USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 ASN : amide:sc= -2.39! C(o=-2.4!,f=-6.6!) USER MOD Set 1.2: A 108 GLN : amide:sc= -0.0237 K(o=-2.4,f=-3.3) USER MOD Set 2.1: A 45 SER OG : rot 20:sc= -4.58! USER MOD Set 2.2: A 95 ASN : amide:sc= -10.8! C(o=-15!,f=-25!) USER MOD Set 3.1: A 18 ASN : amide:sc= -4.01! K(o=-8.2!,f=-0.21) USER MOD Set 3.2: A 43 ASN : amide:sc= -4.17! K(o=-8.2!,f=-0.21) USER MOD Set 4.1: A 34 GLN : amide:sc= -3.36 K(o=-4.4,f=1.2) USER MOD Set 4.2: A 36 SER OG : rot 180:sc= -1.08 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.076) USER MOD Single : A 48 THR OG1 : rot -54:sc= 0.597 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 159:sc= 0 (180deg=-0.56) USER MOD Single : A 59 HIS : no HD1:sc= -0.264 K(o=-0.26,f=-2.8!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -3.48! K(o=-3.5!,f=-2.9) USER MOD Single : A 66 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-4!) USER MOD Single : A 67 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.1) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0815 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -10.5! C(o=-11!,f=-7!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 24:sc= 0.409 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 30:sc= -2.45! USER MOD Single : A 88 SER OG : rot 180:sc= -0.398 USER MOD Single : A 92 MET CE :methyl -159:sc= -6.12! (180deg=-7.42!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -119:sc= -0.705 (180deg=-0.855) USER MOD Single : A 100 SER OG : rot -153:sc= 0.965 USER MOD Single : A 103 SER OG : rot -140:sc= -0.0308 USER MOD Single : A 106 SER OG : rot 180:sc= -1.22 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 -28.116 -11.171 -6.948 1.00 0.00 N ATOM 133 CA VAL A 13 -27.722 -9.826 -7.331 1.00 0.00 C ATOM 134 C VAL A 13 -26.220 -9.653 -7.091 1.00 0.00 C ATOM 135 O VAL A 13 -25.776 -9.568 -5.947 1.00 0.00 O ATOM 136 CB VAL A 13 -28.570 -8.798 -6.579 1.00 0.00 C ATOM 137 CG1 VAL A 13 -28.750 -7.525 -7.408 1.00 0.00 C ATOM 138 CG2 VAL A 13 -29.923 -9.390 -6.181 1.00 0.00 C ATOM 0 HA VAL A 13 -27.903 -9.662 -8.393 1.00 0.00 H new ATOM 0 HB VAL A 13 -28.040 -8.530 -5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -29.356 -6.811 -6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -27.774 -7.087 -7.618 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -29.248 -7.769 -8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -30.506 -8.639 -5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -30.462 -9.700 -7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -29.766 -10.254 -5.535 1.00 0.00 H new ATOM 148 N TYR A 14 -25.480 -9.605 -8.189 1.00 0.00 N ATOM 149 CA TYR A 14 -24.038 -9.442 -8.113 1.00 0.00 C ATOM 150 C TYR A 14 -23.667 -8.007 -7.736 1.00 0.00 C ATOM 151 O TYR A 14 -24.534 -7.211 -7.379 1.00 0.00 O ATOM 152 CB TYR A 14 -23.506 -9.743 -9.516 1.00 0.00 C ATOM 153 CG TYR A 14 -23.348 -11.235 -9.815 1.00 0.00 C ATOM 154 CD1 TYR A 14 -24.255 -12.141 -9.305 1.00 0.00 C ATOM 155 CD2 TYR A 14 -22.298 -11.674 -10.595 1.00 0.00 C ATOM 156 CE1 TYR A 14 -24.106 -13.545 -9.587 1.00 0.00 C ATOM 157 CE2 TYR A 14 -22.149 -13.079 -10.877 1.00 0.00 C ATOM 158 CZ TYR A 14 -23.060 -13.945 -10.359 1.00 0.00 C ATOM 159 OH TYR A 14 -22.920 -15.271 -10.625 1.00 0.00 O ATOM 0 H TYR A 14 -25.852 -9.676 -9.136 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.616 -10.102 -7.355 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -24.181 -9.305 -10.251 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.540 -9.254 -9.640 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -25.077 -11.797 -8.694 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -21.588 -10.965 -10.994 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -24.809 -14.265 -9.194 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -21.332 -13.436 -11.486 1.00 0.00 H new ATOM 0 HH TYR A 14 -22.130 -15.410 -11.188 1.00 0.00 H new ATOM 169 N ASP A 15 -22.377 -7.719 -7.828 1.00 0.00 N ATOM 170 CA ASP A 15 -21.880 -6.394 -7.501 1.00 0.00 C ATOM 171 C ASP A 15 -20.369 -6.462 -7.271 1.00 0.00 C ATOM 172 O ASP A 15 -19.858 -7.467 -6.780 1.00 0.00 O ATOM 173 CB ASP A 15 -22.530 -5.862 -6.222 1.00 0.00 C ATOM 174 CG ASP A 15 -23.779 -5.006 -6.439 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.020 -4.639 -7.609 1.00 0.00 O ATOM 176 OD2 ASP A 15 -24.465 -4.737 -5.429 1.00 0.00 O ATOM 0 H ASP A 15 -21.661 -8.382 -8.125 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.121 -5.730 -8.331 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -22.794 -6.708 -5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -21.794 -5.272 -5.677 1.00 0.00 H new ATOM 181 N VAL A 16 -19.698 -5.380 -7.637 1.00 0.00 N ATOM 182 CA VAL A 16 -18.255 -5.305 -7.477 1.00 0.00 C ATOM 183 C VAL A 16 -17.863 -5.924 -6.134 1.00 0.00 C ATOM 184 O VAL A 16 -18.698 -6.059 -5.241 1.00 0.00 O ATOM 185 CB VAL A 16 -17.787 -3.856 -7.627 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.069 -3.333 -9.037 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.433 -2.959 -6.570 1.00 0.00 C ATOM 0 H VAL A 16 -20.126 -4.548 -8.044 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.753 -5.877 -8.258 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.709 -3.834 -7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.727 -2.301 -9.117 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.541 -3.948 -9.766 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.140 -3.377 -9.234 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.083 -1.935 -6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.517 -2.989 -6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.160 -3.313 -5.576 1.00 0.00 H new ATOM 197 N PRO A 17 -16.558 -6.292 -6.030 1.00 0.00 N ATOM 198 CA PRO A 17 -16.045 -6.893 -4.811 1.00 0.00 C ATOM 199 C PRO A 17 -15.871 -5.842 -3.712 1.00 0.00 C ATOM 200 O PRO A 17 -15.080 -4.912 -3.858 1.00 0.00 O ATOM 201 CB PRO A 17 -14.735 -7.549 -5.217 1.00 0.00 C ATOM 202 CG PRO A 17 -14.334 -6.901 -6.532 1.00 0.00 C ATOM 203 CD PRO A 17 -15.540 -6.147 -7.067 1.00 0.00 C ATOM 0 HA PRO A 17 -16.728 -7.628 -4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.969 -7.396 -4.457 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.857 -8.626 -5.334 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.495 -6.222 -6.382 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.009 -7.657 -7.247 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.304 -5.098 -7.246 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -15.879 -6.564 -8.015 1.00 0.00 H new ATOM 211 N ASN A 18 -16.624 -6.026 -2.638 1.00 0.00 N ATOM 212 CA ASN A 18 -16.564 -5.105 -1.515 1.00 0.00 C ATOM 213 C ASN A 18 -15.111 -4.687 -1.282 1.00 0.00 C ATOM 214 O ASN A 18 -14.186 -5.379 -1.705 1.00 0.00 O ATOM 215 CB ASN A 18 -17.077 -5.765 -0.234 1.00 0.00 C ATOM 216 CG ASN A 18 -18.601 -5.667 -0.140 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.182 -5.632 0.933 1.00 0.00 O ATOM 218 ND2 ASN A 18 -19.215 -5.627 -1.319 1.00 0.00 N ATOM 0 H ASN A 18 -17.279 -6.799 -2.521 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.188 -4.243 -1.751 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -16.774 -6.812 -0.214 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.624 -5.285 0.633 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -20.232 -5.563 -1.362 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -18.669 -5.660 -2.180 1.00 0.00 H new ATOM 225 N PRO A 19 -14.951 -3.526 -0.592 1.00 0.00 N ATOM 226 CA PRO A 19 -13.626 -3.007 -0.298 1.00 0.00 C ATOM 227 C PRO A 19 -12.961 -3.806 0.825 1.00 0.00 C ATOM 228 O PRO A 19 -13.638 -4.301 1.724 1.00 0.00 O ATOM 229 CB PRO A 19 -13.846 -1.547 0.062 1.00 0.00 C ATOM 230 CG PRO A 19 -15.321 -1.421 0.408 1.00 0.00 C ATOM 231 CD PRO A 19 -16.023 -2.679 -0.076 1.00 0.00 C ATOM 0 HA PRO A 19 -12.942 -3.096 -1.142 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.221 -1.254 0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.583 -0.895 -0.771 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.452 -1.301 1.483 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.750 -0.538 -0.066 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.560 -3.170 0.736 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.755 -2.451 -0.851 1.00 0.00 H new ATOM 239 N PRO A 20 -11.608 -3.909 0.734 1.00 0.00 N ATOM 240 CA PRO A 20 -10.844 -4.640 1.731 1.00 0.00 C ATOM 241 C PRO A 20 -10.730 -3.838 3.029 1.00 0.00 C ATOM 242 O PRO A 20 -11.052 -2.651 3.061 1.00 0.00 O ATOM 243 CB PRO A 20 -9.498 -4.907 1.077 1.00 0.00 C ATOM 244 CG PRO A 20 -9.391 -3.920 -0.075 1.00 0.00 C ATOM 245 CD PRO A 20 -10.773 -3.336 -0.318 1.00 0.00 C ATOM 0 HA PRO A 20 -11.321 -5.575 2.025 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.684 -4.767 1.788 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.435 -5.934 0.718 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.679 -3.130 0.164 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.024 -4.419 -0.972 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.758 -2.247 -0.263 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.146 -3.600 -1.308 1.00 0.00 H new ATOM 253 N PHE A 21 -10.270 -4.519 4.069 1.00 0.00 N ATOM 254 CA PHE A 21 -10.109 -3.885 5.366 1.00 0.00 C ATOM 255 C PHE A 21 -8.960 -4.523 6.149 1.00 0.00 C ATOM 256 O PHE A 21 -8.333 -5.470 5.677 1.00 0.00 O ATOM 257 CB PHE A 21 -11.415 -4.100 6.134 1.00 0.00 C ATOM 258 CG PHE A 21 -11.885 -5.556 6.167 1.00 0.00 C ATOM 259 CD1 PHE A 21 -11.468 -6.383 7.164 1.00 0.00 C ATOM 260 CD2 PHE A 21 -12.719 -6.024 5.200 1.00 0.00 C ATOM 261 CE1 PHE A 21 -11.904 -7.734 7.194 1.00 0.00 C ATOM 262 CE2 PHE A 21 -13.155 -7.375 5.230 1.00 0.00 C ATOM 263 CZ PHE A 21 -12.738 -8.201 6.227 1.00 0.00 C ATOM 0 H PHE A 21 -10.004 -5.503 4.039 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.882 -2.827 5.237 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.285 -3.748 7.157 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -12.195 -3.487 5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.806 -6.012 7.932 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.050 -5.368 4.409 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -11.573 -8.391 7.985 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -13.817 -7.746 4.462 1.00 0.00 H new ATOM 0 HZ PHE A 21 -13.070 -9.229 6.251 1.00 0.00 H new ATOM 273 N ASP A 22 -8.719 -3.979 7.333 1.00 0.00 N ATOM 274 CA ASP A 22 -7.656 -4.483 8.186 1.00 0.00 C ATOM 275 C ASP A 22 -6.306 -4.248 7.505 1.00 0.00 C ATOM 276 O ASP A 22 -5.309 -4.874 7.861 1.00 0.00 O ATOM 277 CB ASP A 22 -7.809 -5.986 8.426 1.00 0.00 C ATOM 278 CG ASP A 22 -7.765 -6.414 9.894 1.00 0.00 C ATOM 279 OD1 ASP A 22 -8.487 -5.778 10.692 1.00 0.00 O ATOM 280 OD2 ASP A 22 -7.011 -7.367 10.186 1.00 0.00 O ATOM 0 H ASP A 22 -9.242 -3.194 7.722 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.711 -3.958 9.139 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.756 -6.313 7.996 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.018 -6.507 7.887 1.00 0.00 H new ATOM 285 N LEU A 23 -6.318 -3.343 6.536 1.00 0.00 N ATOM 286 CA LEU A 23 -5.107 -3.018 5.802 1.00 0.00 C ATOM 287 C LEU A 23 -3.957 -2.810 6.789 1.00 0.00 C ATOM 288 O LEU A 23 -4.164 -2.308 7.893 1.00 0.00 O ATOM 289 CB LEU A 23 -5.346 -1.823 4.877 1.00 0.00 C ATOM 290 CG LEU A 23 -5.347 -2.126 3.377 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.606 -2.897 2.974 1.00 0.00 C ATOM 292 CD2 LEU A 23 -5.173 -0.845 2.559 1.00 0.00 C ATOM 0 H LEU A 23 -7.147 -2.825 6.243 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.823 -3.845 5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.304 -1.373 5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.578 -1.075 5.076 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.493 -2.767 3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.582 -3.099 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.646 -3.839 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.488 -2.302 3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.177 -1.088 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.992 -0.160 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.226 -0.373 2.819 1.00 0.00 H new ATOM 304 N GLU A 24 -2.769 -3.207 6.357 1.00 0.00 N ATOM 305 CA GLU A 24 -1.586 -3.071 7.189 1.00 0.00 C ATOM 306 C GLU A 24 -0.324 -3.074 6.323 1.00 0.00 C ATOM 307 O GLU A 24 -0.385 -3.378 5.133 1.00 0.00 O ATOM 308 CB GLU A 24 -1.528 -4.177 8.245 1.00 0.00 C ATOM 309 CG GLU A 24 -1.765 -3.610 9.647 1.00 0.00 C ATOM 310 CD GLU A 24 -2.784 -4.454 10.415 1.00 0.00 C ATOM 311 OE1 GLU A 24 -3.776 -4.866 9.776 1.00 0.00 O ATOM 312 OE2 GLU A 24 -2.547 -4.668 11.623 1.00 0.00 O ATOM 0 H GLU A 24 -2.601 -3.623 5.441 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.642 -2.116 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.279 -4.936 8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.556 -4.670 8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.824 -3.582 10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.121 -2.583 9.572 1.00 0.00 H new ATOM 319 N LEU A 25 0.789 -2.731 6.955 1.00 0.00 N ATOM 320 CA LEU A 25 2.063 -2.689 6.257 1.00 0.00 C ATOM 321 C LEU A 25 3.135 -3.357 7.121 1.00 0.00 C ATOM 322 O LEU A 25 3.487 -2.846 8.183 1.00 0.00 O ATOM 323 CB LEU A 25 2.405 -1.255 5.851 1.00 0.00 C ATOM 324 CG LEU A 25 1.557 -0.655 4.728 1.00 0.00 C ATOM 325 CD1 LEU A 25 1.249 0.819 5.001 1.00 0.00 C ATOM 326 CD2 LEU A 25 2.227 -0.858 3.367 1.00 0.00 C ATOM 0 H LEU A 25 0.835 -2.480 7.942 1.00 0.00 H new ATOM 0 HA LEU A 25 2.006 -3.253 5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.311 -0.618 6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.451 -1.225 5.545 1.00 0.00 H new ATOM 0 HG LEU A 25 0.604 -1.183 4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.645 1.221 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.701 0.908 5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.182 1.379 5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.604 -0.422 2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.203 -0.372 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.352 -1.924 3.179 1.00 0.00 H new ATOM 445 N VAL A 33 8.619 -3.513 0.521 1.00 0.00 N ATOM 446 CA VAL A 33 7.643 -3.743 1.573 1.00 0.00 C ATOM 447 C VAL A 33 6.426 -4.461 0.986 1.00 0.00 C ATOM 448 O VAL A 33 6.056 -4.225 -0.163 1.00 0.00 O ATOM 449 CB VAL A 33 7.286 -2.420 2.254 1.00 0.00 C ATOM 450 CG1 VAL A 33 6.560 -1.484 1.286 1.00 0.00 C ATOM 451 CG2 VAL A 33 6.452 -2.660 3.514 1.00 0.00 C ATOM 0 HA VAL A 33 8.060 -4.389 2.346 1.00 0.00 H new ATOM 0 HB VAL A 33 8.215 -1.936 2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.318 -0.551 1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.203 -1.275 0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.641 -1.959 0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.212 -1.704 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.530 -3.176 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.020 -3.272 4.215 1.00 0.00 H new ATOM 461 N GLN A 34 5.838 -5.324 1.801 1.00 0.00 N ATOM 462 CA GLN A 34 4.670 -6.078 1.377 1.00 0.00 C ATOM 463 C GLN A 34 3.404 -5.493 2.005 1.00 0.00 C ATOM 464 O GLN A 34 3.360 -5.249 3.209 1.00 0.00 O ATOM 465 CB GLN A 34 4.820 -7.561 1.723 1.00 0.00 C ATOM 466 CG GLN A 34 3.525 -8.324 1.436 1.00 0.00 C ATOM 467 CD GLN A 34 2.868 -8.796 2.734 1.00 0.00 C ATOM 468 OE1 GLN A 34 3.138 -9.872 3.242 1.00 0.00 O ATOM 469 NE2 GLN A 34 1.992 -7.934 3.242 1.00 0.00 N ATOM 0 H GLN A 34 6.148 -5.518 2.753 1.00 0.00 H new ATOM 0 HA GLN A 34 4.584 -5.999 0.293 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.637 -7.992 1.144 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.084 -7.668 2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.835 -7.683 0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.738 -9.182 0.799 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.812 -7.050 2.766 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.500 -8.157 4.107 1.00 0.00 H new ATOM 478 N LEU A 35 2.404 -5.286 1.160 1.00 0.00 N ATOM 479 CA LEU A 35 1.140 -4.734 1.617 1.00 0.00 C ATOM 480 C LEU A 35 0.100 -5.854 1.698 1.00 0.00 C ATOM 481 O LEU A 35 -0.284 -6.424 0.678 1.00 0.00 O ATOM 482 CB LEU A 35 0.715 -3.562 0.731 1.00 0.00 C ATOM 483 CG LEU A 35 -0.705 -3.035 0.951 1.00 0.00 C ATOM 484 CD1 LEU A 35 -0.747 -2.047 2.119 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.270 -2.428 -0.334 1.00 0.00 C ATOM 0 H LEU A 35 2.444 -5.491 0.162 1.00 0.00 H new ATOM 0 HA LEU A 35 1.244 -4.322 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.414 -2.741 0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.811 -3.867 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.345 -3.876 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.767 -1.687 2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.414 -2.545 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.090 -1.204 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.280 -2.061 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.637 -1.601 -0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.297 -3.188 -1.114 1.00 0.00 H new ATOM 497 N SER A 36 -0.327 -6.134 2.921 1.00 0.00 N ATOM 498 CA SER A 36 -1.316 -7.174 3.148 1.00 0.00 C ATOM 499 C SER A 36 -2.702 -6.551 3.318 1.00 0.00 C ATOM 500 O SER A 36 -2.903 -5.703 4.187 1.00 0.00 O ATOM 501 CB SER A 36 -0.957 -8.016 4.375 1.00 0.00 C ATOM 502 OG SER A 36 -0.119 -9.118 4.040 1.00 0.00 O ATOM 0 H SER A 36 -0.006 -5.659 3.765 1.00 0.00 H new ATOM 0 HA SER A 36 -1.326 -7.832 2.279 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.454 -7.388 