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 -113:sc= 0.924 USER MOD Set 1.2: A 97 THR OG1 : rot 178:sc= 1.61 USER MOD Set 2.1: A 32 ASN : amide:sc= -3.94! C(o=-3.7!,f=-6.6!) USER MOD Set 2.2: A 39 TYR OH : rot -132:sc= 0.239 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= -0.391 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.281 USER MOD Single : A 25 THR OG1 : rot -170:sc= -0.0557 USER MOD Single : A 27 THR OG1 : rot -24:sc= 0.424 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.708 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -6.23! C(o=-6.2!,f=-17!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.2) USER MOD Single : A 60 THR OG1 : rot 119:sc= 0.144 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0375 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.917 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -2.78 K(o=-2.8,f=-12!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 97:sc= 0.879 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 16.998 -15.041 2.649 1.00 0.00 N ATOM 60 CA GLY A 7 16.858 -13.921 1.737 1.00 0.00 C ATOM 61 C GLY A 7 17.074 -12.585 2.420 1.00 0.00 C ATOM 62 O GLY A 7 17.653 -12.505 3.503 1.00 0.00 O ATOM 0 HA2 GLY A 7 17.574 -14.029 0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.863 -13.941 1.292 1.00 0.00 H new ATOM 66 N PRO A 8 16.601 -11.506 1.780 1.00 0.00 N ATOM 67 CA PRO A 8 16.735 -10.147 2.314 1.00 0.00 C ATOM 68 C PRO A 8 15.864 -9.920 3.544 1.00 0.00 C ATOM 69 O PRO A 8 15.154 -10.821 3.991 1.00 0.00 O ATOM 70 CB PRO A 8 16.266 -9.263 1.155 1.00 0.00 C ATOM 71 CG PRO A 8 15.355 -10.132 0.360 1.00 0.00 C ATOM 72 CD PRO A 8 15.900 -11.528 0.485 1.00 0.00 C ATOM 0 HA PRO A 8 17.752 -9.936 2.644 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.749 -8.375 1.519 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.108 -8.918 0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.334 -10.076 0.738 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.326 -9.816 -0.683 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.104 -12.273 0.471 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.577 -11.770 -0.334 1.00 0.00 H new ATOM 80 N LYS A 9 15.921 -8.709 4.089 1.00 0.00 N ATOM 81 CA LYS A 9 15.136 -8.361 5.267 1.00 0.00 C ATOM 82 C LYS A 9 13.986 -7.429 4.899 1.00 0.00 C ATOM 83 O LYS A 9 14.065 -6.652 3.947 1.00 0.00 O ATOM 84 CB LYS A 9 16.026 -7.698 6.321 1.00 0.00 C ATOM 85 CG LYS A 9 17.024 -8.649 6.959 1.00 0.00 C ATOM 86 CD LYS A 9 17.514 -8.126 8.299 1.00 0.00 C ATOM 87 CE LYS A 9 18.892 -8.673 8.641 1.00 0.00 C ATOM 88 NZ LYS A 9 18.809 -9.955 9.394 1.00 0.00 N ATOM 0 H LYS A 9 16.504 -7.951 3.733 1.00 0.00 H new ATOM 0 HA LYS A 9 14.718 -9.280 5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.567 -6.872 5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.395 -7.270 7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.561 -9.626 7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.873 -8.790 6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.550 -7.037 8.275 1.00 0.00 H new ATOM 0 HD3 LYS A 9 16.807 -8.405 9.080 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.460 -8.827 7.723 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.437 -7.939 9.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.768 -10.295 9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.289 -9.803 10.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.311 -10.664 8.819 1.00 0.00 H new ATOM 102 N PRO A 10 12.891 -7.506 5.670 1.00 0.00 N ATOM 103 CA PRO A 10 11.705 -6.675 5.445 1.00 0.00 C ATOM 104 C PRO A 10 11.955 -5.207 5.775 1.00 0.00 C ATOM 105 O PRO A 10 12.743 -4.869 6.659 1.00 0.00 O ATOM 106 CB PRO A 10 10.669 -7.269 6.402 1.00 0.00 C ATOM 107 CG PRO A 10 11.473 -7.908 7.482 1.00 0.00 C ATOM 108 CD PRO A 10 12.728 -8.409 6.822 1.00 0.00 C ATOM 0 HA PRO A 10 11.394 -6.683 4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.011 -6.497 6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.035 -7.998 5.897 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.706 -7.193 8.271 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.923 -8.726 7.946 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.584 -8.360 7.496 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.629 -9.448 6.507 1.00 0.00 H new ATOM 116 N PRO A 11 11.268 -4.311 5.050 1.00 0.00 N ATOM 117 CA PRO A 11 11.398 -2.865 5.248 1.00 0.00 C ATOM 118 C PRO A 11 10.793 -2.404 6.570 1.00 0.00 C ATOM 119 O PRO A 11 9.858 -3.020 7.083 1.00 0.00 O ATOM 120 CB PRO A 11 10.621 -2.274 4.069 1.00 0.00 C ATOM 121 CG PRO A 11 9.637 -3.329 3.697 1.00 0.00 C ATOM 122 CD PRO A 11 10.312 -4.642 3.980 1.00 0.00 C ATOM 0 HA PRO A 11 12.441 -2.551 5.289 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.121 -1.347 4.349 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.284 -2.039 3.236 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.719 -3.229 4.277 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.360 -3.251 2.646 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.597 -5.400 4.300 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.817 -5.033 3.097 1.00 0.00 H new ATOM 130 N ILE A 12 11.330 -1.318 7.115 1.00 0.00 N ATOM 131 CA ILE A 12 10.841 -0.775 8.376 1.00 0.00 C ATOM 132 C ILE A 12 10.292 0.635 8.191 1.00 0.00 C ATOM 133 O ILE A 12 10.341 1.192 7.094 1.00 0.00 O ATOM 134 CB ILE A 12 11.950 -0.746 9.444 1.00 0.00 C ATOM 135 CG1 ILE A 12 13.111 0.137 8.982 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.437 -2.156 9.742 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.257 0.194 9.967 1.00 0.00 C ATOM 0 H ILE A 12 12.104 -0.797 6.703 1.00 0.00 H new ATOM 0 HA ILE A 12 10.040 -1.433 8.713 1.00 0.00 H new ATOM 0 HB ILE A 12 11.539 -0.323 10.361 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.482 -0.235 8.027 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.741 1.148 8.809 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.221 -2.118 10.499 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.606 -2.758 10.110 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.834 -2.604 8.831 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.044 0.838 9.573 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.901 0.595 10.916 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.653 -0.809 10.122 1.00 0.00 H new ATOM 149 N ASP A 13 9.770 1.207 9.271 1.00 0.00 N ATOM 150 CA ASP A 13 9.213 2.554 9.229 1.00 0.00 C ATOM 151 C ASP A 13 8.052 2.632 8.242 1.00 0.00 C ATOM 152 O ASP A 13 7.830 3.665 7.609 1.00 0.00 O ATOM 153 CB ASP A 13 10.295 3.564 8.843 1.00 0.00 C ATOM 154 CG ASP A 13 10.017 4.949 9.393 1.00 0.00 C ATOM 155 OD1 ASP A 13 9.364 5.047 10.453 1.00 0.00 O ATOM 156 OD2 ASP A 13 10.454 5.935 8.764 1.00 0.00 O ATOM 0 H ASP A 13 9.721 0.759 10.186 1.00 0.00 H new ATOM 0 HA ASP A 13 8.838 2.797 10.223 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.260 3.217 9.212 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.369 3.616 7.757 1.00 0.00 H new ATOM 161 N LEU A 14 7.316 1.534 8.116 1.00 0.00 N ATOM 162 CA LEU A 14 6.177 1.477 7.206 1.00 0.00 C ATOM 163 C LEU A 14 5.042 2.369 7.697 1.00 0.00 C ATOM 164 O LEU A 14 4.377 2.058 8.686 1.00 0.00 O ATOM 165 CB LEU A 14 5.684 0.036 7.064 1.00 0.00 C ATOM 166 CG LEU A 14 5.012 -0.317 5.736 1.00 0.00 C ATOM 167 CD1 LEU A 14 5.997 -0.174 4.586 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.445 -1.728 5.784 1.00 0.00 C ATOM 0 H LEU A 14 7.487 0.671 8.632 1.00 0.00 H new ATOM 0 HA LEU A 14 6.504 1.840 6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.533 -0.633 7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.979 -0.166 7.870 1.00 0.00 H new ATOM 0 HG LEU A 14 4.189 0.378 5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.502 -0.429 3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.355 0.855 4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.841 -0.845 4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.971 -1.962 4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.251 -2.438 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.707 -1.797 6.583 1.00 0.00 H new ATOM 180 N VAL A 15 4.823 3.479 6.999 1.00 0.00 N ATOM 181 CA VAL A 15 3.766 4.415 7.362 1.00 0.00 C ATOM 182 C VAL A 15 3.303 5.217 6.151 1.00 0.00 C ATOM 183 O VAL A 15 4.043 5.380 5.181 1.00 0.00 O ATOM 184 CB VAL A 15 4.231 5.388 8.461 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.040 5.906 9.254 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.239 4.712 9.378 1.00 0.00 C ATOM 0 H VAL A 15 5.364 3.752 6.178 1.00 0.00 H new ATOM 0 HA VAL A 15 2.934 3.822 7.741 1.00 0.00 H new ATOM 0 HB VAL A 15 4.719 6.239 7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.388 6.592 10.026 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.357 6.429 8.585 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.521 5.068 9.720 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.557 5.414 10.149 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.778 3.842 9.847 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.105 4.395 8.796 1.00 0.00 H new ATOM 196 N VAL A 16 2.073 5.717 6.214 1.00 0.00 N ATOM 197 CA VAL A 16 1.510 6.504 5.123 1.00 0.00 C ATOM 198 C VAL A 16 1.461 7.985 5.483 1.00 0.00 C ATOM 199 O VAL A 16 0.975 8.360 6.551 1.00 0.00 