USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 956 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 Single : A 11 LYS NZ :NH3+ -110:sc= -0.747 (180deg=-2.66!) USER MOD Single : A 14 ASN : amide:sc= -2 K(o=-2,f=-11!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -2:sc= -2.84! USER MOD Single : A 25 CYS SG : rot 5:sc= 0.0464 USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= -0.0378 (180deg=-0.454) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.249 USER MOD Single : A 30 THR OG1 : rot 60:sc= 0.224 USER MOD Single : A 37 HIS : no HD1:sc= -0.513 K(o=-0.51,f=-1.7) USER MOD Single : A 41 GLN : amide:sc= -0.0445 K(o=-0.044,f=-1.7!) USER MOD Single : A 42 THR OG1 : rot 134:sc= 0.502 USER MOD Single : A 45 GLN : amide:sc= -2.54! X(o=-2.5!,f=-2.6) USER MOD Single : A 46 ASN : amide:sc= -5.93! C(o=-5.9!,f=-18!) USER MOD Single : A 48 CYS SG : rot -152:sc= -5.87! USER MOD Single : A 53 SER OG : rot 92:sc= 1.02! USER MOD Single : A 60 THR OG1 : rot 110:sc= -0.38 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -2.13 K(o=-2.1,f=-0.73) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.4) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc=0.000556 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 155:sc= -0.182 (180deg=-0.816) USER MOD Single : A 101 MET CE :methyl -141:sc= -0.916 (180deg=-4.83!) USER MOD Single : A 104 ASN : amide:sc= -0.0589 K(o=-0.059,f=-1.4!) USER MOD Single : A 107 CYS SG : rot -139:sc= -9.79! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -5.31! C(o=-5.3!,f=-1.8!) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 CYS SG : rot 180:sc= -0.265 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 11 -3.780 -23.887 -2.546 1.00 0.00 N ATOM 112 CA LYS A 11 -2.933 -22.935 -3.313 1.00 0.00 C ATOM 113 C LYS A 11 -1.989 -22.225 -2.349 1.00 0.00 C ATOM 114 O LYS A 11 -0.823 -22.047 -2.631 1.00 0.00 O ATOM 115 CB LYS A 11 -3.798 -21.904 -4.080 1.00 0.00 C ATOM 116 CG LYS A 11 -4.275 -20.766 -3.153 1.00 0.00 C ATOM 117 CD LYS A 11 -5.431 -20.000 -3.814 1.00 0.00 C ATOM 118 CE LYS A 11 -4.966 -19.333 -5.117 1.00 0.00 C ATOM 119 NZ LYS A 11 -5.108 -20.304 -6.232 1.00 0.00 N ATOM 0 HA LYS A 11 -2.357 -23.491 -4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.221 -21.485 -4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.662 -22.405 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.600 -21.177 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.449 -20.086 -2.944 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.254 -20.683 -4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.812 -19.243 -3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.560 -18.441 -5.316 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.928 -19.012 -5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.165 -20.602 -6.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.640 -21.135 -5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.618 -19.856 -7.020 1.00 0.00 H new ATOM 133 N PHE A 12 -2.488 -21.807 -1.214 1.00 0.00 N ATOM 134 CA PHE A 12 -1.621 -21.089 -0.243 1.00 0.00 C ATOM 135 C PHE A 12 -0.461 -21.981 0.243 1.00 0.00 C ATOM 136 O PHE A 12 0.656 -21.529 0.377 1.00 0.00 O ATOM 137 CB PHE A 12 -2.467 -20.580 0.949 1.00 0.00 C ATOM 138 CG PHE A 12 -1.552 -20.138 2.076 1.00 0.00 C ATOM 139 CD1 PHE A 12 -1.047 -21.095 2.963 1.00 0.00 C ATOM 140 CD2 PHE A 12 -1.200 -18.788 2.230 1.00 0.00 C ATOM 141 CE1 PHE A 12 -0.191 -20.709 3.999 1.00 0.00 C ATOM 142 CE2 PHE A 12 -0.337 -18.405 3.271 1.00 0.00 C ATOM 143 CZ PHE A 12 0.163 -19.367 4.155 1.00 0.00 C ATOM 0 H PHE A 12 -3.457 -21.933 -0.921 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.179 -20.231 -0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.096 -19.748 0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.133 -21.369 1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.319 -22.134 2.847 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.591 -18.046 1.550 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.198 -21.451 4.681 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.060 -17.368 3.389 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.822 -19.072 4.958 1.00 0.00 H new ATOM 153 N GLU A 13 -0.705 -23.223 0.557 1.00 0.00 N ATOM 154 CA GLU A 13 0.414 -24.066 1.079 1.00 0.00 C ATOM 155 C GLU A 13 1.407 -24.494 -0.027 1.00 0.00 C ATOM 156 O GLU A 13 2.548 -24.785 0.271 1.00 0.00 O ATOM 157 CB GLU A 13 -0.161 -25.310 1.777 1.00 0.00 C ATOM 158 CG GLU A 13 -0.729 -26.266 0.729 1.00 0.00 C ATOM 159 CD GLU A 13 -1.443 -27.440 1.403 1.00 0.00 C ATOM 160 OE1 GLU A 13 -0.751 -28.342 1.836 1.00 0.00 O ATOM 161 OE2 GLU A 13 -2.663 -27.426 1.454 1.00 0.00 O ATOM 0 H GLU A 13 -1.610 -23.686 0.478 1.00 0.00 H new ATOM 0 HA GLU A 13 0.974 -23.458 1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.617 -25.808 2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.942 -25.018 2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.425 -25.733 0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.075 -26.638 0.094 1.00 0.00 H new ATOM 168 N ASN A 14 0.985 -24.590 -1.278 1.00 0.00 N ATOM 169 CA ASN A 14 1.937 -25.063 -2.351 1.00 0.00 C ATOM 170 C ASN A 14 2.436 -23.917 -3.248 1.00 0.00 C ATOM 171 O ASN A 14 3.449 -24.060 -3.906 1.00 0.00 O ATOM 172 CB ASN A 14 1.253 -26.139 -3.209 1.00 0.00 C ATOM 173 CG ASN A 14 -0.057 -25.613 -3.793 1.00 0.00 C ATOM 174 OD1 ASN A 14 -0.116 -24.506 -4.278 1.00 0.00 O ATOM 175 ND2 ASN A 14 -1.115 -26.379 -3.792 1.00 0.00 N ATOM 0 H ASN A 14 0.042 -24.366 -1.597 1.00 0.00 H new ATOM 0 HA ASN A 14 2.811 -25.479 -1.850 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.919 -26.446 -4.015 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.057 -27.024 -2.603 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.988 -26.044 -4.199 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.068 -27.313 -3.384 1.00 0.00 H new ATOM 182 N GLU A 15 1.764 -22.792 -3.305 1.00 0.00 N ATOM 183 CA GLU A 15 2.264 -21.690 -4.191 1.00 0.00 C ATOM 184 C GLU A 15 3.434 -20.950 -3.510 1.00 0.00 C ATOM 185 O GLU A 15 3.285 -20.339 -2.465 1.00 0.00 O ATOM 186 CB GLU A 15 1.126 -20.701 -4.490 1.00 0.00 C ATOM 187 CG GLU A 15 0.038 -21.378 -5.330 1.00 0.00 C ATOM 188 CD GLU A 15 0.567 -21.650 -6.736 1.00 0.00 C ATOM 189 OE1 GLU A 15 1.161 -22.694 -6.932 1.00 0.00 O ATOM 190 OE2 GLU A 15 0.371 -20.803 -7.594 1.00 0.00 O ATOM 0 H GLU A 15 0.908 -22.590 -2.788 1.00 0.00 H new ATOM 0 HA GLU A 15 2.616 -22.124 -5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.699 -20.335 -3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.519 -19.835 -5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.269 -22.312 -4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.845 -20.741 -5.380 1.00 0.00 H new ATOM 197 N GLU A 16 4.598 -21.005 -4.110 1.00 0.00 N ATOM 198 CA GLU A 16 5.807 -20.322 -3.535 1.00 0.00 C ATOM 199 C GLU A 16 5.743 -18.816 -3.812 1.00 0.00 C ATOM 200 O GLU A 16 6.567 -18.058 -3.344 1.00 0.00 O ATOM 201 CB GLU A 16 7.067 -20.885 -4.188 1.00 0.00 C ATOM 202 CG GLU A 16 7.176 -22.390 -3.923 1.00 0.00 C ATOM 203 CD GLU A 16 8.400 -22.947 -4.660 1.00 0.00 C ATOM 204 OE1 GLU A 16 9.501 -22.519 -4.357 1.00 0.00 O ATOM 205 OE2 GLU A 16 8.214 -23.801 -5.514 1.00 0.00 O ATOM 0 H GLU A 16 4.767 -21.500 -4.986 1.00 0.00 H new ATOM 0 HA GLU A 16 5.830 -20.495 -2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.043 -20.699 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.947 -20.375 -3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.265 -22.577 -2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.272 -22.897 -4.261 1.00 0.00 H new ATOM 212 N PHE A 17 4.815 -18.386 -4.600 1.00 0.00 N ATOM 213 CA PHE A 17 4.734 -16.938 -4.937 1.00 0.00 C ATOM 214 C PHE A 17 4.732 -16.061 -3.669 1.00 0.00 C ATOM 215 O PHE A 17 4.953 -14.868 -3.751 1.00 0.00 O ATOM 216 CB PHE A 17 3.460 -16.709 -5.776 1.00 0.00 C ATOM 217 CG PHE A 17 2.875 -15.325 -5.532 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.597 -14.178 -5.894 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.615 -15.193 -4.927 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.063 -12.910 -5.656 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.085 -13.923 -4.690 1.00 0.00 C ATOM 222 CZ PHE A 17 1.810 -12.781 -5.054 1.00 0.00 C ATOM 0 H PHE A 17 4.101 -18.972 -5.032 1.00 0.00 H new ATOM 0 HA PHE A 17 5.614 -16.648 -5.512 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.694 -16.825 -6.834 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.718 -17.468 -5.528 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.568 -14.276 -6.358 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.056 -16.073 -4.645 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.620 -12.028 -5.938 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.115 -13.821 -4.226 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.399 -11.800 -4.869 1.00 0.00 H new ATOM 232 N PHE A 18 4.479 -16.605 -2.507 1.00 0.00 N ATOM 233 CA PHE A 18 4.467 -15.730 -1.298 1.00 0.00 C ATOM 234 C PHE A 18 5.898 -15.422 -0.883 1.00 0.00 C ATOM 235 O PHE A 18 6.318 -14.283 -0.838 1.00 0.00 O ATOM 236 CB PHE A 18 3.721 -16.422 -0.158 1.00 0.00 C ATOM 237 CG PHE A 18 2.465 -17.022 -0.724 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.469 -16.179 -1.230 1.00 0.00 C ATOM 239 CD2 PHE A 18 2.291 -18.408 -0.753 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.303 -16.725 -1.771 1.00 0.00 C ATOM 241 CE2 PHE A 18 1.128 -18.953 -1.291 1.00 0.00 C ATOM 242 CZ PHE A 18 0.130 -18.112 -1.800 1.00 0.00 C ATOM 0 H PHE A 18 4.285 -17.593 -2.344 1.00 0.00 H new ATOM 0 HA PHE A 18 3.954 -14.797 -1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.344 -17.195 0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.481 -15.708 0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.602 -15.108 -1.202 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.059 -19.057 -0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.464 -16.076 -2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.995 -20.025 -1.316 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.773 -18.535 -2.215 1.00 0.00 H new ATOM 252 N ARG A 19 6.669 -16.419 -0.594 1.00 0.00 N ATOM 253 CA ARG A 19 8.073 -16.159 -0.196 1.00 0.00 C ATOM 254 C ARG A 19 8.839 -15.467 -1.325 1.00 0.00 C ATOM 255 O ARG A 19 9.649 -14.597 -1.077 1.00 0.00 O ATOM 256 CB ARG A 19 8.764 -17.476 0.231 1.00 0.00 C ATOM 257 CG ARG A 19 8.124 -18.685 -0.480 1.00 0.00 C ATOM 258 CD ARG A 19 6.936 -19.222 0.347 1.00 0.00 C ATOM 259 NE ARG A 19 7.455 -20.019 1.484 1.00 0.00 N ATOM 260 CZ ARG A 19 6.678 -20.316 2.485 1.00 0.00 C ATOM 261 NH1 ARG A 19 5.418 -19.973 2.460 1.00 0.00 N ATOM 262 NH2 ARG A 19 7.164 -20.973 3.499 1.00 0.00 N ATOM 0 H ARG A 19 6.393 -17.401 -0.615 1.00 0.00 H new ATOM 0 HA ARG A 19 8.073 -15.485 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.826 -17.429 -0.008 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.685 -17.600 1.311 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.783 -18.393 -1.473 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.867 -19.471 -0.616 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.329 -18.394 0.714 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.290 -19.837 -0.279 1.00 0.00 H new ATOM 0 HE ARG A 19 8.425 -20.336 1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.042 -19.472 1.655 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.810 -20.206 3.245 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.146 -21.250 3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.563 -21.210 4.288 1.00 0.00 H new ATOM 276 N LYS A 20 8.620 -15.848 -2.563 1.00 0.00 N ATOM 277 CA LYS A 20 9.379 -15.199 -3.680 1.00 0.00 C ATOM 278 C LYS A 20 9.133 -13.694 -3.754 1.00 0.00 C ATOM 279 O LYS A 20 10.009 -12.951 -4.144 1.00 0.00 O ATOM 280 CB LYS A 20 9.018 -15.825 -5.023 1.00 0.00 C ATOM 281 CG LYS A 20 9.481 -17.286 -5.044 1.00 0.00 C ATOM 282 CD LYS A 20 9.366 -17.856 -6.466 1.00 0.00 C ATOM 283 CE LYS A 20 7.897 -18.057 -6.848 1.00 0.00 C ATOM 284 NZ LYS A 20 7.830 -18.863 -8.105 1.00 0.00 N ATOM 0 H LYS A 20 7.958 -16.570 -2.845 1.00 0.00 H new ATOM 0 HA LYS A 20 10.435 -15.365 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.941 -15.771 -5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.490 -15.271 -5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.513 -17.354 -4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.876 -17.877 -4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.842 -17.179 -7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.897 -18.806 -6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.365 -18.566 -6.045 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.410 -17.093 -6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.835 -19.005 -8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.326 -18.359 -8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.282 -19.787 -7.950 1.00 0.00 H new ATOM 298 N LEU A 21 7.961 -13.222 -3.410 1.00 0.00 N ATOM 299 CA LEU A 21 7.704 -11.743 -3.498 1.00 0.00 C ATOM 300 C LEU A 21 6.978 -11.241 -2.244 1.00 0.00 C ATOM 301 O LEU A 21 7.183 -10.119 -1.820 1.00 0.00 O ATOM 302 CB LEU A 21 6.856 -11.439 -4.745 1.00 0.00 C ATOM 303 CG LEU A 21 7.640 -11.707 -6.046 1.00 0.00 C ATOM 304 CD1 LEU A 21 6.677 -11.570 -7.231 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.782 -10.691 -6.205 1.00 0.00 C ATOM 0 H LEU A 21 7.178 -13.784 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 21 8.662 -11.228 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.954 -12.052 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.534 -10.398 -4.722 1.00 0.00 H new ATOM 0 HG LEU A 21 8.067 -12.709 -6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.215 -11.756 -8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.868 -12.294 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.262 -10.562 -7.248 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.325 -10.895 -7.128 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.369 -9.683 -6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.463 -10.774 -5.358 1.00 0.00 H new ATOM 317 N SER A 22 6.151 -12.037 -1.629 1.00 0.00 N ATOM 318 CA SER A 22 5.463 -11.553 -0.403 1.00 0.00 C ATOM 319 C SER A 22 6.439 -11.633 0.771 1.00 0.00 C ATOM 320 O SER A 22 6.252 -12.389 1.705 1.00 0.00 O ATOM 321 CB SER A 22 4.223 -12.397 -0.116 1.00 0.00 C ATOM 322 OG SER A 22 4.588 -13.611 0.536 1.00 0.00 O ATOM 0 H SER A 22 5.924 -12.989 -1.917 1.00 0.00 H new ATOM 0 HA SER A 22 5.142 -10.521 -0.549 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.530 -11.835 0.510 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.703 -12.619 -1.048 1.00 0.00 H new ATOM 0 HG SER A 22 5.563 -13.654 0.626 1.00 0.00 H new ATOM 328 N ARG A 23 7.488 -10.858 0.714 1.00 0.00 N ATOM 329 CA ARG A 23 8.514 -10.869 1.804 1.00 0.00 C ATOM 330 C ARG A 23 9.023 -9.427 1.997 1.00 0.00 C ATOM 331 O ARG A 23 8.591 -8.524 1.304 1.00 0.00 O ATOM 332 CB ARG A 23 9.660 -11.791 1.364 1.00 0.00 C ATOM 333 CG ARG A 23 10.450 -12.289 2.574 1.00 0.00 C ATOM 334 CD ARG A 23 11.566 -13.222 2.099 1.00 0.00 C ATOM 335 NE ARG A 23 12.327 -13.729 3.275 1.00 