5.111 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.871 -8.384 4.842 1.00 0.00 H new ATOM 0 HG SER A 36 0.089 -9.629 4.850 1.00 0.00 H new ATOM 508 N TRP A 37 -3.623 -6.995 2.476 1.00 0.00 N ATOM 509 CA TRP A 37 -4.985 -6.491 2.522 1.00 0.00 C ATOM 510 C TRP A 37 -5.928 -7.688 2.661 1.00 0.00 C ATOM 511 O TRP A 37 -5.533 -8.826 2.410 1.00 0.00 O ATOM 512 CB TRP A 37 -5.292 -5.627 1.298 1.00 0.00 C ATOM 513 CG TRP A 37 -5.187 -6.374 -0.033 1.00 0.00 C ATOM 514 CD1 TRP A 37 -6.141 -7.069 -0.667 1.00 0.00 C ATOM 515 CD2 TRP A 37 -4.017 -6.473 -0.873 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.674 -7.607 -1.850 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.342 -7.232 -1.979 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.728 -5.938 -0.705 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.431 -7.526 -3.001 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.830 -6.240 -1.735 1.00 0.00 C ATOM 521 CH2 TRP A 37 -2.141 -7.003 -2.854 1.00 0.00 C ATOM 0 H TRP A 37 -3.453 -7.699 1.757 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.125 -5.836 3.382 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.299 -5.220 1.396 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.606 -4.780 1.283 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.149 -7.193 -0.299 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.208 -8.175 -2.508 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.452 -5.341 0.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.709 -8.124 -3.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.825 -5.853 -1.655 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.390 -7.192 -3.607 1.00 0.00 H new ATOM 532 N THR A 38 -7.156 -7.391 3.059 1.00 0.00 N ATOM 533 CA THR A 38 -8.158 -8.429 3.234 1.00 0.00 C ATOM 534 C THR A 38 -9.397 -8.121 2.391 1.00 0.00 C ATOM 535 O THR A 38 -10.130 -7.176 2.680 1.00 0.00 O ATOM 536 CB THR A 38 -8.456 -8.551 4.729 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.225 -8.998 5.293 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.439 -9.681 5.040 1.00 0.00 C ATOM 0 H THR A 38 -7.480 -6.446 3.265 1.00 0.00 H new ATOM 0 HA THR A 38 -7.794 -9.394 2.881 1.00 0.00 H new ATOM 0 HB THR A 38 -8.859 -7.607 5.097 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.328 -9.102 6.262 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.616 -9.724 6.115 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.381 -9.496 4.524 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.021 -10.630 4.703 1.00 0.00 H new ATOM 546 N PRO A 39 -9.599 -8.958 1.338 1.00 0.00 N ATOM 547 CA PRO A 39 -10.737 -8.785 0.451 1.00 0.00 C ATOM 548 C PRO A 39 -12.029 -9.257 1.120 1.00 0.00 C ATOM 549 O PRO A 39 -12.216 -10.452 1.343 1.00 0.00 O ATOM 550 CB PRO A 39 -10.388 -9.580 -0.796 1.00 0.00 C ATOM 551 CG PRO A 39 -9.286 -10.542 -0.383 1.00 0.00 C ATOM 552 CD PRO A 39 -8.752 -10.087 0.966 1.00 0.00 C ATOM 0 HA PRO A 39 -10.922 -7.740 0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.257 -10.120 -1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.052 -8.922 -1.597 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.672 -11.559 -0.317 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.489 -10.551 -1.126 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.810 -10.886 1.705 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.705 -9.791 0.898 1.00 0.00 H new ATOM 560 N GLY A 40 -12.889 -8.295 1.420 1.00 0.00 N ATOM 561 CA GLY A 40 -14.159 -8.598 2.058 1.00 0.00 C ATOM 562 C GLY A 40 -15.027 -9.481 1.159 1.00 0.00 C ATOM 563 O GLY A 40 -14.513 -10.337 0.441 1.00 0.00 O ATOM 0 H GLY A 40 -12.731 -7.305 1.233 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.982 -9.103 3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.687 -7.672 2.283 1.00 0.00 H new ATOM 567 N ASP A 41 -16.328 -9.241 1.228 1.00 0.00 N ATOM 568 CA ASP A 41 -17.273 -10.004 0.430 1.00 0.00 C ATOM 569 C ASP A 41 -16.982 -9.774 -1.054 1.00 0.00 C ATOM 570 O ASP A 41 -16.310 -8.809 -1.417 1.00 0.00 O ATOM 571 CB ASP A 41 -18.711 -9.560 0.705 1.00 0.00 C ATOM 572 CG ASP A 41 -19.093 -9.484 2.184 1.00 0.00 C ATOM 573 OD1 ASP A 41 -19.359 -10.562 2.757 1.00 0.00 O ATOM 574 OD2 ASP A 41 -19.110 -8.350 2.708 1.00 0.00 O ATOM 0 H ASP A 41 -16.750 -8.529 1.824 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.165 -11.056 0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.865 -8.579 0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.390 -10.250 0.205 1.00 0.00 H new ATOM 579 N ASP A 42 -17.502 -10.676 -1.873 1.00 0.00 N ATOM 580 CA ASP A 42 -17.307 -10.584 -3.310 1.00 0.00 C ATOM 581 C ASP A 42 -18.643 -10.261 -3.982 1.00 0.00 C ATOM 582 O ASP A 42 -18.673 -9.815 -5.128 1.00 0.00 O ATOM 583 CB ASP A 42 -16.797 -11.908 -3.883 1.00 0.00 C ATOM 584 CG ASP A 42 -15.901 -12.717 -2.943 1.00 0.00 C ATOM 585 OD1 ASP A 42 -14.733 -12.304 -2.777 1.00 0.00 O ATOM 586 OD2 ASP A 42 -16.405 -13.730 -2.412 1.00 0.00 O ATOM 0 H ASP A 42 -18.059 -11.475 -1.569 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.572 -9.802 -3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.655 -12.521 -4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.244 -11.701 -4.799 1.00 0.00 H new ATOM 591 N ASN A 43 -19.715 -10.499 -3.241 1.00 0.00 N ATOM 592 CA ASN A 43 -21.050 -10.240 -3.751 1.00 0.00 C ATOM 593 C ASN A 43 -21.289 -11.091 -4.999 1.00 0.00 C ATOM 594 O ASN A 43 -21.388 -10.563 -6.106 1.00 0.00 O ATOM 595 CB ASN A 43 -21.214 -8.770 -4.143 1.00 0.00 C ATOM 596 CG ASN A 43 -21.314 -7.879 -2.903 1.00 0.00 C ATOM 597 OD1 ASN A 43 -22.226 -7.084 -2.750 1.00 0.00 O ATOM 598 ND2 ASN A 43 -20.327 -8.057 -2.029 1.00 0.00 N ATOM 0 H ASN A 43 -19.686 -10.869 -2.291 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.764 -10.486 -2.965 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.367 -8.456 -4.753 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -22.109 -8.651 -4.754 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -20.303 -7.510 -1.168 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -19.594 -8.740 -2.220 1.00 0.00 H new ATOM 605 N ASN A 44 -21.375 -12.395 -4.780 1.00 0.00 N ATOM 606 CA ASN A 44 -21.601 -13.325 -5.873 1.00 0.00 C ATOM 607 C ASN A 44 -20.373 -13.339 -6.786 1.00 0.00 C ATOM 608 O ASN A 44 -19.733 -14.376 -6.956 1.00 0.00 O ATOM 609 CB ASN A 44 -22.809 -12.905 -6.713 1.00 0.00 C ATOM 610 CG ASN A 44 -24.116 -13.176 -5.965 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.484 -14.307 -5.695 1.00 0.00 O ATOM 612 ND2 ASN A 44 -24.795 -12.077 -5.648 1.00 0.00 N ATOM 0 H ASN A 44 -21.292 -12.830 -3.861 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.784 -14.311 -5.445 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.737 -11.845 -6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.807 -13.449 -7.658 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -25.681 -12.151 -5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -24.429 -11.160 -5.904 1.00 0.00 H new ATOM 619 N SER A 45 -20.081 -12.177 -7.350 1.00 0.00 N ATOM 620 CA SER A 45 -18.941 -12.043 -8.241 1.00 0.00 C ATOM 621 C SER A 45 -17.640 -12.093 -7.438 1.00 0.00 C ATOM 622 O SER A 45 -17.379 -11.215 -6.617 1.00 0.00 O ATOM 623 CB SER A 45 -19.020 -10.742 -9.044 1.00 0.00 C ATOM 624 OG SER A 45 -17.874 -10.556 -9.871 1.00 0.00 O ATOM 0 H SER A 45 -20.614 -11.319 -7.207 1.00 0.00 H new ATOM 0 HA SER A 45 -18.957 -12.875 -8.945 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.917 -10.752 -9.664 1.00 0.00 H new ATOM 0 HB3 SER A 45 -19.115 -9.899 -8.360 1.00 0.00 H new ATOM 0 HG SER A 45 -17.426 -11.417 -10.007 1.00 0.00 H new ATOM 630 N PRO A 46 -16.837 -13.156 -7.711 1.00 0.00 N ATOM 631 CA PRO A 46 -15.569 -13.332 -7.023 1.00 0.00 C ATOM 632 C PRO A 46 -14.517 -12.357 -7.554 1.00 0.00 C ATOM 633 O PRO A 46 -14.628 -11.871 -8.679 1.00 0.00 O ATOM 634 CB PRO A 46 -15.198 -14.789 -7.249 1.00 0.00 C ATOM 635 CG PRO A 46 -16.028 -15.251 -8.436 1.00 0.00 C ATOM 636 CD PRO A 46 -17.114 -14.215 -8.677 1.00 0.00 C ATOM 0 HA PRO A 46 -15.634 -13.112 -5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.132 -14.894 -7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.413 -15.389 -6.365 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.401 -15.360 -9.321 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.469 -16.227 -8.236 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.081 -13.837 -9.699 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.107 -14.639 -8.526 1.00 0.00 H new ATOM 644 N ILE A 47 -13.519 -12.101 -6.721 1.00 0.00 N ATOM 645 CA ILE A 47 -12.448 -11.193 -7.093 1.00 0.00 C ATOM 646 C ILE A 47 -11.579 -11.849 -8.168 1.00 0.00 C ATOM 647 O ILE A 47 -11.464 -13.073 -8.216 1.00 0.00 O ATOM 648 CB ILE A 47 -11.665 -10.751 -5.855 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.627 -9.226 -5.745 