O ATOM 200 CB VAL A 16 0.091 6.028 4.761 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.670 5.614 6.011 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.658 7.114 4.005 1.00 0.00 C ATOM 0 H VAL A 16 1.447 5.591 7.009 1.00 0.00 H new ATOM 0 HA VAL A 16 2.163 6.363 4.261 1.00 0.00 H new ATOM 0 HB VAL A 16 0.174 5.157 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.670 5.281 5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.141 4.800 6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.745 6.464 6.689 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.659 6.761 3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.732 8.006 4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.121 7.355 3.088 1.00 0.00 H new ATOM 212 N THR A 17 1.967 8.824 4.585 1.00 0.00 N ATOM 213 CA THR A 17 1.981 10.264 4.808 1.00 0.00 C ATOM 214 C THR A 17 0.752 10.927 4.197 1.00 0.00 C ATOM 215 O THR A 17 0.177 11.845 4.781 1.00 0.00 O ATOM 216 CB THR A 17 3.247 10.912 4.215 1.00 0.00 C ATOM 217 OG1 THR A 17 3.269 12.311 4.518 1.00 0.00 O ATOM 218 CG2 THR A 17 3.302 10.713 2.708 1.00 0.00 C ATOM 0 H THR A 17 2.373 8.531 3.696 1.00 0.00 H new ATOM 0 HA THR A 17 1.974 10.417 5.887 1.00 0.00 H new ATOM 0 HB THR A 17 4.117 10.431 4.661 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.077 12.715 4.139 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.204 11.179 2.312 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.315 9.647 2.482 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.426 11.170 2.248 1.00 0.00 H new ATOM 226 N GLU A 18 0.354 10.456 3.019 1.00 0.00 N ATOM 227 CA GLU A 18 -0.808 11.004 2.330 1.00 0.00 C ATOM 228 C GLU A 18 -1.779 9.896 1.934 1.00 0.00 C ATOM 229 O GLU A 18 -1.374 8.761 1.678 1.00 0.00 O ATOM 230 CB GLU A 18 -0.372 11.783 1.088 1.00 0.00 C ATOM 231 CG GLU A 18 0.351 13.081 1.406 1.00 0.00 C ATOM 232 CD GLU A 18 0.532 13.963 0.185 1.00 0.00 C ATOM 233 OE1 GLU A 18 -0.369 13.968 -0.680 1.00 0.00 O ATOM 234 OE2 GLU A 18 1.573 14.645 0.095 1.00 0.00 O ATOM 0 H GLU A 18 0.819 9.696 2.522 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.318 11.682 3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.280 11.152 0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.250 12.005 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.209 13.628 2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.328 12.853 1.833 1.00 0.00 H new ATOM 241 N THR A 19 -3.065 10.232 1.886 1.00 0.00 N ATOM 242 CA THR A 19 -4.094 9.267 1.523 1.00 0.00 C ATOM 243 C THR A 19 -5.158 9.905 0.636 1.00 0.00 C ATOM 244 O THR A 19 -5.933 10.749 1.087 1.00 0.00 O ATOM 245 CB THR A 19 -4.772 8.673 2.772 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.856 9.663 3.802 1.00 0.00 O ATOM 247 CG2 THR A 19 -4.001 7.465 3.284 1.00 0.00 C ATOM 0 H THR A 19 -3.418 11.166 2.094 1.00 0.00 H new ATOM 0 HA THR A 19 -3.598 8.468 0.973 1.00 0.00 H new ATOM 0 HB THR A 19 -5.776 8.352 2.495 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.290 9.277 4.592 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.499 7.063 4.166 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.965 6.701 2.508 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.986 7.765 3.545 1.00 0.00 H new ATOM 255 N THR A 20 -5.191 9.495 -0.628 1.00 0.00 N ATOM 256 CA THR A 20 -6.159 10.027 -1.579 1.00 0.00 C ATOM 257 C THR A 20 -7.402 9.147 -1.648 1.00 0.00 C ATOM 258 O THR A 20 -7.367 7.977 -1.268 1.00 0.00 O ATOM 259 CB THR A 20 -5.553 10.151 -2.989 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.134 10.327 -2.898 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.167 11.322 -3.741 1.00 0.00 C ATOM 0 H THR A 20 -4.558 8.796 -1.017 1.00 0.00 H new ATOM 0 HA THR A 20 -6.438 11.019 -1.224 1.00 0.00 H new ATOM 0 HB THR A 20 -5.771 9.234 -3.536 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.798 10.714 -3.733 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.723 11.389 -4.734 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.243 11.171 -3.834 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.976 12.246 -3.195 1.00 0.00 H new ATOM 269 N ALA A 21 -8.499 9.717 -2.136 1.00 0.00 N ATOM 270 CA ALA A 21 -9.752 8.982 -2.257 1.00 0.00 C ATOM 271 C ALA A 21 -9.583 7.752 -3.142 1.00 0.00 C ATOM 272 O ALA A 21 -10.269 6.745 -2.960 1.00 0.00 O ATOM 273 CB ALA A 21 -10.843 9.887 -2.811 1.00 0.00 C ATOM 0 H ALA A 21 -8.545 10.685 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.045 8.645 -1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.773 9.325 -2.896 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.990 10.733 -2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.548 10.252 -3.795 1.00 0.00 H new ATOM 279 N THR A 22 -8.667 7.839 -4.101 1.00 0.00 N ATOM 280 CA THR A 22 -8.409 6.733 -5.015 1.00 0.00 C ATOM 281 C THR A 22 -6.920 6.415 -5.087 1.00 0.00 C ATOM 282 O THR A 22 -6.468 5.720 -5.997 1.00 0.00 O ATOM 283 CB THR A 22 -8.926 7.044 -6.432 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.404 8.301 -6.879 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.446 7.083 -6.458 1.00 0.00 C ATOM 0 H THR A 22 -8.091 8.665 -4.265 1.00 0.00 H new ATOM 0 HA THR A 22 -8.943 5.867 -4.623 1.00 0.00 H new ATOM 0 HB THR A 22 -8.588 6.252 -7.100 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.736 8.491 -7.781 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.787 7.304 -7.469 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.840 6.116 -6.146 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.802 7.857 -5.778 1.00 0.00 H new ATOM 293 N SER A 23 -6.163 6.926 -4.122 1.00 0.00 N ATOM 294 CA SER A 23 -4.723 6.698 -4.079 1.00 0.00 C ATOM 295 C SER A 23 -4.194 6.836 -2.654 1.00 0.00 C ATOM 296 O SER A 23 -4.914 7.262 -1.751 1.00 0.00 O ATOM 297 CB SER A 23 -4.002 7.684 -5.000 1.00 0.00 C ATOM 298 OG SER A 23 -4.576 7.685 -6.295 1.00 0.00 O ATOM 0 H SER A 23 -6.522 7.500 -3.360 1.00 0.00 H new ATOM 0 HA SER A 23 -4.530 5.682 -4.423 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.053 8.687 -4.576 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.947 7.419 -5.067 1.00 0.00 H new ATOM 0 HG SER A 23 -4.099 8.324 -6.864 1.00 0.00 H new ATOM 304 N VAL A 24 -2.931 6.472 -2.461 1.00 0.00 N ATOM 305 CA VAL A 24 -2.303 6.556 -1.148 1.00 0.00 C ATOM 306 C VAL A 24 -0.785 6.630 -1.268 1.00 0.00 C ATOM 307 O VAL A 24 -0.200 6.119 -2.223 1.00 0.00 O ATOM 308 CB VAL A 24 -2.679 5.348 -0.269 1.00 0.00 C ATOM 309 CG1 VAL A 24 -2.599 4.058 -1.071 1.00 0.00 C ATOM 310 CG2 VAL A 24 -1.779 5.280 0.956 1.00 0.00 C ATOM 0 H VAL A 24 -2.322 6.116 -3.198 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.672 7.468 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.707 5.474 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.868 3.216 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.289 4.110 -1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.583 3.922 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.059 4.421 1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.741 5.178 0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.892 6.192 1.541 1.00 0.00 H new ATOM 320 N THR A 25 -0.151 7.272 -0.291 1.00 0.00 N ATOM 321 CA THR A 25 1.300 7.414 -0.286 1.00 0.00 C ATOM 322 C THR A 25 1.916 6.730 0.928 1.00 0.00 C ATOM 323 O THR A 25 1.679 7.133 2.068 1.00 0.00 O ATOM 324 CB THR A 25 1.718 8.897 -0.293 1.00 0.00 C ATOM 325 OG1 THR A 25 1.017 9.599 -1.325 1.00 0.00 O ATOM 326 CG2 THR A 25 3.218 9.035 -0.507 1.00 0.00 C ATOM 0 H THR A 25 -0.620 7.702 0.507 1.00 0.00 H new ATOM 0 HA THR A 25 1.668 6.935 -1.194 1.00 0.00 H new ATOM 0 HB THR A 25 1.464 9.328 0.675 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.399 10.496 -1.428 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.490 10.091 -0.508 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.749 8.525 0.297 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.492 8.589 -1.463 1.00 0.00 H new ATOM 334 N LEU A 26 2.708 5.693 0.678 1.00 0.00 N ATOM 335 CA LEU A 26 3.359 4.951 1.752 1.00 0.00 C ATOM 336 C LEU A 26 4.864 5.200 1.750 1.00 0.00 C ATOM 337 O LEU A 26 5.449 5.532 0.718 1.00 0.00 O ATOM 338 CB LEU A 26 3.078 3.455 1.610 1.00 0.00 C ATOM 339 CG LEU A 26 3.256 2.615 2.875 1.00 0.00 C ATOM 340 CD1 LEU A 26 2.052 2.770 3.792 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.471 1.151 2.518 1.00 0.00 C ATOM 0 H LEU A 26 2.915 5.347 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 26 2.952 5.301 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.055 3.330 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.734 3.054 0.837 1.00 0.00 H new ATOM 0 HG LEU A 26 4.139 2.973 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.196 2.165 4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.943 3.817 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.153 2.439 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.596 0.568 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.607 0.780 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.364 1.054 1.901 1.00 0.00 H new ATOM 353 N THR A 27 5.488 5.035 2.913 1.00 0.00 N ATOM 354 CA THR A 27 6.925 5.240 3.045 1.00 0.00 C ATOM 355 C THR A 27 7.550 4.185 3.950 1.00 0.00 C ATOM 356 O THR A 27 6.855 3.529 4.727 1.00 0.00 O ATOM 357 CB THR A 27 7.243 6.637 3.609 1.00 