0.00 N ATOM 336 CZ ARG A 23 13.128 -14.749 3.138 1.00 0.00 C ATOM 337 NH1 ARG A 23 13.335 -15.260 1.957 1.00 0.00 N ATOM 338 NH2 ARG A 23 13.733 -15.241 4.181 1.00 0.00 N ATOM 0 H ARG A 23 7.683 -10.209 -0.049 1.00 0.00 H new ATOM 0 HA ARG A 23 8.100 -11.231 2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.258 -12.640 0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.324 -11.255 0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.873 -11.445 3.119 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.789 -12.815 3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.143 -14.056 1.540 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.235 -12.691 1.422 1.00 0.00 H new ATOM 0 HE ARG A 23 12.222 -13.280 4.185 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.871 -14.862 1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.961 -16.058 1.849 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.580 -14.829 5.101 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.360 -16.039 4.078 1.00 0.00 H new ATOM 352 N GLU A 24 9.920 -9.184 2.928 1.00 0.00 N ATOM 353 CA GLU A 24 10.438 -7.791 3.114 1.00 0.00 C ATOM 354 C GLU A 24 11.163 -7.353 1.822 1.00 0.00 C ATOM 355 O GLU A 24 12.172 -7.922 1.454 1.00 0.00 O ATOM 356 CB GLU A 24 11.414 -7.766 4.308 1.00 0.00 C ATOM 357 CG GLU A 24 12.717 -8.501 3.948 1.00 0.00 C ATOM 358 CD GLU A 24 13.454 -8.943 5.223 1.00 0.00 C ATOM 359 OE1 GLU A 24 13.051 -9.937 5.803 1.00 0.00 O ATOM 360 OE2 GLU A 24 14.409 -8.278 5.585 1.00 0.00 O ATOM 0 H GLU A 24 10.311 -9.883 3.560 1.00 0.00 H new ATOM 0 HA GLU A 24 9.615 -7.105 3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.635 -6.735 4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.951 -8.237 5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.493 -9.371 3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.359 -7.848 3.357 1.00 0.00 H new ATOM 367 N CYS A 25 10.657 -6.360 1.121 1.00 0.00 N ATOM 368 CA CYS A 25 11.332 -5.902 -0.141 1.00 0.00 C ATOM 369 C CYS A 25 11.449 -4.369 -0.163 1.00 0.00 C ATOM 370 O CYS A 25 10.643 -3.673 0.415 1.00 0.00 O ATOM 371 CB CYS A 25 10.499 -6.375 -1.329 1.00 0.00 C ATOM 372 SG CYS A 25 10.649 -8.172 -1.514 1.00 0.00 S ATOM 0 H CYS A 25 9.809 -5.849 1.367 1.00 0.00 H new ATOM 0 HA CYS A 25 12.337 -6.320 -0.192 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.454 -6.102 -1.183 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.834 -5.878 -2.240 1.00 0.00 H new ATOM 0 HG CYS A 25 11.354 -8.652 -0.533 1.00 0.00 H new ATOM 378 N GLU A 26 12.437 -3.845 -0.846 1.00 0.00 N ATOM 379 CA GLU A 26 12.592 -2.365 -0.938 1.00 0.00 C ATOM 380 C GLU A 26 11.401 -1.802 -1.718 1.00 0.00 C ATOM 381 O GLU A 26 10.931 -2.423 -2.646 1.00 0.00 O ATOM 382 CB GLU A 26 13.880 -2.060 -1.694 1.00 0.00 C ATOM 383 CG GLU A 26 15.087 -2.495 -0.860 1.00 0.00 C ATOM 384 CD GLU A 26 15.306 -1.526 0.302 1.00 0.00 C ATOM 385 OE1 GLU A 26 14.605 -1.649 1.294 1.00 0.00 O ATOM 386 OE2 GLU A 26 16.177 -0.683 0.183 1.00 0.00 O ATOM 0 H GLU A 26 13.145 -4.384 -1.345 1.00 0.00 H new ATOM 0 HA GLU A 26 12.631 -1.918 0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.882 -2.580 -2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.941 -0.993 -1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.929 -3.503 -0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.978 -2.529 -1.487 1.00 0.00 H new ATOM 393 N ILE A 27 10.905 -0.642 -1.350 1.00 0.00 N ATOM 394 CA ILE A 27 9.730 -0.061 -2.083 1.00 0.00 C ATOM 395 C ILE A 27 9.892 1.437 -2.293 1.00 0.00 C ATOM 396 O ILE A 27 10.559 2.128 -1.543 1.00 0.00 O ATOM 397 CB ILE A 27 8.453 -0.327 -1.269 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.423 0.512 0.034 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.427 -1.802 -0.880 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.081 0.329 0.762 1.00 0.00 C ATOM 0 H ILE A 27 11.259 -0.075 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 27 9.665 -0.534 -3.063 1.00 0.00 H new ATOM 0 HB ILE A 27 7.594 -0.054 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.242 0.210 0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.575 1.565 -0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.527 -2.010 -0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.429 -2.416 -1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.306 -2.036 -0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.078 0.925 1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.268 0.654 0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.945 -0.722 1.015 1.00 0.00 H new ATOM 412 N LYS A 28 9.242 1.952 -3.303 1.00 0.00 N ATOM 413 CA LYS A 28 9.313 3.405 -3.556 1.00 0.00 C ATOM 414 C LYS A 28 7.997 3.890 -4.153 1.00 0.00 C ATOM 415 O LYS A 28 7.345 3.209 -4.928 1.00 0.00 O ATOM 416 CB LYS A 28 10.452 3.697 -4.522 1.00 0.00 C ATOM 417 CG LYS A 28 10.194 2.996 -5.860 1.00 0.00 C ATOM 418 CD LYS A 28 11.420 3.169 -6.760 1.00 0.00 C ATOM 419 CE LYS A 28 11.186 2.446 -8.078 1.00 0.00 C ATOM 420 NZ LYS A 28 10.104 3.149 -8.814 1.00 0.00 N ATOM 0 H LYS A 28 8.667 1.423 -3.959 1.00 0.00 H new ATOM 0 HA LYS A 28 9.492 3.926 -2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.543 4.772 -4.676 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.396 3.355 -4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.993 1.937 -5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.312 3.417 -6.341 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.605 4.228 -6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.306 2.770 -6.266 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.101 2.433 -8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.908 1.408 -7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.154 2.903 -9.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.181 2.861 -8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.219 4.177 -8.703 1.00 0.00 H new ATOM 434 N TYR A 29 7.618 5.078 -3.786 1.00 0.00 N ATOM 435 CA TYR A 29 6.351 5.671 -4.294 1.00 0.00 C ATOM 436 C TYR A 29 6.507 6.067 -5.769 1.00 0.00 C ATOM 437 O TYR A 29 7.578 6.458 -6.208 1.00 0.00 O ATOM 438 CB TYR A 29 6.023 6.901 -3.436 1.00 0.00 C ATOM 439 CG TYR A 29 4.779 7.572 -3.943 1.00 0.00 C ATOM 440 CD1 TYR A 29 3.523 7.169 -3.480 1.00 0.00 C ATOM 441 CD2 TYR A 29 4.884 8.609 -4.874 1.00 0.00 C ATOM 442 CE1 TYR A 29 2.369 7.799 -3.955 1.00 0.00 C ATOM 443 CE2 TYR A 29 3.733 9.238 -5.346 1.00 0.00 C ATOM 444 CZ TYR A 29 2.479 8.832 -4.885 1.00 0.00 C ATOM 445 OH TYR A 29 1.349 9.447 -5.351 1.00 0.00 O ATOM 0 H TYR A 29 8.140 5.675 -3.145 1.00 0.00 H new ATOM 0 HA TYR A 29 5.540 4.946 -4.228 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.886 6.602 -2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.858 7.602 -3.458 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.444 6.372 -2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.855 8.923 -5.227 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.397 7.487 -3.603 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.811 10.038 -6.067 1.00 0.00 H new ATOM 0 HH TYR A 29 1.597 10.146 -5.992 1.00 0.00 H new ATOM 455 N THR A 30 5.455 5.972 -6.547 1.00 0.00 N ATOM 456 CA THR A 30 5.567 6.349 -7.988 1.00 0.00 C ATOM 457 C THR A 30 5.459 7.874 -8.119 1.00 0.00 C ATOM 458 O THR A 30 4.457 8.462 -7.763 1.00 0.00 O ATOM 459 CB THR A 30 4.428 5.692 -8.765 1.00 0.00 C ATOM 460 OG1 THR A 30 4.377 4.307 -8.445 1.00 0.00 O ATOM 461 CG2 THR A 30 4.620 5.862 -10.275 1.00 0.00 C ATOM 0 H THR A 30 4.533 5.653 -6.249 1.00 0.00 H new ATOM 0 HA THR A 30 6.525 6.014 -8.386 1.00 0.00 H new ATOM 0 HB THR A 30 3.493 6.176 -8.483 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.227 4.199 -7.483 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.794 5.384 -10.803 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.643 6.923 -10.522 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.560 5.399 -10.577 1.00 0.00 H new ATOM 469 N GLY A 31 6.486 8.507 -8.635 1.00 0.00 N ATOM 470 CA GLY A 31 6.460 9.989 -8.799 1.00 0.00 C ATOM 471 C GLY A 31 7.578 10.416 -9.755 1.00 0.00 C ATOM 472 O GLY A 31 8.333 9.598 -10.252 1.00 0.00 O ATOM 0 H GLY A 31 7.344 8.055 -8.950 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.493 10.306 -9.189 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.588 10.475 -7.832 1.00 0.00 H new ATOM 476 N PHE A 32 7.695 11.694 -10.026 1.00 0.00 N ATOM 477 CA PHE A 32 8.760 12.169 -10.958 1.00 0.00 C ATOM 478 C PHE A 32 10.080 12.402 -10.204 1.00 0.00 C ATOM 479 O PHE A 32 10.373 13.510 -9.802 1.00 0.00 O ATOM 480 CB PHE A 32 8.321 13.489 -11.619 1.00 0.00 C ATOM 481 CG PHE A 32 7.269 13.226 -12.677 1.00 0.00 C ATOM 482 CD1 PHE A 32 7.632 12.604 -13.876 1.00 0.00 C ATOM 483 CD2 PHE A 32 5.947 13.631 -12.472 1.00 0.00 C ATOM 484 CE1 PHE A 32 6.675 12.383 -14.872 1.00 0.00 C ATOM 485 CE2 PHE A 32 4.986 13.417 -13.469 1.00 0.00 C ATOM 486 CZ PHE A 32 5.348 12.789 -14.666 1.00 0.00 C ATOM 0 H PHE A 32 7.098 12.426 -9.641 1.00 0.00 H new ATOM 0 HA PHE A 32 8.915 11.403 -11.718 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.924 14.167 -10.863 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.183 13.982 -12.069 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.654 12.293 -14.033 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.666 14.109 -11.545 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.957 11.901 -15.797 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.966 13.737 -13.314 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.606 12.617 -15.431 1.00 0.00 H new ATOM 496 N ARG A 33 10.882 11.383 -10.025 1.00 0.00 N ATOM 497 CA ARG A 33 12.190 11.576 -9.320 1.00 0.00 C ATOM 498 C ARG A 33 13.018 12.659 -10.038 1.00 0.00 C ATOM 499 O ARG A 33 13.863 13.303 -9.440 1.00 0.00 O ATOM 500 CB ARG A 33 12.966 10.253 -9.269 1.00 0.00 C ATOM 501 CG ARG A 33 14.179 10.423 -8.354 1.00 0.00 C ATOM 502 CD ARG A 33 14.983 9.121 -8.306 1.00 0.00 C ATOM 503 NE ARG A 33 16.155 9.275 -7.369 1.00 0.00 N ATOM 504 CZ ARG A 33 17.084 10.176 -7.578 1.00 0.00 C ATOM 505 NH1 ARG A 33 17.119 10.827 -8.714 1.00 0.00 N ATOM 506 NH2 ARG A 33 18.017 10.381 -6.673 1.00 0.00 N ATOM 0 H ARG A 33 10.691 10.430 -10.334 1.00 0.00 H new ATOM 0 HA ARG A 33 11.998 11.902 -8.298 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.324 9.454 -8.899 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.287 9.966 -10.270 1.00 0.00 H new ATOM 0 HG2 ARG A 33 14.808 11.236 -8.717 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.853 10.696 -7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.345 8.302 -7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.336 8.865 -9.305 1.00 0.00 H new ATOM 0 HE ARG A 33 16.226 8.665 -6.555 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.424 10.633 -9.435 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.841 11.528 -8.878 1.00 0.00 H new ATOM 0 HH21 ARG A 33 18.017 9.839 -5.809 1.00 0.00 H new ATOM 0 HH22 ARG A 33 18.740 11.082 -6.836 1.00 0.00 H new ATOM 520 N ASP A 34 12.783 12.873 -11.304 1.00 0.00 N ATOM 521 CA ASP A 34 13.554 13.912 -12.041 1.00 0.00 C ATOM 522 C ASP A 34 13.033 15.287 -11.631 1.00 0.00 C ATOM 523 O ASP A 34 13.566 16.313 -12.006 1.00 0.00 O ATOM 524 CB ASP A 34 13.376 13.701 -13.545 1.00 0.00 C ATOM 525 CG ASP A 34 11.890 13.809 -13.942 1.00 0.00 C ATOM 526 OD1 ASP A 34 11.183 14.603 -13.340 1.00 0.00 O ATOM 527 OD2 ASP A 34 11.496 13.108 -14.857 1.00 0.00 O ATOM 0 H ASP A 34 12.089 12.372 -11.859 1.00 0.00 H new ATOM 0 HA ASP A 34 14.615 13.841 -11.802 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.958 14.443 -14.092 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.762 12.722 -13.827 1.00 0.00 H new ATOM 532 N ARG A 35 12.023 15.294 -10.812 1.00 0.00 N ATOM 533 CA ARG A 35 11.480 16.571 -10.295 1.00 0.00 C ATOM 534 C ARG A 35 12.306 16.897 -9.057 1.00 0.00 C ATOM 535 O ARG A 35 12.429 16.058 -8.188 1.00 0.00 O ATOM 536 CB ARG A 35 10.011 16.377 -9.897 1.00 0.00 C ATOM 537 CG ARG A 35 9.359 17.731 -9.562 1.00 0.00 C ATOM 538 CD ARG A 35 8.828 18.384 -10.832 1.00 0.00 C ATOM 539 NE ARG A 35 8.166 19.665 -10.468 1.00 0.00 N ATOM 540 CZ ARG A 35 7.792 20.487 -11.399 1.00 0.00 C ATOM 541 NH1 ARG A 35 7.860 20.129 -12.650 1.00 0.00 N ATOM 542 NH2 ARG A 35 7.316 21.651 -11.072 1.00 0.00 N ATOM 0 H ARG A 35 11.546 14.457 -10.476 1.00 0.00 H new ATOM 0 HA ARG A 35 11.530 17.367 -11.038 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.468 15.897 -10.711 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.946 15.713 -9.035 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.546 17.586 -8.851 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.087 18.386 -9.084 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.643 18.565 -11.533 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.121 17.721 -11.330 1.00 0.00 H new ATOM 0 HE ARG A 35 8.006 19.897 -9.488 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.207 19.202 -12.897 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.566 20.775 -13.382 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.239 21.913 -10.089 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.020 22.303 -11.798 1.00 0.00 H new ATOM 556 N PRO A 36 12.896 18.070 -8.960 1.00 0.00 N ATOM 557 CA PRO A 36 13.728 18.424 -7.783 1.00 0.00 C ATOM 558 C PRO A 36 13.184 17.827 -6.478 1.00 0.00 C ATOM 559 O PRO A 36 12.029 17.450 -6.381 1.00 0.00 O ATOM 560 CB PRO A 36 13.658 19.946 -7.764 1.00 0.00 C ATOM 561 CG PRO A 36 13.590 20.332 -9.212 1.00 0.00 C ATOM 562 CD PRO A 36 12.859 19.184 -9.938 1.00 0.00 C ATOM 0 HA PRO A 36 14.742 18.032 -7.857 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.783 20.297 -7.217 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.532 20.378 -7.278 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.055 21.273 -9.338 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.589 20.476 -9.622 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.836 19.459 -10.193 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.359 18.916 -10.869 1.00 0.00 H new ATOM 570 N HIS A 37 14.012 17.749 -5.474 1.00 0.00 N ATOM 571 CA HIS A 37 13.572 17.182 -4.165 1.00 0.00 C ATOM 572 C HIS A 37 12.223 17.786 -3.762 1.00 0.00 C ATOM 573 O HIS A 37 11.565 17.315 -2.857 1.00 0.00 O ATOM 574 CB HIS A 37 14.626 17.502 -3.101 1.00 0.00 C ATOM 575 CG HIS A 37 14.683 18.985 -2.860 1.00 0.00 C ATOM 576 ND1 HIS A 37 15.040 19.881 -3.850 1.00 0.00 N ATOM 577 CD2 HIS A 37 14.445 19.741 -1.739 1.00 0.00 C ATOM 578 CE1 HIS A 37 15.011 21.115 -3.313 1.00 0.00 C ATOM 579 NE2 HIS A 37 14.654 21.086 -2.029 1.00 0.00 N ATOM 0 H HIS A 37 14.984 18.056 -5.503 1.00 0.00 H new ATOM 0 HA HIS A 37 13.459 16.101 -4.254 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.386 16.984 -2.173 1.00 0.00 H new ATOM 0 HB3 HIS A 37 15.602 17.140 -3.425 1.00 0.00 H new ATOM 0 HD2 HIS A 37 14.142 19.351 -0.778 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.248 22.018 -3.856 1.00 0.00 H new ATOM 0 HE2 HIS A 37 14.555 21.879 -1.395 1.00 0.00 H new ATOM 587 N GLU A 38 11.813 18.817 -4.431 1.00 0.00 N ATOM 588 CA GLU A 38 10.507 19.468 -4.103 1.00 0.00 C ATOM 589 C GLU A 38 9.352 18.474 -4.209 1.00 0.00 C ATOM 590 O GLU A 38 8.275 18.721 -3.709 1.00 0.00 