USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 504 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 46 ASN : amide:sc= 0.0192 X(o=0.037,f=0) USER MOD Set 1.2: A 47 SER OG : rot -89:sc= 0.0178 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 81:sc= 0.231 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 59 SER OG : rot 170:sc= 0.27 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -29:sc= 0.0127 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.626) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 77:sc= 0.257 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N PHE A 38 1.394 -26.452 1.590 1.00 0.00 N ATOM 88 CA PHE A 38 0.276 -25.795 2.280 1.00 0.00 C ATOM 89 C PHE A 38 0.696 -24.959 3.509 1.00 0.00 C ATOM 90 O PHE A 38 -0.099 -24.156 3.995 1.00 0.00 O ATOM 91 CB PHE A 38 -0.761 -26.856 2.664 1.00 0.00 C ATOM 92 CG PHE A 38 -0.196 -27.978 3.517 1.00 0.00 C ATOM 93 CD1 PHE A 38 0.140 -27.744 4.864 1.00 0.00 C ATOM 94 CD2 PHE A 38 0.051 -29.242 2.946 1.00 0.00 C ATOM 95 CE1 PHE A 38 0.747 -28.753 5.629 1.00 0.00 C ATOM 96 CE2 PHE A 38 0.636 -30.260 3.718 1.00 0.00 C ATOM 97 CZ PHE A 38 0.993 -30.014 5.057 1.00 0.00 C ATOM 0 HA PHE A 38 -0.154 -25.074 1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.577 -26.376 3.204 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.187 -27.281 1.755 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.070 -26.784 5.311 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.209 -29.429 1.915 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.024 -28.561 6.655 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.812 -31.233 3.283 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.456 -30.793 5.645 1.00 0.00 H new ATOM 107 N ASP A 39 1.923 -25.134 4.023 1.00 0.00 N ATOM 108 CA ASP A 39 2.432 -24.437 5.214 1.00 0.00 C ATOM 109 C ASP A 39 2.387 -22.912 5.055 1.00 0.00 C ATOM 110 O ASP A 39 1.933 -22.212 5.963 1.00 0.00 O ATOM 111 CB ASP A 39 3.865 -24.905 5.536 1.00 0.00 C ATOM 112 CG ASP A 39 3.930 -25.791 6.792 1.00 0.00 C ATOM 113 OD1 ASP A 39 3.314 -25.431 7.825 1.00 0.00 O ATOM 114 OD2 ASP A 39 4.587 -26.850 6.701 1.00 0.00 O ATOM 0 H ASP A 39 2.602 -25.776 3.615 1.00 0.00 H new ATOM 0 HA ASP A 39 1.777 -24.693 6.047 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.262 -25.458 4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.505 -24.034 5.677 1.00 0.00 H new ATOM 119 N GLU A 40 2.792 -22.406 3.879 1.00 0.00 N ATOM 120 CA GLU A 40 2.660 -20.987 3.549 1.00 0.00 C ATOM 121 C GLU A 40 1.224 -20.496 3.755 1.00 0.00 C ATOM 122 O GLU A 40 1.042 -19.447 4.354 1.00 0.00 O ATOM 123 CB GLU A 40 3.156 -20.667 2.126 1.00 0.00 C ATOM 124 CG GLU A 40 2.533 -21.536 1.018 1.00 0.00 C ATOM 125 CD GLU A 40 2.236 -20.807 -0.300 1.00 0.00 C ATOM 126 OE1 GLU A 40 2.916 -19.798 -0.585 1.00 0.00 O ATOM 127 OE2 GLU A 40 1.347 -21.288 -1.037 1.00 0.00 O ATOM 0 H GLU A 40 3.216 -22.967 3.140 1.00 0.00 H new ATOM 0 HA GLU A 40 3.305 -20.445 4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.946 -19.620 1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.239 -20.787 2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.206 -22.368 0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.604 -21.964 1.394 1.00 0.00 H new ATOM 134 N LEU A 41 0.212 -21.267 3.335 1.00 0.00 N ATOM 135 CA LEU A 41 -1.208 -20.911 3.404 1.00 0.00 C ATOM 136 C LEU A 41 -1.660 -20.730 4.851 1.00 0.00 C ATOM 137 O LEU A 41 -2.320 -19.742 5.173 1.00 0.00 O ATOM 138 CB LEU A 41 -2.089 -21.982 2.730 1.00 0.00 C ATOM 139 CG LEU A 41 -1.623 -22.466 1.345 1.00 0.00 C ATOM 140 CD1 LEU A 41 -2.543 -23.587 0.846 1.00 0.00 C ATOM 141 CD2 LEU A 41 -1.615 -21.327 0.326 1.00 0.00 C ATOM 0 H LEU A 41 0.367 -22.187 2.924 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.325 -19.968 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.148 -22.845 3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.099 -21.584 2.633 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.604 -22.839 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.207 -23.924 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.513 -24.421 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.564 -23.213 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.281 -21.705 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.621 -20.920 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.937 -20.542 0.663 1.00 0.00 H new ATOM 153 N GLN A 42 -1.291 -21.688 5.713 1.00 0.00 N ATOM 154 CA GLN A 42 -1.568 -21.643 7.146 1.00 0.00 C ATOM 155 C GLN A 42 -0.957 -20.375 7.753 1.00 0.00 C ATOM 156 O GLN A 42 -1.695 -19.543 8.274 1.00 0.00 O ATOM 157 CB GLN A 42 -1.048 -22.914 7.846 1.00 0.00 C ATOM 158 CG GLN A 42 -1.690 -24.223 7.354 1.00 0.00 C ATOM 159 CD GLN A 42 -3.119 -24.403 7.855 1.00 0.00 C ATOM 160 OE1 GLN A 42 -3.358 -24.823 8.975 1.00 0.00 O ATOM 161 NE2 GLN A 42 -4.118 -24.124 7.042 1.00 0.00 N ATOM 0 H GLN A 42 -0.785 -22.525 5.425 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.647 -21.610 7.299 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.031 -22.977 7.702 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.222 -22.820 8.918 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.687 -24.237 6.264 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.084 -25.067 7.685 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.929 -23.772 6.103 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.080 -24.260 7.351 1.00 0.00 H new ATOM 170 N GLY A 43 0.368 -20.190 7.644 1.00 0.00 N ATOM 171 CA GLY A 43 1.058 -19.000 8.163 1.00 0.00 C ATOM 172 C GLY A 43 0.572 -17.672 7.545 1.00 0.00 C ATOM 173 O GLY A 43 0.530 -16.639 8.222 1.00 0.00 O ATOM 0 H GLY A 43 0.990 -20.861 7.194 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.923 -18.957 9.244 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.127 -19.104 7.980 1.00 0.00 H new ATOM 177 N LEU A 44 0.149 -17.699 6.275 1.00 0.00 N ATOM 178 CA LEU A 44 -0.421 -16.563 5.551 1.00 0.00 C ATOM 179 C LEU A 44 -1.714 -16.065 6.206 1.00 0.00 C ATOM 180 O LEU A 44 -1.788 -14.936 6.704 1.00 0.00 O ATOM 181 CB LEU A 44 -0.676 -16.920 4.071 1.00 0.00 C ATOM 182 CG LEU A 44 0.527 -16.626 3.155 1.00 0.00 C ATOM 183 CD1 LEU A 44 0.413 -17.410 1.843 1.00 0.00 C ATOM 184 CD2 LEU A 44 0.619 -15.123 2.845 1.00 0.00 C ATOM 0 H LEU A 44 0.197 -18.544 5.706 1.00 0.00 H new ATOM 0 HA LEU A 44 0.311 -15.756 5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.929 -17.978 3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.541 -16.361 3.714 1.00 0.00 H new ATOM 0 HG LEU A 44 1.430 -16.938 3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.273 -17.188 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.387 -18.478 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.502 -17.122 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.475 -14.937 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.293 -14.798 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.740 -14.567 3.774 1.00 0.00 H new ATOM 196 N VAL A 45 -2.761 -16.894 6.176 1.00 0.00 N ATOM 197 CA VAL A 45 -4.062 -16.521 6.744 1.00 0.00 C ATOM 198 C VAL A 45 -4.001 -16.367 8.270 1.00 0.00 C ATOM 199 O VAL A 45 -4.778 -15.593 8.823 1.00 0.00 O ATOM 200 CB VAL A 45 -5.171 -17.499 6.316 1.00 0.00 C ATOM 201 CG1 VAL A 45 -5.233 -17.627 4.786 1.00 0.00 C ATOM 202 CG2 VAL A 45 -5.010 -18.882 6.963 1.00 0.00 C ATOM 0 H VAL A 45 -2.735 -17.827 5.765 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.317 -15.543 6.336 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.113 -17.081 6.671 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.025 -18.324 4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.440 -16.651 4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.278 -17.997 4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.816 -19.536 6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.051 -19.311 6.671 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.048 -18.783 8.048 1.00 0.00 H new ATOM 212 N ASN A 46 -3.046 -17.038 8.937 1.00 0.00 N ATOM 213 CA ASN A 46 -2.763 -16.894 10.364 1.00 0.00 C ATOM 214 C ASN A 46 -2.424 -15.440 10.726 1.00 0.00 C ATOM 215 O ASN A 46 -3.156 -14.830 11.504 1.00 0.00 O ATOM 216 CB ASN A 46 -1.654 -17.890 10.765 1.00 0.00 C ATOM 217 CG ASN A 46 -1.113 -17.725 12.178 1.00 0.00 C ATOM 218 OD1 ASN A 46 0.081 -17.598 12.406 1.00 0.00 O ATOM 219 ND2 ASN A 46 -1.968 -17.764 13.175 1.00 0.00 N ATOM 0 H ASN A 46 -2.435 -17.714 8.479 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.656 -17.137 10.940 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.042 -18.903 10.658 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.827 -17.790 10.063 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.635 -17.688 14.136 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.965 -17.870 12.988 1.00 0.00 H new ATOM 226 N SER A 47 -1.328 -14.891 10.185 1.00 0.00 N ATOM 227 CA SER A 47 -0.832 -13.567 10.590 1.00 0.00 C ATOM 228 C SER A 47 -0.087 -12.808 9.484 1.00 0.00 C ATOM 229 O SER A 47 0.901 -12.124 9.748 1.00 0.00 O ATOM 230 CB SER A 47 0.006 -13.692 11.871 1.00 0.00 C ATOM 231 OG SER A 47 1.114 -14.548 11.677 1.00 0.00 O ATOM 0 H SER A 47 -0.766 -15.344 9.464 1.00 0.00 H new ATOM 0 HA SER A 47 -1.708 -12.952 10.795 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.355 -12.706 12.178 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.616 -14.076 12.679 1.00 0.00 H new ATOM 0 HG SER A 47 0.855 -15.470 11.884 1.00 0.00 H new ATOM 237 N THR A 48 -0.586 -12.885 8.243 1.00 0.00 N ATOM 238 CA THR A 48 0.009 -12.209 7.075 1.00 0.00 C ATOM 239 C THR A 48 -1.037 -11.452 6.257 1.00 0.00 C ATOM 240 O THR A 48 -0.855 -10.268 5.982 1.00 0.00 O ATOM 241 CB THR A 48 0.754 -13.214 6.183 1.00 0.00 C ATOM 242 OG1 THR A 48 1.597 -14.053 6.948 1.00 0.00 O ATOM 243 CG2 THR A 48 1.592 -12.549 5.094 1.00 0.00 C ATOM 0 H THR A 48 -1.422 -13.423 8.016 1.00 0.00 H new ATOM 0 HA THR A 48 0.722 -11.479 7.458 1.00 0.00 H new ATOM 0 HB THR A 48 -0.027 -13.801 5.700 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.065 -14.771 7.351 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.091 -13.315 4.501 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.945 -11.955 4.449 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.339 -11.902 5.554 1.00 0.00 H new ATOM 251 N VAL A 49 -2.148 -12.109 5.888 1.00 0.00 N ATOM 252 CA VAL A 49 -3.263 -11.458 5.180 1.00 0.00 C ATOM 253 C VAL A 49 -4.094 -10.600 6.124 1.00 0.00 C ATOM 254 O VAL A 49 -4.332 -9.443 5.801 1.00 0.00 O ATOM 255 CB VAL A 49 -4.124 -12.486 4.417 1.00 0.00 C ATOM 256 CG1 VAL A 49 -5.585 -12.055 4.204 1.00 0.00 C ATOM 257 CG2 VAL A 49 -3.501 -12.713 3.035 1.00 0.00 C ATOM 0 H VAL A 49 -2.299 -13.101 6.071 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.836 -10.788 4.434 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.140 -13.386 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.119 -12.834 3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.062 -11.896 5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.611 -11.129 3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.098 -13.438 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.476 -11.771 2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.486 -13.092 3.151 1.00 0.00 H new ATOM 267 N THR A 50 -4.523 -11.132 7.278 1.00 0.00 N ATOM 268 CA THR A 50 -5.376 -10.413 8.244 1.00 0.00 C ATOM 269 C THR A 50 -4.830 -9.016 8.570 1.00 0.00 C ATOM 270 O THR A 50 -5.584 -8.046 8.573 1.00 0.00 O ATOM 271 CB THR A 50 -5.601 -11.263 9.509 1.00 0.00 C ATOM 272 OG1 THR A 50 -6.556 -10.659 10.351 1.00 0.00 O ATOM 273 CG2 THR A 50 -4.330 -11.494 10.331 1.00 0.00 C ATOM 0 H THR A 50 -4.288 -12.080 7.572 1.00 0.00 H new ATOM 0 HA THR A 50 -6.348 -10.254 7.777 1.00 0.00 H new ATOM 0 HB THR A 50 -5.949 -12.229 9.144 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.687 -11.214 11.148 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.567 -12.100 11.205 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.591 -12.012 9.720 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.926 -10.534 10.654 1.00 0.00 H new ATOM 281 N GLN A 51 -3.506 -8.897 8.727 1.00 0.00 N ATOM 282 CA GLN A 51 -2.814 -7.632 8.956 1.00 0.00 C ATOM 283 C GLN A 51 -2.927 -6.653 7.785 1.00 0.00 C ATOM 284 O GLN A 51 -3.041 -5.455 8.027 1.00 0.00 O ATOM 285 CB GLN A 51 -1.338 -7.890 9.286 1.00 0.00 C ATOM 286 CG GLN A 51 -1.151 -8.401 10.723 1.00 0.00 C ATOM 287 CD GLN A 51 0.290 -8.245 11.212 1.00 0.00 C ATOM 288 OE1 GLN A 51 1.249 -8.246 10.453 1.00 0.00 O ATOM 289 NE2 GLN A 51 0.487 -8.093 12.508 1.00 0.00 N ATOM 0 H GLN A 51 -2.876 -9.698 8.697 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.310 -7.159 9.803 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.932 -8.620 8.586 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.770 -6.969 9.152 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.819 -7.856 11.390 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.437 -9.451 10.773 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.307 -8.091 13.148 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.434 -7.977 12.870 1.00 0.00 H new ATOM 298 N ALA A 52 -2.941 -7.134 6.536 1.00 0.00 N ATOM 299 CA ALA A 52 -3.046 -6.297 5.343 1.00 0.00 C ATOM 300 C ALA A 52 -4.357 -5.494 5.328 1.00 0.00 C ATOM 301 O ALA A 52 -4.335 -4.294 5.049 1.00 0.00 O ATOM 302 CB ALA A 52 -2.918 -7.180 4.094 1.00 0.00 C ATOM 0 H ALA A 52 -2.879 -8.130 6.327 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.235 -5.569 5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.996 -6.560 3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.952 -7.685 4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.715 -7.923 4.090 1.00 0.00 H new ATOM 308 N ILE A 53 -5.481 -6.143 5.682 1.00 0.00 N ATOM 309 CA ILE A 53 -6.790 -5.486 5.801 1.00 0.00 C ATOM 310 C ILE A 53 -6.738 -4.391 6.869 1.00 0.00 C ATOM 311 O ILE A 53 -7.086 -3.247 6.588 1.00 0.00 O ATOM 312 CB ILE A 53 -7.933 -6.499 6.073 1.00 0.00 C ATOM 313 CG1 ILE A 53 -8.022 -7.564 4.951 1.00 0.00 C ATOM 314 CG2 ILE A 53 -9.285 -5.771 6.184 1.00 0.00 C ATOM 315 CD1 ILE A 53 -7.380 -8.893 5.355 1.00 0.00 C ATOM 0 H ILE A 53 -5.504 -7.141 5.894 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.018 -5.020 4.842 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.707 -6.998 7.015 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -9.068 -7.732 4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.532 -7.185 4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.075 -6.498 6.375 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.246 -5.054 7.004 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -9.493 -5.246 5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.469 -9.605 4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.326 -8.733 5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.887 -9.289 6.235 1.00 0.00 H new ATOM 327 N LEU A 54 -6.280 -4.727 8.082 1.00 0.00 N ATOM 328 CA LEU A 54 -6.209 -3.797 9.215 1.00 0.00 C ATOM 329 C LEU A 54 -5.299 -2.606 8.879 1.00 0.00 C ATOM 330 O LEU A 54 -5.720 -1.456 9.002 1.00 0.00 O ATOM 331 CB LEU A 54 -5.694 -4.510 10.483 1.00 0.00 C ATOM 332 CG LEU A 54 -6.406 -5.831 10.847 1.00 0.00 C ATOM 333 CD1 LEU A 54 -5.493 -6.751 11.673 1.00 0.00 C ATOM 334 CD2 LEU A 54 -7.717 -5.610 11.601 1.00 0.00 C ATOM 0 H LEU A 54 -5.944 -5.664 8.306 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.217 -3.429 9.409 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.631 -4.715 10.355 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.787 -3.825 11.326 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.642 -6.311 9.897 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.025 -7.672 11.912 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.598 -6.988 11.097 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.207 -6.247 12.596 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.172 -6.574 11.830 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.517 -5.074 12.529 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.398 -5.025 10.983 1.00 0.00 H new ATOM 346 N PHE A 55 -4.072 -2.884 8.425 1.00 0.00 N ATOM 347 CA PHE A 55 -3.097 -1.876 8.025 1.00 0.00 C ATOM 348 C PHE A 55 -3.701 -0.950 6.966 1.00 0.00 C ATOM 349 O PHE A 55 -3.778 0.257 7.185 1.00 0.00 O ATOM 350 CB PHE A 55 -1.807 -2.555 7.539 1.00 0.00 C ATOM 351 CG PHE A 55 -0.658 -1.587 7.335 1.00 0.00 C ATOM 352 CD1 PHE A 55 -0.536 -0.869 6.130 1.00 0.00 C ATOM 353 CD2 PHE A 55 0.281 -1.387 8.366 1.00 0.00 C ATOM 354 CE1 PHE A 55 0.513 0.052 5.960 1.00 0.00 C ATOM 355 CE2 PHE A 55 1.333 -0.470 8.193 1.00 0.00 C ATOM 356 CZ PHE A 55 1.448 0.250 6.990 1.00 0.00 C ATOM 0 H PHE A 55 -3.726 -3.838 8.325 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.835 -1.258 8.884 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.509 -3.314 8.263 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -2.008 -3.072 6.601 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.250 -1.026 5.335 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.193 -1.939 9.290 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.600 0.607 5.038 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.053 -0.319 8.984 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.255 0.955 6.858 1.00 0.00 H new ATOM 366 N GLY A 56 -4.190 -1.518 5.853 1.00 0.00 N ATOM 367 CA GLY A 56 -4.804 -0.767 4.762 1.00 0.00 C ATOM 368 C GLY A 56 -6.010 0.072 5.197 1.00 0.00 C ATOM 369 O GLY A 56 -6.132 1.209 4.748 1.00 0.00 O ATOM 0 H GLY A 56 -4.167 -2.525 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.056 -0.110 4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.118 -1.463 3.984 1.00 0.00 H new ATOM 373 N VAL A 57 -6.862 -0.446 6.095 1.00 0.00 N ATOM 374 CA VAL A 57 -7.983 0.295 6.698 1.00 0.00 C ATOM 375 C VAL A 57 -7.476 1.554 7.404 1.00 0.00 C ATOM 376 O VAL A 57 -7.856 2.666 7.025 1.00 0.00 O ATOM 377 CB VAL A 57 -8.798 -0.608 7.656 1.00 0.00 C ATOM 378 CG1 VAL A 57 -9.698 0.178 8.624 1.00 0.00 C ATOM 379 CG2 VAL A 57 -9.684 -1.587 6.874 1.00 0.00 C ATOM 0 H VAL A 57 -6.791 -1.407 6.429 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.656 0.608 5.900 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.051 -1.144 8.242 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.239 -0.518 9.265 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.084 0.835 9.240 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.410 0.775 8.055 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.245 -2.208 7.573 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.379 -1.028 6.247 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.059 -2.221 6.246 1.00 0.00 H new ATOM 389 N ARG A 58 -6.640 1.387 8.443 1.00 0.00 N ATOM 390 CA ARG A 58 -6.195 2.510 9.281 1.00 0.00 C ATOM 391 C ARG A 58 -5.362 3.499 8.468 1.00 0.00 C ATOM 392 O ARG A 58 -5.687 4.685 8.445 1.00 0.00 O ATOM 393 CB ARG A 58 -5.425 2.040 10.526 1.00 0.00 C ATOM 394 CG ARG A 58 -6.172 0.971 11.339 1.00 0.00 C ATOM 395 CD ARG A 58 -5.568 0.776 12.732 1.00 0.00 C ATOM 396 NE ARG A 58 -5.939 1.872 13.648 1.00 0.00 N ATOM 397 CZ ARG A 58 -5.780 1.892 14.968 1.00 0.00 C ATOM 398 NH1 ARG A 58 -5.214 0.892 15.606 1.00 0.00 N ATOM 399 NH2 ARG A 58 -6.186 2.921 15.672 1.00 0.00 N ATOM 0 H ARG A 58 -6.259 0.483 8.722 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.092 3.019 9.634 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.459 1.641 10.217 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.226 2.899 11.166 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.219 1.257 11.436 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.149 0.024 10.799 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.907 -0.174 13.146 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.482 0.720 12.653 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.361 2.699 13.225 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.885 0.077 15.088 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.103 0.931 16.619 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.628 3.714 15.207 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.060 2.928 16.684 1.00 0.00 H new ATOM 413 N SER A 59 -4.330 3.006 7.777 1.00 0.00 N ATOM 414 CA SER A 59 -3.441 3.808 6.932 1.00 0.00 C ATOM 415 C SER A 59 -4.203 4.530 5.817 1.00 0.00 C ATOM 416 O SER A 59 -3.904 5.687 5.523 1.00 0.00 O ATOM 417 CB SER A 59 -2.336 2.925 6.343 1.00 0.00 C ATOM 418 OG SER A 59 -1.528 2.441 7.399 1.00 0.00 O ATOM 0 H SER A 59 -4.084 2.016 7.790 1.00 0.00 H new ATOM 0 HA SER A 59 -2.991 4.575 7.562 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.772 2.093 5.790 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.733 3.496 5.637 1.00 0.00 H new ATOM 0 HG SER A 59 -0.921 1.752 7.057 1.00 0.00 H new ATOM 424 N GLY A 60 -5.219 3.881 5.237 1.00 0.00 N ATOM 425 CA GLY A 60 -6.077 4.456 4.213 1.00 0.00 C ATOM 426 C GLY A 60 -6.900 5.640 4.709 1.00 0.00 C ATOM 427 O GLY A 60 -6.779 6.745 4.177 1.00 0.00 O ATOM 0 H GLY A 60 -5.467 2.921 5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.462 4.777 3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.751 3.685 3.839 1.00 0.00 H new ATOM 431 N ALA A 61 -7.717 5.423 5.748 1.00 0.00 N ATOM 432 CA ALA A 61 -8.464 6.507 6.390 1.00 0.00 C ATOM 433 C ALA A 61 -7.536 7.632 6.882 1.00 0.00 C ATOM 434 O ALA A 61 -7.865 8.808 6.704 1.00 0.00 O ATOM 435 CB ALA A 61 -9.326 5.939 7.526 1.00 0.00 C ATOM 0 H ALA A 61 -7.876 4.504 6.161 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.122 6.960 5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.880 6.748 8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.026 5.208 7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.684 5.457 8.263 1.00 0.00 H new ATOM 441 N ALA A 62 -6.367 7.285 7.441 1.00 0.00 N ATOM 442 CA ALA A 62 -5.346 8.245 7.847 1.00 0.00 C ATOM 443 C ALA A 62 -4.842 9.090 6.665 1.00 0.00 C ATOM 444 O ALA A 62 -4.766 10.309 6.788 1.00 0.00 O ATOM 445 CB ALA A 62 -4.197 7.521 8.552 1.00 0.00 C ATOM 0 H ALA A 62 -6.107 6.316 7.623 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.801 8.943 8.550 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.440 8.245 8.851 