0.00 C ATOM 358 OG1 THR A 27 6.490 6.866 4.805 1.00 0.00 O ATOM 359 CG2 THR A 27 6.924 7.719 2.588 1.00 0.00 C ATOM 0 H THR A 27 5.020 4.760 3.777 1.00 0.00 H new ATOM 0 HA THR A 27 7.350 5.154 2.045 1.00 0.00 H new ATOM 0 HB THR A 27 8.308 6.678 3.837 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.689 6.301 4.801 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.157 8.697 3.009 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.521 7.559 1.690 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.865 7.677 2.332 1.00 0.00 H new ATOM 367 N TRP A 28 8.864 4.025 3.845 1.00 0.00 N ATOM 368 CA TRP A 28 9.583 3.049 4.655 1.00 0.00 C ATOM 369 C TRP A 28 11.089 3.185 4.463 1.00 0.00 C ATOM 370 O TRP A 28 11.553 4.038 3.706 1.00 0.00 O ATOM 371 CB TRP A 28 9.137 1.630 4.297 1.00 0.00 C ATOM 372 CG TRP A 28 9.486 1.235 2.894 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.628 0.614 2.477 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.686 1.436 1.723 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.587 0.416 1.118 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.406 0.911 0.632 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.432 2.006 1.490 1.00 0.00 C ATOM 378 CZ2 TRP A 28 8.912 0.941 -0.669 1.00 0.00 C ATOM 379 CZ3 TRP A 28 6.943 2.036 0.198 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.681 1.506 -0.868 1.00 0.00 C ATOM 0 H TRP A 28 9.454 4.559 3.206 1.00 0.00 H new ATOM 0 HA TRP A 28 9.350 3.242 5.702 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.597 0.926 4.990 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.058 1.551 4.432 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.444 0.321 3.121 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.318 -0.028 0.561 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.855 2.416 2.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.480 0.533 -1.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.975 2.476 0.007 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.271 1.544 -1.866 1.00 0.00 H new ATOM 391 N ASP A 29 11.848 2.340 5.152 1.00 0.00 N ATOM 392 CA ASP A 29 13.303 2.365 5.056 1.00 0.00 C ATOM 393 C ASP A 29 13.834 1.048 4.499 1.00 0.00 C ATOM 394 O ASP A 29 13.174 0.013 4.591 1.00 0.00 O ATOM 395 CB ASP A 29 13.922 2.640 6.427 1.00 0.00 C ATOM 396 CG ASP A 29 14.127 4.120 6.683 1.00 0.00 C ATOM 397 OD1 ASP A 29 14.676 4.805 5.795 1.00 0.00 O ATOM 398 OD2 ASP A 29 13.741 4.593 7.773 1.00 0.00 O ATOM 0 H ASP A 29 11.480 1.629 5.783 1.00 0.00 H new ATOM 0 HA ASP A 29 13.583 3.167 4.373 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.278 2.226 7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.880 2.125 6.500 1.00 0.00 H new ATOM 403 N SER A 30 15.030 1.095 3.921 1.00 0.00 N ATOM 404 CA SER A 30 15.648 -0.094 3.345 1.00 0.00 C ATOM 405 C SER A 30 15.625 -1.253 4.337 1.00 0.00 C ATOM 406 O SER A 30 15.247 -2.372 3.993 1.00 0.00 O ATOM 407 CB SER A 30 17.089 0.206 2.927 1.00 0.00 C ATOM 408 OG SER A 30 17.137 1.266 1.989 1.00 0.00 O ATOM 0 H SER A 30 15.590 1.943 3.839 1.00 0.00 H new ATOM 0 HA SER A 30 15.074 -0.381 2.464 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.679 0.467 3.806 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.539 -0.687 2.494 1.00 0.00 H new ATOM 0 HG SER A 30 18.069 1.440 1.739 1.00 0.00 H new ATOM 414 N GLY A 31 16.032 -0.975 5.572 1.00 0.00 N ATOM 415 CA GLY A 31 16.051 -2.004 6.596 1.00 0.00 C ATOM 416 C GLY A 31 17.216 -2.960 6.435 1.00 0.00 C ATOM 417 O GLY A 31 17.918 -3.261 7.399 1.00 0.00 O ATOM 0 H GLY A 31 16.349 -0.056 5.882 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.104 -1.534 7.578 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.117 -2.565 6.561 1.00 0.00 H new ATOM 421 N ASN A 32 17.420 -3.441 5.213 1.00 0.00 N ATOM 422 CA ASN A 32 18.507 -4.372 4.930 1.00 0.00 C ATOM 423 C ASN A 32 19.767 -3.623 4.504 1.00 0.00 C ATOM 424 O ASN A 32 19.698 -2.485 4.041 1.00 0.00 O ATOM 425 CB ASN A 32 18.091 -5.357 3.836 1.00 0.00 C ATOM 426 CG ASN A 32 17.107 -4.749 2.855 1.00 0.00 C ATOM 427 OD1 ASN A 32 17.497 -4.054 1.917 1.00 0.00 O ATOM 428 ND2 ASN A 32 15.822 -5.011 3.068 1.00 0.00 N ATOM 0 H ASN A 32 16.848 -3.202 4.403 1.00 0.00 H new ATOM 0 HA ASN A 32 18.726 -4.925 5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.977 -5.693 3.297 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.644 -6.239 4.295 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.113 -4.631 2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.544 -5.592 3.859 1.00 0.00 H new ATOM 475 N VAL A 36 19.694 -4.745 -2.471 1.00 0.00 N ATOM 476 CA VAL A 36 18.447 -5.341 -2.938 1.00 0.00 C ATOM 477 C VAL A 36 18.089 -4.844 -4.334 1.00 0.00 C ATOM 478 O VAL A 36 18.432 -3.724 -4.714 1.00 0.00 O ATOM 479 CB VAL A 36 17.283 -5.029 -1.979 1.00 0.00 C ATOM 480 CG1 VAL A 36 16.183 -6.071 -2.117 1.00 0.00 C ATOM 481 CG2 VAL A 36 17.780 -4.955 -0.544 1.00 0.00 C ATOM 0 HA VAL A 36 18.603 -6.419 -2.969 1.00 0.00 H new ATOM 0 HB VAL A 36 16.866 -4.058 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 36 15.369 -5.834 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.808 -6.070 -3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.583 -7.056 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.944 -4.734 0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.224 -5.910 -0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.529 -4.168 -0.459 1.00 0.00 H new ATOM 491 N THR A 37 17.396 -5.685 -5.096 1.00 0.00 N ATOM 492 CA THR A 37 16.991 -5.332 -6.450 1.00 0.00 C ATOM 493 C THR A 37 15.806 -4.373 -6.438 1.00 0.00 C ATOM 494 O THR A 37 15.894 -3.256 -6.948 1.00 0.00 O ATOM 495 CB THR A 37 16.617 -6.583 -7.268 1.00 0.00 C ATOM 496 OG1 THR A 37 17.698 -7.521 -7.251 1.00 0.00 O ATOM 497 CG2 THR A 37 16.285 -6.210 -8.706 1.00 0.00 C ATOM 0 H THR A 37 17.104 -6.616 -4.798 1.00 0.00 H new ATOM 0 HA THR A 37 17.845 -4.843 -6.918 1.00 0.00 H new ATOM 0 HB THR A 37 15.736 -7.037 -6.814 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.451 -8.314 -7.772 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.024 -7.109 -9.264 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.442 -5.519 -8.717 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.150 -5.735 -9.168 1.00 0.00 H new ATOM 505 N TYR A 38 14.699 -4.816 -5.853 1.00 0.00 N ATOM 506 CA TYR A 38 13.495 -3.997 -5.776 1.00 0.00 C ATOM 507 C TYR A 38 12.637 -4.401 -4.581 1.00 0.00 C ATOM 508 O TYR A 38 12.920 -5.391 -3.905 1.00 0.00 O ATOM 509 CB TYR A 38 12.684 -4.123 -7.066 1.00 0.00 C ATOM 510 CG TYR A 38 11.875 -5.397 -7.151 1.00 0.00 C ATOM 511 CD1 TYR A 38 12.453 -6.583 -7.588 1.00 0.00 C ATOM 512 CD2 TYR A 38 10.532 -5.416 -6.794 1.00 0.00 C ATOM 513 CE1 TYR A 38 11.717 -7.749 -7.668 1.00 0.00 C ATOM 514 CE2 TYR A 38 9.789 -6.578 -6.869 1.00 0.00 C ATOM 515 CZ TYR A 38 10.386 -7.742 -7.307 1.00 0.00 C ATOM 516 OH TYR A 38 9.650 -8.902 -7.384 1.00 0.00 O ATOM 0 H TYR A 38 14.610 -5.738 -5.425 1.00 0.00 H new ATOM 0 HA TYR A 38 13.800 -2.959 -5.647 1.00 0.00 H new ATOM 0 HB2 TYR A 38 12.011 -3.269 -7.147 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.363 -4.076 -7.918 1.00 0.00 H new ATOM 0 HD1 TYR A 38 13.496 -6.593 -7.870 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.061 -4.506 -6.452 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.181 -8.662 -8.011 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.747 -6.575 -6.586 1.00 0.00 H new ATOM 0 HH TYR A 38 8.731 -8.726 -7.093 1.00 0.00 H new ATOM 526 N TYR A 39 11.587 -3.629 -4.327 1.00 0.00 N ATOM 527 CA TYR A 39 10.687 -3.904 -3.214 1.00 0.00 C ATOM 528 C TYR A 39 9.253 -4.083 -3.703 1.00 0.00 C ATOM 529 O TYR A 39 8.694 -3.204 -4.358 1.00 0.00 O ATOM 530 CB TYR A 39 10.749 -2.771 -2.188 1.00 0.00 C ATOM 531 CG TYR A 39 12.102 -2.625 -1.528 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.224 -2.275 -2.269 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.258 -2.840 -0.164 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.462 -2.142 -1.671 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.492 -2.707 0.443 1.00 0.00 C ATOM 536 CZ TYR A 39 14.591 -2.358 -0.315 1.00 0.00 C ATOM 537 OH TYR A 39 15.822 -2.227 0.286 1.00 0.00 O ATOM 0 H TYR A 39 11.338 -2.807 -4.877 1.00 0.00 H new ATOM 0 HA TYR A 39 11.009 -4.832 -2.742 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.491 -1.833 -2.679 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.996 -2.946 -1.419 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.126 -2.104 -3.331 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.400 -3.116 0.432 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.324 -1.870 -2.262 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.596 -2.875 1.505 1.00 0.00 H new ATOM 0 HH TYR A 39 15.988 -3.001 0.863 1.00 0.00 H new ATOM 547 N GLY A 40 8.663 -5.230 -3.380 1.00 0.00 N ATOM 548 CA GLY A 40 7.299 -5.505 -3.793 1.00 0.00 C ATOM 549 C GLY A 40 6.275 -4.918 -2.842 1.00 0.00 C ATOM 550 O GLY A 40 6.565 -4.698 -1.666 1.00 0.00 O ATOM 0 H GLY A 40 9.105 -5.974 -2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.137 -5.100 -4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.153 -6.583 -3.859 1.00 0.00 H new ATOM 554 N ILE A 41 5.075 -4.662 -3.352 1.00 0.00 N ATOM 555 CA ILE A 41 4.005 -4.097 -2.539 1.00 