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.263 -11.362 -5.846 1.00 0.00 C ATOM 651 CD1 ILE A 47 -11.049 -8.599 -7.015 1.00 0.00 C ATOM 0 H ILE A 47 -13.430 -12.507 -5.789 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.857 -10.280 -7.526 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.184 -11.124 -4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.634 -8.845 -5.573 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.024 -8.935 -4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.728 -11.032 -4.956 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.340 -12.449 -5.841 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.721 -11.041 -6.735 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.033 -7.514 -6.910 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.034 -8.963 -7.171 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.668 -8.872 -7.870 1.00 0.00 H new ATOM 663 N THR A 48 -10.989 -11.006 -9.003 1.00 0.00 N ATOM 664 CA THR A 48 -10.134 -11.489 -10.074 1.00 0.00 C ATOM 665 C THR A 48 -8.789 -10.762 -10.051 1.00 0.00 C ATOM 666 O THR A 48 -7.752 -11.357 -10.339 1.00 0.00 O ATOM 667 CB THR A 48 -10.891 -11.326 -11.393 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.087 -9.920 -11.510 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.310 -11.896 -11.329 1.00 0.00 C ATOM 0 H THR A 48 -11.086 -9.992 -8.959 1.00 0.00 H new ATOM 0 HA THR A 48 -9.899 -12.546 -9.947 1.00 0.00 H new ATOM 0 HB THR A 48 -10.337 -11.820 -12.192 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.527 -9.583 -10.702 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.803 -11.754 -12.291 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.265 -12.960 -11.098 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.875 -11.380 -10.553 1.00 0.00 H new ATOM 677 N LYS A 49 -8.849 -9.484 -9.707 1.00 0.00 N ATOM 678 CA LYS A 49 -7.648 -8.668 -9.643 1.00 0.00 C ATOM 679 C LYS A 49 -7.783 -7.657 -8.502 1.00 0.00 C ATOM 680 O LYS A 49 -8.891 -7.365 -8.055 1.00 0.00 O ATOM 681 CB LYS A 49 -7.363 -8.027 -11.002 1.00 0.00 C ATOM 682 CG LYS A 49 -6.836 -6.600 -10.836 1.00 0.00 C ATOM 683 CD LYS A 49 -6.499 -5.978 -12.192 1.00 0.00 C ATOM 684 CE LYS A 49 -7.770 -5.691 -12.995 1.00 0.00 C ATOM 685 NZ LYS A 49 -7.592 -6.093 -14.408 1.00 0.00 N ATOM 0 H LYS A 49 -9.711 -8.993 -9.470 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.779 -9.287 -9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.633 -8.627 -11.545 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.274 -8.015 -11.600 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.583 -5.990 -10.328 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.947 -6.608 -10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.942 -5.053 -12.043 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.853 -6.652 -12.755 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.611 -6.231 -12.560 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.010 -4.629 -12.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.463 -5.892 -14.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.802 -5.559 -14.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.385 -7.111 -14.456 1.00 0.00 H new ATOM 699 N PHE A 50 -6.640 -7.151 -8.064 1.00 0.00 N ATOM 700 CA PHE A 50 -6.616 -6.179 -6.984 1.00 0.00 C ATOM 701 C PHE A 50 -5.688 -5.010 -7.319 1.00 0.00 C ATOM 702 O PHE A 50 -4.469 -5.167 -7.340 1.00 0.00 O ATOM 703 CB PHE A 50 -6.082 -6.900 -5.745 1.00 0.00 C ATOM 704 CG PHE A 50 -7.121 -7.770 -5.034 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.203 -7.192 -4.446 1.00 0.00 C ATOM 706 CD2 PHE A 50 -6.963 -9.120 -4.991 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.168 -7.999 -3.787 1.00 0.00 C ATOM 708 CE2 PHE A 50 -7.928 -9.926 -4.331 1.00 0.00 C ATOM 709 CZ PHE A 50 -9.010 -9.349 -3.743 1.00 0.00 C ATOM 0 H PHE A 50 -5.723 -7.396 -8.438 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.617 -5.778 -6.822 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.238 -7.525 -6.037 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.702 -6.159 -5.042 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.328 -6.120 -4.480 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.104 -9.579 -5.458 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.028 -7.541 -3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.803 -10.998 -4.296 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.744 -9.963 -3.241 1.00 0.00 H new ATOM 719 N ILE A 51 -6.302 -3.863 -7.572 1.00 0.00 N ATOM 720 CA ILE A 51 -5.546 -2.668 -7.905 1.00 0.00 C ATOM 721 C ILE A 51 -5.181 -1.926 -6.618 1.00 0.00 C ATOM 722 O ILE A 51 -5.839 -2.094 -5.592 1.00 0.00 O ATOM 723 CB ILE A 51 -6.315 -1.810 -8.912 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.533 -2.568 -10.224 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.617 -0.467 -9.136 1.00 0.00 C ATOM 726 CD1 ILE A 51 -8.017 -2.873 -10.440 1.00 0.00 C ATOM 0 H ILE A 51 -7.314 -3.736 -7.553 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.610 -2.934 -8.397 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.299 -1.595 -8.496 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.154 -1.976 -11.057 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.965 -3.498 -10.210 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.185 0.123 -9.856 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.557 0.074 -8.191 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.612 -0.639 -9.520 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.145 -3.412 -11.379 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.386 -3.485 -9.617 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.579 -1.940 -10.478 1.00 0.00 H new ATOM 738 N ILE A 52 -4.133 -1.120 -6.714 1.00 0.00 N ATOM 739 CA ILE A 52 -3.673 -0.352 -5.570 1.00 0.00 C ATOM 740 C ILE A 52 -3.474 1.107 -5.987 1.00 0.00 C ATOM 741 O ILE A 52 -3.235 1.394 -7.159 1.00 0.00 O ATOM 742 CB ILE A 52 -2.424 -0.993 -4.961 1.00 0.00 C ATOM 743 CG1 ILE A 52 -2.782 -2.265 -4.189 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.661 0.009 -4.092 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.164 -3.499 -4.850 1.00 0.00 C ATOM 0 H ILE A 52 -3.590 -0.983 -7.566 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.424 -0.359 -4.780 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.759 -1.285 -5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.428 -2.183 -3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.866 -2.376 -4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.778 -0.472 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.355 0.860 -4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.306 0.354 -3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.433 -4.389 -4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.539 -3.592 -5.869 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.079 -3.396 -4.870 1.00 0.00 H new ATOM 757 N GLU A 53 -3.579 1.990 -5.005 1.00 0.00 N ATOM 758 CA GLU A 53 -3.414 3.411 -5.256 1.00 0.00 C ATOM 759 C GLU A 53 -2.748 4.088 -4.056 1.00 0.00 C ATOM 760 O GLU A 53 -2.698 3.519 -2.966 1.00 0.00 O ATOM 761 CB GLU A 53 -4.755 4.070 -5.582 1.00 0.00 C ATOM 762 CG GLU A 53 -5.221 3.697 -6.991 1.00 0.00 C ATOM 763 CD GLU A 53 -5.923 4.877 -7.667 1.00 0.00 C ATOM 764 OE1 GLU A 53 -7.003 5.257 -7.165 1.00 0.00 O ATOM 765 OE2 GLU A 53 -5.364 5.372 -8.669 1.00 0.00 O ATOM 0 H GLU A 53 -3.776 1.749 -4.034 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.766 3.534 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.504 3.759 -4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.661 5.153 -5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.365 3.386 -7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.900 2.846 -6.940 1.00 0.00 H new ATOM 772 N TYR A 54 -2.253 5.293 -4.296 1.00 0.00 N ATOM 773 CA TYR A 54 -1.593 6.053 -3.249 1.00 0.00 C ATOM 774 C TYR A 54 -1.686 7.556 -3.520 1.00 0.00 C ATOM 775 O TYR A 54 -1.874 7.974 -4.661 1.00 0.00 O ATOM 776 CB TYR A 54 -0.122 5.631 -3.284 1.00 0.00 C ATOM 777 CG TYR A 54 0.695 6.316 -4.382 1.00 0.00 C ATOM 778 CD1 TYR A 54 1.271 7.548 -4.146 1.00 0.00 C ATOM 779 CD2 TYR A 54 0.856 5.702 -5.607 1.00 0.00 C ATOM 780 CE1 TYR A 54 2.040 8.192 -5.179 1.00 0.00 C ATOM 781 CE2 TYR A 54 1.625 6.346 -6.640 1.00 0.00 C ATOM 782 CZ TYR A 54 2.179 7.559 -6.375 1.00 0.00 C ATOM 783 OH TYR A 54 2.906 8.168 -7.350 1.00 0.00 O ATOM 0 H TYR A 54 -2.296 5.762 -5.201 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.060 5.861 -2.283 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.332 5.850 -2.317 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.067 4.551 -3.424 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.145 8.029 -3.187 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.405 4.738 -5.791 