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.578 7.008 9.435 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.754 6.793 7.872 1.00 0.00 H new ATOM 451 N ALA A 63 -4.535 8.480 5.513 1.00 0.00 N ATOM 452 CA ALA A 63 -4.160 9.214 4.306 1.00 0.00 C ATOM 453 C ALA A 63 -5.287 10.132 3.814 1.00 0.00 C ATOM 454 O ALA A 63 -5.027 11.301 3.538 1.00 0.00 O ATOM 455 CB ALA A 63 -3.688 8.237 3.224 1.00 0.00 C ATOM 0 H ALA A 63 -4.541 7.467 5.395 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.328 9.874 4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.411 8.793 2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.824 7.681 3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.493 7.542 2.985 1.00 0.00 H new ATOM 461 N LEU A 64 -6.533 9.643 3.759 1.00 0.00 N ATOM 462 CA LEU A 64 -7.689 10.455 3.372 1.00 0.00 C ATOM 463 C LEU A 64 -7.798 11.721 4.230 1.00 0.00 C ATOM 464 O LEU A 64 -7.839 12.817 3.667 1.00 0.00 O ATOM 465 CB LEU A 64 -8.961 9.586 3.386 1.00 0.00 C ATOM 466 CG LEU A 64 -10.279 10.390 3.295 1.00 0.00 C ATOM 467 CD1 LEU A 64 -11.264 9.727 2.329 1.00 0.00 C ATOM 468 CD2 LEU A 64 -10.959 10.522 4.666 1.00 0.00 C ATOM 0 H LEU A 64 -6.765 8.675 3.981 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.557 10.814 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.918 8.885 2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.973 8.993 4.301 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.012 11.381 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.181 10.314 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.819 9.674 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.494 8.720 2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.882 11.093 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.188 9.530 5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.290 11.037 5.356 1.00 0.00 H new ATOM 480 N THR A 65 -7.817 11.581 5.566 1.00 0.00 N ATOM 481 CA THR A 65 -7.927 12.733 6.474 1.00 0.00 C ATOM 482 C THR A 65 -6.736 13.684 6.322 1.00 0.00 C ATOM 483 O THR A 65 -6.930 14.898 6.321 1.00 0.00 O ATOM 484 CB THR A 65 -8.157 12.324 7.938 1.00 0.00 C ATOM 485 OG1 THR A 65 -8.397 13.474 8.709 1.00 0.00 O ATOM 486 CG2 THR A 65 -6.998 11.574 8.579 1.00 0.00 C ATOM 0 H THR A 65 -7.757 10.680 6.041 1.00 0.00 H new ATOM 0 HA THR A 65 -8.822 13.278 6.174 1.00 0.00 H new ATOM 0 HB THR A 65 -9.008 11.644 7.918 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.546 13.217 9.643 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.250 11.327 9.610 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.806 10.657 8.023 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.106 12.201 8.564 1.00 0.00 H new ATOM 494 N LEU A 66 -5.521 13.158 6.103 1.00 0.00 N ATOM 495 CA LEU A 66 -4.330 13.971 5.860 1.00 0.00 C ATOM 496 C LEU A 66 -4.465 14.793 4.567 1.00 0.00 C ATOM 497 O LEU A 66 -4.084 15.958 4.546 1.00 0.00 O ATOM 498 CB LEU A 66 -3.055 13.105 5.940 1.00 0.00 C ATOM 499 CG LEU A 66 -2.219 12.933 4.657 1.00 0.00 C ATOM 500 CD1 LEU A 66 -1.379 14.183 4.352 1.00 0.00 C ATOM 501 CD2 LEU A 66 -1.306 11.707 4.769 1.00 0.00 C ATOM 0 H LEU A 66 -5.342 12.154 6.090 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.233 14.713 6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.408 13.532 6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.346 12.113 6.285 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.918 12.787 3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.804 14.022 3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.038 15.041 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.698 14.375 5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.724 11.602 3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.631 11.832 5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.913 10.814 4.917 1.00 0.00 H new ATOM 513 N ILE A 67 -5.008 14.219 3.489 1.00 0.00 N ATOM 514 CA ILE A 67 -5.117 14.910 2.199 1.00 0.00 C ATOM 515 C ILE A 67 -6.114 16.066 2.320 1.00 0.00 C ATOM 516 O ILE A 67 -5.753 17.219 2.080 1.00 0.00 O ATOM 517 CB ILE A 67 -5.493 13.915 1.082 1.00 0.00 C ATOM 518 CG1 ILE A 67 -4.366 12.879 0.864 1.00 0.00 C ATOM 519 CG2 ILE A 67 -5.764 14.646 -0.242 1.00 0.00 C ATOM 520 CD1 ILE A 67 -4.885 11.548 0.306 1.00 0.00 C ATOM 0 H ILE A 67 -5.382 13.270 3.484 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.152 15.335 1.924 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.400 13.401 1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.626 13.292 0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.857 12.698 1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.027 13.920 -1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.588 15.347 -0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.870 15.190 -0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.051 10.859 0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.604 11.117 1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.370 11.721 -0.655 1.00 0.00 H new ATOM 532 N VAL A 68 -7.352 15.770 2.740 1.00 0.00 N ATOM 533 CA VAL A 68 -8.391 16.787 2.953 1.00 0.00 C ATOM 534 C VAL A 68 -7.924 17.882 3.911 1.00 0.00 C ATOM 535 O VAL A 68 -7.996 19.054 3.534 1.00 0.00 O ATOM 536 CB VAL A 68 -9.741 16.171 3.375 1.00 0.00 C ATOM 537 CG1 VAL A 68 -9.661 15.319 4.646 1.00 0.00 C ATOM 538 CG2 VAL A 68 -10.830 17.242 3.555 1.00 0.00 C ATOM 0 H VAL A 68 -7.661 14.819 2.942 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.567 17.265 1.989 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.009 15.510 2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.648 14.920 4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.965 14.495 4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.313 15.935 5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.764 16.765 3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.522 17.948 4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.977 17.773 2.615 1.00 0.00 H new ATOM 548 N VAL A 69 -7.406 17.524 5.100 1.00 0.00 N ATOM 549 CA VAL A 69 -6.900 18.513 6.062 1.00 0.00 C ATOM 550 C VAL A 69 -5.761 19.338 5.460 1.00 0.00 C ATOM 551 O VAL A 69 -5.737 20.550 5.649 1.00 0.00 O ATOM 552 CB VAL A 69 -6.513 17.889 7.421 1.00 0.00 C ATOM 553 CG1 VAL A 69 -5.153 17.196 7.410 1.00 0.00 C ATOM 554 CG2 VAL A 69 -6.462 18.943 8.530 1.00 0.00 C ATOM 0 H VAL A 69 -7.328 16.557 5.415 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.724 19.194 6.275 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.292 17.150 7.609 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.948 16.782 8.397 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.160 16.393 6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.379 17.918 7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.187 18.468 9.471 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.722 19.702 8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.441 19.411 8.633 1.00 0.00 H new ATOM 564 N TRP A 70 -4.843 18.718 4.704 1.00 0.00 N ATOM 565 CA TRP A 70 -3.732 19.426 4.079 1.00 0.00 C ATOM 566 C TRP A 70 -4.224 20.473 3.079 1.00 0.00 C ATOM 567 O TRP A 70 -3.664 21.564 3.067 1.00 0.00 O ATOM 568 CB TRP A 70 -2.749 18.438 3.437 1.00 0.00 C ATOM 569 CG TRP A 70 -1.534 19.057 2.819 1.00 0.00 C ATOM 570 CD1 TRP A 70 -0.298 19.076 3.365 1.00 0.00 C ATOM 571 CD2 TRP A 70 -1.424 19.771 1.552 1.00 0.00 C ATOM 572 NE1 TRP A 70 0.551 19.809 2.556 1.00 0.00 N ATOM 573 CE2 TRP A 70 -0.094 20.266 1.427 1.00 0.00 C ATOM 574 CE3 TRP A 70 -2.318 20.065 0.504 1.00 0.00 C ATOM 575 CZ2 TRP A 70 0.318 21.039 0.330 1.00 0.00 C ATOM 576 CZ3 TRP A 70 -1.929 20.854 -0.593 1.00 0.00 C ATOM 577 CH2 TRP A 70 -0.611 21.340 -0.682 1.00 0.00 C ATOM 0 H TRP A 70 -4.855 17.716 4.513 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.195 19.965 4.859 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.427 17.725 4.196 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.278 17.871 2.671 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -0.017 18.594 4.290 1.00 0.00 H new ATOM 0 HE1 TRP A 70 1.532 19.989 2.768 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.325 19.676 0.