O ATOM 591 CB GLU A 38 10.278 20.651 -5.050 1.00 0.00 C ATOM 592 CG GLU A 38 9.933 20.126 -6.459 1.00 0.00 C ATOM 593 CD GLU A 38 8.428 19.852 -6.587 1.00 0.00 C ATOM 594 OE1 GLU A 38 7.722 20.020 -5.607 1.00 0.00 O ATOM 595 OE2 GLU A 38 8.009 19.483 -7.669 1.00 0.00 O ATOM 0 H GLU A 38 12.326 19.247 -5.200 1.00 0.00 H new ATOM 0 HA GLU A 38 10.544 19.825 -3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.468 21.278 -4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.171 21.275 -5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.239 20.856 -7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.492 19.211 -6.658 1.00 0.00 H new ATOM 602 N GLU A 39 9.552 17.354 -4.837 1.00 0.00 N ATOM 603 CA GLU A 39 8.452 16.370 -4.926 1.00 0.00 C ATOM 604 C GLU A 39 8.242 15.721 -3.556 1.00 0.00 C ATOM 605 O GLU A 39 7.179 15.225 -3.250 1.00 0.00 O ATOM 606 CB GLU A 39 8.850 15.284 -5.931 1.00 0.00 C ATOM 607 CG GLU A 39 10.008 14.453 -5.357 1.00 0.00 C ATOM 608 CD GLU A 39 10.559 13.543 -6.445 1.00 0.00 C ATOM 609 OE1 GLU A 39 9.791 12.736 -6.953 1.00 0.00 O ATOM 610 OE2 GLU A 39 11.729 13.655 -6.749 1.00 0.00 O ATOM 0 H GLU A 39 10.425 17.081 -5.289 1.00 0.00 H new ATOM 0 HA GLU A 39 7.534 16.865 -5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.997 14.640 -6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.148 15.739 -6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.793 15.111 -4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.661 13.859 -4.511 1.00 0.00 H new ATOM 617 N ARG A 40 9.256 15.675 -2.732 1.00 0.00 N ATOM 618 CA ARG A 40 9.068 14.993 -1.428 1.00 0.00 C ATOM 619 C ARG A 40 7.897 15.626 -0.681 1.00 0.00 C ATOM 620 O ARG A 40 7.024 14.931 -0.196 1.00 0.00 O ATOM 621 CB ARG A 40 10.352 15.095 -0.582 1.00 0.00 C ATOM 622 CG ARG A 40 10.537 16.523 -0.052 1.00 0.00 C ATOM 623 CD ARG A 40 11.949 16.685 0.535 1.00 0.00 C ATOM 624 NE ARG A 40 12.030 17.936 1.371 1.00 0.00 N ATOM 625 CZ ARG A 40 11.737 19.106 0.883 1.00 0.00 C ATOM 626 NH1 ARG A 40 11.468 19.231 -0.388 1.00 0.00 N ATOM 627 NH2 ARG A 40 11.760 20.158 1.656 1.00 0.00 N ATOM 0 H ARG A 40 10.181 16.070 -2.902 1.00 0.00 H new ATOM 0 HA ARG A 40 8.852 13.940 -1.606 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.301 14.395 0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.215 14.810 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.384 17.242 -0.857 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.789 16.736 0.712 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.198 15.816 1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.682 16.730 -0.271 1.00 0.00 H new ATOM 0 HE ARG A 40 12.322 17.864 2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.488 18.413 -0.996 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.238 20.147 -0.773 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.007 20.062 2.641 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.531 21.076 1.275 1.00 0.00 H new ATOM 641 N GLN A 41 7.837 16.926 -0.591 1.00 0.00 N ATOM 642 CA GLN A 41 6.681 17.539 0.127 1.00 0.00 C ATOM 643 C GLN A 41 5.455 17.626 -0.782 1.00 0.00 C ATOM 644 O GLN A 41 4.389 17.171 -0.435 1.00 0.00 O ATOM 645 CB GLN A 41 7.057 18.941 0.646 1.00 0.00 C ATOM 646 CG GLN A 41 7.552 19.836 -0.503 1.00 0.00 C ATOM 647 CD GLN A 41 8.239 21.096 0.047 1.00 0.00 C ATOM 648 OE1 GLN A 41 8.662 21.143 1.187 1.00 0.00 O ATOM 649 NE2 GLN A 41 8.372 22.139 -0.734 1.00 0.00 N ATOM 0 H GLN A 41 8.521 17.579 -0.973 1.00 0.00 H new ATOM 0 HA GLN A 41 6.433 16.901 0.975 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.192 19.401 1.124 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.833 18.856 1.406 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.249 19.280 -1.129 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.712 20.121 -1.136 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.020 22.108 -1.691 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.827 22.982 -0.385 1.00 0.00 H new ATOM 658 N THR A 42 5.592 18.245 -1.921 1.00 0.00 N ATOM 659 CA THR A 42 4.420 18.413 -2.815 1.00 0.00 C ATOM 660 C THR A 42 3.844 17.060 -3.237 1.00 0.00 C ATOM 661 O THR A 42 2.644 16.883 -3.305 1.00 0.00 O ATOM 662 CB THR A 42 4.839 19.201 -4.059 1.00 0.00 C ATOM 663 OG1 THR A 42 5.539 20.377 -3.666 1.00 0.00 O ATOM 664 CG2 THR A 42 3.586 19.598 -4.847 1.00 0.00 C ATOM 0 H THR A 42 6.465 18.641 -2.269 1.00 0.00 H new ATOM 0 HA THR A 42 3.648 18.956 -2.269 1.00 0.00 H new ATOM 0 HB THR A 42 5.488 18.584 -4.680 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.351 20.471 -4.207 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.877 20.160 -5.735 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.045 18.700 -5.147 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.943 20.217 -4.221 1.00 0.00 H new ATOM 672 N ARG A 43 4.665 16.098 -3.525 1.00 0.00 N ATOM 673 CA ARG A 43 4.110 14.784 -3.931 1.00 0.00 C ATOM 674 C ARG A 43 3.390 14.155 -2.734 1.00 0.00 C ATOM 675 O ARG A 43 2.354 13.538 -2.880 1.00 0.00 O ATOM 676 CB ARG A 43 5.219 13.854 -4.447 1.00 0.00 C ATOM 677 CG ARG A 43 4.606 12.721 -5.307 1.00 0.00 C ATOM 678 CD ARG A 43 4.389 13.215 -6.748 1.00 0.00 C ATOM 679 NE ARG A 43 3.940 12.086 -7.616 1.00 0.00 N ATOM 680 CZ ARG A 43 3.451 12.330 -8.800 1.00 0.00 C ATOM 681 NH1 ARG A 43 3.325 13.566 -9.207 1.00 0.00 N ATOM 682 NH2 ARG A 43 3.110 11.341 -9.579 1.00 0.00 N ATOM 0 H ARG A 43 5.683 16.161 -3.498 1.00 0.00 H new ATOM 0 HA ARG A 43 3.401 14.931 -4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.936 14.423 -5.039 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.767 13.428 -3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.267 11.854 -5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.657 12.399 -4.877 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.644 14.011 -6.759 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.314 13.638 -7.139 1.00 0.00 H new ATOM 0 HE ARG A 43 4.016 11.125 -7.283 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.609 14.334 -8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.943 13.762 -10.132 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.226 10.379 -9.262 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.727 11.530 -10.505 1.00 0.00 H new ATOM 696 N PHE A 44 3.936 14.285 -1.554 1.00 0.00 N ATOM 697 CA PHE A 44 3.285 13.680 -0.367 1.00 0.00 C ATOM 698 C PHE A 44 1.912 14.316 -0.108 1.00 0.00 C ATOM 699 O PHE A 44 0.928 13.630 0.072 1.00 0.00 O ATOM 700 CB PHE A 44 4.217 13.884 0.843 1.00 0.00 C ATOM 701 CG PHE A 44 5.267 12.775 0.885 1.00 0.00 C ATOM 702 CD1 PHE A 44 6.076 12.503 -0.236 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.439 12.030 2.060 1.00 0.00 C ATOM 704 CE1 PHE A 44 7.036 11.479 -0.174 1.00 0.00 C ATOM 705 CE2 PHE A 44 6.400 11.014 2.116 1.00 0.00 C ATOM 706 CZ PHE A 44 7.194 10.737 0.999 1.00 0.00 C ATOM 0 H PHE A 44 4.805 14.785 -1.366 1.00 0.00 H new ATOM 0 HA PHE A 44 3.118 12.616 -0.538 1.00 0.00 H new ATOM 0 HB2 PHE A 44 4.705 14.856 0.777 1.00 0.00 H new ATOM 0 HB3 PHE A 44 3.636 13.881 1.765 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.958 13.080 -1.141 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.828 12.241 2.925 1.00 0.00 H new ATOM 0 HE1 PHE A 44 7.653 11.265 -1.034 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.528 10.443 3.024 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.930 9.948 1.043 1.00 0.00 H new ATOM 716 N GLN A 45 1.832 15.612 -0.078 1.00 0.00 N ATOM 717 CA GLN A 45 0.512 16.256 0.185 1.00 0.00 C ATOM 718 C GLN A 45 -0.445 16.074 -0.999 1.00 0.00 C ATOM 719 O GLN A 45 -1.579 15.665 -0.831 1.00 0.00 O ATOM 720 CB GLN A 45 0.701 17.753 0.458 1.00 0.00 C ATOM 721 CG GLN A 45 1.586 18.408 -0.632 1.00 0.00 C ATOM 722 CD GLN A 45 2.509 19.463 -0.010 1.00 0.00 C ATOM 723 OE1 GLN A 45 2.336 20.647 -0.224 1.00 0.00 O ATOM 724 NE2 GLN A 45 3.493 19.066 0.748 1.00 0.00 N ATOM 0 H GLN A 45 2.613 16.252 -0.222 1.00 0.00 H new ATOM 0 HA GLN A 45 0.076 15.773 1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.270 18.246 0.488 1.00 0.00 H new ATOM 0 HB3 GLN A 45 1.160 17.893 1.437 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.182 17.645 -1.133 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.956 18.870 -1.392 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.632 18.071 0.923 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.123 19.751 1.166 1.00 0.00 H new ATOM 733 N ASN A 46 -0.007 16.397 -2.190 1.00 0.00 N ATOM 734 CA ASN A 46 -0.911 16.272 -3.381 1.00 0.00 C ATOM 735 C ASN A 46 -1.314 14.805 -3.586 1.00 0.00 C ATOM 736 O ASN A 46 -2.389 14.505 -4.087 1.00 0.00 O ATOM 737 CB ASN A 46 -0.230 16.853 -4.637 1.00 0.00 C ATOM 738 CG ASN A 46 0.801 15.883 -5.210 1.00 0.00 C ATOM 739 OD1 ASN A 46 1.085 14.868 -4.616 1.00 0.00 O ATOM 740 ND2 ASN A 46 1.383 16.165 -6.348 1.00 0.00 N ATOM 0 H ASN A 46 0.932 16.740 -2.392 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.819 16.848 -3.202 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.984 17.073 -5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.255 17.796 -4.386 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.078 15.528 -6.737 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.141 17.022 -6.846 1.00 0.00 H new ATOM 747 N ALA A 47 -0.471 13.882 -3.186 1.00 0.00 N ATOM 748 CA ALA A 47 -0.817 12.439 -3.350 1.00 0.00 C ATOM 749 C ALA A 47 -1.642 12.025 -2.154 1.00 0.00 C ATOM 750 O ALA A 47 -2.482 11.150 -2.227 1.00 0.00 O ATOM 751 CB ALA A 47 0.454 11.586 -3.409 1.00 0.00 C ATOM 0 H ALA A 47 0.435 14.066 -2.756 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.371 12.293 -4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.183 10.537 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.065 11.902 -4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.020 11.711 -2.486 1.00 0.00 H new ATOM 757 N CYS A 48 -1.424 12.653 -1.048 1.00 0.00 N ATOM 758 CA CYS A 48 -2.213 12.310 0.145 1.00 0.00 C ATOM 759 C CYS A 48 -3.700 12.638 -0.094 1.00 0.00 C ATOM 760 O CYS A 48 -4.570 11.871 0.266 1.00 0.00 O ATOM 761 CB CYS A 48 -1.657 13.104 1.319 1.00 0.00 C ATOM 762 SG CYS A 48 -0.262 12.201 2.025 1.00 0.00 S ATOM 0 H CYS A 48 -0.732 13.391 -0.919 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.143 11.244 0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.338 14.093 0.989 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.430 13.254 2.073 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.158 12.483 3.290 1.00 0.00 H new ATOM 768 N ARG A 49 -4.016 13.750 -0.719 1.00 0.00 N ATOM 769 CA ARG A 49 -5.462 14.050 -0.972 1.00 0.00 C ATOM 770 C ARG A 49 -6.023 12.924 -1.833 1.00 0.00 C ATOM 771 O ARG A 49 -7.076 12.384 -1.560 1.00 0.00 O ATOM 772 CB ARG A 49 -5.617 15.388 -1.693 1.00 0.00 C ATOM 773 CG ARG A 49 -4.535 15.520 -2.761 1.00 0.00 C ATOM 774 CD ARG A 49 -4.776 16.790 -3.572 1.00 0.00 C ATOM 775 NE ARG A 49 -6.091 16.672 -4.267 1.00 0.00 N ATOM 776 CZ ARG A 49 -6.649 17.716 -4.839 1.00 0.00 C ATOM 777 NH1 ARG A 49 -6.033 18.876 -4.866 1.00 0.00 N ATOM 778 NH2 ARG A 49 -7.825 17.586 -5.397 1.00 0.00 N ATOM 0 H ARG A 49 -3.353 14.447 -1.057 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.001 14.119 -0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.604 15.454 -2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.540 16.208 -0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.550 15.554 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.547 14.649 -3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.771 17.662 -2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.976 16.932 -4.299 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.564 15.769 -4.299 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.111 18.974 -4.440 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.476 19.679 -5.313 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.298 16.682 -5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.269 18.388 -5.844 1.00 0.00 H new ATOM 792 N ASP A 50 -5.285 12.513 -2.837 1.00 0.00 N ATOM 793 CA ASP A 50 -5.727 11.364 -3.663 1.00 0.00 C ATOM 794 C ASP A 50 -5.026 10.154 -3.065 1.00 0.00 C ATOM 795 O ASP A 50 -3.942 9.780 -3.449 1.00 0.00 O ATOM 796 CB ASP A 50 -5.342 11.539 -5.141 1.00 0.00 C ATOM 797 CG ASP A 50 -3.852 11.874 -5.295 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.043 10.963 -5.228 1.00 0.00 O ATOM 799 OD2 ASP A 50 -3.550 13.038 -5.501 1.00 0.00 O ATOM 0 H ASP A 50 -4.396 12.929 -3.114 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.812 11.264 -3.651 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.569 10.624 -5.689 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.943 12.333 -5.584 1.00 0.00 H new ATOM 804 N GLY A 51 -5.635 9.570 -2.087 1.00 0.00 N ATOM 805 CA GLY A 51 -5.029 8.405 -1.382 1.00 0.00 C ATOM 806 C GLY A 51 -4.873 7.218 -2.339 1.00 0.00 C ATOM 807 O GLY A 51 -4.755 6.086 -1.916 1.00 0.00 O ATOM 0 H GLY A 51 -6.549 9.852 -1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.056 8.684 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.655 8.118 -0.537 1.00 0.00 H new ATOM 811 N ARG A 52 -4.836 7.476 -3.620 1.00 0.00 N ATOM 812 CA ARG A 52 -4.646 6.379 -4.604 1.00 0.00 C ATOM 813 C ARG A 52 -3.155 6.333 -4.916 1.00 0.00 C ATOM 814 O ARG A 52 -2.688 6.862 -5.911 1.00 0.00 O ATOM 815 CB ARG A 52 -5.413 6.734 -5.872 1.00 0.00 C ATOM 816 CG ARG A 52 -6.896 6.916 -5.548 1.00 0.00 C ATOM 817 CD ARG A 52 -7.653 7.138 -6.848 1.00 0.00 C ATOM 818 NE ARG A 52 -7.121 8.344 -7.538 1.00 0.00 N ATOM 819 CZ ARG A 52 -7.423 8.548 -8.785 1.00 0.00 C ATOM 820 NH1 ARG A 52 -8.147 7.665 -9.418 1.00 0.00 N ATOM 821 NH2 ARG A 52 -6.997 9.623 -9.396 1.00 0.00 N ATOM 0 H ARG A 52 -4.930 8.407 -4.026 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.999 5.421 -4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.011 7.650 -6.306 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.288 5.947 -6.616 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.281 6.037 -5.031 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.036 7.765 -4.879 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.553 6.265 -7.492 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.716 7.263 -6.644 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.526 9.004 -7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.468 6.827 -8.933 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.391 7.813 -10.397 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.427 10.303 -8.893 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.235 9.781 -10.375 1.00 0.00 H new ATOM 835 N SER A 53 -2.401 5.732 -4.046 1.00 0.00 N ATOM 836 CA SER A 53 -0.926 5.660 -4.232 1.00 0.00 C ATOM 837 C SER A 53 -0.531 4.526 -5.178 1.00 0.00 C ATOM 838 O SER A 53 -1.031 3.421 -5.076 1.00 0.00 O ATOM 839 CB SER A 53 -0.268 5.431 -2.870 1.00 0.00 C ATOM 840 OG SER A 53 1.131 5.228 -3.050 1.00 0.00 O ATOM 0 H SER A 53 -2.747 5.280 -3.200 1.00 0.00 H new ATOM 0 HA SER A 53 -0.589 6.598 -4.673 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.442 6.289 -2.221 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.713 4.565 -2.380 1.00 0.00 H new ATOM 0 HG SER A 53 1.597 6.087 -2.984 1.00 0.00 H new ATOM 846 N GLU A 