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.496 9.156 -5.008 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.759 5.876 -7.603 1.00 0.00 H new ATOM 0 HH TYR A 54 2.922 7.601 -8.149 1.00 0.00 H new ATOM 793 N GLU A 55 -1.551 8.328 -2.451 1.00 0.00 N ATOM 794 CA GLU A 55 -1.619 9.775 -2.559 1.00 0.00 C ATOM 795 C GLU A 55 -0.423 10.416 -1.852 1.00 0.00 C ATOM 796 O GLU A 55 -0.043 9.994 -0.761 1.00 0.00 O ATOM 797 CB GLU A 55 -2.938 10.306 -1.995 1.00 0.00 C ATOM 798 CG GLU A 55 -3.194 9.760 -0.590 1.00 0.00 C ATOM 799 CD GLU A 55 -3.599 10.881 0.369 1.00 0.00 C ATOM 800 OE1 GLU A 55 -2.792 11.824 0.514 1.00 0.00 O ATOM 801 OE2 GLU A 55 -4.708 10.770 0.935 1.00 0.00 O ATOM 0 H GLU A 55 -1.395 7.978 -1.506 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.580 10.043 -3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.913 11.395 -1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.759 10.023 -2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.981 9.006 -0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.296 9.266 -0.219 1.00 0.00 H new ATOM 808 N ASP A 56 0.137 11.425 -2.503 1.00 0.00 N ATOM 809 CA ASP A 56 1.282 12.129 -1.950 1.00 0.00 C ATOM 810 C ASP A 56 0.792 13.265 -1.051 1.00 0.00 C ATOM 811 O ASP A 56 0.482 14.354 -1.533 1.00 0.00 O ATOM 812 CB ASP A 56 2.141 12.740 -3.059 1.00 0.00 C ATOM 813 CG ASP A 56 3.540 13.182 -2.624 1.00 0.00 C ATOM 814 OD1 ASP A 56 3.688 13.498 -1.424 1.00 0.00 O ATOM 815 OD2 ASP A 56 4.429 13.194 -3.502 1.00 0.00 O ATOM 0 H ASP A 56 -0.181 11.772 -3.408 1.00 0.00 H new ATOM 0 HA ASP A 56 1.878 11.412 -1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.240 12.012 -3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.616 13.602 -3.472 1.00 0.00 H new ATOM 820 N ALA A 57 0.737 12.974 0.240 1.00 0.00 N ATOM 821 CA ALA A 57 0.289 13.958 1.211 1.00 0.00 C ATOM 822 C ALA A 57 1.396 14.991 1.431 1.00 0.00 C ATOM 823 O ALA A 57 1.138 16.087 1.926 1.00 0.00 O ATOM 824 CB ALA A 57 -0.114 13.251 2.507 1.00 0.00 C ATOM 0 H ALA A 57 0.995 12.070 0.637 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.589 14.488 0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.450 13.989 3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.923 12.549 2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.743 12.710 2.908 1.00 0.00 H new ATOM 830 N MET A 58 2.606 14.605 1.053 1.00 0.00 N ATOM 831 CA MET A 58 3.753 15.484 1.202 1.00 0.00 C ATOM 832 C MET A 58 3.826 16.491 0.053 1.00 0.00 C ATOM 833 O MET A 58 4.660 17.395 0.067 1.00 0.00 O ATOM 834 CB MET A 58 5.035 14.650 1.233 1.00 0.00 C ATOM 835 CG MET A 58 6.257 15.532 1.498 1.00 0.00 C ATOM 836 SD MET A 58 7.707 14.515 1.720 1.00 0.00 S ATOM 837 CE MET A 58 7.637 14.254 3.484 1.00 0.00 C ATOM 0 H MET A 58 2.817 13.695 0.644 1.00 0.00 H new ATOM 0 HA MET A 58 3.645 16.035 2.136 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.958 13.887 2.008 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.157 14.129 0.283 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.408 16.218 0.665 1.00 0.00 H new ATOM 0 HG3 MET A 58 6.090 16.141 2.386 1.00 0.00 H new ATOM 0 HE1 MET A 58 8.217 13.369 3.744 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.051 15.122 3.997 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.601 14.112 3.790 1.00 0.00 H new ATOM 847 N HIS A 59 2.942 16.300 -0.915 1.00 0.00 N ATOM 848 CA HIS A 59 2.895 17.181 -2.070 1.00 0.00 C ATOM 849 C HIS A 59 1.440 17.523 -2.397 1.00 0.00 C ATOM 850 O HIS A 59 1.004 18.654 -2.190 1.00 0.00 O ATOM 851 CB HIS A 59 3.639 16.561 -3.256 1.00 0.00 C ATOM 852 CG HIS A 59 5.142 16.564 -3.107 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.857 15.451 -2.701 1.00 0.00 N ATOM 854 CD2 HIS A 59 6.056 17.555 -3.315 1.00 0.00 C ATOM 855 CE1 HIS A 59 7.143 15.769 -2.669 1.00 0.00 C ATOM 856 NE2 HIS A 59 7.264 17.073 -3.049 1.00 0.00 N ATOM 0 H HIS A 59 2.253 15.548 -0.923 1.00 0.00 H new ATOM 0 HA HIS A 59 3.408 18.115 -1.840 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.299 15.534 -3.388 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.373 17.104 -4.163 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.835 18.561 -3.641 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.953 15.111 -2.391 1.00 0.00 H new ATOM 0 HE2 HIS A 59 8.139 17.593 -3.118 1.00 0.00 H new ATOM 864 N LYS A 60 0.730 16.525 -2.901 1.00 0.00 N ATOM 865 CA LYS A 60 -0.667 16.706 -3.258 1.00 0.00 C ATOM 866 C LYS A 60 -1.513 15.651 -2.543 1.00 0.00 C ATOM 867 O LYS A 60 -1.659 14.531 -3.031 1.00 0.00 O ATOM 868 CB LYS A 60 -0.836 16.703 -4.779 1.00 0.00 C ATOM 869 CG LYS A 60 -0.218 17.956 -5.402 1.00 0.00 C ATOM 870 CD LYS A 60 -1.061 18.457 -6.576 1.00 0.00 C ATOM 871 CE LYS A 60 -0.553 17.882 -7.900 1.00 0.00 C ATOM 872 NZ LYS A 60 -0.690 18.880 -8.985 1.00 0.00 N ATOM 0 H LYS A 60 1.096 15.588 -3.071 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.023 17.680 -2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.366 15.814 -5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.895 16.652 -5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.136 18.739 -4.648 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.793 17.736 -5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.103 18.173 -6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.030 19.546 -6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.492 17.588 -7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.115 16.983 -8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.341 18.474 -9.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.691 19.141 -9.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.135 19.727 -8.750 1.00 0.00 H new ATOM 886 N PRO A 61 -2.062 16.055 -1.366 1.00 0.00 N ATOM 887 CA PRO A 61 -2.890 15.157 -0.579 1.00 0.00 C ATOM 888 C PRO A 61 -4.274 14.993 -1.209 1.00 0.00 C ATOM 889 O PRO A 61 -4.881 15.970 -1.646 1.00 0.00 O ATOM 890 CB PRO A 61 -2.938 15.779 0.807 1.00 0.00 C ATOM 891 CG PRO A 61 -2.527 17.232 0.626 1.00 0.00 C ATOM 892 CD PRO A 61 -1.911 17.373 -0.757 1.00 0.00 C ATOM 0 HA PRO A 61 -2.487 14.145 -0.533 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.939 15.706 1.233 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.262 15.264 1.490 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.391 17.889 0.728 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.812 17.525 1.394 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.420 18.140 -1.341 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.862 17.663 -0.696 1.00 0.00 H new ATOM 900 N GLY A 62 -4.733 13.750 -1.236 1.00 0.00 N ATOM 901 CA GLY A 62 -6.035 13.446 -1.805 1.00 0.00 C ATOM 902 C GLY A 62 -5.902 12.968 -3.252 1.00 0.00 C ATOM 903 O GLY A 62 -6.832 12.381 -3.804 1.00 0.00 O ATOM 0 H GLY A 62 -4.227 12.942 -0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.526 12.678 -1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.668 14.332 -1.768 1.00 0.00 H new ATOM 907 N LEU A 63 -4.739 13.236 -3.826 1.00 0.00 N ATOM 908 CA LEU A 63 -4.472 12.840 -5.199 1.00 0.00 C ATOM 909 C LEU A 63 -4.014 11.381 -5.224 1.00 0.00 C ATOM 910 O LEU A 63 -2.833 11.093 -5.033 1.00 0.00 O ATOM 911 CB LEU A 63 -3.482 13.807 -5.852 1.00 0.00 C ATOM 912 CG LEU A 63 -3.957 14.485 -7.139 1.00 0.00 C ATOM 913 CD1 LEU A 63 -3.574 15.966 -7.152 1.00 0.00 C ATOM 914 CD2 LEU A 63 -3.434 13.746 -8.373 1.00 0.00 C ATOM 0 H LEU A 63 -3.970 13.723 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.381 12.899 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.230 14.582 -5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.563 13.263 -6.069 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.045 14.434 -7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.923 16.424 -8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.035 16.469 -6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.490 16.062 -7.086 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.786 14.248 -9.274 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.344 13.744 -8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.799 12.719 -8.364 1.00 0.00 H new ATOM 926 N TRP A 64 -4.972 10.497 -5.462 1.00 0.00 N ATOM 927 CA TRP A 64 -4.682 9.075 -5.515 1.00 0.00 C ATOM 928 C TRP A 64 -4.303 8.723 -6.955 1.00 0.00 C ATOM 929 O TRP A 64 -4.912 9.222 -7.901 1.00 0.00 O ATOM 930 CB TRP A 64 -5.863 8.254 -4.991 1.00 0.00 C ATOM 931 CG TRP A 64 -6.280 8.608 -3.562 1.00 0.00 C ATOM 932 CD1 TRP A 64 -7.074 9.609 -3.158 1.00 0.00 C ATOM 933 CD2 TRP A 64 -5.890 7.917 -2.356 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.224 9.614 -1.786 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.481 8.552 -1.283 1.00 0.00 C ATOM 936 CE3 TRP A 64 -5.065 6.793 -2.178 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.310 8.137 0.043 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.904 6.390 -0.847 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.492 7.018 0.244 1.00 0.00 C ATOM 0 H TRP A 64 -5.950 10.739 -5.620 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.844 8.828 -4.863 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.716 8.399 -5.654 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.604 7.196 -5.032 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.538 10.322 -3.823 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.778 10.275 -1.241 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.593 6.281 -3.