0.00 C ATOM 556 C ILE A 41 2.706 -4.874 -2.722 1.00 0.00 C ATOM 557 O ILE A 41 2.331 -5.219 -3.842 1.00 0.00 O ATOM 558 CB ILE A 41 3.757 -2.617 -2.885 1.00 0.00 C ATOM 559 CG1 ILE A 41 5.063 -1.824 -2.794 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.705 -2.025 -1.959 1.00 0.00 C ATOM 561 CD1 ILE A 41 4.875 -0.331 -2.952 1.00 0.00 C ATOM 0 H ILE A 41 4.819 -4.837 -4.324 1.00 0.00 H new ATOM 0 HA ILE A 41 4.326 -4.171 -1.500 1.00 0.00 H new ATOM 0 HB ILE A 41 3.387 -2.555 -3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.533 -2.023 -1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.749 -2.179 -3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.541 -0.979 -2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.771 -2.576 -2.069 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.048 -2.095 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.841 0.167 -2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.433 -0.121 -3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.215 0.038 -2.167 1.00 0.00 H new ATOM 573 N GLN A 42 2.024 -5.145 -1.613 1.00 0.00 N ATOM 574 CA GLN A 42 0.766 -5.881 -1.652 1.00 0.00 C ATOM 575 C GLN A 42 -0.290 -5.200 -0.788 1.00 0.00 C ATOM 576 O GLN A 42 -0.012 -4.787 0.338 1.00 0.00 O ATOM 577 CB GLN A 42 0.978 -7.320 -1.180 1.00 0.00 C ATOM 578 CG GLN A 42 1.825 -8.153 -2.128 1.00 0.00 C ATOM 579 CD GLN A 42 3.311 -8.009 -1.863 1.00 0.00 C ATOM 580 OE1 GLN A 42 3.740 -7.106 -1.144 1.00 0.00 O ATOM 581 NE2 GLN A 42 4.106 -8.899 -2.445 1.00 0.00 N ATOM 0 H GLN A 42 2.321 -4.866 -0.678 1.00 0.00 H new ATOM 0 HA GLN A 42 0.413 -5.893 -2.683 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.453 -7.305 -0.199 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.007 -7.800 -1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.543 -9.202 -2.035 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.613 -7.856 -3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.708 -9.631 -3.033 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.115 -8.851 -2.304 1.00 0.00 H new ATOM 590 N TYR A 43 -1.501 -5.086 -1.321 1.00 0.00 N ATOM 591 CA TYR A 43 -2.598 -4.453 -0.600 1.00 0.00 C ATOM 592 C TYR A 43 -3.937 -5.071 -0.990 1.00 0.00 C ATOM 593 O TYR A 43 -4.149 -5.440 -2.146 1.00 0.00 O ATOM 594 CB TYR A 43 -2.618 -2.949 -0.878 1.00 0.00 C ATOM 595 CG TYR A 43 -2.811 -2.606 -2.338 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.753 -2.681 -3.235 1.00 0.00 C ATOM 597 CD2 TYR A 43 -4.051 -2.206 -2.820 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.925 -2.367 -4.570 1.00 0.00 C ATOM 599 CE2 TYR A 43 -4.233 -1.892 -4.153 1.00 0.00 C ATOM 600 CZ TYR A 43 -3.166 -1.974 -5.024 1.00 0.00 C ATOM 601 OH TYR A 43 -3.342 -1.661 -6.352 1.00 0.00 O ATOM 0 H TYR A 43 -1.748 -5.424 -2.251 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.440 -4.617 0.466 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.419 -2.491 -0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.682 -2.511 -0.531 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.780 -2.990 -2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.888 -2.139 -2.140 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.092 -2.429 -5.254 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.204 -1.584 -4.511 1.00 0.00 H new ATOM 0 HH TYR A 43 -4.275 -1.405 -6.507 1.00 0.00 H new ATOM 611 N ARG A 44 -4.836 -5.182 -0.018 1.00 0.00 N ATOM 612 CA ARG A 44 -6.154 -5.756 -0.259 1.00 0.00 C ATOM 613 C ARG A 44 -7.195 -5.135 0.668 1.00 0.00 C ATOM 614 O ARG A 44 -6.891 -4.771 1.804 1.00 0.00 O ATOM 615 CB ARG A 44 -6.118 -7.272 -0.059 1.00 0.00 C ATOM 616 CG ARG A 44 -7.439 -7.959 -0.365 1.00 0.00 C ATOM 617 CD ARG A 44 -7.523 -8.382 -1.823 1.00 0.00 C ATOM 618 NE ARG A 44 -8.902 -8.434 -2.299 1.00 0.00 N ATOM 619 CZ ARG A 44 -9.574 -7.368 -2.722 1.00 0.00 C ATOM 620 NH1 ARG A 44 -8.996 -6.175 -2.728 1.00 0.00 N ATOM 621 NH2 ARG A 44 -10.827 -7.495 -3.141 1.00 0.00 N ATOM 0 H ARG A 44 -4.676 -4.882 0.944 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.434 -5.539 -1.290 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.342 -7.696 -0.696 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.837 -7.487 0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.552 -8.834 0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.263 -7.285 -0.133 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.954 -7.683 -2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.061 -9.362 -1.943 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.376 -9.337 -2.307 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.033 -6.073 -2.407 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.514 -5.359 -3.053 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.275 -8.411 -3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.342 -6.676 -3.465 1.00 0.00 H new ATOM 635 N ALA A 45 -8.424 -5.017 0.175 1.00 0.00 N ATOM 636 CA ALA A 45 -9.510 -4.442 0.959 1.00 0.00 C ATOM 637 C ALA A 45 -9.538 -5.024 2.368 1.00 0.00 C ATOM 638 O ALA A 45 -9.818 -6.208 2.555 1.00 0.00 O ATOM 639 CB ALA A 45 -10.843 -4.674 0.263 1.00 0.00 C ATOM 0 H ALA A 45 -8.692 -5.312 -0.764 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.337 -3.369 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.645 -4.240 0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.827 -4.204 -0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.013 -5.745 0.151 1.00 0.00 H new ATOM 732 N GLN A 53 -3.216 -7.869 -3.861 1.00 0.00 N ATOM 733 CA GLN A 53 -2.572 -7.342 -5.059 1.00 0.00 C ATOM 734 C GLN A 53 -1.063 -7.554 -5.004 1.00 0.00 C ATOM 735 O GLN A 53 -0.517 -7.921 -3.964 1.00 0.00 O ATOM 736 CB GLN A 53 -2.885 -5.853 -5.217 1.00 0.00 C ATOM 737 CG GLN A 53 -4.212 -5.580 -5.906 1.00 0.00 C ATOM 738 CD GLN A 53 -4.226 -6.041 -7.351 1.00 0.00 C ATOM 739 OE1 GLN A 53 -3.594 -5.432 -8.214 1.00 0.00 O ATOM 740 NE2 GLN A 53 -4.948 -7.122 -7.621 1.00 0.00 N ATOM 0 HA GLN A 53 -2.964 -7.882 -5.920 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.893 -5.386 -4.232 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.085 -5.381 -5.787 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.010 -6.083 -5.360 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.424 -4.511 -5.868 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.456 -7.596 -6.874 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.994 -7.479 -8.575 1.00 0.00 H new ATOM 749 N GLU A 54 -0.396 -7.321 -6.130 1.00 0.00 N ATOM 750 CA GLU A 54 1.050 -7.488 -6.209 1.00 0.00 C ATOM 751 C GLU A 54 1.664 -6.468 -7.163 1.00 0.00 C ATOM 752 O GLU A 54 1.389 -6.479 -8.363 1.00 0.00 O ATOM 753 CB GLU A 54 1.397 -8.906 -6.668 1.00 0.00 C ATOM 754 CG GLU A 54 2.835 -9.304 -6.379 1.00 0.00 C ATOM 755 CD GLU A 54 3.072 -10.794 -6.540 1.00 0.00 C ATOM 756 OE1 GLU A 54 2.426 -11.404 -7.418 1.00 0.00 O ATOM 757 OE2 GLU A 54 3.901 -11.348 -5.789 1.00 0.00 O ATOM 0 H GLU A 54 -0.834 -7.016 -6.999 1.00 0.00 H new ATOM 0 HA GLU A 54 1.464 -7.324 -5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.728 -9.612 -6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.215 -8.987 -7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.500 -8.760 -7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.093 -9.007 -5.363 1.00 0.00 H new ATOM 764 N VAL A 55 2.498 -5.587 -6.621 1.00 0.00 N ATOM 765 CA VAL A 55 3.152 -4.560 -7.423 1.00 0.00 C ATOM 766 C VAL A 55 4.669 -4.713 -7.382 1.00 0.00 C ATOM 767 O VAL A 55 5.277 -4.690 -6.312 1.00 0.00 O ATOM 768 CB VAL A 55 2.778 -3.146 -6.939 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.352 -2.092 -7.873 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.267 -3.005 -6.826 1.00 0.00 C ATOM 0 H VAL A 55 2.737 -5.564 -5.630 1.00 0.00 H new ATOM 0 HA VAL A 55 2.803 -4.690 -8.448 1.00 0.00 H new ATOM 0 HB VAL A 55 3.210 -2.993 -5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.077 -1.100 -7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.438 -2.181 -7.898 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.953 -2.239 -8.877 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.020 -2.000 -6.483 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.812 -3.178 -7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.886 -3.736 -6.113 1.00 0.00 H new ATOM 780 N ASP A 56 5.273 -4.870 -8.554 1.00 0.00 N ATOM 781 CA ASP A 56 6.720 -5.027 -8.654 1.00 0.00 C ATOM 782 C ASP A 56 7.333 -3.897 -9.475 1.00 0.00 C ATOM 783 O ASP A 56 6.784 -3.491 -10.498 1.00 0.00 O ATOM 784 CB ASP A 56 7.066 -6.377 -9.282 1.00 0.00 C ATOM 785 CG ASP A 56 6.483 -6.536 -10.672 1.00 0.00 C ATOM 786 OD1 ASP A 56 5.385 -5.994 -10.921 1.00 0.00 O ATOM 787 OD2 ASP A 56 7.124 -7.201 -11.512 1.00 0.00 O ATOM 0 H ASP A 56 4.784 -4.892 -9.449 1.00 0.00 H new ATOM 0 HA ASP A 56 7.136 -4.987 -7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.150 -6.484 -9.331 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.695 -7.178 -8.642 1.00 0.00 H new ATOM 792 N GLY A 57 8.476 -3.393 -9.019 1.00 0.00 N ATOM 793 CA GLY A 57 9.144 -2.314 -9.722 1.00 0.00 C ATOM 794 C GLY A 57 9.298 -1.072 -8.868 1.00 0.00 C ATOM 795 O GLY A 57 9.170 0.049 -9.360 1.00 0.00 O ATOM 0 H GLY A 57 8.951 -3.713 -8.175 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.128 -2.651 -10.048 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.579 -2.065 -10.620 1.00 0.00 H new ATOM 799 N VAL A 58 9.572 -1.270 -7.582 1.00 0.00 N ATOM 800 CA VAL A 58 9.743 -0.157 -6.656 1.00 0.00 C ATOM 801 C VAL A 58 11.184 -0.065 -6.167 1.00 0.00 C ATOM 802 O VAL A 58 11.549 -0.673 -5.162 1.00 0.00 O ATOM 803 CB VAL A 58 8.807 -0.290 -5.440 1.00 0.00 C ATOM 804 CG1 VAL A 58 8.838 0.979 -4.601 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.389 -0.606 -5.891 1.00 0.00 C ATOM 0 H VAL A 58 9.680 -2.191 -7.158 1.00 0.00 H new ATOM 0 HA VAL A 58 9.490 0.751 -7.203 1.00 0.00 H new ATOM 0 HB VAL A 58 9.159 -1.115 -4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.171 0.867 -3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.854 1.157 -4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.512 1.824 -5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.741 -0.696 -5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.024 0.196 -6.532 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.384 -1.544 -6.445 1.00 0.00 H new ATOM 815 N ALA A 59 11.999 0.702 -6.885 1.00 0.00 N ATOM 816 CA ALA A 59 13.400 0.876 -6.523 1.00 0.00 C ATOM 817 C ALA A 59 13.592 2.111 -5.650 1.00 0.00 C ATOM 818 O ALA A 59 14.648 2.743 -5.673 1.00 0.00 O ATOM 819 CB ALA A 59 14.260 0.973 -7.775 1.00 0.00 C ATOM 0 H ALA A 59 11.713 1.212 -7.720 1.00 0.00 H new ATOM 0 HA ALA A 59 13.712 0.005 -5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.304 1.103 -7.490 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.154 0.060 -8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.938 1.826 -8.372 1.00 0.00 H new ATOM 825 N THR A 60 12.563 2.451 -4.880 1.00 0.00 N ATOM 826 CA THR A 60 12.617 3.612 -4.000 1.00 0.00 C ATOM 827 C THR A 60 12.102 3.270 -2.607 1.00 0.00 C ATOM 828 O THR A 60 11.475 2.231 -2.402 1.00 0.00 O ATOM 829 CB THR A 60 11.795 4.785 -4.566 1.00 0.00 C ATOM 830 OG1 THR A 60 10.565 4.300 -5.116 1.00 0.00 O ATOM 831 CG2 THR A 60 12.578 5.528 -5.638 1.00 0.00 C ATOM 0 H THR A 60 11.682 1.938 -4.848 1.00 0.00 H new ATOM 0 HA THR A 60 13.663 3.910 -3.934 1.00 0.00 H new ATOM 0 HB THR A 60 11.581 5.476 -3.751 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.811 4.701 -4.635 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.977 6.352 -6.022 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.500 5.921 -5.209 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.819 4.844 -6.452 1.00 0.00 H new ATOM 839 N THR A 61 12.370 4.153 -1.649 1.00 0.00 N ATOM 840 CA THR A 61 11.933 3.945 -0.274 1.00 0.00 C ATOM 841 C THR A 61 10.566 4.573 -0.030 1.00 0.00 C ATOM 842 O THR A 61 10.124 4.695 1.113 1.00 0.00 O ATOM 843 CB THR A 61 12.943 4.532 0.731 1.00 0.00 C ATOM 844 OG1 THR A 61 13.478 5.760 0.226 1.00 0.00 O ATOM 845 CG2 THR A 61 14.075 3.551 0.997 1.00 0.00 C ATOM 0 H THR A 61 12.888 5.019 -1.801 1.00 0.00 H new ATOM 0 HA THR A 61 11.866 2.868 -0.123 1.00 0.00 H new ATOM 0 HB THR A 61 12.421 4.722 1.669 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.118 6.128 0.871 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.775 3.988 1.709 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.667 2.628 1.409 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.595 3.334 0.064 1.00 0.00 H new ATOM 853 N ARG A 62 9.901 4.969 -1.110 1.00 0.00 N ATOM 854 CA ARG A 62 8.583 5.585 -1.012 1.00 0.00 C ATOM 855 C ARG A 62 7.794 5.390 -2.304 1.00 0.00 C ATOM 856 O ARG A 62 8.287 5.679 -3.394 1.00 0.00 O ATOM 857 CB ARG A 62 8.717 7.078 -0.705 1.00 0.00 C ATOM 858 CG ARG A 62 7.451 7.873 -0.983 1.00 0.00 C ATOM 859 CD ARG A 62 7.613 9.333 -0.590 1.00 0.00 C ATOM 860 NE ARG A 62 8.325 10.098 -1.609 1.00 0.00 N ATOM 861 CZ ARG A 62 9.650 10.178 -1.677 1.00 0.00 C ATOM 862 NH1 ARG A 62 10.401 9.541 -0.789 1.00 0.00 N ATOM 863 NH2 ARG A 62 10.225 10.894 -2.634 1.00 0.00 N ATOM 0 H ARG A 62 10.253 4.874 -2.063 1.00 0.00 H new ATOM 0 HA ARG A 62 8.042 5.100 -0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.991 7.202 0.343 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.533 7.491 -1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.203 7.806 -2.042 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.618 7.437 -0.432 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.630 9.775 -0.425 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.153 9.396 0.354 1.00 0.00 H new ATOM 0 HE ARG A 62 7.775 10.599 -2.307 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.962 8.989 -0.052 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.418 9.603 -0.843 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.650 11.384 -3.319 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.242 10.954 -2.685 1.00 0.00 H new ATOM 877 N TYR A 63 6.568 4.897 -2.172 1.00 0.00 N ATOM 878 CA TYR A 63 5.712 4.660 -3.328 1.00 0.00 C ATOM 879 C TYR A 63 4.243 4.869 -2.971 1.00 0.00 C ATOM 880 O TYR A 63 3.839 4.681 -1.824 1.00 0.00 O ATOM 881 CB TYR A 63 5.921 3.241 -3.862 1.00 0.00 C ATOM 882 CG TYR A 63 4.957 2.860 -4.963 1.00 0.00 C ATOM 883 CD1 TYR A 63 5.187 3.246 -6.278 1.00 0.00 C ATOM 884 CD2 TYR A 63 3.817 2.116 -4.688 1.00 0.00 C ATOM 885 CE1 TYR A 63 4.309 2.900 -7.287 1.00 0.00 C ATOM 886 CE2 TYR A 63 2.934 1.765 -5.691 1.00 0.00 C ATOM 887 CZ TYR A 63 3.184 2.160 -6.989 1.00 0.00 C ATOM 888 OH TYR A 63 2.307 1.813 -7.991 1.00 0.00 O ATOM 0 H TYR A 63 6.145 4.654 -1.276 1.00 0.00 H new ATOM 0 HA TYR A 63 5.985 5.377 -4.102 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.941 3.149 -4.236 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.818 2.533 -3.039 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.067 3.826 -6.515 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.617 1.807 -3.673 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.503 3.207 -8.304 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.053 1.185 -5.460 1.00 0.00 H new ATOM 0 HH TYR A 63 1.568 1.292 -7.613 1.00 0.00 H new ATOM 898 N SER A 64 3.450 5.260 -3.963 1.00 0.00 N ATOM 899 CA SER A 64 2.026 5.499 -3.755 1.00 0.00 C ATOM 900 C SER A 64 1.187 4.455 -4.487 1.00 0.00 C ATOM 901 O SER A 64 1.528 4.033 -5.592 1.00 0.00 O ATOM 902 CB SER A 64 1.648 6.901 -4.234 1.00 0.00 C ATOM 903 OG SER A 64 1.887 7.048 -5.623 1.00 0.00 O ATOM 0 H SER A 64 3.769 5.418 -4.919 1.00 0.00 H new ATOM 0 HA SER A 64 1.821 5.420 -2.687 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.596 7.090 -4.021 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.223 7.644 -3.682 1.00 0.00 H new ATOM 0 HG SER A 64 1.635 7.952 -5.904 1.00 0.00 H new ATOM 909 N ILE A 65 0.089 4.044 -3.862 1.00 0.00 N ATOM 910 CA ILE A 65 -0.799 3.052 -4.453 1.00 0.00 C ATOM 911 C ILE A 65 -2.083 3.697 -4.962 1.00 0.00 C ATOM 912 O ILE A 65 -2.635 4.593 -4.325 1.00 0.00 O ATOM 913 CB ILE A 65 -1.159 1.946 -3.444 1.00 0.00 C ATOM 914 CG1 ILE A 65 0.105 1.221 -2.976 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.142 0.963 -4.062 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.744 1.847 -1.756 1.00 0.00 C ATOM 0 H ILE A 65 -0.207 4.383 -2.946 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.262 2.607 -5.291 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.633 2.407 -2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.142 0.183 -2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.830 1.209 -3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.386 0.188 -3.336 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.052 1.490 -4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.693 0.506 -4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.634 1.281 -1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.023 2.877 -1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.036 1.835 -0.928 1.00 0.00 H new ATOM 928 N GLY A 66 -2.555 3.234 -6.116 1.00 0.00 N ATOM 929 CA GLY A 66 -3.772 3.776 -6.691 1.00 0.00 C ATOM 930 C GLY A 66 -4.752 2.695 -7.101 1.00 0.00 C ATOM 931 O GLY A 66 -4.433 1.507 -7.053 1.00 0.00 O ATOM 0 H GLY A 66 -2.116 2.493 -6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.248 4.438 -5.968 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.520 4.383 -7.561 1.00 0.00 H new ATOM 935 N GLY A 67 -5.950 3.106 -7.505 1.00 0.00 N ATOM 936 CA GLY A 67 -6.962 2.150 -7.917 1.00 0.00 C ATOM 937 C GLY A 67 -7.786 1.639 -6.752 1.00 0.00 C ATOM 938 O GLY A 67 -8.286 0.514 -6.782 1.00 0.00 O ATOM 0 H GLY A 67 -6.238 4.083 -7.554 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.622 2.617 -8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.481 1.308 -8.415 1.00 0.00 H new ATOM 942 N LEU A 68 -7.929 2.467 -5.723 1.00 0.00 N ATOM 943 CA LEU A 68 -8.697 2.092 -4.541 1.00 0.00 C ATOM 944 C LEU A 68 -10.008 2.868 -4.475 1.00 0.00 C ATOM 945 O LEU A 68 -10.254 3.762 -5.286 1.00 0.00 O ATOM 946 CB LEU A 68 -7.878 2.345 -3.274 1.00 0.00 C ATOM 947 CG LEU A 68 -6.448 1.804 -3.281 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.681 2.306 -2.067 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.453 0.282 -3.318 1.00 0.00 C ATOM 0 H LEU A 68 -7.523 3.402 -5.683 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.928 1.029 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.838 3.420 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.408 1.905 -2.429 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.947 2.168 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.665 