54 0.417 4.770 -6.049 1.00 0.00 N ATOM 847 CA GLU A 54 0.916 3.690 -6.950 1.00 0.00 C ATOM 848 C GLU A 54 2.328 3.372 -6.448 1.00 0.00 C ATOM 849 O GLU A 54 3.112 4.263 -6.195 1.00 0.00 O ATOM 850 CB GLU A 54 0.998 4.157 -8.408 1.00 0.00 C ATOM 851 CG GLU A 54 -0.385 4.548 -8.966 1.00 0.00 C ATOM 852 CD GLU A 54 -0.673 6.035 -8.701 1.00 0.00 C ATOM 853 OE1 GLU A 54 -1.094 6.351 -7.602 1.00 0.00 O ATOM 854 OE2 GLU A 54 -0.476 6.824 -9.610 1.00 0.00 O ATOM 0 H GLU A 54 0.868 5.676 -6.174 1.00 0.00 H new ATOM 0 HA GLU A 54 0.245 2.831 -6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.672 5.011 -8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.425 3.362 -9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.420 4.350 -10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.157 3.934 -8.503 1.00 0.00 H new ATOM 861 N ILE A 55 2.670 2.134 -6.263 1.00 0.00 N ATOM 862 CA ILE A 55 4.035 1.815 -5.739 1.00 0.00 C ATOM 863 C ILE A 55 4.490 0.473 -6.267 1.00 0.00 C ATOM 864 O ILE A 55 3.694 -0.380 -6.618 1.00 0.00 O ATOM 865 CB ILE A 55 3.980 1.792 -4.215 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.260 1.137 -3.625 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.730 1.021 -3.773 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.499 1.575 -2.165 1.00 0.00 C ATOM 0 H ILE A 55 2.073 1.328 -6.448 1.00 0.00 H new ATOM 0 HA ILE A 55 4.746 2.572 -6.069 1.00 0.00 H new ATOM 0 HB ILE A 55 3.930 2.815 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.168 0.052 -3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.123 1.409 -4.233 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.682 0.999 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.841 1.514 -4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.778 0.001 -4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.402 1.098 -1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.616 2.658 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.647 1.279 -1.552 1.00 0.00 H new ATOM 880 N ALA A 56 5.774 0.285 -6.330 1.00 0.00 N ATOM 881 CA ALA A 56 6.312 -1.009 -6.855 1.00 0.00 C ATOM 882 C ALA A 56 7.527 -1.470 -6.058 1.00 0.00 C ATOM 883 O ALA A 56 8.123 -0.731 -5.300 1.00 0.00 O ATOM 884 CB ALA A 56 6.720 -0.833 -8.321 1.00 0.00 C ATOM 0 H ALA A 56 6.478 0.965 -6.043 1.00 0.00 H new ATOM 0 HA ALA A 56 5.529 -1.762 -6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.112 -1.775 -8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.851 -0.536 -8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.488 -0.063 -8.395 1.00 0.00 H new ATOM 890 N PHE A 57 7.897 -2.704 -6.250 1.00 0.00 N ATOM 891 CA PHE A 57 9.081 -3.256 -5.547 1.00 0.00 C ATOM 892 C PHE A 57 10.320 -3.008 -6.412 1.00 0.00 C ATOM 893 O PHE A 57 10.354 -3.376 -7.565 1.00 0.00 O ATOM 894 CB PHE A 57 8.893 -4.769 -5.384 1.00 0.00 C ATOM 895 CG PHE A 57 7.758 -5.056 -4.427 1.00 0.00 C ATOM 896 CD1 PHE A 57 7.942 -4.883 -3.052 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.529 -5.516 -4.920 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.896 -5.170 -2.164 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.487 -5.804 -4.040 1.00 0.00 C ATOM 900 CZ PHE A 57 5.664 -5.630 -2.663 1.00 0.00 C ATOM 0 H PHE A 57 7.423 -3.359 -6.872 1.00 0.00 H new ATOM 0 HA PHE A 57 9.198 -2.783 -4.572 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.685 -5.223 -6.353 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.814 -5.219 -5.013 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.890 -4.528 -2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.389 -5.647 -5.983 1.00 0.00 H new ATOM 0 HE1 PHE A 57 7.035 -5.038 -1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.542 -6.162 -4.421 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.854 -5.849 -1.983 1.00 0.00 H new ATOM 910 N VAL A 58 11.336 -2.390 -5.878 1.00 0.00 N ATOM 911 CA VAL A 58 12.559 -2.141 -6.692 1.00 0.00 C ATOM 912 C VAL A 58 13.142 -3.470 -7.179 1.00 0.00 C ATOM 913 O VAL A 58 13.590 -3.597 -8.299 1.00 0.00 O ATOM 914 CB VAL A 58 13.595 -1.411 -5.838 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.909 -1.288 -6.620 1.00 0.00 C ATOM 916 CG2 VAL A 58 13.079 -0.007 -5.525 1.00 0.00 C ATOM 0 H VAL A 58 11.373 -2.048 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 58 12.298 -1.529 -7.555 1.00 0.00 H new ATOM 0 HB VAL A 58 13.765 -1.967 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.648 -0.767 -6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.279 -2.283 -6.868 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.735 -0.726 -7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.811 0.522 -4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.919 0.538 -6.455 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.138 -0.078 -4.980 1.00 0.00 H new ATOM 926 N ALA A 59 13.151 -4.464 -6.329 1.00 0.00 N ATOM 927 CA ALA A 59 13.717 -5.787 -6.715 1.00 0.00 C ATOM 928 C ALA A 59 12.951 -6.385 -7.909 1.00 0.00 C ATOM 929 O ALA A 59 13.535 -7.018 -8.771 1.00 0.00 O ATOM 930 CB ALA A 59 13.603 -6.741 -5.526 1.00 0.00 C ATOM 0 H ALA A 59 12.787 -4.413 -5.377 1.00 0.00 H new ATOM 0 HA ALA A 59 14.760 -5.651 -7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.015 -7.713 -5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.158 -6.336 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.555 -6.856 -5.251 1.00 0.00 H new ATOM 936 N THR A 60 11.646 -6.225 -7.935 1.00 0.00 N ATOM 937 CA THR A 60 10.806 -6.826 -9.037 1.00 0.00 C ATOM 938 C THR A 60 10.085 -5.730 -9.841 1.00 0.00 C ATOM 939 O THR A 60 9.686 -4.715 -9.317 1.00 0.00 O ATOM 940 CB THR A 60 9.746 -7.744 -8.401 1.00 0.00 C ATOM 941 OG1 THR A 60 10.371 -8.582 -7.438 1.00 0.00 O ATOM 942 CG2 THR A 60 9.101 -8.623 -9.477 1.00 0.00 C ATOM 0 H THR A 60 11.119 -5.701 -7.237 1.00 0.00 H new ATOM 0 HA THR A 60 11.458 -7.384 -9.710 1.00 0.00 H new ATOM 0 HB THR A 60 8.980 -7.130 -7.927 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.090 -8.313 -6.539 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.353 -9.269 -9.018 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.625 -7.991 -10.226 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.866 -9.236 -9.953 1.00 0.00 H new ATOM 950 N GLY A 61 9.890 -5.945 -11.114 1.00 0.00 N ATOM 951 CA GLY A 61 9.170 -4.933 -11.937 1.00 0.00 C ATOM 952 C GLY A 61 7.675 -4.996 -11.592 1.00 0.00 C ATOM 953 O GLY A 61 6.852 -4.347 -12.201 1.00 0.00 O ATOM 0 H GLY A 61 10.198 -6.776 -11.618 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.562 -3.936 -11.739 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.322 -5.130 -12.998 1.00 0.00 H new ATOM 957 N THR A 62 7.323 -5.774 -10.605 1.00 0.00 N ATOM 958 CA THR A 62 5.892 -5.873 -10.214 1.00 0.00 C ATOM 959 C THR A 62 5.443 -4.540 -9.661 1.00 0.00 C ATOM 960 O THR A 62 6.214 -3.830 -9.045 1.00 0.00 O ATOM 961 CB THR A 62 5.719 -6.933 -9.128 1.00 0.00 C ATOM 962 OG1 THR A 62 6.026 -8.207 -9.669 1.00 0.00 O ATOM 963 CG2 THR A 62 4.274 -6.916 -8.611 1.00 0.00 C ATOM 0 H THR A 62 7.965 -6.344 -10.054 1.00 0.00 H new ATOM 0 HA THR A 62 5.300 -6.146 -11.087 1.00 0.00 H new ATOM 0 HB THR A 62 6.392 -6.720 -8.297 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.918 -8.891 -8.976 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.156 -7.674 -7.837 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.048 -5.934 -8.195 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.591 -7.128 -9.433 1.00 0.00 H new ATOM 971 N ASN A 63 4.200 -4.195 -9.856 1.00 0.00 N ATOM 972 CA ASN A 63 3.689 -2.900 -9.319 1.00 0.00 C ATOM 973 C ASN A 63 2.293 -3.125 -8.724 1.00 0.00 C ATOM 974 O ASN A 63 1.478 -3.830 -9.290 1.00 0.00 O ATOM 975 CB ASN A 63 3.629 -1.861 -10.451 1.00 0.00 C ATOM 976 CG ASN A 63 2.736 -2.370 -11.587 1.00 0.00 C ATOM 977 OD1 ASN A 63 3.217 -2.722 -12.646 1.00 0.00 O ATOM 978 ND2 ASN A 63 1.446 -2.409 -11.414 1.00 0.00 N ATOM 0 H ASN A 63 3.515 -4.754 -10.364 1.00 0.00 H new ATOM 0 HA ASN A 63 4.355 -2.528 -8.541 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.241 -0.917 -10.068 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.633 -1.664 -10.828 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.840 -2.735 -12.167 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.041 -2.114 -10.525 1.00 0.00 H new ATOM 985 N LEU A 64 2.010 -2.537 -7.581 1.00 0.00 N ATOM 986 CA LEU A 64 0.661 -2.727 -6.941 1.00 0.00 C ATOM 987 C LEU A 64 0.010 -1.366 -6.669 1.00 0.00 C ATOM 988 O LEU A 64 0.582 -0.497 -6.034 1.00 0.00 O ATOM 989 CB LEU A 64 0.820 -3.458 -5.593 1.00 0.00 C ATOM 990 CG LEU A 64 1.481 -4.833 -5.787 1.00 0.00 C ATOM 991 CD1 LEU A 64 1.675 -5.519 -4.412 1.00 0.00 C ATOM 992 CD2 LEU A 64 0.598 -5.723 -6.682 1.00 0.00 C ATOM 0 H LEU A 64 2.652 -1.936 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 64 0.039 -3.311 -7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.423 -2.853 -4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.157 -3.583 -5.125 1.00 0.00 H new ATOM 0 HG LEU A 64 2.451 -4.693 -6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.144 -6.493 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.312 -4.898 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.706 -5.650 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.075 -6.694 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.377 -5.858 -6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.470 -5.248 -7.654 1.00 0.00 H new ATOM 1004 N SER A 65 -1.206 -1.191 -7.111 1.00 0.00 N ATOM 1005 CA SER A 65 -1.933 0.083 -6.857 1.00 0.00 C ATOM 1006 C SER A 65 -2.832 -0.138 -5.638 1.00 0.00 C ATOM 1007 O SER A 65 -3.322 -1.231 -5.425 1.00 0.00 O ATOM 1008 CB SER A 65 -2.791 0.426 -8.079 1.00 0.00 C ATOM 1009 OG SER A 65 -3.700 -0.638 -8.328 1.00 0.00 O ATOM 0 H SER A 65 -1.731 -1.885 -7.643 1.00 0.00 H new ATOM 0 HA SER A 65 -1.237 0.902 -6.676 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.337 1.353 -7.906 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.156 0.588 -8.950 1.00 0.00 H new ATOM 0 HG SER A 65 -4.252 -0.421 -9.108 1.00 0.00 H new ATOM 1015 N LEU A 66 -3.034 0.858 -4.819 1.00 0.00 N ATOM 1016 CA LEU A 66 -3.894 0.644 -3.611 1.00 0.00 C ATOM 1017 C LEU A 66 -4.582 1.959 -3.203 1.00 0.00 C ATOM 1018 O LEU A 66 -4.178 3.042 -3.592 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.045 0.060 -2.448 1.00 0.00 C ATOM 1020 CG LEU A 66 -1.577 0.503 -2.549 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.455 1.962 -2.131 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -0.726 -0.362 -1.613 1.00 0.00 C ATOM 0 H LEU A 66 -2.650 1.797 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.675 -0.077 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.460 0.385 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.100 -1.028 -2.466 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.231 0.389 -3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.413 2.275 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.066 2.581 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.798 2.076 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.317 -0.053 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.075 -0.241 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.814 -1.409 -1.905 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.641 1.865 -2.426 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.375 3.111 -2.006 1.00 0.00 C ATOM 1036 C GLN A 67 -6.800 2.999 -0.527 1.00 0.00 C ATOM 1037 O GLN A 67 -7.592 2.159 -0.159 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.646 3.250 -2.846 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.320 3.081 -4.328 1.00 0.00 C ATOM 1040 CD GLN A 67 -8.603 3.223 -5.155 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -9.632 2.695 -4.795 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -8.573 3.926 -6.254 1.00 0.00 N ATOM 0 H GLN A 67 -6.026 0.991 -2.068 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.718 3.970 -2.145 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.377 2.502 -2.539 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.099 4.227 -2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.591 3.829 -4.638 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.869 2.104 -4.503 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.704 4.369 -6.553 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.419 4.033 -6.814 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.281 3.858 0.311 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.650 3.828 1.773 1.00 0.00 C ATOM 1053 C PHE A 68 -7.806 4.803 2.063 1.00 0.00 C ATOM 1054 O PHE A 68 -8.921 4.398 2.299 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.412 4.196 2.610 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.534 5.130 1.816 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.765 4.623 0.769 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.476 6.490 2.132 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -2.939 5.477 0.033 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.643 7.348 1.394 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.874 6.837 0.351 1.00 0.00 C ATOM 0 H PHE A 68 -5.614 4.585 0.052 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.985 2.826 2.040 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.717 4.670 3.543 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.858 3.296 2.876 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.808 3.571 0.527 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.071 6.882 2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.350 5.086 -0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.599 8.400 1.635 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.227 7.492 -0.213 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.540 6.091 2.051 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.620 7.101 2.325 1.00 0.00 C ATOM 1073 C PHE A 69 -8.391 8.342 1.461 1.00 0.00 C ATOM 1074 O PHE A 69 -7.862 9.338 1.924 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.597 7.508 3.808 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.589 8.643 4.048 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -10.950 8.461 3.755 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.148 9.875 4.561 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -11.860 9.510 3.968 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.059 10.914 4.773 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.414 10.734 4.478 1.00 0.00 C ATOM 0 H PHE A 69 -6.619 6.488 1.863 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.587 6.658 2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.851 6.652 4.433 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.593 7.824 4.092 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.297 7.515 3.366 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.103 10.019 4.792 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.906 9.371 3.738 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.715 11.859 5.166 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.115 11.539 4.644 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.772 8.292 0.214 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.586 9.431 -0.708 1.00 0.00 C ATOM 