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.783 8.652 0.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.279 5.531 -0.655 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.319 6.645 1.243 1.00 0.00 H new ATOM 950 N HIS A 65 -3.299 7.867 -7.077 1.00 0.00 N ATOM 951 CA HIS A 65 -2.832 7.443 -8.385 1.00 0.00 C ATOM 952 C HIS A 65 -2.842 5.915 -8.464 1.00 0.00 C ATOM 953 O HIS A 65 -3.197 5.242 -7.497 1.00 0.00 O ATOM 954 CB HIS A 65 -1.458 8.042 -8.692 1.00 0.00 C ATOM 955 CG HIS A 65 -1.395 9.543 -8.541 1.00 0.00 C ATOM 956 ND1 HIS A 65 -1.539 10.411 -9.609 1.00 0.00 N ATOM 957 CD2 HIS A 65 -1.204 10.321 -7.436 1.00 0.00 C ATOM 958 CE1 HIS A 65 -1.437 11.652 -9.157 1.00 0.00 C ATOM 959 NE2 HIS A 65 -1.228 11.594 -7.810 1.00 0.00 N ATOM 0 H HIS A 65 -2.796 7.456 -6.291 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.508 7.817 -9.154 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.720 7.589 -8.030 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.177 7.778 -9.711 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.697 10.141 -10.580 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.058 9.962 -6.428 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.507 12.552 -9.750 1.00 0.00 H new ATOM 967 N HIS A 66 -2.450 5.411 -9.625 1.00 0.00 N ATOM 968 CA HIS A 66 -2.410 3.975 -9.842 1.00 0.00 C ATOM 969 C HIS A 66 -1.001 3.452 -9.559 1.00 0.00 C ATOM 970 O HIS A 66 -0.054 3.795 -10.265 1.00 0.00 O ATOM 971 CB HIS A 66 -2.901 3.625 -11.249 1.00 0.00 C ATOM 972 CG HIS A 66 -3.353 2.192 -11.402 1.00 0.00 C ATOM 973 ND1 HIS A 66 -2.623 1.120 -10.919 1.00 0.00 N ATOM 974 CD2 HIS A 66 -4.467 1.667 -11.988 1.00 0.00 C ATOM 975 CE1 HIS A 66 -3.277 0.004 -11.208 1.00 0.00 C ATOM 976 NE2 HIS A 66 -4.419 0.345 -11.871 1.00 0.00 N ATOM 0 H HIS A 66 -2.157 5.972 -10.425 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.090 3.480 -9.149 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.728 4.286 -11.509 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.100 3.821 -11.962 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.255 2.231 -12.466 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -2.961 -0.999 -10.962 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.121 -0.308 -12.220 1.00 0.00 H new ATOM 984 N GLN A 67 -0.906 2.630 -8.524 1.00 0.00 N ATOM 985 CA GLN A 67 0.372 2.057 -8.138 1.00 0.00 C ATOM 986 C GLN A 67 0.622 0.756 -8.904 1.00 0.00 C ATOM 987 O GLN A 67 1.411 0.729 -9.847 1.00 0.00 O ATOM 988 CB GLN A 67 0.435 1.824 -6.627 1.00 0.00 C ATOM 989 CG GLN A 67 1.780 1.219 -6.221 1.00 0.00 C ATOM 990 CD GLN A 67 2.610 2.219 -5.413 1.00 0.00 C ATOM 991 OE1 GLN A 67 2.954 3.295 -5.874 1.00 0.00 O ATOM 992 NE2 GLN A 67 2.910 1.805 -4.185 1.00 0.00 N ATOM 0 H GLN A 67 -1.694 2.347 -7.941 1.00 0.00 H new ATOM 0 HA GLN A 67 1.159 2.766 -8.396 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.284 2.768 -6.103 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.373 1.159 -6.324 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.614 0.318 -5.631 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.332 0.919 -7.112 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.590 0.892 -3.862 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.460 2.401 -3.566 1.00 0.00 H new ATOM 1001 N THR A 68 -0.064 -0.291 -8.469 1.00 0.00 N ATOM 1002 CA THR A 68 0.075 -1.592 -9.101 1.00 0.00 C ATOM 1003 C THR A 68 -1.107 -2.492 -8.734 1.00 0.00 C ATOM 1004 O THR A 68 -1.796 -2.245 -7.746 1.00 0.00 O ATOM 1005 CB THR A 68 1.430 -2.173 -8.696 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.533 -3.376 -9.453 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.453 -2.645 -7.241 1.00 0.00 C ATOM 0 H THR A 68 -0.718 -0.265 -7.686 1.00 0.00 H new ATOM 0 HA THR A 68 0.054 -1.508 -10.188 1.00 0.00 H new ATOM 0 HB THR A 68 2.206 -1.422 -8.847 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.385 -3.817 -9.252 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.438 -3.049 -7.005 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.238 -1.804 -6.582 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.700 -3.420 -7.098 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.305 -3.517 -9.550 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.391 -4.455 -9.323 1.00 0.00 C ATOM 1017 C GLU A 69 -1.858 -5.889 -9.300 1.00 0.00 C ATOM 1018 O GLU A 69 -0.732 -6.143 -9.726 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.484 -4.294 -10.381 1.00 0.00 C ATOM 1020 CG GLU A 69 -2.899 -4.380 -11.792 1.00 0.00 C ATOM 1021 CD GLU A 69 -2.445 -5.806 -12.110 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -3.018 -6.734 -11.501 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.534 -5.935 -12.957 1.00 0.00 O ATOM 0 H GLU A 69 -0.732 -3.718 -10.369 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.836 -4.238 -8.352 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.240 -5.068 -10.249 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.984 -3.335 -10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.646 -4.061 -12.519 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.054 -3.697 -11.882 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.691 -6.788 -8.798 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.318 -8.190 -8.714 1.00 0.00 C ATOM 1032 C VAL A 70 -3.533 -9.058 -9.048 1.00 0.00 C ATOM 1033 O VAL A 70 -4.589 -8.541 -9.409 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.728 -8.492 -7.335 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.204 -8.606 -7.403 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.154 -7.437 -6.313 1.00 0.00 C ATOM 0 H VAL A 70 -3.624 -6.573 -8.445 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.542 -8.423 -9.443 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.121 -9.454 -7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.189 -8.821 -6.409 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.071 -9.411 -8.084 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.215 -7.667 -7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.721 -7.676 -5.342 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.804 -6.456 -6.635 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.241 -7.426 -6.233 1.00 0.00 H new ATOM 1046 N SER A 71 -3.342 -10.362 -8.916 1.00 0.00 N ATOM 1047 CA SER A 71 -4.409 -11.307 -9.199 1.00 0.00 C ATOM 1048 C SER A 71 -5.389 -11.358 -8.025 1.00 0.00 C ATOM 1049 O SER A 71 -5.098 -10.841 -6.947 1.00 0.00 O ATOM 1050 CB SER A 71 -3.849 -12.702 -9.484 1.00 0.00 C ATOM 1051 OG SER A 71 -4.088 -13.109 -10.828 1.00 0.00 O ATOM 0 H SER A 71 -2.464 -10.787 -8.617 1.00 0.00 H new ATOM 0 HA SER A 71 -4.937 -10.968 -10.090 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.777 -12.709 -9.288 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.302 -13.421 -8.802 1.00 0.00 H new ATOM 0 HG SER A 71 -3.714 -14.004 -10.970 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.529 -11.985 -8.273 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.553 -12.110 -7.250 1.00 0.00 C ATOM 1059 C GLY A 72 -7.332 -13.366 -6.404 1.00 0.00 C ATOM 1060 O GLY A 72 -8.246 -13.827 -5.721 1.00 0.00 O ATOM 0 H GLY A 72 -6.766 -12.412 -9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.541 -11.229 -6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.537 -12.151 -7.718 1.00 0.00 H new ATOM 1064 N THR A 73 -6.115 -13.883 -6.477 1.00 0.00 N ATOM 1065 CA THR A 73 -5.762 -15.076 -5.726 1.00 0.00 C ATOM 1066 C THR A 73 -4.786 -14.729 -4.600 1.00 0.00 C ATOM 1067 O THR A 73 -4.739 -15.417 -3.582 1.00 0.00 O ATOM 1068 CB THR A 73 -5.211 -16.109 -6.711 1.00 0.00 C ATOM 1069 OG1 THR A 73 -6.314 -16.978 -6.956 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.155 -17.017 -6.078 1.00 0.00 C ATOM 0 H THR A 73 -5.360 -13.498 -7.045 1.00 0.00 H new ATOM 0 HA THR A 73 -6.635 -15.507 -5.235 1.00 0.00 H new ATOM 0 HB THR A 73 -4.780 -15.596 -7.571 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.045 -17.678 -7.587 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.797 -17.731 -6.820 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.320 -16.412 -5.724 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.594 -17.555 -5.238 1.00 0.00 H new ATOM 1078 N GLN A 74 -4.032 -13.663 -4.822 1.00 0.00 N ATOM 1079 CA GLN