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 1.335 21.398 0.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.643 21.088 -1.369 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -0.313 21.944 -1.527 1.00 0.00 H new ATOM 588 N ILE A 71 -5.271 20.176 2.288 1.00 0.00 N ATOM 589 CA ILE A 71 -5.893 21.132 1.359 1.00 0.00 C ATOM 590 C ILE A 71 -6.574 22.274 2.123 1.00 0.00 C ATOM 591 O ILE A 71 -6.185 23.428 1.959 1.00 0.00 O ATOM 592 CB ILE A 71 -6.860 20.413 0.379 1.00 0.00 C ATOM 593 CG1 ILE A 71 -6.090 19.738 -0.789 1.00 0.00 C ATOM 594 CG2 ILE A 71 -7.909 21.366 -0.233 1.00 0.00 C ATOM 595 CD1 ILE A 71 -6.200 18.210 -0.826 1.00 0.00 C ATOM 0 H ILE A 71 -5.712 19.256 2.277 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.108 21.581 0.751 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.371 19.662 0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.462 20.139 -1.732 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.037 20.012 -0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -8.557 20.808 -0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.509 21.806 0.563 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.403 22.157 -0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.632 17.825 -1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.800 17.794 0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.246 17.923 -0.930 1.00 0.00 H new ATOM 607 N THR A 72 -7.594 21.968 2.939 1.00 0.00 N ATOM 608 CA THR A 72 -8.406 22.980 3.643 1.00 0.00 C ATOM 609 C THR A 72 -7.578 23.824 4.613 1.00 0.00 C ATOM 610 O THR A 72 -7.658 25.051 4.577 1.00 0.00 O ATOM 611 CB THR A 72 -9.615 22.342 4.354 1.00 0.00 C ATOM 612 OG1 THR A 72 -10.334 23.326 5.062 1.00 0.00 O ATOM 613 CG2 THR A 72 -9.254 21.228 5.339 1.00 0.00 C ATOM 0 H THR A 72 -7.882 21.009 3.132 1.00 0.00 H new ATOM 0 HA THR A 72 -8.785 23.657 2.878 1.00 0.00 H new ATOM 0 HB THR A 72 -10.209 21.895 3.557 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.101 22.912 5.509 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.164 20.835 5.794 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.738 20.427 4.809 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.603 21.627 6.117 1.00 0.00 H new ATOM 621 N SER A 73 -6.740 23.179 5.436 1.00 0.00 N ATOM 622 CA SER A 73 -5.836 23.855 6.369 1.00 0.00 C ATOM 623 C SER A 73 -4.626 24.476 5.663 1.00 0.00 C ATOM 624 O SER A 73 -3.928 25.296 6.257 1.00 0.00 O ATOM 625 CB SER A 73 -5.357 22.857 7.429 1.00 0.00 C ATOM 626 OG SER A 73 -4.917 23.537 8.582 1.00 0.00 O ATOM 0 H SER A 73 -6.672 22.162 5.471 1.00 0.00 H new ATOM 0 HA SER A 73 -6.393 24.668 6.836 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.167 22.176 7.688 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.546 22.250 7.026 1.00 0.00 H new ATOM 0 HG SER A 73 -4.579 24.422 8.331 1.00 0.00 H new ATOM 632 N ARG A 74 -4.386 24.109 4.393 1.00 0.00 N ATOM 633 CA ARG A 74 -3.245 24.519 3.572 1.00 0.00 C ATOM 634 C ARG A 74 -1.923 24.337 4.326 1.00 0.00 C ATOM 635 O ARG A 74 -1.185 25.293 4.566 1.00 0.00 O ATOM 636 CB ARG A 74 -3.500 25.939 3.048 1.00 0.00 C ATOM 637 CG ARG A 74 -2.658 26.251 1.807 1.00 0.00 C ATOM 638 CD ARG A 74 -3.266 25.617 0.544 1.00 0.00 C ATOM 639 NE ARG A 74 -2.402 25.811 -0.635 1.00 0.00 N ATOM 640 CZ ARG A 74 -2.157 26.951 -1.271 1.00 0.00 C ATOM 641 NH1 ARG A 74 -2.726 28.076 -0.900 1.00 0.00 N ATOM 642 NH2 ARG A 74 -1.327 26.980 -2.287 1.00 0.00 N ATOM 0 H ARG A 74 -5.018 23.486 3.890 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.143 23.873 2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.557 26.052 2.807 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.272 26.661 3.832 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.586 27.331 1.676 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.643 25.879 1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.420 24.551 0.710 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.246 26.055 0.353 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.942 24.978 -1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.370 28.085 -0.109 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.523 28.940 -1.403 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.865 26.123 -2.593 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.144 27.859 -2.771 1.00 0.00 H new ATOM 656 N SER A 75 -1.643 23.089 4.728 1.00 0.00 N ATOM 657 CA SER A 75 -0.440 22.768 5.510 1.00 0.00 C ATOM 658 C SER A 75 0.816 23.225 4.768 1.00 0.00 C ATOM 659 O SER A 75 0.888 23.079 3.550 1.00 0.00 O ATOM 660 CB SER A 75 -0.327 21.268 5.795 1.00 0.00 C ATOM 661 OG SER A 75 0.035 21.060 7.145 1.00 0.00 O ATOM 0 H SER A 75 -2.235 22.284 4.524 1.00 0.00 H new ATOM 0 HA SER A 75 -0.528 23.296 6.459 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.277 20.777 5.584 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.417 20.819 5.137 1.00 0.00 H new ATOM 0 HG SER A 75 0.104 20.098 7.321 1.00 0.00 H new ATOM 667 N ARG A 76 1.812 23.736 5.511 1.00 0.00 N ATOM 668 CA ARG A 76 3.033 24.343 4.955 1.00 0.00 C ATOM 669 C ARG A 76 3.654 23.457 3.879 1.00 0.00 C ATOM 670 O ARG A 76 3.655 23.800 2.702 1.00 0.00 O ATOM 671 CB ARG A 76 4.066 24.646 6.057 1.00 0.00 C ATOM 672 CG ARG A 76 3.833 25.963 6.803 1.00 0.00 C ATOM 673 CD ARG A 76 2.707 25.872 7.844 1.00 0.00 C ATOM 674 NE ARG A 76 2.887 26.862 8.923 1.00 0.00 N ATOM 675 CZ ARG A 76 3.803 26.826 9.889 1.00 0.00 C ATOM 676 NH1 ARG A 76 4.661 25.838 9.996 1.00 0.00 N ATOM 677 NH2 ARG A 76 3.884 27.796 10.767 1.00 0.00 N ATOM 0 H ARG A 76 1.791 23.739 6.531 1.00 0.00 H new ATOM 0 HA ARG A 76 2.739 25.287 4.495 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.059 23.829 6.778 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.060 24.668 5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.756 26.261 7.300 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.592 26.745 6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.746 26.034 7.357 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.684 24.869 8.269 1.00 0.00 H new ATOM 0 HE ARG A 76 2.245 27.654 8.930 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.638 25.068 9.327 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.350 25.840 10.748 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.242 28.587 10.714 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.589 27.760 11.503 1.00 0.00 H new ATOM 691 N LYS A 77 4.197 22.317 4.313 1.00 0.00 N ATOM 692 CA LYS A 77 4.832 21.300 3.481 1.00 0.00 C ATOM 693 C LYS A 77 4.506 19.927 4.058 1.00 0.00 C ATOM 694 O LYS A 77 4.063 19.803 5.198 1.00 0.00 O ATOM 695 CB LYS A 77 6.354 21.540 3.425 1.00 0.00 C ATOM 696 CG LYS A 77 6.727 