1093 C PRO A 70 -9.710 10.452 -0.563 1.00 0.00 C ATOM 1094 O PRO A 70 -10.843 10.105 -0.299 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.614 8.761 -2.080 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.583 7.635 -1.909 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.427 7.159 -0.457 1.00 0.00 C ATOM 0 HA PRO A 70 -7.671 9.993 -0.522 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.939 9.454 -2.857 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.627 8.399 -2.368 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.603 7.965 -2.104 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.370 6.827 -2.609 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.392 6.930 -0.005 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.823 6.254 -0.395 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.402 11.707 -0.718 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.460 12.740 -0.570 1.00 0.00 C ATOM 1107 C ALA A 71 -11.630 12.411 -1.496 1.00 0.00 C ATOM 1108 O ALA A 71 -12.757 12.361 -1.058 1.00 0.00 O ATOM 1109 CB ALA A 71 -9.906 14.112 -0.962 1.00 0.00 C ATOM 0 H ALA A 71 -8.471 12.060 -0.939 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.793 12.755 0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.687 14.865 -0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.065 14.363 -0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.571 14.086 -1.999 1.00 0.00 H new ATOM 1115 N SER A 72 -11.365 12.187 -2.756 1.00 0.00 N ATOM 1116 CA SER A 72 -12.470 11.863 -3.705 1.00 0.00 C ATOM 1117 C SER A 72 -11.910 11.660 -5.110 1.00 0.00 C ATOM 1118 O SER A 72 -10.859 12.173 -5.461 1.00 0.00 O ATOM 1119 CB SER A 72 -13.468 13.019 -3.760 1.00 0.00 C ATOM 1120 OG SER A 72 -14.462 12.709 -4.720 1.00 0.00 O ATOM 0 H SER A 72 -10.433 12.214 -3.168 1.00 0.00 H new ATOM 0 HA SER A 72 -12.961 10.954 -3.358 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.922 13.174 -2.781 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.960 13.946 -4.026 1.00 0.00 H new ATOM 0 HG SER A 72 -15.112 13.441 -4.766 1.00 0.00 H new ATOM 1261 N PRO A 81 -5.829 17.806 2.280 1.00 0.00 N ATOM 1262 CA PRO A 81 -5.215 16.429 2.301 1.00 0.00 C ATOM 1263 C PRO A 81 -5.934 15.433 3.224 1.00 0.00 C ATOM 1264 O PRO A 81 -6.963 15.724 3.803 1.00 0.00 O ATOM 1265 CB PRO A 81 -3.794 16.693 2.821 1.00 0.00 C ATOM 1266 CG PRO A 81 -3.930 17.905 3.693 1.00 0.00 C ATOM 1267 CD PRO A 81 -5.015 18.774 3.045 1.00 0.00 C ATOM 0 HA PRO A 81 -5.268 15.964 1.317 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.413 15.841 3.383 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.098 16.871 2.001 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.210 17.625 4.709 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.986 18.445 3.760 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.611 19.295 3.794 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.583 19.536 2.396 1.00 0.00 H new ATOM 1275 N SER A 82 -5.363 14.266 3.384 1.00 0.00 N ATOM 1276 CA SER A 82 -5.965 13.262 4.287 1.00 0.00 C ATOM 1277 C SER A 82 -5.422 13.517 5.682 1.00 0.00 C ATOM 1278 O SER A 82 -4.237 13.416 5.929 1.00 0.00 O ATOM 1279 CB SER A 82 -5.577 11.853 3.841 1.00 0.00 C ATOM 1280 OG SER A 82 -5.615 10.993 4.971 1.00 0.00 O ATOM 0 H SER A 82 -4.502 13.972 2.922 1.00 0.00 H new ATOM 0 HA SER A 82 -7.052 13.342 4.270 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.263 11.497 3.072 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.579 11.857 3.402 1.00 0.00 H new ATOM 0 HG SER A 82 -5.369 10.084 4.699 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.278 13.852 6.594 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.800 14.114 7.970 1.00 0.00 C ATOM 1288 C ARG A 83 -5.081 12.868 8.487 1.00 0.00 C ATOM 1289 O ARG A 83 -4.103 12.948 9.201 1.00 0.00 O ATOM 1290 CB ARG A 83 -6.996 14.442 8.877 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.536 14.619 10.336 1.00 0.00 C ATOM 1292 CD ARG A 83 -5.477 15.718 10.428 1.00 0.00 C ATOM 1293 NE ARG A 83 -5.342 16.150 11.848 1.00 0.00 N ATOM 1294 CZ ARG A 83 -4.347 16.909 12.221 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -3.452 17.283 11.356 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -4.262 17.309 13.464 1.00 0.00 N ATOM 0 H ARG A 83 -7.282 13.956 6.449 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.114 14.961 7.971 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.483 15.353 8.530 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.735 13.643 8.817 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.389 14.873 10.965 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.130 13.680 10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.521 15.351 10.055 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.759 16.565 9.803 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.034 15.850 12.535 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.526 16.984 10.384 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.676 17.876 11.649 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.972 17.028 14.140 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.485 17.902 13.757 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.573 11.713 8.129 1.00 0.00 N ATOM 1311 CA GLU A 84 -4.947 10.444 8.597 1.00 0.00 C ATOM 1312 C GLU A 84 -3.489 10.381 8.132 1.00 0.00 C ATOM 1313 O GLU A 84 -2.668 9.751 8.760 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.703 9.255 8.008 1.00 0.00 C ATOM 1315 CG GLU A 84 -7.149 9.323 8.481 1.00 0.00 C ATOM 1316 CD GLU A 84 -7.960 8.185 7.866 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -7.574 7.690 6.820 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -8.959 7.825 8.464 1.00 0.00 O ATOM 0 H GLU A 84 -6.388 11.594 7.528 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.987 10.410 9.686 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.659 9.279 6.919 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.244 8.319 8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.187 9.260 9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.586 10.282 8.202 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.165 10.988 7.019 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.754 10.912 6.530 1.00 0.00 C ATOM 1327 C TYR A 85 -0.842 11.743 7.439 1.00 0.00 C ATOM 1328 O TYR A 85 0.270 11.357 7.740 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.696 11.364 5.041 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.829 12.600 4.807 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.569 12.530 4.936 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.427 13.803 4.393 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.357 13.660 4.645 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.638 14.925 4.116 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.749 14.850 4.240 1.00 0.00 C ATOM 1336 OH TYR A 85 1.519 15.955 3.962 1.00 0.00 O ATOM 0 H TYR A 85 -3.805 11.526 6.435 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.392 9.885 6.572 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.313 10.542 4.436 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.708 11.570 4.694 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.038 11.612 5.258 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.500 13.862 4.288 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.432 13.606 4.735 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.103 15.849 3.806 1.00 0.00 H new ATOM 0 HH TYR A 85 0.940 16.698 3.693 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.293 12.877 7.891 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.431 13.716 8.777 1.00 0.00 C ATOM 1348 C VAL A 86 -0.612 13.324 10.240 1.00 0.00 C ATOM 1349 O VAL A 86 0.000 13.898 11.116 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.749 15.200 8.578 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.231 16.070 9.394 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.620 15.526 7.091 1.00 0.00 C ATOM 0 H VAL A 86 -2.216 13.261 7.689 1.00 0.00 H new ATOM 0 HA VAL A 86 0.610 13.542 8.505 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.762 15.410 8.922 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.006 17.123 9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.140 15.825 10.452 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.251 15.877 9.063 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.843 16.581 6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.397 15.315 6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.321 14.915 6.522 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.409 12.320 10.525 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.555 11.891 11.956 1.00 0.00 C ATOM 1364 C ASP A 87 -0.514 10.794 12.197 1.00 0.00 C ATOM 1365 O ASP A 87 -0.389 10.254 13.279 1.00 0.00 O ATOM 1366 CB ASP A 87 -2.976 11.357 12.238 1.00 0.00 C ATOM 1367 CG ASP A 87 -3.185 9.973 11.619 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.267 9.462 11.013 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -4.273 9.443 11.774 1.00 0.00 O ATOM 0 H ASP A 87 -1.954 11.789 9.846 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.399 12.737 12.625 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.140 11.304 13.314 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.714 12.052 11.837 1.00 0.00 H new ATOM 1374 N LEU A 88 0.238 10.476 11.169 1.00 0.00 N ATOM 1375 CA LEU A 88 1.305 9.436 11.280 1.00 0.00 C ATOM 1376 C LEU A 88 2.596 10.037 10.748 1.00 0.00 C ATOM 1377 O LEU A 88 3.665 9.471 10.874 1.00 0.00 O ATOM 1378 CB LEU A 88 0.910 8.148 10.509 1.00 0.00 C ATOM 1379 CG LEU A 88 0.193 8.472 9.171 1.00 0.00 C ATOM 1380 CD1 LEU A 88 1.232 8.568 8.046 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -0.800 7.349 8.825 1.00 0.00 C ATOM 0 H LEU A 88 0.154 10.901 10.245 1.00 0.00 H new ATOM 0 HA LEU A 88 1.440 9.140 12.320 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.803 7.557 10.308 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.257 7.537 11.132 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.340 9.417 9.275 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.730 8.795 7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.946 9.359 8.277 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.759 7.618 7.955 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.300 7.582 7.885 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.263 6.406 8.726 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.542 7.262 9.619 1.00 0.00 H new ATOM 1393 N GLU A 89 2.502 11.210 10.191 1.00 0.00 N ATOM 1394 CA GLU A 89 3.710 11.888 9.682 1.00 0.00 C ATOM 1395 C GLU A 89 4.384 12.546 10.875 1.00 0.00 C ATOM 1396 O GLU A 89 5.589 12.607 10.979 1.00 0.00 O ATOM 1397 CB GLU A 89 3.305 12.964 8.673 1.00 0.00 C ATOM 1398 CG GLU A 89 4.557 13.492 7.963 1.00 0.00 C ATOM 1399 CD GLU A 89 4.159 14.606 6.997 1.00 0.00 C ATOM 1400 OE1 GLU A 89 3.158 15.252 7.259 1.00 0.00 O ATOM 1401 OE2 GLU A 89 4.865 14.804 6.023 1.00 0.00 O ATOM 0 H GLU A 89 1.631 11.727 10.068 1.00 0.00 H new ATOM 0 HA GLU A 89 4.378 11.181 9.191 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.607 12.551 7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.790 13.779 9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.272 13.868 8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.050 12.684 7.421 1.00 0.00 H new ATOM 1408 N ARG A 90 3.590 13.036 11.789 1.00 0.00 N ATOM 1409 CA ARG A 90 4.134 13.689 13.009 1.00 0.00 C ATOM 1410 C ARG A 90 4.773 12.637 13.928 1.00 0.00 C ATOM 1411 O ARG A 90 5.587 12.953 14.763 1.00 0.00 O ATOM 1412 CB ARG A 90 2.990 14.403 13.746 1.00 0.00 C ATOM 1413 CG ARG A 90 2.330 15.449 12.829 1.00 0.00 C ATOM 1414 CD ARG A 90 3.263 16.643 12.611 1.00 0.00 C ATOM 1415 NE ARG A 90 2.491 17.737 11.969 1.00 0.00 N ATOM 1416 CZ ARG A 90 2.988 18.945 11.942 1.00 0.00 C ATOM 1417 NH1 ARG A 90 4.125 19.195 12.528 1.00 0.00 N ATOM 1418 NH2 ARG A 90 2.338 19.895 11.340 1.00 0.00 N ATOM 0 H ARG A 90 2.572 13.010 11.738 1.00 0.00 H new ATOM 0 HA ARG A 90 4.897 14.414 12.726 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.247 13.674 14.070 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.374 14.888 14.644 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.083 14.994 11.870 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.394 15.789 13.272 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.676 16.979 13.562 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.105 16.355 11.982 1.00 0.00 H new ATOM 0 HE ARG A 90 1.580 17.547 11.552 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.627 18.448 13.008 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.513 20.138 12.507 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.444 19.696 10.891 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.722 20.840 11.316 1.00 0.00 H new ATOM 1432 N GLU A 91 4.382 11.396 13.808 1.00 0.00 N ATOM 1433 CA GLU A 91 4.941 10.354 14.720 1.00 0.00 C ATOM 1434 C GLU A 91 6.375 9.963 14.320 1.00 0.00 C ATOM 1435 O GLU A 91 7.312 10.702 14.561 1.00 0.00 O ATOM 1436 CB GLU A 91 4.019 9.128 14.690 1.00 0.00 C ATOM 1437 CG GLU A 91 4.412 8.152 15.806 1.00 0.00 C ATOM 1438 CD GLU A 91 4.056 8.753 17.174 1.00 0.00 C ATOM 1439 OE1 GLU A 91 3.256 9.676 17.208 1.00 0.00 O ATOM 1440 OE2 GLU A 91 4.585 8.278 18.170 1.00 0.00 O ATOM 0 H GLU A 91 3.705 11.060 13.123 1.00 0.00 H new ATOM 0 HA GLU A 91 4.991 10.758 15.731 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.982 9.439 14.815 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.089 8.633 13.721 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.894 7.203 15.670 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.480 7.942 15.758 1.00 0.00 H new ATOM 1447 N ALA A 92 6.562 8.801 13.741 1.00 0.00 N ATOM 1448 CA ALA A 92 7.937 8.354 13.368 1.00 0.00 C ATOM 1449 C ALA A 92 8.577 9.348 12.421 1.00 0.00 C ATOM 1450 O ALA A 92 9.727 9.214 12.049 1.00 0.00 O ATOM 1451 CB ALA A 92 7.877 6.995 12.665 1.00 0.00 C ATOM 0 H ALA A 92 5.818 8.143 13.511 1.00 0.00 H new ATOM 0 HA ALA A 92 8.526 8.279 14.282 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.885 6.679 12.398 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.431 6.259 13.334 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.272 7.079 11.762 1.00 0.00 H new ATOM 1457 N GLY A 93 7.848 10.327 11.990 1.00 0.00 N ATOM 1458 CA GLY A 93 8.440 11.289 11.029 1.00 0.00 C ATOM 1459 C GLY A 93 8.431 10.626 9.655 1.00 0.00 C ATOM 1460 O GLY A 93 9.231 10.942 8.800 1.00 0.00 O ATOM 0 H GLY A 93 6.879 10.504 12.256 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.867 12.216 11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.457 11.549 11.323 1.00 0.00 H new ATOM 1464 N LYS A 94 7.532 9.687 9.450 1.00 0.00 N ATOM 1465 CA LYS A 94 7.465 8.979 8.136 1.00 0.00 C ATOM 1466 C LYS A 94 5.996 8.854 7.727 1.00 0.00 C ATOM 1467 O LYS A 94 5.113 8.926 8.559 1.00 0.00 O ATOM 1468 CB LYS A 94 8.043 7.573 8.310 1.00 0.00 C ATOM 1469 CG LYS A 94 9.406 7.651 9.001 1.00 0.00 C ATOM 1470 CD LYS A 94 10.062 6.268 8.961 1.00 0.00 C ATOM 1471 CE LYS A 94 11.363 6.275 9.767 1.00 0.00 C ATOM 1472 NZ LYS A 94 12.025 4.938 9.659 1.00 0.00 N ATOM 0 H LYS A 94 6.844 9.384 10.139 1.00 0.00 H new ATOM 0 HA LYS A 94 8.025 9.528 7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.361 6.961 8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.145 7.090 7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.040 8.384 8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.287 7.982 10.033 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.379 5.522 9.367 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.267 5.985 7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.029 7.053 9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.155 6.506 10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.909 4.943 10.