116 -1.716 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.348 -8.903 -0.379 1.00 0.00 C ATOM 0 H LEU A 79 7.846 -4.938 -0.142 1.00 0.00 H new ATOM 0 HA LEU A 79 9.287 -6.309 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.000 -8.471 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.580 -7.907 1.602 1.00 0.00 H new ATOM 0 HG LEU A 79 6.906 -6.870 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.706 -8.200 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.031 -7.307 -1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.841 -9.053 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.771 -8.977 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.830 -9.859 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.683 -8.649 0.446 1.00 0.00 H new ATOM 1142 N ALA A 80 11.290 -6.458 0.534 1.00 0.00 N ATOM 1143 CA ALA A 80 12.497 -6.346 -0.275 1.00 0.00 C ATOM 1144 C ALA A 80 12.663 -7.559 -1.184 1.00 0.00 C ATOM 1145 O ALA A 80 12.351 -8.685 -0.797 1.00 0.00 O ATOM 1146 CB ALA A 80 13.718 -6.183 0.618 1.00 0.00 C ATOM 0 H ALA A 80 11.453 -6.758 1.495 1.00 0.00 H new ATOM 0 HA ALA A 80 12.401 -5.462 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.612 -6.101 0.000 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.610 -5.282 1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.808 -7.050 1.273 1.00 0.00 H new ATOM 1152 N VAL A 81 13.156 -7.323 -2.396 1.00 0.00 N ATOM 1153 CA VAL A 81 13.363 -8.396 -3.360 1.00 0.00 C ATOM 1154 C VAL A 81 14.665 -8.200 -4.129 1.00 0.00 C ATOM 1155 O VAL A 81 14.982 -7.093 -4.561 1.00 0.00 O ATOM 1156 CB VAL A 81 12.196 -8.484 -4.362 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.285 -9.768 -5.174 1.00 0.00 C ATOM 1158 CG2 VAL A 81 10.863 -8.395 -3.635 1.00 0.00 C ATOM 0 H VAL A 81 13.419 -6.397 -2.733 1.00 0.00 H new ATOM 0 HA VAL A 81 13.415 -9.325 -2.793 1.00 0.00 H new ATOM 0 HB VAL A 81 12.266 -7.642 -5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.453 -9.813 -5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.226 -9.786 -5.724 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.241 -10.626 -4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.049 -8.459 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.781 -9.216 -2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.802 -7.446 -3.102 1.00 0.00 H new ATOM 1168 N ASN A 82 15.415 -9.284 -4.298 1.00 0.00 N ATOM 1169 CA ASN A 82 16.684 -9.232 -5.016 1.00 0.00 C ATOM 1170 C ASN A 82 16.996 -10.576 -5.667 1.00 0.00 C ATOM 1171 O ASN A 82 16.186 -11.501 -5.624 1.00 0.00 O ATOM 1172 CB ASN A 82 17.816 -8.838 -4.065 1.00 0.00 C ATOM 1173 CG ASN A 82 18.369 -10.026 -3.301 1.00 0.00 C ATOM 1174 OD1 ASN A 82 19.267 -10.720 -3.778 1.00 0.00 O ATOM 1175 ND2 ASN A 82 17.834 -10.265 -2.110 1.00 0.00 N ATOM 0 H ASN A 82 15.166 -10.209 -3.948 1.00 0.00 H new ATOM 0 HA ASN A 82 16.599 -8.480 -5.800 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.619 -8.370 -4.634 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.450 -8.093 -3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.166 -11.051 -1.550 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.091 -9.663 -1.754 1.00 0.00 H new ATOM 1182 N SER A 83 18.177 -10.675 -6.270 1.00 0.00 N ATOM 1183 CA SER A 83 18.596 -11.904 -6.933 1.00 0.00 C ATOM 1184 C SER A 83 18.080 -13.129 -6.183 1.00 0.00 C ATOM 1185 O SER A 83 17.628 -14.098 -6.793 1.00 0.00 O ATOM 1186 CB SER A 83 20.121 -11.959 -7.035 1.00 0.00 C ATOM 1187 OG SER A 83 20.617 -10.905 -7.842 1.00 0.00 O ATOM 0 H SER A 83 18.860 -9.919 -6.313 1.00 0.00 H new ATOM 0 HA SER A 83 18.172 -11.909 -7.937 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.558 -11.894 -6.038 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.426 -12.917 -7.455 1.00 0.00 H new ATOM 0 HG SER A 83 21.594 -10.962 -7.890 1.00 0.00 H new ATOM 1193 N ILE A 84 18.151 -13.076 -4.858 1.00 0.00 N ATOM 1194 CA ILE A 84 17.691 -14.180 -4.024 1.00 0.00 C ATOM 1195 C ILE A 84 16.194 -14.411 -4.196 1.00 0.00 C ATOM 1196 O ILE A 84 15.763 -15.496 -4.586 1.00 0.00 O ATOM 1197 CB ILE A 84 17.993 -13.925 -2.536 1.00 0.00 C ATOM 1198 CG1 ILE A 84 19.471 -13.581 -2.344 1.00 0.00 C ATOM 1199 CG2 ILE A 84 17.614 -15.141 -1.703 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.389 -14.778 -2.450 1.00 