22.789 2.605 1.00 0.00 C ATOM 697 CD LYS A 77 8.151 23.305 2.843 1.00 0.00 C ATOM 698 CE LYS A 77 9.236 22.589 2.034 1.00 0.00 C ATOM 699 NZ LYS A 77 9.521 21.228 2.538 1.00 0.00 N ATOM 0 H LYS A 77 4.205 22.069 5.302 1.00 0.00 H new ATOM 0 HA LYS A 77 4.454 21.354 2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.739 21.648 4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.840 20.666 2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.609 22.561 1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.022 23.586 2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.182 24.368 2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.385 23.209 3.903 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.925 22.528 0.991 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.151 23.180 2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.477 20.942 2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.462 21.223 3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.825 20.561 2.149 1.00 0.00 H new ATOM 713 N THR A 78 4.744 18.900 3.254 1.00 0.00 N ATOM 714 CA THR A 78 4.481 17.505 3.581 1.00 0.00 C ATOM 715 C THR A 78 5.739 16.667 3.307 1.00 0.00 C ATOM 716 O THR A 78 6.438 16.934 2.326 1.00 0.00 O ATOM 717 CB THR A 78 3.256 17.024 2.792 1.00 0.00 C ATOM 718 OG1 THR A 78 3.029 15.666 3.051 1.00 0.00 O ATOM 719 CG2 THR A 78 3.378 17.212 1.278 1.00 0.00 C ATOM 0 H THR A 78 5.140 19.020 2.322 1.00 0.00 H new ATOM 0 HA THR A 78 4.249 17.391 4.640 1.00 0.00 H new ATOM 0 HB THR A 78 2.424 17.643 3.129 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.245 15.363 2.547 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.473 16.848 0.792 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.511 18.270 1.052 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.238 16.652 0.910 1.00 0.00 H new ATOM 727 N PRO A 79 6.077 15.693 4.173 1.00 0.00 N ATOM 728 CA PRO A 79 7.228 14.828 3.964 1.00 0.00 C ATOM 729 C PRO A 79 7.001 13.900 2.765 1.00 0.00 C ATOM 730 O PRO A 79 5.900 13.392 2.540 1.00 0.00 O ATOM 731 CB PRO A 79 7.410 14.055 5.276 1.00 0.00 C ATOM 732 CG PRO A 79 6.021 14.050 5.902 1.00 0.00 C ATOM 733 CD PRO A 79 5.394 15.353 5.411 1.00 0.00 C ATOM 0 HA PRO A 79 8.129 15.393 3.726 1.00 0.00 H new ATOM 0 HB2 PRO A 79 7.769 13.042 5.095 1.00 0.00 H new ATOM 0 HB3 PRO A 79 8.138 14.540 5.926 1.00 0.00 H new ATOM 0 HG2 PRO A 79 5.442 13.183 5.584 1.00 0.00 H new ATOM 0 HG3 PRO A 79 6.073 14.017 6.990 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.324 15.231 5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.513 16.145 6.151 1.00 0.00 H new ATOM 849 N VAL A 86 0.568 8.038 0.173 1.00 0.00 N ATOM 850 CA VAL A 86 -0.662 8.597 -0.406 1.00 0.00 C ATOM 851 C VAL A 86 -0.840 8.103 -1.839 1.00 0.00 C ATOM 852 O VAL A 86 -1.809 7.401 -2.126 1.00 0.00 O ATOM 853 CB VAL A 86 -0.668 10.140 -0.338 1.00 0.00 C ATOM 854 CG1 VAL A 86 -1.810 10.752 -1.164 1.00 0.00 C ATOM 855 CG2 VAL A 86 -0.763 10.650 1.108 1.00 0.00 C ATOM 0 HA VAL A 86 -1.508 8.248 0.186 1.00 0.00 H new ATOM 0 HB VAL A 86 0.283 10.459 -0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.774 11.839 -1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.701 10.459 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.767 10.393 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.764 11.740 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.684 10.285 1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.092 10.287 1.679 1.00 0.00 H new ATOM 865 N SER A 87 0.091 8.454 -2.737 1.00 0.00 N ATOM 866 CA SER A 87 -0.022 8.088 -4.149 1.00 0.00 C ATOM 867 C SER A 87 -0.087 6.570 -4.316 1.00 0.00 C ATOM 868 O SER A 87 -0.996 6.074 -4.980 1.00 0.00 O ATOM 869 CB SER A 87 1.133 8.684 -4.963 1.00 0.00 C ATOM 870 OG SER A 87 0.663 9.139 -6.217 1.00 0.00 O ATOM 0 H SER A 87 0.928 8.990 -2.508 1.00 0.00 H new ATOM 0 HA SER A 87 -0.952 8.506 -4.533 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.586 9.510 -4.415 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.910 7.934 -5.108 1.00 0.00 H new ATOM 0 HG SER A 87 1.408 9.519 -6.727 1.00 0.00 H new ATOM 876 N LEU A 88 0.831 5.831 -3.672 1.00 0.00 N ATOM 877 CA LEU A 88 0.844 4.367 -3.687 1.00 0.00 C ATOM 878 C LEU A 88 -0.519 3.795 -3.289 1.00 0.00 C ATOM 879 O LEU A 88 -1.103 3.045 -4.071 1.00 0.00 O ATOM 880 CB LEU A 88 1.980 3.829 -2.791 1.00 0.00 C ATOM 881 CG LEU A 88 3.310 3.559 -3.526 1.00 0.00 C ATOM 882 CD1 LEU A 88 3.187 2.342 -4.460 1.00 0.00 C ATOM 883 CD2 LEU A 88 3.850 4.762 -4.310 1.00 0.00 C ATOM 0 H LEU A 88 1.588 6.239 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 88 1.040 4.034 -4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.162 4.545 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.646 2.904 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 88 4.034 3.352 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.138 2.174 -4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.926 1.460 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.410 2.529 -5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.786 4.489 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.123 5.061 -5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.025 5.593 -3.626 1.00 0.00 H new ATOM 895 N PHE A 89 -1.045 4.178 -2.120 1.00 0.00 N ATOM 896 CA PHE A 89 -2.341 3.725 -1.620 1.00 0.00 C ATOM 897 C PHE A 89 -3.470 3.928 -2.638 1.00 0.00 C ATOM 898 O PHE A 89 -4.234 2.994 -2.879 1.00 0.00 O ATOM 899 CB PHE A 89 -2.651 4.427 -0.293 1.00 0.00 C ATOM 900 CG PHE A 89 -3.952 3.976 0.329 1.00 0.00 C ATOM 901 CD1 PHE A 89 -4.052 2.679 0.866 1.00 0.00 C ATOM 902 CD2 PHE A 89 -5.067 4.834 0.341 1.00 0.00 C ATOM 903 CE1 PHE A 89 -5.270 2.231 1.400 1.00 0.00 C ATOM 904 CE2 PHE A 89 -6.284 4.388 0.883 1.00 0.00 C ATOM 905 CZ PHE A 89 -6.388 3.082 1.395 1.00 0.00 C ATOM 0 H PHE A 89 -0.571 4.822 -1.487 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.280 2.650 -1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.837 4.241 0.408 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.689 5.504 -0.459 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.190 2.028 0.867 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.988 5.832 -0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.348 1.236 1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.139 5.047 0.907 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.332 2.732 1.786 1.00 0.00 H new ATOM 915 N LEU A 90 -3.544 5.108 -3.274 1.00 0.00 N ATOM 916 CA LEU A 90 -4.527 5.404 -4.323 1.00 0.00 C ATOM 917 C LEU A 90 -4.457 4.392 -5.478 1.00 0.00 C ATOM 918 O LEU A 90 -5.477 3.802 -5.842 1.00 0.00 O ATOM 919 CB LEU A 90 -4.315 6.823 -4.880 1.00 0.00 C ATOM 920 CG LEU A 90 -4.558 7.976 -3.890 1.00 0.00 C ATOM 921 CD1 LEU A 90 -3.967 9.285 -4.442 1.00 0.00 C ATOM 922 CD2 LEU A 90 -6.050 8.152 -3.599 1.00 0.00 C ATOM 0 H LEU A 90 -2.918 5.888 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.512 5.332 -3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.293 6.898 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.976 6.959 -5.736 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.059 7.726 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.146 10.093 -3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.894 9.165 -4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.442 9.526 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.189 8.974 