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.390 4.205 10.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.237 4.735 8.661 1.00 0.00 H new ATOM 1486 N VAL A 95 5.719 8.639 6.465 1.00 0.00 N ATOM 1487 CA VAL A 95 4.307 8.479 6.014 1.00 0.00 C ATOM 1488 C VAL A 95 4.131 7.079 5.486 1.00 0.00 C ATOM 1489 O VAL A 95 4.883 6.636 4.641 1.00 0.00 O ATOM 1490 CB VAL A 95 4.019 9.472 4.894 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.594 9.263 4.370 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.154 10.891 5.449 1.00 0.00 C ATOM 0 H VAL A 95 6.417 8.567 5.725 1.00 0.00 H new ATOM 0 HA VAL A 95 3.626 8.660 6.845 1.00 0.00 H new ATOM 0 HB VAL A 95 4.725 9.321 4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.393 9.975 3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.493 8.248 3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.882 9.417 5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.950 11.612 4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.441 11.033 6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.167 11.040 5.824 1.00 0.00 H new ATOM 1502 N TYR A 96 3.151 6.362 5.963 1.00 0.00 N ATOM 1503 CA TYR A 96 2.961 4.978 5.456 1.00 0.00 C ATOM 1504 C TYR A 96 1.490 4.623 5.371 1.00 0.00 C ATOM 1505 O TYR A 96 0.641 5.266 5.954 1.00 0.00 O ATOM 1506 CB TYR A 96 3.696 3.988 6.358 1.00 0.00 C ATOM 1507 CG TYR A 96 3.072 3.911 7.729 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.354 4.898 8.678 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.243 2.834 8.056 1.00 0.00 C ATOM 1510 CE1 TYR A 96 2.798 4.816 9.959 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.683 2.742 9.328 1.00 0.00 C ATOM 1512 CZ TYR A 96 1.959 3.734 10.288 1.00 0.00 C ATOM 1513 OH TYR A 96 1.398 3.656 11.546 1.00 0.00 O ATOM 0 H TYR A 96 2.484 6.670 6.671 1.00 0.00 H new ATOM 0 HA TYR A 96 3.377 4.922 4.450 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.686 3.000 5.898 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.740 4.286 6.450 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.001 5.724 8.422 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.036 2.071 7.320 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.011 5.579 10.693 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.039 1.912 9.577 1.00 0.00 H new ATOM 0 HH TYR A 96 0.845 2.849 11.608 1.00 0.00 H new ATOM 1523 N LEU A 97 1.194 3.594 4.622 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.219 3.157 4.452 1.00 0.00 C ATOM 1525 C LEU A 97 -0.322 1.636 4.620 1.00 0.00 C ATOM 1526 O LEU A 97 0.576 0.889 4.254 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.700 3.543 3.038 1.00 0.00 C ATOM 1528 CG LEU A 97 0.466 3.410 2.023 1.00 0.00 C ATOM 1529 CD1 LEU A 97 -0.060 2.953 0.654 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.171 4.760 1.846 1.00 0.00 C ATOM 0 H LEU A 97 1.880 3.033 4.116 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.839 3.644 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.528 2.900 2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.076 4.566 3.040 1.00 0.00 H new ATOM 0 HG LEU A 97 1.167 2.671 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.772 2.865 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.551 1.985 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.775 3.684 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.987 4.653 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.458 5.497 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.569 5.091 2.805 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.440 1.178 5.140 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.674 -0.292 5.315 1.00 0.00 C ATOM 1544 C LYS A 98 -3.094 -0.619 4.854 1.00 0.00 C ATOM 1545 O LYS A 98 -4.042 0.028 5.239 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.488 -0.680 6.789 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.607 -0.104 7.646 1.00 0.00 C ATOM 1548 CD LYS A 98 -2.247 -0.350 9.112 1.00 0.00 C ATOM 1549 CE LYS A 98 -3.427 -0.029 10.021 1.00 0.00 C ATOM 1550 NZ LYS A 98 -4.598 -0.882 9.665 1.00 0.00 N ATOM 0 H LYS A 98 -2.209 1.770 5.454 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.957 -0.857 4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.473 -1.766 6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.525 -0.315 7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.724 0.963 7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.558 -0.578 7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.950 -1.390 9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.391 0.265 9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.150 -0.195 11.062 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.693 1.024 9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.219 -0.983 10.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.127 -0.438 8.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.265 -1.821 9.366 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.258 -1.619 4.020 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.627 -1.954 3.538 1.00 0.00 C ATOM 1566 C ALA A 99 -4.686 -3.422 3.092 1.00 0.00 C ATOM 1567 O ALA A 99 -3.712 -3.945 2.593 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.974 -1.059 2.340 1.00 0.00 C ATOM 0 H ALA A 99 -2.509 -2.209 3.658 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.337 -1.793 4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.975 -1.300 1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.940 -0.013 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.254 -1.227 1.540 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.827 -4.082 3.221 1.00 0.00 N ATOM 1575 CA PRO A 100 -5.984 -5.498 2.770 1.00 0.00 C ATOM 1576 C PRO A 100 -6.477 -5.585 1.305 1.00 0.00 C ATOM 1577 O PRO A 100 -7.639 -5.382 1.036 1.00 0.00 O ATOM 1578 CB PRO A 100 -7.058 -6.008 3.721 1.00 0.00 C ATOM 1579 CG PRO A 100 -7.976 -4.838 3.885 1.00 0.00 C ATOM 1580 CD PRO A 100 -7.087 -3.584 3.826 1.00 0.00 C ATOM 0 HA PRO A 100 -5.052 -6.063 2.790 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.580 -6.871 3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.632 -6.319 4.675 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.728 -4.820 3.096 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.510 -4.892 4.834 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.540 -2.799 3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.918 -3.165 4.818 1.00 0.00 H new ATOM 1588 N MET A 101 -5.608 -5.875 0.359 1.00 0.00 N ATOM 1589 CA MET A 101 -6.050 -5.950 -1.089 1.00 0.00 C ATOM 1590 C MET A 101 -6.173 -7.408 -1.577 1.00 0.00 C ATOM 1591 O MET A 101 -5.325 -8.224 -1.302 1.00 0.00 O ATOM 1592 CB MET A 101 -5.023 -5.218 -1.966 1.00 0.00 C ATOM 1593 CG MET A 101 -5.420 -5.370 -3.436 1.00 0.00 C ATOM 1594 SD MET A 101 -4.493 -4.191 -4.441 1.00 0.00 S ATOM 1595 CE MET A 101 -5.417 -2.705 -3.974 1.00 0.00 C ATOM 0 H MET A 101 -4.618 -6.063 0.519 1.00 0.00 H new ATOM 0 HA MET A 101 -7.032 -5.482 -1.165 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.981 -4.163 -1.695 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.027 -5.629 -1.801 1.00 0.00 H new ATOM 0 HG2 MET A 101 -5.220 -6.387 -3.774 1.00 0.00 H new ATOM 0 HG3 MET A 101 -6.490 -5.200 -3.553 1.00 0.00 H new ATOM 0 HE1 MET A 101 -5.543 -2.066 -4.848 1.00 0.00 H new ATOM 0 HE2 MET A 101 -6.396 -2.991 -3.589 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.869 -2.163 -3.204 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.218 -7.733 -2.322 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.374 -9.128 -2.839 1.00 0.00 C ATOM 1607 C ILE A 102 -6.852 -9.245 -4.268 1.00 0.00 C ATOM 1608 O ILE A 102 -7.138 -8.432 -5.127 1.00 0.00 O ATOM 1609 CB ILE A 102 -8.859 -9.541 -2.786 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -9.742 -8.365 -3.228 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.230 -9.932 -1.355 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.214 -8.785 -3.219 1.00 0.00 C ATOM 0 H ILE A 102 -7.962 -7.088 -2.589 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.788 -9.795 -2.207 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.017 -10.388 -3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.593 -7.516 -2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.454 -8.039 -4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.280 -10.224 -1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.609 -10.768 -1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.066 -9.083 -0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -11.834 -7.945 -3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.358 -9.620 -3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.499 -9.089 -2.212 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.132 -10.299 -4.529 1.00 0.00 N ATOM 1625 CA LEU A 103 -5.621 -10.573 -5.901 1.00 0.00 C ATOM 1626 C LEU A 103 -6.456 -11.742 -6.387 1.00 0.00 C ATOM 1627 O LEU A 103 -7.309 -12.211 -5.667 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.137 -10.995 -5.897 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.187 -9.872 -5.402 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -3.669 -8.489 -5.860 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -3.083 -9.909 -3.867 1.00 0.00 C ATOM 0 H LEU A 103 -5.870 -10.998 -3.833 1.00 0.00 H new ATOM 0 HA LEU A 103 -5.692 -9.682 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.016 -11.872 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -3.847 -11.290 -6.905 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.203 -10.048 -5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.981 -7.725 -5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.703 -8.458 -6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.665 -8.300 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.414 -9.118 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.071 -9.760 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.690 -10.876 -3.552 1.00 0.00 H new ATOM 1643 N ASN A 104 -6.247 -12.215 -7.576 1.00 0.00 N ATOM 1644 CA ASN A 104 -7.078 -13.359 -8.044 1.00 0.00 C ATOM 1645 C ASN A 104 -6.804 -14.556 -7.148 1.00 0.00 C ATOM 1646 O ASN A 104 -6.178 -15.527 -7.536 1.00 0.00 O ATOM 1647 CB ASN A 104 -6.702 -13.700 -9.476 1.00 0.00 C ATOM 1648 CG ASN A 104 -7.756 -14.623 -10.072 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -8.931 -14.511 -9.768 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -7.382 -15.547 -10.916 1.00 0.00 N ATOM 0 H ASN A 104 -5.551 -11.870 -8.237 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.135 -13.097 -8.002 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.624 -12.789 -10.069 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.725 -14.182 -9.502 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -8.074 -16.177 -11.322 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.398 -15.639 -11.169 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.267 -14.478 -5.940 1.00 0.00 N ATOM 1658 CA GLY A 105 -7.052 -15.575 -4.968 1.00 0.00 C ATOM 1659 C GLY A 105 -7.752 -15.210 -3.650 1.00 0.00 C ATOM 1660 O GLY A 105 -8.915 -15.496 -3.455 1.00 0.00 O ATOM 0 H GLY A 105 -7.796 -13.685 -5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.450 -16.511 -5.360 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.986 -15.727 -4.800 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.039 -14.556 -2.756 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.638 -14.138 -1.451 1.00 0.00 C ATOM 1666 C VAL A 106 -6.941 -12.851 -0.972 1.00 0.00 C ATOM 1667 O VAL A 106 -6.076 -12.325 -1.639 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.492 -15.261 -0.388 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.783 -15.332 0.435 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.268 -16.621 -1.066 1.00 0.00 C ATOM 0 H VAL A 106 -6.061 -14.294 -2.880 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.703 -13.950 -1.589 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.637 -15.035 0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.693 -16.117 1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.953 -14.375 0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.623 -15.554 -0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.168 -17.395 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.118 -16.852 -1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.359 -16.583 -1.666 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.338 -12.329 0.168 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.727 -11.065 0.665 1.00 0.00 C ATOM 1682 C CYS A 107 -5.329 -11.288 1.218 1.00 0.00 C ATOM 1683 O CYS A 107 -5.030 -12.276 1.859 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.599 -10.449 1.758 1.00 0.00 C ATOM 1685 SG CYS A 107 -7.997 -11.701 2.983 1.00 0.00 S ATOM 0 H CYS A 107 -8.058 -12.728 0.770 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.657 -10.388 -0.187 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.076 -9.617 2.229 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.514 -10.046 1.324 1.00 0.00 H new ATOM 0 HG CYS A 107 -9.240 -11.575 3.344 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.480 -10.324 0.985 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.084 -10.354 1.479 1.00 0.00 C ATOM 1693 C VAL A 108 -2.860 -8.987 2.137 1.00 0.00 C ATOM 1694 O VAL A 108 -3.501 -8.028 1.754 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.146 -10.570 0.285 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.287 -9.421 -0.719 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.693 -10.678 0.773 1.00 0.00 C ATOM 0 H VAL A 108 -4.712 -9.487 0.451 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.891 -11.157 2.191 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.420 -11.499 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.615 -9.589 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.315 -9.376 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.031 -8.480 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.033 -10.831 -0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.413 -9.759 1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.601 -11.520 1.459 1.00 0.00 H new ATOM 1707 N ILE A 109 -2.015 -8.863 3.136 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.867 -7.516 3.799 1.00 0.00 C ATOM 1709 C ILE A 109 -0.685 -6.730 3.213 1.00 0.00 C ATOM 1710 O ILE A 109 0.458 -7.103 3.343 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.666 -7.745 5.319 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -1.999 -6.463 6.098 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.211 -8.163 5.625 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -2.114 -6.787 7.593 1.00 0.00 C ATOM 0 H ILE A 109 -1.434 -9.611 3.516 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.764 -6.924 3.620 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.337 -8.546 5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.223 -5.715 5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.934 -6.037 5.735 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.095 -8.318 6.698 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.020 -9.088 5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.470 -7.378 5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.350 -5.877 8.145 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.905 -7.521 7.746 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -1.168 -7.194 7.951 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.971 -5.618 2.574 1.00 0.00 N ATOM 1727 CA TRP A 110 0.108 -4.772 1.985 1.00 0.00 C ATOM 1728 C TRP A 110 0.301 -3.539 2.872 1.00 0.00 C ATOM 1729 O TRP A 110 -0.629 -2.780 3.093 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.327 -4.340 0.572 1.00 0.00 C ATOM 1731 CG TRP A 110 0.835 -3.788 -0.183 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.556 -4.462 -1.105 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.414 -2.468 -0.096 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.553 -3.633 -1.589 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.505 -2.388 -0.991 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.099 -1.339 0.673 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.256 -1.222 -1.115 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 1.849 -0.165 0.552 1.00 0.00 C ATOM 1739 CH2 TRP A 110 2.926 -0.105 -0.337 1.00 0.00 C ATOM 0 H TRP A 110 -1.916 -5.261 2.436 1.00 0.00 H new ATOM 0 HA TRP A 110 1.045 -5.325 1.925 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.745 -5.192 0.037 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -1.114 -3.589 0.640 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.383 -5.482 -1.414 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.236 -3.906 -2.296 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.270 -1.376 1.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.086 -1.179 -1.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.595 0.699 1.148 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.504 0.803 -0.424 1.00 0.00 H new ATOM 1750 N LYS A 111 1.492 -3.305 3.378 1.00 0.00 N ATOM 1751 CA LYS A 111 1.699 -2.090 4.235 1.00 0.00 C ATOM 1752 C LYS A 111 3.123 -1.560 4.095 1.00 0.00 C ATOM 1753 O LYS A 111 3.997 -1.807 4.898 1.00 0.00 O ATOM 1754 CB LYS A 111 1.356 -2.396 5.696 1.00 0.00 C ATOM 1755 CG LYS A 111 2.083 -3.653 6.178 1.00 0.00 C ATOM 1756 CD LYS A 111 1.513 -4.055 7.548 1.00 0.00 C ATOM 1757 CE LYS A 111 2.358 -5.177 8.173 1.00 0.00 C ATOM 1758 NZ LYS A 111 2.039 -6.482 7.525 1.00 0.00 N ATOM 0 H LYS A 111 2.315 -3.891 3.238 1.00 0.00 H new ATOM 0 HA LYS A 111 1.023 -1.307 3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.632 -1.549 6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.279 -2.532 5.800 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.952 -4.464 5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.154 -3.465 6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.499 -3.190 8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.481 -4.388 7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.418 -4.953 8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.162 -5.237 9.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.616 -7.233 7.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 1.031 -6.699 7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.248 -6.425 6.508 1.00 0.00 H new ATOM 1772 N GLY A 112 3.335 -0.807 3.056 1.00 0.00 N ATOM 1773 CA GLY A 112 4.674 -0.211 2.794 1.00 0.00 C ATOM 1774 C GLY A 112 4.862 1.063 3.608 1.00 0.00 C ATOM 1775 O GLY A 112 3.905 1.712 3.984 1.00 0.00 O ATOM 0 H GLY A 112 2.624 -0.574 2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.454 -0.929 3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.778 0.011 1.732 1.00 0.00 H new ATOM 1779 N TRP A 113 6.079 1.468 3.831 1.00 0.00 N ATOM 1780 CA TRP A 113 6.312 2.749 4.561 1.00 0.00 C ATOM 1781 C TRP A 113 7.478 3.481 3.920 1.00 0.00 C ATOM 1782 O TRP A 113 8.295 2.893 3.243 1.00 0.00 O ATOM 1783 CB TRP A 113 6.598 2.511 6.052 1.00 0.00 C ATOM 1784 CG TRP A 113 7.666 1.478 6.249 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.422 0.169 6.476 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.118 1.629 6.257 1.00 0.00 C ATOM 1787 NE1 TRP A 113 8.627 -0.494 6.632 1.00 0.00 N ATOM 1788 CE2 TRP A 113 9.703 0.362 6.500 1.00 0.00 C ATOM 1789 CE3 TRP A 113 9.971 2.724 6.081 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.089 0.195 6.569 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.365 2.561 6.145 1.00 0.00 C ATOM 1792 CH2 TRP A 113 11.921 1.298 6.389 1.00 0.00 C ATOM 0 H TRP A 113 6.922 0.972 3.542 1.00 0.00 H new ATOM 0 HA TRP A 113 5.406 3.352 4.494 1.00 0.00 H new ATOM 0 HB2 TRP A 113 6.905 3.447 6.518 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.684 2.191 6.552 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.444 -0.287 6.527 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.710 -1.493 6.821 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.554 3.703 5.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.511 -0.780 6.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.012 3.414 6.005 1.00 0.00 H new ATOM 0 HH2 TRP A 113 12.993 1.180 6.437 1.00 0.00 H new ATOM 1803 N ILE A 114 7.560 4.764 4.133 1.00 0.00 N ATOM 1804 CA ILE A 114 8.665 5.564 3.537 1.00 0.00 C ATOM 1805 C ILE A 114 8.881 6.811 4.383 1.00 0.00 C ATOM 1806 O ILE A 114 7.959 7.326 4.983 1.00 0.00 O ATOM 1807 CB ILE A 114 8.273 6.011 2.123 1.00 0.00 C ATOM 1808 CG1 ILE A 114 6.875 6.633 2.164 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.296 4.836 1.155 1.00 0.00 C ATOM 1810 CD1 ILE A 114 6.445 7.051 0.757 1.00 0.00 C ATOM 0 H ILE A 114 6.902 5.298 4.700 1.00 0.00 H new ATOM 0 HA ILE A 114 9.570 4.958 3.501 1.00 0.00 H new ATOM 0 HB ILE A 114 8.995 6.749 1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.162 5.917 2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.873 7.499 2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.014 5.179 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.299 4.411 1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.591 4.075 1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.449 7.492 0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.151 7.783 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.428 6.176 0.107 1.00 0.00 H new ATOM 1822 N ASP A 115 10.077 7.319 4.428 1.00 0.00 N ATOM 1823 CA ASP A 115 10.314 8.548 5.231 1.00 0.00 C ATOM 1824 C ASP A 115 9.770 9.765 4.466 1.00 0.00 C ATOM 1825 O ASP A 115 9.413 9.681 3.304 1.00 0.00 O ATOM 1826 CB ASP A 115 11.808 8.706 5.497 1.00 0.00 C ATOM 1827 CG ASP A 115 12.017 9.709 6.637 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.038 10.290 7.066 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.152 9.878 7.055 1.00 0.00 O ATOM 0 H ASP A 115 10.895 6.942 3.949 1.00 0.00 H new ATOM 0 HA ASP A 115 9.798 8.472 6.188 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.246 7.743 5.760 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.315 9.051 4.596 1.00 0.00 H new ATOM 1834 N LEU A 116 9.671 10.884 5.122 1.00 0.00 N ATOM 1835 CA LEU A 116 9.118 12.111 4.473 1.00 0.00 C ATOM 1836 C LEU A 116 10.045 12.605 3.351 1.00 0.00 C ATOM 1837 O LEU A 116 9.592 13.214 2.409 1.00 0.00 O ATOM 1838 CB LEU A 116 8.951 13.198 5.555 1.00 0.00 C ATOM 1839 CG LEU A 116 7.963 14.307 5.112 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.575 15.148 6.338 1.00 0.00 C ATOM 1841 CD2 LEU A 116 8.593 15.220 4.031 1.00 0.00 C ATOM 0 H LEU A 116 9.953 11.006 6.095 1.00 0.00 H new ATOM 0 HA LEU A 116 8.153 11.883 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.593 12.740 6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.921 13.643 5.775 1.00 0.00 H new ATOM 0 HG LEU A 116 7.079 13.837 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.880 15.931 6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.101 14.509 7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.469 15.601 6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 116 7.876 15.988 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.489 15.693 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.858 14.622 3.159 1.00 0.00 H new ATOM 1853 N HIS A 117 11.343 12.368 3.440 1.00 0.00 N ATOM 1854 CA HIS A 117 12.264 12.874 2.369 1.00 0.00 C ATOM 1855 C HIS A 117 12.619 11.780 1.341 1.00 0.00 C ATOM 1856 O HIS A 117 12.415 11.967 0.157 1.00 0.00 O ATOM 1857 CB HIS A 117 13.550 13.410 3.005 1.00 0.00 C ATOM 1858 CG HIS A 117 14.378 12.283 3.536 1.00 0.00 C ATOM 1859 ND1 HIS A 117 15.681 12.084 3.127 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.117 11.302 4.450 1.00 0.00 C ATOM 1861 CE1 HIS A 117 16.152 11.017 3.790 1.00 0.00 C ATOM 1862 NE2 HIS A 117 15.237 10.496 4.609 1.00 0.00 N ATOM 0 H HIS A 117 11.793 11.854 4.197 1.00 0.00 H new ATOM 0 HA HIS A 117 11.742 13.671 1.839 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.121 13.973 2.267 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.304 14.100 3.812 1.00 0.00 H new ATOM 0 HD2 HIS A 117 13.180 11.172 4.971 1.00 0.00 H new ATOM 0 HE1 HIS A 117 17.152 10.627 3.674 1.00 0.00 H new ATOM 0 HE2 HIS A 117 15.338 9.684 5.218 1.00 0.00 H new ATOM 1870 N ARG A 118 13.161 10.651 1.749 1.00 0.00 N ATOM 1871 CA ARG A 118 13.522 9.598 0.740 1.00 0.00 C ATOM 1872 C ARG A 118 12.363 8.624 0.561 1.00 0.00 C ATOM 1873 O ARG A 118 11.975 7.925 1.465 1.00 0.00 O ATOM 1874 CB ARG A 118 14.789 8.858 1.202 1.00 0.00 C ATOM 1875 CG ARG A 118 14.502 8.033 2.452 1.00 0.00 C ATOM 1876 CD ARG A 118 15.812 7.542 3.064 1.00 0.00 C ATOM 1877 NE ARG A 118 15.492 6.578 4.159 1.00 0.00 N ATOM 1878 CZ ARG A 118 16.437 5.834 4.676 1.00 0.00 C ATOM 1879 NH1 ARG A 118 17.650 5.903 4.206 1.00 0.00 N ATOM 1880 NH2 ARG A 118 16.169 5.033 5.673 1.00 0.00 N ATOM 0 H ARG A 118 13.366 10.416 2.720 1.00 0.00 H new ATOM 0 HA ARG A 118 13.721 10.070 -0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.148 8.207 0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.582 9.577 1.408 1.00 0.00 H new ATOM 0 HG2 ARG A 118 13.955 8.635 3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 118 13.868 7.183 2.200 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.428 7.061 2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.386 8.382 3.455 1.00 0.00 H new ATOM 0 HE ARG A 118 14.536 6.499 4.505 1.00 0.00 H new ATOM 0 HH11 ARG A 118 17.863 6.537 3.436 1.00 0.00 H new ATOM 0 HH12 ARG A 118 18.387 5.324 4.609 1.00 0.00 H new ATOM 0 HH21 ARG A 118 15.222 4.987 6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 118 16.907 4.454 6.075 1.00 0.00 H new ATOM 1894 N LEU A 119 11.798 8.592 -0.613 1.00 0.00 N ATOM 1895 CA LEU A 119 10.659 7.674 -0.873 1.00 0.00 C ATOM 1896 C LEU A 119 11.183 6.331 -1.396 1.00 0.00 C ATOM 1897 O LEU A 119 10.747 5.844 -2.418 1.00 0.00 O ATOM 1898 CB LEU A 119 9.719 8.297 -1.903 1.00 0.00 C ATOM 1899 CG LEU A 119 10.516 8.819 -3.140 1.00 0.00 C ATOM 1900 CD1 LEU A 119 9.957 8.164 -4.402 1.00 0.00 C ATOM 1901 CD2 LEU A 119 10.363 10.342 -3.272 1.00 0.00 C ATOM 0 H LEU A 119 12.079 9.167 -1.407 1.00 0.00 H new ATOM 0 HA LEU A 119 10.114 7.508 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 119 8.984 7.559 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 119 9.167 9.119 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 119 11.570 8.573 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 119 10.507 8.522 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 119 10.061 7.082 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.903 8.420 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.924 10.690 -4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 119 9.310 10.592 -3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.746 10.825 -2.373 1.00 0.00 H new ATOM 1913 N ASP A 120 12.116 5.735 -0.698 1.00 0.00 N ATOM 1914 CA ASP A 120 12.692 4.410 -1.115 1.00 0.00 C ATOM 1915 C ASP A 120 12.688 3.505 0.110 1.00 0.00 C ATOM 1916 O ASP A 120 13.669 2.863 0.444 1.00 0.00 O ATOM 1917 CB ASP A 120 14.121 4.600 -1.624 1.00 0.00 C ATOM 1918 CG ASP A 120 15.033 5.044 -0.476 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.517 5.305 0.601 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.227 5.124 -0.696 1.00 0.00 O ATOM 0 H ASP A 120 12.514 6.115 0.161 1.00 0.00 H new ATOM 0 HA ASP A 120 12.103 3.969 -1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.490 3.668 -2.052 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.136 5.345 -2.420 1.00 0.00 H new ATOM 1925 N GLY A 121 11.593 3.501 0.811 1.00 0.00 N ATOM 1926 CA GLY A 121 11.481 2.697 2.067 1.00 0.00 C ATOM 1927 C GLY A 121 11.484 1.186 1.798 1.00 0.00 C ATOM 1928 O GLY A 121 12.091 0.697 0.867 1.00 0.00 O ATOM 0 H GLY A 121 10.754 4.028 0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.309 2.947 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.563 2.968 2.588 1.00 0.00 H new ATOM 1932 N MET A 122 10.793 0.464 2.642 1.00 0.00 N ATOM 1933 CA MET A 122 10.699 -1.023 2.532 1.00 0.00 C ATOM 1934 C MET A 122 9.250 -1.413 2.819 1.00 0.00 C ATOM 1935 O MET A 122 8.541 -0.706 3.497 1.00 0.00 O ATOM 1936 CB MET A 122 11.619 -1.674 3.581 1.00 0.00 C ATOM 1937 CG MET A 122 11.669 -3.204 3.417 1.00 0.00 C ATOM 1938 SD MET A 122 13.063 -3.664 2.363 1.00 0.00 S ATOM 1939 CE MET A 122 14.322 -3.709 3.662 1.00 0.00 C ATOM 0 H MET A 122 10.274 0.857 3.427 1.00 0.00 H new ATOM 0 HA MET A 122 11.002 -1.357 1.540 1.00 0.00 H new ATOM 0 HB2 MET A 122 12.625 -1.264 3.489 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.264 -1.426 4.581 1.00 0.00 H new ATOM 0 HG2 MET A 122 11.767 -3.680 4.393 1.00 0.00 H new ATOM 0 HG3 MET A 122 10.737 -3.562 2.979 1.00 0.00 H new ATOM 0 HE1 MET A 122 15.284 -3.978 3.227 1.00 0.00 H new ATOM 0 HE2 MET A 122 14.397 -2.727 4.130 1.00 0.00 H new ATOM 0 HE3 MET A 122 14.044 -4.448 4.413 1.00 0.00 H new ATOM 1949 N GLY A 123 8.795 -2.519 2.310 1.00 0.00 N ATOM 1950 CA GLY A 123 7.379 -2.901 2.569 1.00 0.00 C ATOM 1951 C GLY A 123 7.217 -4.418 2.544 1.00 0.00 C ATOM 1952 O GLY A 123 7.372 -5.068 1.531 1.00 0.00 O ATOM 0 H GLY A 123 9.331 -3.168 1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.063 -2.512 3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.732 -2.449 1.818 1.00 0.00 H new ATOM 1956 N CYS A 124 6.901 -4.986 3.677 1.00 0.00 N ATOM 1957 CA CYS A 124 6.711 -6.465 3.751 1.00 0.00 C ATOM 1958 C CYS A 124 5.301 -6.822 3.305 1.00 0.00 C ATOM 1959 O CYS A 124 4.342 -6.228 3.743 1.00 0.00 O ATOM 1960 CB CYS A 124 6.914 -6.947 5.187 1.00 0.00 C ATOM 1961 SG CYS A 124 8.516 -6.371 5.797 1.00 0.00 S ATOM 0 H CYS A 124 6.766 -4.489 4.557 1.00 0.00 H new ATOM 0 HA CYS A 124 7.440 -6.946 3.099 1.00 0.00 H new ATOM 0 HB2 CYS A 124 6.114 -6.571 5.824 1.00 0.00 