A 74 -3.060 -13.216 -3.839 1.00 0.00 C ATOM 1080 C GLN A 74 -3.644 -12.084 -2.992 1.00 0.00 C ATOM 1081 O GLN A 74 -4.690 -11.529 -3.326 1.00 0.00 O ATOM 1082 CB GLN A 74 -1.758 -12.781 -4.514 1.00 0.00 C ATOM 1083 CG GLN A 74 -1.878 -11.363 -5.075 1.00 0.00 C ATOM 1084 CD GLN A 74 -0.498 -10.761 -5.346 1.00 0.00 C ATOM 1085 OE1 GLN A 74 0.340 -11.341 -6.016 1.00 0.00 O ATOM 1086 NE2 GLN A 74 -0.309 -9.568 -4.789 1.00 0.00 N ATOM 0 H GLN A 74 -4.074 -13.095 -5.668 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.827 -14.053 -3.180 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.940 -12.823 -3.795 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.512 -13.474 -5.318 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.458 -11.381 -5.998 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.421 -10.734 -4.370 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.053 -9.138 -4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.580 -9.083 -4.911 1.00 0.00 H new ATOM 1095 N THR A 75 -2.942 -11.774 -1.911 1.00 0.00 N ATOM 1096 CA THR A 75 -3.378 -10.718 -1.014 1.00 0.00 C ATOM 1097 C THR A 75 -2.173 -9.938 -0.484 1.00 0.00 C ATOM 1098 O THR A 75 -2.292 -9.185 0.482 1.00 0.00 O ATOM 1099 CB THR A 75 -4.223 -11.354 0.091 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.502 -12.531 0.446 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.563 -11.881 -0.427 1.00 0.00 C ATOM 0 H THR A 75 -2.075 -12.236 -1.637 1.00 0.00 H new ATOM 0 HA THR A 75 -3.996 -9.987 -1.535 1.00 0.00 H new ATOM 0 HB THR A 75 -4.400 -10.622 0.879 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.979 -13.004 1.159 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.124 -12.322 0.397 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.136 -11.059 -0.856 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.385 -12.638 -1.191 1.00 0.00 H new ATOM 1109 N THR A 76 -1.040 -10.145 -1.138 1.00 0.00 N ATOM 1110 CA THR A 76 0.186 -9.470 -0.745 1.00 0.00 C ATOM 1111 C THR A 76 0.948 -8.986 -1.980 1.00 0.00 C ATOM 1112 O THR A 76 1.276 -9.778 -2.862 1.00 0.00 O ATOM 1113 CB THR A 76 0.994 -10.431 0.129 1.00 0.00 C ATOM 1114 OG1 THR A 76 1.210 -11.564 -0.708 1.00 0.00 O ATOM 1115 CG2 THR A 76 0.179 -10.983 1.301 1.00 0.00 C ATOM 0 H THR A 76 -0.945 -10.771 -1.938 1.00 0.00 H new ATOM 0 HA THR A 76 -0.025 -8.574 -0.161 1.00 0.00 H new ATOM 0 HB THR A 76 1.877 -9.919 0.511 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.144 -11.294 -1.648 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.799 -11.659 1.889 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.157 -10.159 1.931 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.687 -11.524 0.919 1.00 0.00 H new ATOM 1123 N ALA A 77 1.207 -7.687 -2.004 1.00 0.00 N ATOM 1124 CA ALA A 77 1.924 -7.087 -3.116 1.00 0.00 C ATOM 1125 C ALA A 77 3.058 -6.214 -2.575 1.00 0.00 C ATOM 1126 O ALA A 77 2.905 -5.561 -1.544 1.00 0.00 O ATOM 1127 CB ALA A 77 0.946 -6.297 -3.988 1.00 0.00 C ATOM 0 H ALA A 77 0.933 -7.033 -1.271 1.00 0.00 H new ATOM 0 HA ALA A 77 2.372 -7.857 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.484 -5.847 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.177 -6.968 -4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.479 -5.513 -3.392 1.00 0.00 H new ATOM 1133 N GLN A 78 4.170 -6.231 -3.295 1.00 0.00 N ATOM 1134 CA GLN A 78 5.329 -5.449 -2.900 1.00 0.00 C ATOM 1135 C GLN A 78 5.146 -3.985 -3.306 1.00 0.00 C ATOM 1136 O GLN A 78 4.744 -3.695 -4.432 1.00 0.00 O ATOM 1137 CB GLN A 78 6.612 -6.028 -3.500 1.00 0.00 C ATOM 1138 CG GLN A 78 7.154 -7.169 -2.637 1.00 0.00 C ATOM 1139 CD GLN A 78 7.877 -8.209 -3.496 1.00 0.00 C ATOM 1140 OE1 GLN A 78 9.094 -8.284 -3.533 1.00 0.00 O ATOM 1141 NE2 GLN A 78 7.061 -9.005 -4.182 1.00 0.00 N ATOM 0 H GLN A 78 4.293 -6.774 -4.150 1.00 0.00 H new ATOM 0 HA GLN A 78 5.421 -5.496 -1.815 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.414 -6.392 -4.508 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.364 -5.244 -3.586 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.839 -6.770 -1.889 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.334 -7.644 -2.098 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.051 -8.888 -4.105 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.446 -9.732 -4.785 1.00 0.00 H new ATOM 1150 N LEU A 79 5.449 -3.101 -2.367 1.00 0.00 N ATOM 1151 CA LEU A 79 5.322 -1.675 -2.613 1.00 0.00 C ATOM 1152 C LEU A 79 6.708 -1.029 -2.568 1.00 0.00 C ATOM 1153 O LEU A 79 7.374 -1.051 -1.534 1.00 0.00 O ATOM 1154 CB LEU A 79 4.321 -1.050 -1.639 1.00 0.00 C ATOM 1155 CG LEU A 79 2.890 -1.587 -1.711 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.895 -0.576 -1.138 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.531 -1.999 -3.140 1.00 0.00 C ATOM 0 H LEU A 79 5.782 -3.345 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 79 4.918 -1.495 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.692 -1.196 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.294 0.025 -1.817 1.00 0.00 H new ATOM 0 HG LEU A 79 2.829 -2.483 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.886 -0.983 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.140 -0.375 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.949 0.351 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.509 -2.377 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.614 -1.135 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.214 -2.779 -3.476 1.00 0.00 H new ATOM 1169 N ASN A 80 7.102 -0.469 -3.703 1.00 0.00 N ATOM 1170 CA ASN A 80 8.397 0.182 -3.806 1.00 0.00 C ATOM 1171 C ASN A 80 8.302 1.592 -3.220 1.00 0.00 C ATOM 1172 O ASN A 80 7.699 2.480 -3.821 1.00 0.00 O ATOM 1173 CB ASN A 80 8.836 0.306 -5.266 1.00 0.00 C ATOM 1174 CG ASN A 80 10.243 -0.261 -5.466 1.00 0.00 C ATOM 1175 OD1 ASN A 80 11.242 0.357 -5.135 1.00 0.00 O ATOM 1176 ND2 ASN A 80 10.266 -1.468 -6.023 1.00 0.00 N ATOM 0 H ASN A 80 6.547 -0.453 -4.559 1.00 0.00 H new ATOM 0 HA ASN A 80 9.122 -0.422 -3.261 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.132 -0.224 -5.907 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.816 1.353 -5.568 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.157 -1.932 -6.197 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.392 -1.930 -6.276 1.00 0.00 H new ATOM 1183 N LEU A 81 8.907 1.755 -2.052 1.00 0.00 N ATOM 1184 CA LEU A 81 8.899 3.042 -1.378 1.00 0.00 C ATOM 1185 C LEU A 81 10.222 3.762 -1.646 1.00 0.00 C ATOM 1186 O LEU A 81 11.244 3.121 -1.885 1.00 0.00 O ATOM 1187 CB LEU A 81 8.584 2.866 0.109 1.00 0.00 C ATOM 1188 CG LEU A 81 7.276 2.143 0.437 1.00 0.00 C ATOM 1189 CD1 LEU A 81 6.754 2.552 1.815 1.00 0.00 C ATOM 1190 CD2 LEU A 81 6.235 2.369 -0.661 1.00 0.00 C ATOM 0 H LEU A 81 9.406 1.017 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 81 8.106 3.675 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.405 2.318 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.557 3.852 0.573 1.00 0.00 H new ATOM 0 HG LEU A 81 7.477 1.072 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.824 2.024 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.493 2.298 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.572 3.627 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.315 1.845 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.031 3.436 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.617 1.988 -1.608 1.00 0.00 H new ATOM 1202 N SER A 82 10.161 5.084 -1.596 1.00 0.00 N ATOM 1203 CA SER A 82 11.342 5.898 -1.830 1.00 0.00 C ATOM 1204 C SER A 82 11.498 6.928 -0.710 1.00 0.00 C ATOM 1205 O SER A 82 10.540 7.225 0.004 1.00 0.00 O ATOM 1206 CB SER A 82 11.268 6.598 -3.188 1.00 0.00 C ATOM 1207 OG SER A 82 12.172 6.030 -4.132 1.00 0.00 O ATOM 0 H SER A 82 9.312 5.613 -1.397 1.00 0.00 H new ATOM 0 HA SER A 82 12.213 5.243 -1.836 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.251 6.532 -3.575 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.493 7.657 -3.063 1.00 0.00 H new ATOM 0 HG SER A 82 12.093 6.503 -4.986 1.00 0.00 H new ATOM 1213 N PRO A 83 12.744 7.459 -0.586 1.00 0.00 N ATOM 1214 CA PRO A 83 13.037 8.450 0.435 1.00 0.00 C ATOM 1215 C PRO A 83 12.456 9.814 0.059 1.00 0.00 C ATOM 1216 O PRO A 83 12.398 10.165 -1.118 1.00 0.00 O ATOM 1217 CB PRO A 83 14.553 8.461 0.548 1.00 0.00 C ATOM 1218 CG PRO A 83 15.071 7.822 -0.730 1.00 0.00 C ATOM 1219 CD PRO A 83 13.902 7.131 -1.413 1.00 0.00 C ATOM 0 HA PRO A 83 12.580 8.212 1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.929 9.478 0.656 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.883 7.904 1.425 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.504 8.577 -1.386 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.860 7.104 -0.505 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.773 7.488 -2.435 1.00 0.00 H new ATOM 0 HD3 PRO