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.578 8.374 -4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.447 7.234 -3.166 1.00 0.00 H new ATOM 934 N ILE A 91 -3.265 4.192 -6.057 1.00 0.00 N ATOM 935 CA ILE A 91 -3.074 3.244 -7.164 1.00 0.00 C ATOM 936 C ILE A 91 -3.424 1.826 -6.719 1.00 0.00 C ATOM 937 O ILE A 91 -4.212 1.162 -7.389 1.00 0.00 O ATOM 938 CB ILE A 91 -1.640 3.298 -7.733 1.00 0.00 C ATOM 939 CG1 ILE A 91 -1.318 4.697 -8.319 1.00 0.00 C ATOM 940 CG2 ILE A 91 -1.463 2.221 -8.821 1.00 0.00 C ATOM 941 CD1 ILE A 91 -0.063 5.348 -7.720 1.00 0.00 C ATOM 0 H ILE A 91 -2.413 4.677 -5.775 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.750 3.539 -7.966 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.946 3.105 -6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.189 4.608 -9.398 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.171 5.355 -8.153 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.448 2.267 -9.217 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.640 1.236 -8.390 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.175 2.398 -9.627 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.096 6.323 -8.180 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.195 5.471 -6.645 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.802 4.712 -7.909 1.00 0.00 H new ATOM 953 N ILE A 92 -2.860 1.372 -5.591 1.00 0.00 N ATOM 954 CA ILE A 92 -3.103 0.034 -5.037 1.00 0.00 C ATOM 955 C ILE A 92 -4.606 -0.200 -4.871 1.00 0.00 C ATOM 956 O ILE A 92 -5.102 -1.256 -5.267 1.00 0.00 O ATOM 957 CB ILE A 92 -2.352 -0.157 -3.700 1.00 0.00 C ATOM 958 CG1 ILE A 92 -0.819 -0.054 -3.874 1.00 0.00 C ATOM 959 CG2 ILE A 92 -2.697 -1.524 -3.076 1.00 0.00 C ATOM 960 CD1 ILE A 92 -0.117 0.362 -2.575 1.00 0.00 C ATOM 0 H ILE A 92 -2.215 1.930 -5.032 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.716 -0.709 -5.735 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.677 0.646 -3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.427 -1.016 -4.205 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.591 0.670 -4.656 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.159 -1.641 -2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.770 -1.579 -2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.407 -2.320 -3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.958 0.421 -2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.488 1.336 -2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.321 -0.375 -1.799 1.00 0.00 H new ATOM 972 N LEU A 93 -5.332 0.800 -4.349 1.00 0.00 N ATOM 973 CA LEU A 93 -6.786 0.782 -4.284 1.00 0.00 C ATOM 974 C LEU A 93 -7.403 0.614 -5.667 1.00 0.00 C ATOM 975 O LEU A 93 -8.175 -0.319 -5.837 1.00 0.00 O ATOM 976 CB LEU A 93 -7.341 2.043 -3.600 1.00 0.00 C ATOM 977 CG LEU A 93 -7.582 1.869 -2.093 1.00 0.00 C ATOM 978 CD1 LEU A 93 -8.103 3.201 -1.550 1.00 0.00 C ATOM 979 CD2 LEU A 93 -8.605 0.757 -1.795 1.00 0.00 C ATOM 0 H LEU A 93 -4.916 1.646 -3.960 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.064 -0.080 -3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.645 2.867 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.279 2.324 -4.080 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.646 1.580 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.285 3.111 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.363 3.981 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.033 3.461 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.744 0.670 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.557 1.003 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.239 -0.190 -2.192 1.00 0.00 H new ATOM 991 N HIS A 94 -7.080 1.472 -6.642 1.00 0.00 N ATOM 992 CA HIS A 94 -7.648 1.383 -7.990 1.00 0.00 C ATOM 993 C HIS A 94 -7.421 -0.001 -8.611 1.00 0.00 C ATOM 994 O HIS A 94 -8.376 -0.629 -9.064 1.00 0.00 O ATOM 995 CB HIS A 94 -7.094 2.502 -8.885 1.00 0.00 C ATOM 996 CG HIS A 94 -8.036 2.895 -10.001 1.00 0.00 C ATOM 997 ND1 HIS A 94 -8.822 4.026 -10.012 1.00 0.00 N ATOM 998 CD2 HIS A 94 -8.274 2.217 -11.168 1.00 0.00 C ATOM 999 CE1 HIS A 94 -9.511 4.034 -11.165 1.00 0.00 C ATOM 1000 NE2 HIS A 94 -9.210 2.954 -11.905 1.00 0.00 N ATOM 0 H HIS A 94 -6.422 2.242 -6.519 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.726 1.519 -7.909 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.883 3.378 -8.271 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.146 2.178 -9.315 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -7.821 1.283 -11.466 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -10.211 4.803 -11.457 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -9.588 2.717 -12.822 1.00 0.00 H new ATOM 1008 N SER A 95 -6.180 -0.503 -8.597 1.00 0.00 N ATOM 1009 CA SER A 95 -5.823 -1.808 -9.160 1.00 0.00 C ATOM 1010 C SER A 95 -6.560 -2.950 -8.449 1.00 0.00 C ATOM 1011 O SER A 95 -7.185 -3.784 -9.108 1.00 0.00 O ATOM 1012 CB SER A 95 -4.303 -2.027 -9.117 1.00 0.00 C ATOM 1013 OG SER A 95 -3.618 -0.871 -9.564 1.00 0.00 O ATOM 0 H SER A 95 -5.387 -0.007 -8.189 1.00 0.00 H new ATOM 0 HA SER A 95 -6.139 -1.812 -10.203 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.994 -2.268 -8.100 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.035 -2.879 -9.742 1.00 0.00 H new ATOM 0 HG SER A 95 -3.615 -0.197 -8.853 1.00 0.00 H new ATOM 1019 N ALA A 96 -6.537 -2.974 -7.108 1.00 0.00 N ATOM 1020 CA ALA A 96 -7.239 -3.979 -6.309 1.00 0.00 C ATOM 1021 C ALA A 96 -8.762 -3.927 -6.522 1.00 0.00 C ATOM 1022 O ALA A 96 -9.378 -4.969 -6.754 1.00 0.00 O ATOM 1023 CB ALA A 96 -6.874 -3.796 -4.832 1.00 0.00 C ATOM 0 H ALA A 96 -6.027 -2.291 -6.548 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.919 -4.968 -6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.395 -4.543 -4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.798 -3.916 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.169 -2.799 -4.505 1.00 0.00 H new ATOM 1029 N LEU A 97 -9.352 -2.720 -6.483 1.00 0.00 N ATOM 1030 CA LEU A 97 -10.761 -2.455 -6.779 1.00 0.00 C ATOM 1031 C LEU A 97 -11.132 -2.955 -8.177 1.00 0.00 C ATOM 1032 O LEU A 97 -12.189 -3.558 -8.329 1.00 0.00 O ATOM 1033 CB LEU A 97 -11.092 -0.956 -6.646 1.00 0.00 C ATOM 1034 CG LEU A 97 -11.210 -0.455 -5.192 1.00 0.00 C ATOM 1035 CD1 LEU A 97 -11.201 1.074 -5.143 1.00 0.00 C ATOM 1036 CD2 LEU A 97 -12.495 -0.957 -4.525 1.00 0.00 C ATOM 0 H LEU A 97 -8.838 -1.875 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 97 -11.354 -3.001 -6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.319 -0.379 -7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -12.030 -0.757 -7.163 1.00 0.00 H new ATOM 0 HG LEU A 97 -10.350 -0.850 -4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.285 1.405 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.269 1.446 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -12.042 1.461 -5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -12.544 -0.584 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.359 -0.598 -5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.498 -2.047 -4.514 1.00 0.00 H new ATOM 1048 N TYR A 98 -10.274 -2.754 -9.182 1.00 0.00 N ATOM 1049 CA TYR A 98 -10.520 -3.246 -10.534 1.00 0.00 C ATOM 1050 C TYR A 98 -10.537 -4.781 -10.569 1.00 0.00 C ATOM 1051 O TYR A 98 -11.538 -5.368 -10.979 1.00 0.00 O ATOM 1052 CB TYR A 98 -9.497 -2.652 -11.517 1.00 0.00 C ATOM 1053 CG TYR A 98 -10.045 -2.423 -12.913 