H new ATOM 0 HB3 CYS A 124 6.868 -8.035 5.226 1.00 0.00 H new ATOM 0 HG CYS A 124 8.687 -6.779 7.019 1.00 0.00 H new ATOM 1967 N LEU A 125 5.165 -7.813 2.458 1.00 0.00 N ATOM 1968 CA LEU A 125 3.799 -8.248 1.991 1.00 0.00 C ATOM 1969 C LEU A 125 3.633 -9.710 2.362 1.00 0.00 C ATOM 1970 O LEU A 125 4.533 -10.503 2.186 1.00 0.00 O ATOM 1971 CB LEU A 125 3.700 -8.049 0.477 1.00 0.00 C ATOM 1972 CG LEU A 125 2.432 -8.691 -0.123 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.186 -7.950 0.379 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.501 -8.557 -1.648 1.00 0.00 C ATOM 0 H LEU A 125 5.941 -8.345 2.065 1.00 0.00 H new ATOM 0 HA LEU A 125 3.010 -7.660 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.704 -6.982 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.581 -8.478 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 125 2.374 -9.738 0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.294 -8.408 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.140 -8.011 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.238 -6.904 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.613 -9.005 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.550 -7.502 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.390 -9.068 -2.018 1.00 0.00 H new ATOM 1986 N GLU A 126 2.502 -10.078 2.913 1.00 0.00 N ATOM 1987 CA GLU A 126 2.309 -11.502 3.344 1.00 0.00 C ATOM 1988 C GLU A 126 0.842 -11.938 3.333 1.00 0.00 C ATOM 1989 O GLU A 126 -0.039 -11.228 3.773 1.00 0.00 O ATOM 1990 CB GLU A 126 2.807 -11.658 4.783 1.00 0.00 C ATOM 1991 CG GLU A 126 4.288 -11.307 4.852 1.00 0.00 C ATOM 1992 CD GLU A 126 4.864 -11.721 6.204 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.486 -11.128 7.198 1.00 0.00 O ATOM 1994 OE2 GLU A 126 5.683 -12.629 6.220 1.00 0.00 O ATOM 0 H GLU A 126 1.708 -9.460 3.083 1.00 0.00 H new ATOM 0 HA GLU A 126 2.862 -12.119 2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.238 -11.009 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.649 -12.681 5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.827 -11.810 4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.423 -10.236 4.703 1.00 0.00 H new ATOM 2001 N PHE A 127 0.596 -13.142 2.909 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.788 -13.689 2.937 1.00 0.00 C ATOM 2003 C PHE A 127 -1.090 -14.155 4.374 1.00 0.00 C ATOM 2004 O PHE A 127 -0.740 -15.255 4.751 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.859 -14.888 1.961 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.526 -14.493 0.660 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -0.811 -13.800 -0.331 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -2.859 -14.841 0.439 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -1.439 -13.467 -1.539 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.485 -14.506 -0.763 1.00 0.00 C ATOM 2011 CZ PHE A 127 -2.777 -13.818 -1.753 1.00 0.00 C ATOM 0 H PHE A 127 1.302 -13.779 2.540 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.517 -12.937 2.637 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.147 -15.258 1.760 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.412 -15.705 2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.220 -13.525 -0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.409 -15.372 1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.890 -12.939 -2.305 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.517 -14.778 -0.928 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.262 -13.558 -2.682 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.728 -13.346 5.183 1.00 0.00 N ATOM 2022 CA ASP A 128 -2.036 -13.795 6.582 1.00 0.00 C ATOM 2023 C ASP A 128 -3.346 -13.167 7.064 1.00 0.00 C ATOM 2024 O ASP A 128 -3.663 -13.178 8.236 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.900 -13.391 7.524 1.00 0.00 C ATOM 2026 CG ASP A 128 -1.078 -14.106 8.857 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -1.971 -14.928 8.948 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.310 -13.822 9.761 1.00 0.00 O ATOM 0 H ASP A 128 -2.046 -12.407 4.943 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.138 -14.880 6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 128 0.063 -13.650 7.084 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.902 -12.311 7.674 1.00 0.00 H new ATOM 2033 N GLU A 129 -4.096 -12.613 6.168 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.390 -11.971 6.560 1.00 0.00 C ATOM 2035 C GLU A 129 -6.418 -13.007 7.075 1.00 0.00 C ATOM 2036 O GLU A 129 -6.827 -13.928 6.369 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.942 -11.229 5.339 1.00 0.00 C ATOM 2038 CG GLU A 129 -5.176 -9.922 5.113 1.00 0.00 C ATOM 2039 CD GLU A 129 -5.460 -8.955 6.269 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -6.421 -8.210 6.169 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -4.724 -8.989 7.242 1.00 0.00 O ATOM 0 H GLU A 129 -3.877 -12.571 5.173 1.00 0.00 H new ATOM 0 HA GLU A 129 -5.209 -11.277 7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.862 -11.862 4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -7.001 -11.016 5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -4.107 -10.122 5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.475 -9.472 4.167 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.876 -12.832 8.296 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.895 -13.768 8.842 1.00 0.00 C ATOM 2050 C GLU A 130 -9.147 -13.636 7.970 1.00 0.00 C ATOM 2051 O GLU A 130 -9.891 -14.573 7.760 1.00 0.00 O ATOM 2052 CB GLU A 130 -8.180 -13.415 10.319 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.785 -12.009 10.407 1.00 0.00 C ATOM 2054 CD GLU A 130 -8.678 -11.481 11.845 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -8.155 -12.194 12.684 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -9.120 -10.365 12.082 1.00 0.00 O ATOM 0 H GLU A 130 -6.586 -12.085 8.928 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.548 -14.801 8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.865 -14.144 10.751 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.258 -13.462 10.898 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.265 -11.337 9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.830 -12.033 10.096 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.360 -12.485 7.409 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.531 -12.339 6.510 1.00 0.00 C ATOM 2065 C ARG A 131 -10.260 -13.165 5.254 1.00 0.00 C ATOM 2066 O ARG A 131 -11.134 -13.420 4.465 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.826 -10.857 6.206 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.548 -10.074 5.931 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.859 -8.577 5.961 1.00 0.00 C ATOM 2070 NE ARG A 131 -10.101 -8.159 7.376 1.00 0.00 N ATOM 2071 CZ ARG A 131 -10.087 -6.897 7.695 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -9.909 -5.997 6.773 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -10.275 -6.529 8.939 1.00 0.00 N ATOM 0 H ARG A 131 -8.785 -11.651 7.530 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.434 -12.714 6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.489 -10.787 5.343 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -11.353 -10.410 7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.792 -10.315 6.678 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -9.138 -10.353 4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -9.029 -8.011 5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -10.735 -8.362 5.350 1.00 0.00 H new ATOM 0 HE ARG A 131 -10.277 -8.864 8.092 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -9.781 -6.280 5.802 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -9.898 -5.008 7.021 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -10.433 -7.232 9.661 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -10.263 -5.539 9.185 1.00 0.00 H new ATOM 2087 N ALA A 132 -9.047 -13.631 5.089 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.735 -14.479 3.903 1.00 0.00 C ATOM 2089 C ALA A 132 -9.431 -15.814 4.038 1.00 0.00 C ATOM 2090 O ALA A 132 -10.096 -16.271 3.135 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.226 -14.726 3.824 1.00 0.00 C ATOM 0 H ALA A 132 -8.265 -13.461 5.721 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.076 -13.966 3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.004 -15.346 2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.706 -13.773 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -6.893 -15.235 4.728 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.283 -16.457 5.153 1.00 0.00 N ATOM 2098 CA GLN A 133 -9.954 -17.782 5.294 1.00 0.00 C ATOM 2099 C GLN A 133 -11.485 -17.637 5.190 1.00 0.00 C ATOM 2100 O GLN A 133 -12.134 -18.389 4.475 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.579 -18.439 6.635 1.00 0.00 C ATOM 2102 CG GLN A 133 -9.667 -17.408 7.765 1.00 0.00 C ATOM 2103 CD GLN A 133 -9.309 -18.068 9.098 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -8.151 -18.257 9.396 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -10.258 -18.411 9.927 1.00 0.00 N ATOM 0 H GLN A 133 -8.743 -16.139 5.958 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.610 -18.420 4.480 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -10.249 -19.274 6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.569 -18.846 6.580 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -8.989 -16.578 7.566 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -10.674 -16.993 7.813 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.234 -18.253 9.678 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.023 -18.837 10.823 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.089 -16.701 5.885 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.586 -16.571 5.784 1.00 0.00 C ATOM 2116 C GLN A 134 -14.005 -15.882 4.468 1.00 0.00 C ATOM 2117 O GLN A 134 -14.973 -16.274 3.844 1.00 0.00 O ATOM 2118 CB GLN A 134 -14.148 -15.795 6.991 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.350 -14.518 7.188 1.00 0.00 C ATOM 2120 CD GLN A 134 -13.966 -13.699 8.331 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -14.415 -14.247 9.317 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -13.997 -12.399 8.253 1.00 0.00 N ATOM 0 H GLN A 134 -11.628 -16.035 6.504 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.003 -17.578 5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.199 -15.558 6.827 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -14.096 -16.411 7.889 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -12.312 -14.757 7.417 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -13.347 -13.933 6.268 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -13.622 -11.928 7.429 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -14.396 -11.852 9.016 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.309 -14.857 4.032 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.734 -14.191 2.757 1.00 0.00 C ATOM 2133 C GLU A 135 -13.588 -15.159 1.589 1.00 0.00 C ATOM 2134 O GLU A 135 -14.330 -15.095 0.625 1.00 0.00 O ATOM 2135 CB GLU A 135 -12.924 -12.911 2.489 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.534 -13.231 1.885 1.00 0.00 C ATOM 2137 CD GLU A 135 -11.586 -13.124 0.353 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -11.934 -14.110 -0.283 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -11.293 -12.057 -0.157 1.00 0.00 O ATOM 0 H GLU A 135 -12.487 -14.461 4.489 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.781 -13.905 2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.478 -12.266 1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.798 -12.358 3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -10.789 -12.540 2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.224 -14.235 2.177 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.656 -16.071 1.658 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.518 -17.037 0.533 1.00 0.00 C ATOM 2148 C ASP A 136 -13.815 -17.834 0.465 1.00 0.00 C ATOM 2149 O ASP A 136 -14.392 -18.030 -0.584 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.329 -17.975 0.783 1.00 0.00 C ATOM 2151 CG ASP A 136 -10.986 -18.712 -0.515 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -11.893 -18.972 -1.289 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -9.813 -18.996 -0.718 1.00 0.00 O ATOM 0 H ASP A 136 -11.997 -16.188 2.428 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.336 -16.515 -0.406 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.467 -17.405 1.130 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.574 -18.691 1.568 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.303 -18.261 1.596 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.587 -19.007 1.601 1.00 0.00 C ATOM 2160 C ALA A 137 -16.701 -18.097 1.078 1.00 0.00 C ATOM 2161 O ALA A 137 -17.520 -18.501 0.277 1.00 0.00 O ATOM 2162 CB ALA A 137 -15.940 -19.447 3.023 1.00 0.00 C ATOM 0 H ALA A 137 -13.870 -18.126 2.510 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.485 -19.887 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -16.884 -19.993 3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.152 -20.093 3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.036 -18.569 3.662 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.744 -16.874 1.546 1.00 0.00 N ATOM 2169 CA LEU A 138 -17.810 -15.916 1.104 1.00 0.00 C ATOM 2170 C LEU A 138 -17.441 -15.268 -0.235 1.00 0.00 C ATOM 2171 O LEU A 138 -18.177 -14.458 -0.769 1.00 0.00 O ATOM 2172 CB LEU A 138 -17.958 -14.818 2.149 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.298 -15.433 3.505 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.438 -14.302 4.520 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.607 -16.243 3.421 1.00 0.00 C ATOM 0 H LEU A 138 -16.081 -16.493 2.221 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.743 -16.467 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -17.033 -14.246 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.741 -14.122 1.849 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.505 -16.116 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -18.681 -14.718 5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.499 -13.752 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.234 -13.627 4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -19.832 -16.673 4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.422 -15.586 3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.494 -17.043 2.689 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.306 -15.587 -0.777 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.912 -14.968 -2.075 1.00 0.00 C ATOM 2189 C ALA A 139 -16.931 -15.346 -3.159 1.00 0.00 C ATOM 2190 O ALA A 139 -17.141 -14.616 -4.107 1.00 0.00 O ATOM 2191 CB ALA A 139 -14.529 -15.472 -2.482 1.00 0.00 C ATOM 0 H ALA A 139 -15.634 -16.246 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 139 -15.887 -13.884 -1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -14.241 -15.019 -3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.803 -15.201 -1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.554 -16.556 -2.590 1.00 0.00 H new