0.00 C ATOM 0 H ILE A 84 18.522 -12.281 -4.338 1.00 0.00 H new ATOM 0 HA ILE A 84 18.233 -15.068 -4.348 1.00 0.00 H new ATOM 0 HB ILE A 84 17.396 -13.077 -2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 84 19.763 -12.842 -3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 84 19.604 -13.117 -1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 84 17.833 -14.946 -0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.550 -15.344 -1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.187 -16.005 -2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.421 -14.459 -2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.123 -15.509 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 84 20.285 -15.230 -3.437 1.00 0.00 H new ATOM 1212 N GLY A 85 15.404 -13.382 -3.903 1.00 0.00 N ATOM 1213 CA GLY A 85 13.963 -13.493 -4.033 1.00 0.00 C ATOM 1214 C GLY A 85 13.224 -12.491 -3.168 1.00 0.00 C ATOM 1215 O GLY A 85 13.843 -11.662 -2.500 1.00 0.00 O ATOM 0 H GLY A 85 15.736 -12.474 -3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.683 -13.344 -5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.653 -14.502 -3.760 1.00 0.00 H new ATOM 1219 N ARG A 86 11.897 -12.566 -3.180 1.00 0.00 N ATOM 1220 CA ARG A 86 11.074 -11.656 -2.392 1.00 0.00 C ATOM 1221 C ARG A 86 10.979 -12.125 -0.943 1.00 0.00 C ATOM 1222 O ARG A 86 10.421 -13.184 -0.658 1.00 0.00 O ATOM 1223 CB ARG A 86 9.673 -11.549 -2.998 1.00 0.00 C ATOM 1224 CG ARG A 86 8.879 -12.843 -2.928 1.00 0.00 C ATOM 1225 CD ARG A 86 7.820 -12.906 -4.018 1.00 0.00 C ATOM 1226 NE ARG A 86 7.145 -14.201 -4.051 1.00 0.00 N ATOM 1227 CZ ARG A 86 6.299 -14.613 -3.114 1.00 0.00 C ATOM 1228 NH1 ARG A 86 6.026 -13.835 -2.075 1.00 0.00 N ATOM 1229 NH2 ARG A 86 5.724 -15.804 -3.214 1.00 0.00 N ATOM 0 H ARG A 86 11.369 -13.247 -3.726 1.00 0.00 H new ATOM 0 HA ARG A 86 11.546 -10.673 -2.407 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.121 -10.765 -2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.760 -11.242 -4.040 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.555 -13.692 -3.027 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.403 -12.927 -1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.085 -12.118 -3.855 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.284 -12.714 -4.986 1.00 0.00 H new ATOM 0 HE ARG A 86 7.334 -14.823 -4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.466 -12.918 -1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.376 -14.153 -1.356 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.931 -16.405 -4.012 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.074 -16.119 -2.493 1.00 0.00 H new ATOM 1243 N GLY A 87 11.529 -11.329 -0.032 1.00 0.00 N ATOM 1244 CA GLY A 87 11.496 -11.680 1.376 1.00 0.00 C ATOM 1245 C GLY A 87 10.122 -11.490 1.989 1.00 0.00 C ATOM 1246 O GLY A 87 9.149 -11.184 1.301 1.00 0.00 O ATOM 0 H GLY A 87 11.997 -10.448 -0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 87 11.803 -12.719 1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.219 -11.069 1.917 1.00 0.00 H new ATOM 1250 N PRO A 88 10.030 -11.677 3.314 1.00 0.00 N ATOM 1251 CA PRO A 88 8.770 -11.531 4.049 1.00 0.00 C ATOM 1252 C PRO A 88 8.307 -10.080 4.121 1.00 0.00 C ATOM 1253 O PRO A 88 9.110 -9.147 4.153 1.00 0.00 O ATOM 1254 CB PRO A 88 9.112 -12.054 5.446 1.00 0.00 C ATOM 1255 CG PRO A 88 10.582 -11.854 5.577 1.00 0.00 C ATOM 1256 CD PRO A 88 11.150 -12.043 4.198 1.00 0.00 C ATOM 0 HA PRO A 88 7.952 -12.067 3.567 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.568 -11.508 6.217 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.845 -13.105 5.551 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.808 -10.858 5.959 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.012 -12.569 6.278 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.019 -11.406 4.031 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.472 -13.071 4.034 1.00 0.00 H new ATOM 1264 N PRO A 89 6.980 -9.882 4.150 1.00 0.00 N ATOM 1265 CA PRO A 89 6.380 -8.547 4.220 1.00 0.00 C ATOM 1266 C PRO A 89 6.607 -7.880 5.573 1.00 0.00 C ATOM 1267 O PRO A 89 6.819 -8.555 6.580 1.00 0.00 O ATOM 1268 CB PRO A 89 4.889 -8.816 4.000 1.00 0.00 C ATOM 1269 CG PRO A 89 4.688 -10.223 4.445 1.00 0.00 C ATOM 1270 CD PRO A 89 5.964 -10.948 4.115 1.00 