1.00 0.00 C ATOM 1054 CD1 TYR A 98 -10.602 -3.489 -13.640 1.00 0.00 C ATOM 1055 CD2 TYR A 98 -10.016 -1.132 -13.479 1.00 0.00 C ATOM 1056 CE1 TYR A 98 -11.150 -3.269 -14.917 1.00 0.00 C ATOM 1057 CE2 TYR A 98 -10.543 -0.911 -14.765 1.00 0.00 C ATOM 1058 CZ TYR A 98 -11.123 -1.978 -15.484 1.00 0.00 C ATOM 1059 OH TYR A 98 -11.672 -1.759 -16.709 1.00 0.00 O ATOM 0 H TYR A 98 -9.395 -2.248 -9.079 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.508 -2.914 -10.852 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.135 -1.704 -11.120 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -8.638 -3.320 -11.580 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.609 -4.482 -13.216 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.588 -0.310 -12.924 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -11.592 -4.089 -15.463 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -10.504 0.076 -15.202 1.00 0.00 H new ATOM 0 HH TYR A 98 -11.568 -0.815 -16.950 1.00 0.00 H new ATOM 1069 N PHE A 99 -9.461 -5.441 -10.119 1.00 0.00 N ATOM 1070 CA PHE A 99 -9.379 -6.906 -10.121 1.00 0.00 C ATOM 1071 C PHE A 99 -10.559 -7.550 -9.388 1.00 0.00 C ATOM 1072 O PHE A 99 -11.205 -8.450 -9.938 1.00 0.00 O ATOM 1073 CB PHE A 99 -8.048 -7.372 -9.515 1.00 0.00 C ATOM 1074 CG PHE A 99 -6.839 -7.164 -10.407 1.00 0.00 C ATOM 1075 CD1 PHE A 99 -6.807 -7.733 -11.696 1.00 0.00 C ATOM 1076 CD2 PHE A 99 -5.733 -6.426 -9.945 1.00 0.00 C ATOM 1077 CE1 PHE A 99 -5.690 -7.540 -12.528 1.00 0.00 C ATOM 1078 CE2 PHE A 99 -4.615 -6.235 -10.775 1.00 0.00 C ATOM 1079 CZ PHE A 99 -4.596 -6.787 -12.068 1.00 0.00 C ATOM 0 H PHE A 99 -8.631 -4.979 -9.747 1.00 0.00 H new ATOM 0 HA PHE A 99 -9.427 -7.232 -11.160 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -7.886 -6.842 -8.577 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -8.126 -8.432 -9.273 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.644 -8.319 -12.046 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.744 -6.005 -8.950 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.673 -7.970 -13.519 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.770 -5.664 -10.419 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.740 -6.632 -12.708 1.00 0.00 H new ATOM 1089 N LYS A 100 -10.872 -7.070 -8.174 1.00 0.00 N ATOM 1090 CA LYS A 100 -12.031 -7.564 -7.429 1.00 0.00 C ATOM 1091 C LYS A 100 -13.348 -7.266 -8.150 1.00 0.00 C ATOM 1092 O LYS A 100 -14.223 -8.122 -8.147 1.00 0.00 O ATOM 1093 CB LYS A 100 -12.020 -7.074 -5.971 1.00 0.00 C ATOM 1094 CG LYS A 100 -12.522 -5.635 -5.829 1.00 0.00 C ATOM 1095 CD LYS A 100 -12.540 -5.125 -4.389 1.00 0.00 C ATOM 1096 CE LYS A 100 -13.747 -4.191 -4.230 1.00 0.00 C ATOM 1097 NZ LYS A 100 -13.890 -3.728 -2.834 1.00 0.00 N ATOM 0 H LYS A 100 -10.340 -6.345 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.953 -8.650 -7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -12.642 -7.733 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.006 -7.142 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.890 -4.979 -6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -13.530 -5.570 -6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -12.609 -5.959 -3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.615 -4.595 -4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.633 -3.331 -4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.654 -4.711 -4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.715 -3.099 -2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.023 -4.548 -2.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -13.033 -3.211 -2.550 1.00 0.00 H new ATOM 1111 N TYR A 101 -13.500 -6.098 -8.787 1.00 0.00 N ATOM 1112 CA TYR A 101 -14.719 -5.724 -9.508 1.00 0.00 C ATOM 1113 C TYR A 101 -14.988 -6.667 -10.688 1.00 0.00 C ATOM 1114 O TYR A 101 -16.133 -7.064 -10.910 1.00 0.00 O ATOM 1115 CB TYR A 101 -14.623 -4.254 -9.949 1.00 0.00 C ATOM 1116 CG TYR A 101 -15.796 -3.747 -10.756 1.00 0.00 C ATOM 1117 CD1 TYR A 101 -17.090 -3.818 -10.207 1.00 0.00 C ATOM 1118 CD2 TYR A 101 -15.599 -3.201 -12.043 1.00 0.00 C ATOM 1119 CE1 TYR A 101 -18.194 -3.375 -10.955 1.00 0.00 C ATOM 1120 CE2 TYR A 101 -16.703 -2.753 -12.793 1.00 0.00 C ATOM 1121 CZ TYR A 101 -18.005 -2.854 -12.251 1.00 0.00 C ATOM 1122 OH TYR A 101 -19.093 -2.475 -12.970 1.00 0.00 O ATOM 0 H TYR A 101 -12.774 -5.382 -8.816 1.00 0.00 H new ATOM 0 HA TYR A 101 -15.573 -5.826 -8.839 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -14.517 -3.631 -9.061 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.715 -4.127 -10.538 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -17.234 -4.212 -9.212 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -14.602 -3.127 -12.452 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -19.188 -3.434 -10.537 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -16.556 -2.334 -13.778 1.00 0.00 H new ATOM 0 HH TYR A 101 -18.806 -2.135 -13.843 1.00 0.00 H new ATOM 1132 N LEU A 102 -13.931 -7.088 -11.394 1.00 0.00 N ATOM 1133 CA LEU A 102 -14.037 -8.075 -12.466 1.00 0.00 C ATOM 1134 C LEU A 102 -14.392 -9.468 -11.925 1.00 0.00 C ATOM 1135 O LEU A 102 -15.351 -10.079 -12.400 1.00 0.00 O ATOM 1136 CB LEU A 102 -12.741 -8.104 -13.295 1.00 0.00 C ATOM 1137 CG LEU A 102 -12.405 -6.782 -14.011 1.00 0.00 C ATOM 1138 CD1 LEU A 102 -11.155 -6.964 -14.887 1.00 0.00 C ATOM 1139 CD2 LEU A 102 -13.582 -6.242 -14.836 1.00 0.00 C ATOM 0 H LEU A 102 -12.981 -6.752 -11.235 1.00 0.00 H new ATOM 0 HA LEU A 102 -14.855 -7.776 -13.121 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.912 -8.367 -12.638 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -12.820 -8.895 -14.041 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.200 -6.036 -13.244 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.923 -6.025 -15.390 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.312 -7.258 -14.262 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.342 -7.738 -15.631 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.290 -5.309 -15.319 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.859 -6.973 -15.596 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -14.433 -6.060 -14.180 1.00 0.00 H new ATOM 1151 N LEU A 103 -13.650 -9.967 -10.923 1.00 0.00 N ATOM 1152 CA LEU A 103 -13.905 -11.291 -10.336 1.00 0.00 C ATOM 1153 C LEU A 103 -15.292 -11.361 -9.656 1.00 0.00 C ATOM 1154 O LEU A 103 -15.972 -12.383 -9.739 1.00 0.00 O ATOM 1155 CB LEU A 103 -12.708 -11.709 -9.438 1.00 0.00 C ATOM 1156 CG LEU A 103 -12.893 -11.511 -7.916 1.00 0.00 C ATOM 1157 CD1 LEU A 103 -13.619 -12.712 -7.281 1.00 0.00 C ATOM 1158 CD2 LEU A 103 -11.568 -11.274 -7.178 1.00 0.00 C ATOM 0 H LEU A 103 -12.865 -9.470 -10.501 1.00 0.00 H new ATOM 0 HA LEU A 103 -13.965 -12.040 -11.126 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.493 -12.761 -9.623 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.830 -11.144 -9.753 1.00 0.00 H new ATOM 0 HG LEU A 103 -13.502 -10.614 -7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.734 -12.543 -6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -14.602 -12.826 -7.738 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -13.035 -13.618 -7.445 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.763 -11.142 -6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.912 -12.132 -7.323 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.087 -10.379 -7.572 1.00 0.00 H new