1.911 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.647 3.395 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.181 1.972 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.427 -0.085 -3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.972 -0.102 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.964 -0.058 -4.219 1.00 0.00 H new ATOM 961 N SER A 69 -10.847 2.522 -3.504 1.00 0.00 N ATOM 962 CA SER A 69 -12.135 3.185 -3.333 1.00 0.00 C ATOM 963 C SER A 69 -12.046 4.279 -2.273 1.00 0.00 C ATOM 964 O SER A 69 -11.366 4.140 -1.257 1.00 0.00 O ATOM 965 CB SER A 69 -13.209 2.167 -2.944 1.00 0.00 C ATOM 966 OG SER A 69 -14.508 2.676 -3.193 1.00 0.00 O ATOM 0 H SER A 69 -10.658 1.786 -2.823 1.00 0.00 H new ATOM 0 HA SER A 69 -12.408 3.645 -4.283 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.062 1.245 -3.507 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.110 1.915 -1.888 1.00 0.00 H new ATOM 0 HG SER A 69 -15.176 2.006 -2.938 1.00 0.00 H new ATOM 972 N PRO A 70 -12.750 5.394 -2.515 1.00 0.00 N ATOM 973 CA PRO A 70 -12.769 6.534 -1.594 1.00 0.00 C ATOM 974 C PRO A 70 -13.518 6.224 -0.302 1.00 0.00 C ATOM 975 O PRO A 70 -14.643 5.724 -0.330 1.00 0.00 O ATOM 976 CB PRO A 70 -13.499 7.620 -2.387 1.00 0.00 C ATOM 977 CG PRO A 70 -14.350 6.874 -3.356 1.00 0.00 C ATOM 978 CD PRO A 70 -13.583 5.629 -3.707 1.00 0.00 C ATOM 0 HA PRO A 70 -11.765 6.819 -1.279 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.102 8.250 -1.733 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.796 8.276 -2.901 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.316 6.626 -2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.548 7.474 -4.244 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.249 4.789 -3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -12.975 5.770 -4.601 1.00 0.00 H new ATOM 986 N PHE A 71 -12.888 6.523 0.829 1.00 0.00 N ATOM 987 CA PHE A 71 -13.495 6.276 2.131 1.00 0.00 C ATOM 988 C PHE A 71 -13.501 4.784 2.454 1.00 0.00 C ATOM 989 O PHE A 71 -14.439 4.274 3.066 1.00 0.00 O ATOM 990 CB PHE A 71 -14.925 6.821 2.163 1.00 0.00 C ATOM 991 CG PHE A 71 -15.418 7.129 3.548 1.00 0.00 C ATOM 992 CD1 PHE A 71 -14.666 7.915 4.406 1.00 0.00 C ATOM 993 CD2 PHE A 71 -16.633 6.634 3.991 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.117 8.200 5.681 1.00 0.00 C ATOM 995 CE2 PHE A 71 -17.090 6.915 5.265 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.331 7.700 6.111 1.00 0.00 C ATOM 0 H PHE A 71 -11.957 6.937 0.870 1.00 0.00 H new ATOM 0 HA PHE A 71 -12.900 6.791 2.885 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -14.974 7.727 1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -15.593 6.094 1.701 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -13.717 8.309 4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.231 6.021 3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -14.521 8.813 6.341 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -18.039 6.521 5.598 1.00 0.00 H new ATOM 0 HZ PHE A 71 -16.686 7.922 7.106 1.00 0.00 H new ATOM 1006 N SER A 72 -12.447 4.090 2.035 1.00 0.00 N ATOM 1007 CA SER A 72 -12.332 2.657 2.275 1.00 0.00 C ATOM 1008 C SER A 72 -11.092 2.343 3.107 1.00 0.00 C ATOM 1009 O SER A 72 -10.292 3.229 3.406 1.00 0.00 O ATOM 1010 CB SER A 72 -12.274 1.899 0.947 1.00 0.00 C ATOM 1011 OG SER A 72 -11.090 2.209 0.234 1.00 0.00 O ATOM 0 H SER A 72 -11.661 4.497 1.528 1.00 0.00 H new ATOM 0 HA SER A 72 -13.213 2.335 2.831 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.319 0.826 1.135 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.144 2.153 0.341 1.00 0.00 H new ATOM 0 HG SER A 72 -11.318 2.706 -0.579 1.00 0.00 H new ATOM 1017 N GLU A 73 -10.941 1.075 3.477 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.799 0.644 4.275 1.00 0.00 C ATOM 1019 C GLU A 73 -9.023 -0.461 3.564 1.00 0.00 C ATOM 1020 O GLU A 73 -9.613 -1.365 2.971 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.264 0.154 5.648 1.00 0.00 C ATOM 1022 CG GLU A 73 -9.201 0.268 6.727 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.789 0.295 8.125 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -10.894 -0.254 8.315 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -9.143 0.867 9.028 1.00 0.00 O ATOM 0 H GLU A 73 -11.594 0.329 3.237 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.138 1.500 4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.140 0.727 5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.576 -0.887 5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.512 -0.572 6.643 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.619 1.175 6.564 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.699 -0.381 3.627 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.842 -1.371 2.986 1.00 0.00 C ATOM 1034 C TYR A 74 -5.556 -1.575 3.781 1.00 0.00 C ATOM 1035 O TYR A 74 -5.080 -0.663 4.457 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.509 -0.941 1.557 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.625 -1.199 0.571 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.707 -0.332 0.473 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.599 -2.310 -0.263 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.730 -0.564 -0.426 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -8.617 -2.549 -1.166 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.680 -1.674 -1.244 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.696 -1.910 -2.141 1.00 0.00 O ATOM 0 H TYR A 74 -7.196 0.359 4.116 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.383 -2.317 2.956 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.271 0.123 1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.615 -1.469 1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.749 0.538 1.111 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.769 -2.998 -0.204 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.564 0.119 -0.488 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.580 -3.417 -1.808 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.507 -2.732 -2.641 1.00 0.00 H new ATOM 1053 N ALA A 75 -4.999 -2.778 3.695 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.766 -3.102 4.403 1.00 0.00 C ATOM 1055 C ALA A 75 -2.574 -3.117 3.452 1.00 0.00 C ATOM 1056 O ALA A 75 -2.494 -3.956 2.555 1.00 0.00 O ATOM 1057 CB ALA A 75 -3.899 -4.444 5.107 1.00 0.00 C ATOM 0 H ALA A 75 -5.382 -3.545 3.142 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.591 -2.328 5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.971 -4.673 5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.719 -4.399 5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.102 -5.222 4.371 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.651 -2.183 3.653 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.463 -2.088 2.812 1.00 0.00 C ATOM 1065 C PHE A 76 0.720 -2.802 3.460 1.00 0.00 C ATOM 1066 O PHE A 76 0.804 -2.904 4.684 1.00 0.00 O ATOM 1067 CB PHE A 76 -0.110 -0.622 2.555 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.207 0.149 1.878 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -1.341 0.121 0.499 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -2.103 0.901 2.620 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -2.349 0.829 -0.128 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -3.113 1.611 1.999 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.236 1.576 0.623 1.00 0.00 C ATOM 0 H PHE A 76 -1.702 -1.481 4.391 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.682 -2.574 1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.128 -0.142 3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.789 -0.575 1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.650 -0.461 -0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.011 0.933 3.696 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.443 0.798 -1.203 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.806 2.193 2.589 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.024 2.131 0.136 1.00 0.00 H new ATOM 1083 N ARG A 77 1.632 -3.296 2.628 1.00 0.00 N ATOM 1084 CA ARG A 77 2.810 -4.002 3.119 1.00 0.00 C ATOM 1085 C ARG A 77 3.884 -4.082 2.038 1.00 0.00 C ATOM 1086 O ARG A 77 3.615 -4.491 0.909 1.00 0.00 O ATOM 1087 CB ARG A 77 2.431 -5.410 3.581 1.00 0.00 C ATOM 1088 CG ARG A 77 2.044 -6.341 2.444 1.00 0.00 C ATOM 1089 CD ARG A 77 1.362 -7.598 2.960 1.00 0.00 C ATOM 1090 NE ARG A 77 0.130 -7.295 3.683 1.00 0.00 N ATOM 1091 CZ ARG A 77 -0.665 -8.223 4.204 1.00 0.00 C ATOM 1092 NH1 ARG A 77 -0.357 -9.507 4.083 1.00 0.00 N ATOM 1093 NH2 ARG A 77 -1.769 -7.868 4.849 1.00 0.00 N ATOM 0 H ARG A 77 1.578 -3.220 1.612 1.00 0.00 H new ATOM 0 HA ARG A 77 3.211 -3.445 3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.271 -5.843 4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.599 -5.341 4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.377 -5.820 1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.934 -6.615 1.878 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.138 -8.258 2.122 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.045 -8.137 3.617 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.135 -6.316 3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.492 -9.784 3.589 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.969 -10.218 4.484 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.008 -6.881 4.945 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.378 -8.582 5.248 1.00 0.00 H new ATOM 1107 N VAL A 78 5.103 -3.688 2.393 1.00 0.00 N ATOM 1108 CA VAL A 78 6.219 -3.716 1.455 1.00 0.00 C ATOM 1109 C VAL A 78 7.248 -4.767 1.855 1.00 0.00 C ATOM 1110 O VAL A 78 7.358 -5.129 3.027 1.00 0.00 O ATOM 1111 CB VAL A 78 6.912 -2.343 1.366 1.00 0.00 C ATOM 1112 CG1 VAL A 78 7.979 -2.352 0.282 1.00 0.00 C ATOM 1113 CG2 VAL A 78 5.889 -1.246 1.109 1.00 0.00 C ATOM 0 H VAL A 78 5.343 -3.346 3.323 1.00 0.00 H new ATOM 0 HA VAL A 78 5.805 -3.970 0.479 1.00 0.00 H new ATOM 0 HB VAL A 78 7.399 -2.139 2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.457 -1.374 0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.727 -3.111 0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.519 -2.578 -0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.396 -0.283 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.372 -1.443 0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.165 -1.225 1.924 1.00 0.00 H new ATOM 1123 N LEU A 79 8.001 -5.254 0.875 1.00 0.00 N ATOM 1124 CA LEU A 79 9.023 -6.264 1.124 1.00 0.00 C ATOM 1125 C LEU A 79 10.178 -6.125 0.138 1.00 0.00 C ATOM 1126 O LEU A 79 9.992 -5.677 -0.993 1.00 0.00 O ATOM 1127 CB LEU A 79 8.418 -7.666 1.023 1.00 0.00 C ATOM 1128 CG LEU A 79 7.559 -7.939 -0.212 1.00 0.00 C ATOM 1129 CD1 LEU A 79 7.546 -9.425 -0.535 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.143 -7.425 -0.001 1.00 0.00 C ATOM 0 H LEU A 79 7.923 -4.965 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 79 9.410 -6.113 2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.230 -8.393 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.810 -7.842 1.910 1.00 0.00 H new ATOM 0 HG LEU A 79 7.994 -7.408 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.930 -9.600 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.563 -9.764 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.135 -9.977 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.546 -7.628 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.698 -7.928 0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.169 -6.351 0.181 1.00 0.00 H new ATOM 1142 N ALA A 80 11.372 -6.514 0.574 1.00 0.00 N ATOM 1143 CA ALA A 80 12.557 -6.436 -0.271 1.00 0.00 C ATOM 1144 C ALA A 80 12.658 -7.651 -1.187 1.00 0.00 C ATOM 1145 O ALA A 80 12.178 -8.734 -0.854 1.00 0.00 O ATOM 1146 CB ALA A 80 13.809 -6.312 0.585 1.00 0.00 C ATOM 0 H ALA A 80 11.544 -6.886 1.508 1.00 0.00 H new ATOM 0 HA ALA A 80 12.469 -5.548 -0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.686 -6.255 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.746 -5.410 1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.893 -7.183 1.235 1.00 0.00 H new ATOM 1152 N VAL A 81 13.285 -7.463 -2.344 1.00 0.00 N ATOM 1153 CA VAL A 81 13.450 -8.544 -3.308 1.00 0.00 C ATOM 1154 C VAL A 81 14.766 -8.409 -4.067 1.00 0.00 C ATOM 1155 O VAL A 81 15.039 -7.375 -4.675 1.00 0.00 O ATOM 1156 CB VAL A 81 12.288 -8.576 -4.319 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.328 -9.857 -5.139 1.00 0.00 C ATOM 1158 CG2 VAL A 81 10.954 -8.433 -3.602 1.00 0.00 C ATOM 0 H VAL A 81 13.687 -6.572 -2.636 1.00 0.00 H new ATOM 0 HA VAL A 81 13.455 -9.475 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 81 12.400 -7.733 -5.001 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.500 -9.862 -5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.271 -9.912 -5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.242 -10.717 -4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.144 -8.458 -4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.831 -9.254 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.929 -7.485 -3.065 1.00 0.00 H new ATOM 1168 N ASN A 82 15.577 -9.461 -4.026 1.00 0.00 N ATOM 1169 CA ASN A 82 16.865 -9.459 -4.710 1.00 0.00 C ATOM 1170 C ASN A 82 17.123 -10.802 -5.387 1.00 0.00 C ATOM 1171 O ASN A 82 16.279 -11.698 -5.353 1.00 0.00 O ATOM 1172 CB ASN A 82 17.990 -9.150 -3.720 1.00 0.00 C ATOM 1173 CG ASN A 82 18.540 -10.400 -3.060 1.00 0.00 C ATOM 1174 OD1 ASN A 82 19.463 -11.032 -3.573 1.00 0.00 O ATOM 1175 ND2 ASN A 82 17.971 -10.762 -1.916 1.00 0.00 N ATOM 0 H ASN A 82 15.365 -10.325 -3.527 1.00 0.00 H new ATOM 0 HA ASN A 82 16.841 -8.684 -5.476 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.796 -8.633 -4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.618 -8.471 -2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.297 -11.595 -1.425 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.208 -10.207 -1.528 1.00 0.00 H new ATOM 1182 N SER A 83 18.295 -10.934 -6.000 1.00 0.00 N ATOM 1183 CA SER A 83 18.663 -12.166 -6.688 1.00 0.00 C ATOM 1184 C SER A 83 18.150 -13.386 -5.930 1.00 0.00 C ATOM 1185 O SER A 83 17.679 -14.352 -6.532 1.00 0.00 O ATOM 1186 CB SER A 83 20.182 -12.252 -6.847 1.00 0.00 C ATOM 1187 OG SER A 83 20.643 -11.348 -7.836 1.00 0.00 O ATOM 0 H SER A 83 19.006 -10.203 -6.034 1.00 0.00 H new ATOM 0 HA SER A 83 18.201 -12.153 -7.675 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.664 -12.031 -5.895 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.465 -13.269 -7.119 1.00 0.00 H new ATOM 0 HG SER A 83 21.617 -11.421 -7.917 1.00 0.00 H new ATOM 1193 N ILE A 84 18.244 -13.334 -4.605 1.00 0.00 N ATOM 1194 CA ILE A 84 17.789 -14.434 -3.764 1.00 0.00 C ATOM 1195 C ILE A 84 16.284 -14.643 -3.899 1.00 0.00 C ATOM 1196 O ILE A 84 15.823 -15.752 -4.167 1.00 0.00 O ATOM 1197 CB ILE A 84 18.130 -14.188 -2.283 1.00 0.00 C ATOM 1198 CG1 ILE A 84 19.623 -13.893 -2.123 1.00 0.00 C ATOM 1199 CG2 ILE A 84 17.730 -15.390 -1.440 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.510 -15.078 -2.432 1.00 0.00 C ATOM 0 H ILE A 84 18.631 -12.542 -4.091 1.00 0.00 H new ATOM 0 HA ILE A 84 18.310 -15.329 -4.105 1.00 0.00 H new ATOM 0 HB ILE A 84 17.568 -13.321 -1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 84 19.894 -13.066 -2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 84 19.813 -13.564 -1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 84 17.978 -15.200 -0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.657 -15.559 -1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.268 -16.272 -1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.554 -14.796 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.267 -15.900 -1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 84 20.349 -15.394 -3.463 1.00 0.00 H new ATOM 1212 N GLY A 85 15.524 -13.568 -3.714 1.00 0.00 N ATOM 1213 CA GLY A 85 14.079 -13.655 -3.821 1.00 0.00 C ATOM 1214 C GLY A 85 13.371 -12.630 -2.957 1.00 0.00 C ATOM 1215 O GLY A 85 14.008 -11.746 -2.383 1.00 0.00 O ATOM 0 H GLY A 85 15.883 -12.639 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.786 -13.514 -4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.756 -14.655 -3.532 1.00 0.00 H new ATOM 1219 N ARG A 86 12.051 -12.747 -2.864 1.00 0.00 N ATOM 1220 CA ARG A 86 11.256 -11.821 -2.066 1.00 0.00 C ATOM 1221 C ARG A 86 11.202 -12.268 -0.608 1.00 0.00 C ATOM 1222 O ARG A 86 10.687 -13.340 -0.295 1.00 0.00 O ATOM 1223 CB ARG A 86 9.838 -11.716 -2.631 1.00 0.00 C ATOM 1224 CG ARG A 86 9.240 -13.055 -3.031 1.00 0.00 C ATOM 1225 CD ARG A 86 7.720 -13.017 -3.003 1.00 0.00 C ATOM 1226 NE ARG A 86 7.136 -14.337 -3.226 1.00 0.00 N ATOM 1227 CZ ARG A 86 5.855 -14.619 -3.014 1.00 0.00 C ATOM 1228 NH1 ARG A 86 5.030 -13.679 -2.576 1.00 0.00 N ATOM 1229 NH2 ARG A 86 5.398 -15.844 -3.240 1.00 0.00 N ATOM 0 H ARG A 86 11.509 -13.474 -3.331 1.00 0.00 H new ATOM 0 HA ARG A 86 11.731 -10.841 -2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.194 -11.248 -1.887 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.850 -11.059 -3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.580 -13.322 -4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.598 -13.831 -2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.385 -12.630 -2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.360 -12.328 -3.767 1.00 0.00 H new ATOM 0 HE ARG A 86 7.745 -15.083 -3.563 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.378 -12.736 -2.401 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.047 -13.898 -2.414 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.030 -16.570 -3.577 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.414 -16.060 -3.077 1.00 0.00 H new ATOM 1243 N GLY A 87 11.740 -11.437 0.280 1.00 0.00 N ATOM 1244 CA GLY A 87 11.744 -11.764 1.694 1.00 0.00 C ATOM 1245 C GLY A 87 10.366 -11.659 2.317 1.00 0.00 C ATOM 1246 O GLY A 87 9.358 -11.513 1.626 1.00 0.00 O ATOM 0 H GLY A 87 12.173 -10.544 0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.124 -12.777 1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.428 -11.095 2.217 1.00 0.00 H new ATOM 1250 N PRO A 88 10.311 -11.736 3.655 1.00 0.00 N ATOM 1251 CA PRO A 88 9.051 -11.652 4.401 1.00 0.00 C ATOM 1252 C PRO A 88 8.445 -10.254 4.358 1.00 0.00 C ATOM 1253 O PRO A 88 9.150 -9.246 4.295 1.00 0.00 O ATOM 1254 CB PRO A 88 9.461 -12.014 5.831 1.00 0.00 C ATOM 1255 CG PRO A 88 10.905 -11.658 5.912 1.00 0.00 C ATOM 1256 CD PRO A 88 11.472 -11.911 4.543 1.00 0.00 C ATOM 0 HA PRO A 88 8.285 -12.306 3.984 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.875 -11.459 6.563 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.302 -13.073 6.032 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.034 -10.615 6.201 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.414 -12.262 6.663 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.271 -11.209 4.303 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.893 -12.913 4.461 1.00 0.00 H new ATOM 1264 N PRO A 89 7.105 -10.188 4.394 1.00 0.00 N ATOM 1265 CA PRO A 89 6.374 -8.918 4.361 1.00 0.00 C ATOM 1266 C PRO A 89 6.546 -8.117 5.648 1.00 0.00 C ATOM 1267 O PRO A 89 6.505 -8.672 6.746 1.00 0.00 O ATOM 1268 CB PRO A 89 4.916 -9.352 4.192 1.00 0.00 C ATOM 1269 CG PRO A 89 4.863 -10.728 4.759 1.00 0.00 C ATOM 1270 CD PRO A 89 6.202 -11.348 4.469 1.00 0.00 C ATOM 0 HA PRO A 89 6.732 -8.262 3.568 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.239 -8.680 4.720 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.620 -9.344 3.143 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.670 -10.701 5.831 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.059 -11.306 4.305 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.503 -12.041 5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.191 -11.910 3.535 1.00 0.00 H new ATOM 1278 N SER A 90 6.737 -6.809 5.504 1.00 0.00 N ATOM 1279 CA SER A 90 6.918 -5.933 6.656 1.00 0.00 C ATOM 1280 C SER A 90 5.614 -5.779 7.432 1.00 0.00 C ATOM 1281 O SER A 90 4.541 -6.124 6.937 1.00 0.00 O ATOM 1282 CB SER A 90 7.421 -4.560 6.204 1.00 0.00 C ATOM 1283 OG SER A 90 7.504 -3.662 7.297 1.00 0.00 O ATOM 0 H SER A 90 6.770 -6.333 4.602 1.00 0.00 H new ATOM 0 HA SER A 90 7.660 -6.386 7.313 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.401 -4.663 5.739 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.750 -4.155 5.446 1.00 0.00 H new ATOM 0 HG SER A 90 8.425 -3.636 7.630 1.00 0.00 H new ATOM 1289 N GLU A 91 5.716 -5.259 8.651 1.00 0.00 N ATOM 1290 CA GLU A 91 4.545 -5.061 9.497 1.00 0.00 C ATOM 1291 C GLU A 91 3.417 -4.393 8.716 1.00 0.00 C ATOM 1292 O GLU A 91 3.376 -3.170 8.587 1.00 0.00 O ATOM 1293 CB GLU A 91 4.907 -4.212 10.717 1.00 0.00 C ATOM 1294 CG GLU A 91 5.688 -2.955 10.374 1.00 0.00 C ATOM 1295 CD GLU A 91 6.442 -2.393 11.564 1.00 0.00 C ATOM 1296 OE1 GLU A 91 5.783 -1.963 12.534 1.00 0.00 O ATOM 1297 OE2 GLU A 91 7.690 -2.383 11.525 1.00 0.00 O ATOM 0 H GLU A 91 6.597 -4.967 9.075 1.00 0.00 H new ATOM 0 HA GLU A 91 4.202 -6.039 9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.992 -3.930 11.237 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.494 -4.817 11.409 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.394 -3.177 9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.002 -2.198 9.993 1.00 0.00 H new ATOM 1304 N ALA A 92 2.503 -5.205 8.195 1.00 0.00 N ATOM 1305 CA ALA A 92 1.374 -4.694 7.428 1.00 0.00 C ATOM 1306 C ALA A 92 0.703 -3.529 8.149 1.00 0.00 C ATOM 1307 O ALA A 92 0.418 -3.607 9.344 1.00 0.00 O ATOM 1308 CB ALA A 92 0.368 -5.805 7.166 1.00 0.00 C ATOM 0 H ALA A 92 2.523 -6.220 8.290 1.00 0.00 H new ATOM 0 HA ALA A 92 1.751 -4.328 6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.470 -5.409 6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.848 -6.605 6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.004 -6.198 8.115 1.00 0.00 H new ATOM 1314 N VAL A 93 0.454 -2.450 7.414 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.183 -1.268 7.983 1.00 0.00 C ATOM 1316 C VAL A 93 -1.520 -0.986 7.307 1.00 0.00 C ATOM 1317 O VAL A 93 -1.614 -0.963 6.080 1.00 0.00 O ATOM 1318 CB VAL A 93 0.718 -0.026 7.853 1.00 0.00 C ATOM 1319 CG1 VAL A 93 2.089 -0.295 8.454 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.839 0.393 6.395 1.00 0.00 C ATOM 0 H VAL A 93 0.684 -2.370 6.423 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.350 -1.476 9.040 1.00 0.00 H new ATOM 0 HB VAL A 93 0.260 0.794 8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.711 0.594 8.353 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.981 -0.544 9.510 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.558 -1.128 7.931 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.479 1.272 6.321 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.274 -0.422 5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.149 0.630 6.001 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.552 -0.771 8.117 1.00 0.00 N ATOM 1331 CA ARG A 94 -3.885 -0.491 7.597 1.00 0.00 C ATOM 1332 C ARG A 94 -4.131 1.013 7.512 1.00 0.00 C ATOM 1333 O ARG A 94 -4.037 1.724 8.512 1.00 0.00 O ATOM 1334 CB ARG A 94 -4.949 -1.143 8.482 1.00 0.00 C ATOM 1335 CG ARG A 94 -5.227 -2.595 8.130 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.471 -3.111 8.836 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.520 -4.571 8.863 1.00 0.00 N ATOM 1338 CZ ARG A 94 -7.564 -5.263 9.303 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -8.641 -4.632 9.750 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -7.533 -6.590 9.296 1.00 0.00 N ATOM 0 H ARG A 94 -2.490 -0.785 9.135 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.951 -0.910 6.593 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.630 -1.085 9.523 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.875 -0.574 8.401 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.353 -2.691 7.052 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.369 -3.208 8.407 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.493 -2.729 9.857 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.359 -2.728 8.333 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.707 -5.087 8.525 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.669 -3.612 9.756 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.442 -5.166 10.087 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.706 -7.079 8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.336 -7.121 9.634 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.446 1.490 6.312 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.706 2.908 6.098 1.00 0.00 C ATOM 1356 C ALA A 95 -6.008 3.117 5.332 1.00 0.00 C ATOM 1357 O ALA A 95 -6.225 2.511 4.282 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.544 3.551 5.355 1.00 0.00 C ATOM 0 H ALA A 95 -4.527 0.915 5.473 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.808 3.385 7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.751 4.610 5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.632 3.441 5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.415 3.063 4.389 1.00 0.00 H new ATOM 1364 N ARG A 96 -6.870 3.977 5.863 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.151 4.265 5.230 1.00 0.00 C ATOM 1366 C ARG A 96 -8.033 5.450 4.276 1.00 0.00 C ATOM 1367 O ARG A 96 -7.616 6.540 4.671 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.215 4.554 6.290 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.636 4.297 5.814 1.00 0.00 C ATOM 1370 CD ARG A 96 -11.657 4.695 6.868 1.00 0.00 C ATOM 1371 NE ARG A 96 -12.875 3.894 6.780 1.00 0.00 N ATOM 1372 CZ ARG A 96 -13.704 3.702 7.800 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -13.447 4.250 8.979 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -14.793 2.961 7.640 1.00 0.00 N ATOM 0 H ARG A 96 -6.704 4.487 6.731 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.449 3.387 4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.018 3.938 7.167 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.129 5.594 6.605 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.821 4.857 4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.754 3.241 5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.218 4.580 7.859 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.907 5.749 6.750 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.102 3.458 5.886 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.611 4.821 9.105 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.085 4.101 9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.994 2.539 6.734 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.429 2.814 8.423 1.00 0.00 H new ATOM 1388 N THR A 97 -8.401 5.230 3.018 1.00 0.00 N ATOM 1389 CA THR A 97 -8.335 6.278 2.008 1.00 0.00 C ATOM 1390 C THR A 97 -9.306 7.409 2.324 1.00 0.00 C ATOM 1391 O THR A 97 -10.294 7.213 3.031 1.00 0.00 O ATOM 1392 CB THR A 97 -8.647 5.726 0.604 1.00 0.00 C ATOM 1393 OG1 THR A 97 -9.985 5.217 0.564 1.00 0.00 O ATOM 1394 CG2 THR A 97 -7.669 4.624 0.226 1.00 0.00 C ATOM 0 H THR A 97 -8.748 4.335 2.674 1.00 0.00 H new ATOM 0 HA THR A 97 -7.316 6.664 2.020 1.00 0.00 H new ATOM 0 HB THR A 97 -8.547 6.541 -0.113 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.187 4.899 -0.341 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.909 4.250 -0.769 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.654 5.021 0.229 1.00 0.00 H new ATOM 0 HG23 THR A 97 -7.742 3.810 0.947 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.020 8.594 1.794 1.00 0.00 N ATOM 1403 CA GLY A 98 -9.880 9.740 2.031 1.00 0.00 C ATOM 1404 C GLY A 98 -11.211 9.623 1.317 1.00 0.00 C ATOM 1405 O GLY A 98 -11.395 8.747 0.473 1.00 0.00 O ATOM 0 H GLY A 98 -8.209 8.782 1.205 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.054 9.845 3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.372 10.646 1.700 1.00 0.00 H new