0.00 C ATOM 0 HA PRO A 89 6.816 -7.865 3.490 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.273 -8.126 4.577 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.614 -8.689 2.953 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.479 -10.268 5.514 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.838 -10.676 3.934 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.180 -11.733 4.840 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.914 -11.424 3.136 1.00 0.00 H new ATOM 1278 N SER A 90 6.559 -6.552 5.588 1.00 0.00 N ATOM 1279 CA SER A 90 6.763 -5.794 6.817 1.00 0.00 C ATOM 1280 C SER A 90 5.453 -5.642 7.585 1.00 0.00 C ATOM 1281 O SER A 90 4.385 -5.997 7.087 1.00 0.00 O ATOM 1282 CB SER A 90 7.344 -4.415 6.500 1.00 0.00 C ATOM 1283 OG SER A 90 7.406 -3.608 7.664 1.00 0.00 O ATOM 0 H SER A 90 6.381 -5.979 4.763 1.00 0.00 H new ATOM 0 HA SER A 90 7.468 -6.343 7.441 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.342 -4.526 6.077 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.731 -3.923 5.745 1.00 0.00 H new ATOM 0 HG SER A 90 8.343 -3.439 7.895 1.00 0.00 H new ATOM 1289 N GLU A 91 5.545 -5.113 8.801 1.00 0.00 N ATOM 1290 CA GLU A 91 4.368 -4.915 9.638 1.00 0.00 C ATOM 1291 C GLU A 91 3.218 -4.324 8.829 1.00 0.00 C ATOM 1292 O GLU A 91 3.183 -3.123 8.565 1.00 0.00 O ATOM 1293 CB GLU A 91 4.702 -3.997 10.816 1.00 0.00 C ATOM 1294 CG GLU A 91 5.389 -4.710 11.968 1.00 0.00 C ATOM 1295 CD GLU A 91 5.659 -3.792 13.145 1.00 0.00 C ATOM 1296 OE1 GLU A 91 6.070 -2.636 12.912 1.00 0.00 O ATOM 1297 OE2 GLU A 91 5.460 -4.230 14.297 1.00 0.00 O ATOM 0 H GLU A 91 6.422 -4.814 9.228 1.00 0.00 H new ATOM 0 HA GLU A 91 4.058 -5.887 10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.344 -3.189 10.465 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.783 -3.538 11.180 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.768 -5.543 12.297 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.331 -5.133 11.619 1.00 0.00 H new ATOM 1304 N ALA A 92 2.278 -5.178 8.437 1.00 0.00 N ATOM 1305 CA ALA A 92 1.125 -4.742 7.659 1.00 0.00 C ATOM 1306 C ALA A 92 0.478 -3.510 8.281 1.00 0.00 C ATOM 1307 O ALA A 92 0.138 -3.505 9.465 1.00 0.00 O ATOM 1308 CB ALA A 92 0.111 -5.870 7.539 1.00 0.00 C ATOM 0 H ALA A 92 2.293 -6.176 8.646 1.00 0.00 H new ATOM 0 HA ALA A 92 1.472 -4.473 6.661 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.744 -5.530 6.956 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.573 -6.723 7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.223 -6.166 8.533 1.00 0.00 H new ATOM 1314 N VAL A 93 0.309 -2.465 7.476 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.298 -1.227 7.948 1.00 0.00 C ATOM 1316 C VAL A 93 -1.667 -1.010 7.314 1.00 0.00 C ATOM 1317 O VAL A 93 -1.879 -1.330 6.144 1.00 0.00 O ATOM 1318 CB VAL A 93 0.596 -0.010 7.642 1.00 0.00 C ATOM 1319 CG1 VAL A 93 1.899 -0.096 8.421 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.864 0.090 6.148 1.00 0.00 C ATOM 0 H VAL A 93 0.584 -2.452 6.494 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.411 -1.322 9.028 1.00 0.00 H new ATOM 0 HB VAL A 93 0.072 0.893 7.956 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.518 0.772 8.192 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.684 -0.117 9.489 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.431 -1.005 8.141 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.497 0.955 5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.368 -0.814 5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.081 0.201 5.616 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.595 -0.463 8.093 1.00 0.00 N ATOM 1331 CA ARG A 94 -3.945 -0.203 7.608 1.00 0.00 C ATOM 1332 C ARG A 94 -4.185 1.295 7.445 1.00 0.00 C ATOM 1333 O ARG A 94 -4.083 2.058 8.405 1.00 0.00 O ATOM 1334 CB ARG A 94 -4.978 -0.795 8.569 1.00 0.00 C ATOM 1335 CG ARG A 94 -5.332 -2.242 8.267 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.575 -2.681 9.025 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.281 -3.004 10.418 1.00 0.00 N ATOM 1338 CZ ARG A 94 -5.659 -4.114 10.800 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -5.267 -5.002 9.897 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -5.427 -4.337 12.087 1.00 0.00 N ATOM 0 H ARG A 94 -2.436 -0.191 9.063 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.052 -0.679 6.633 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.595 -0.729 9.587 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.885 -0.192 8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.496 -2.362 7.196 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.495 -2.886 8.535 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.322 -1.888 8.987 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.010 -3.552 8.535 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.569 -2.341 11.138 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.443 -4.834 8.906 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.790 -5.853 10.193 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.726 -3.656 12.785 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.949 -5.190 12.379 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.505 1.708 6.223 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.762 3.113 5.934 1.00 0.00 C ATOM 1356 C ALA A 95 -6.097 3.292 5.220 1.00 0.00 C ATOM 1357 O ALA A 95 -6.342 2.681 4.179 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.631 3.695 5.098 1.00 0.00 C ATOM 0 H ALA A 95 -4.592 1.089 5.417 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.813 3.650 6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.836 4.745 4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.693 3.610 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.553 3.147 4.159 1.00 0.00 H new ATOM 1364 N ARG A 96 -6.957 4.133 5.785 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.268 4.391 5.202 1.00 0.00 C ATOM 1366 C ARG A 96 -8.201 5.539 4.199 1.00 0.00 C ATOM 1367 O ARG A 96 -7.921 6.681 4.563 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.283 4.717 6.300 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.708 4.323 5.949 1.00 0.00 C ATOM 1370 CD ARG A 96 -11.652 4.545 7.120 1.00 0.00 C ATOM 1371 NE ARG A 96 -11.245 3.788 8.301 1.00 0.00 N ATOM 1372 CZ ARG A 96 -10.353 4.225 9.183 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -9.776 5.408 9.017 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -10.035 3.479 10.233 1.00 0.00 N ATOM 0 H ARG A 96 -6.769 4.647 6.646 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.588 3.491 4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -8.990 4.207 7.217 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.251 5.787 6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.047 4.905 5.092 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.734 3.274 5.653 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.685 5.607 7.363 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.662 4.253 6.832 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.669 2.874 8.457 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.017 5.984 8.211 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.091 5.741 9.696 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.476 2.568 10.364 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -9.350 3.816 10.909 1.00 0.00 H new ATOM 1388 N THR A 97 -8.461 5.227 2.933 1.00 0.00 N ATOM 1389 CA THR A 97 -8.429 6.231 1.877 1.00 0.00 C ATOM 1390 C THR A 97 -9.491 7.301 2.102 1.00 0.00 C ATOM 1391 O THR A 97 -10.478 7.072 2.800 1.00 0.00 O ATOM 1392 CB THR A 97 -8.643 5.595 0.490 1.00 0.00 C ATOM 1393 OG1 THR A 97 -9.971 5.069 0.393 1.00 0.00 O ATOM 1394 CG2 THR A 97 -7.633 4.485 0.242 1.00 0.00 C ATOM 0 H THR A 97 -8.696 4.287 2.614 1.00 0.00 H new ATOM 0 HA THR A 97 -7.441 6.691 1.909 1.00 0.00 H new ATOM 0 HB THR A 97 -8.502 6.368 -0.266 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.066 4.574 -0.448 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.804 4.051 -0.743 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.624 4.894 0.288 1.00 0.00 H new ATOM 0 HG23 THR A 97 -7.747 3.713 1.003 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.283 8.471 1.506 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.232 9.558 1.654 1.00 0.00 C ATOM 1404 C GLY A 98 -11.539 9.289 0.935 1.00 0.00 C ATOM 1405 O GLY A 98 -11.639 8.350 0.147 1.00 0.00 O ATOM 0 H GLY A 98 -8.474 8.685 0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.431 9.721 2.713 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.791 10.477 1.267 1.00 0.00 H new