A 83 14.056 6.053 -1.469 1.00 0.00 H new ATOM 1227 N TYR A 84 12.039 10.546 1.082 1.00 0.00 N ATOM 1228 CA TYR A 84 11.464 11.864 0.873 1.00 0.00 C ATOM 1229 C TYR A 84 10.183 11.778 0.042 1.00 0.00 C ATOM 1230 O TYR A 84 10.166 12.174 -1.123 1.00 0.00 O ATOM 1231 CB TYR A 84 12.511 12.663 0.094 1.00 0.00 C ATOM 1232 CG TYR A 84 13.933 12.524 0.641 1.00 0.00 C ATOM 1233 CD1 TYR A 84 14.304 13.210 1.780 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.844 11.714 -0.004 1.00 0.00 C ATOM 1235 CE1 TYR A 84 15.643 13.080 2.295 1.00 0.00 C ATOM 1236 CE2 TYR A 84 16.183 11.583 0.511 1.00 0.00 C ATOM 1237 CZ TYR A 84 16.516 12.273 1.635 1.00 0.00 C ATOM 1238 OH TYR A 84 17.780 12.150 2.121 1.00 0.00 O ATOM 0 H TYR A 84 12.088 10.251 2.057 1.00 0.00 H new ATOM 0 HA TYR A 84 11.210 12.327 1.826 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.500 12.339 -0.947 1.00 0.00 H new ATOM 0 HB3 TYR A 84 12.230 13.716 0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 84 13.590 13.844 2.285 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.554 11.178 -0.895 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.947 13.611 3.185 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.906 10.951 0.016 1.00 0.00 H new ATOM 0 HH TYR A 84 18.292 11.541 1.549 1.00 0.00 H new ATOM 1248 N VAL A 85 9.140 11.259 0.672 1.00 0.00 N ATOM 1249 CA VAL A 85 7.857 11.115 0.005 1.00 0.00 C ATOM 1250 C VAL A 85 6.875 10.411 0.943 1.00 0.00 C ATOM 1251 O VAL A 85 7.036 9.228 1.242 1.00 0.00 O ATOM 1252 CB VAL A 85 8.039 10.386 -1.328 1.00 0.00 C ATOM 1253 CG1 VAL A 85 8.845 9.099 -1.143 1.00 0.00 C ATOM 1254 CG2 VAL A 85 6.687 10.097 -1.983 1.00 0.00 C ATOM 0 H VAL A 85 9.157 10.933 1.638 1.00 0.00 H new ATOM 0 HA VAL A 85 7.437 12.093 -0.230 1.00 0.00 H new ATOM 0 HB VAL A 85 8.601 11.040 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.960 8.600 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.828 9.340 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.322 8.438 -0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.844 9.578 -2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.088 9.471 -1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.164 11.035 -2.166 1.00 0.00 H new ATOM 1264 N ASN A 86 5.879 11.167 1.382 1.00 0.00 N ATOM 1265 CA ASN A 86 4.871 10.630 2.280 1.00 0.00 C ATOM 1266 C ASN A 86 3.562 10.435 1.512 1.00 0.00 C ATOM 1267 O ASN A 86 3.119 11.332 0.797 1.00 0.00 O ATOM 1268 CB ASN A 86 4.600 11.589 3.441 1.00 0.00 C ATOM 1269 CG ASN A 86 3.928 10.862 4.607 1.00 0.00 C ATOM 1270 OD1 ASN A 86 3.591 9.692 4.532 1.00 0.00 O ATOM 1271 ND2 ASN A 86 3.753 11.618 5.687 1.00 0.00 N ATOM 0 H ASN A 86 5.749 12.147 1.132 1.00 0.00 H new ATOM 0 HA ASN A 86 5.240 9.683 2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.537 12.034 3.776 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.963 12.406 3.102 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.313 11.225 6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 86 4.059 12.591 5.683 1.00 0.00 H new ATOM 1278 N TYR A 87 2.980 9.258 1.687 1.00 0.00 N ATOM 1279 CA TYR A 87 1.730 8.935 1.020 1.00 0.00 C ATOM 1280 C TYR A 87 1.059 7.723 1.670 1.00 0.00 C ATOM 1281 O TYR A 87 1.659 7.051 2.507 1.00 0.00 O ATOM 1282 CB TYR A 87 2.101 8.584 -0.422 1.00 0.00 C ATOM 1283 CG TYR A 87 3.356 7.718 -0.549 1.00 0.00 C ATOM 1284 CD1 TYR A 87 4.606 8.295 -0.447 1.00 0.00 C ATOM 1285 CD2 TYR A 87 3.239 6.361 -0.767 1.00 0.00 C ATOM 1286 CE1 TYR A 87 5.787 7.480 -0.566 1.00 0.00 C ATOM 1287 CE2 TYR A 87 4.420 5.546 -0.886 1.00 0.00 C ATOM 1288 CZ TYR A 87 5.636 6.146 -0.780 1.00 0.00 C ATOM 1289 OH TYR A 87 6.751 5.376 -0.893 1.00 0.00 O ATOM 0 H TYR A 87 3.351 8.516 2.281 1.00 0.00 H new ATOM 0 HA TYR A 87 1.034 9.772 1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.264 8.062 -0.885 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.251 9.507 -0.983 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.698 9.358 -0.278 1.00 0.00 H new ATOM 0 HD2 TYR A 87 2.261 5.910 -0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.771 7.919 -0.487 1.00 0.00 H new ATOM 0 HE2 TYR A 87 4.342 4.482 -1.056 1.00 0.00 H new ATOM 0 HH TYR A 87 7.473 5.766 -0.358 1.00 0.00 H new ATOM 1299 N SER A 88 -0.178 7.481 1.260 1.00 0.00 N ATOM 1300 CA SER A 88 -0.937 6.363 1.793 1.00 0.00 C ATOM 1301 C SER A 88 -0.994 5.232 0.764 1.00 0.00 C ATOM 1302 O SER A 88 -0.427 5.347 -0.322 1.00 0.00 O ATOM 1303 CB SER A 88 -2.351 6.794 2.185 1.00 0.00 C ATOM 1304 OG SER A 88 -2.362 7.558 3.388 1.00 0.00 O ATOM 0 H SER A 88 -0.673 8.040 0.565 1.00 0.00 H new ATOM 0 HA SER A 88 -0.433 6.005 2.691 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.788 7.382 1.378 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.977 5.911 2.311 1.00 0.00 H new ATOM 0 HG SER A 88 -3.283 7.816 3.604 1.00 0.00 H new ATOM 1310 N PHE A 89 -1.683 4.165 1.141 1.00 0.00 N ATOM 1311 CA PHE A 89 -1.821 3.015 0.265 1.00 0.00 C ATOM 1312 C PHE A 89 -3.275 2.542 0.205 1.00 0.00 C ATOM 1313 O PHE A 89 -3.896 2.301 1.238 1.00 0.00 O ATOM 1314 CB PHE A 89 -0.958 1.897 0.854 1.00 0.00 C ATOM 1315 CG PHE A 89 0.545 2.177 0.800 1.00 0.00 C ATOM 1316 CD1 PHE A 89 1.130 2.526 -0.377 1.00 0.00 C ATOM 1317 CD2 PHE A 89 1.296 2.077 1.929 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.525 2.786 -0.427 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.691 2.337 1.879 1.00 0.00 C ATOM 1320 CZ PHE A 89 3.276 2.686 0.702 1.00 0.00 C ATOM 0 H PHE A 89 -2.152 4.073 2.042 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.511 3.279 -0.746 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.250 1.735 1.892 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.164 0.971 0.317 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.533 2.605 -1.274 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.832 1.800 2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.989 3.063 -1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.288 2.258 2.776 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.337 2.884 0.664 1.00 0.00 H new ATOM 1330 N ARG A 90 -3.776 2.424 -1.017 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.145 1.985 -1.225 1.00 0.00 C ATOM 1332 C ARG A 90 -5.166 0.572 -1.810 1.00 0.00 C ATOM 1333 O ARG A 90 -4.119 0.018 -2.143 1.00 0.00 O ATOM 1334 CB ARG A 90 -5.889 2.932 -2.169 1.00 0.00 C ATOM 1335 CG ARG A 90 -7.318 3.181 -1.681 1.00 0.00 C ATOM 1336 CD ARG A 90 -7.674 4.667 -1.764 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.924 5.049 -3.172 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.433 6.229 -3.551 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -8.751 7.149 -2.630 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -8.626 6.489 -4.851 1.00 0.00 N ATOM 0 H ARG A 90 -3.258 2.625 -1.872 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.645 1.988 -0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.354 3.879 -2.236 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.912 2.507 -3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.018 2.601 -2.283 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.420 2.836 -0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.558 4.872 -1.160 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.862 5.268 -1.354 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.694 4.372 -3.899 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.606 6.951 -1.640 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.138 8.047 -2.919 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.385 5.789 -5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.014 7.387 -5.139 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.369 0.028 -1.919 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.540 -1.310 -2.458 1.00 0.00 C ATOM 1356 C VAL A 91 -7.935 -1.432 -3.074 1.00 0.00 C ATOM 1357 O VAL A 91 -8.939 -1.241 -2.389 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.274 -2.351 -1.369 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.388 -3.771 -1.928 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.908 -2.126 -0.718 1.00 0.00 C ATOM 0 H VAL A 91 -7.235 0.490 -1.643 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.817 -1.498 -3.251 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.036 -2.232 -0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.194 -4.491 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.392 -3.927 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.659 -3.907 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.744 -2.879 0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.127 -2.204 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.879 -1.134 -0.268 1.00 0.00 H new ATOM 1370 N MET A 92 -7.954 -1.750 -4.360 1.00 0.00 N ATOM 1371 CA MET A 92 -9.209 -1.900 -5.076 1.00 0.00 C ATOM 1372 C MET A 92 -9.375 -3.329 -5.599 1.00 0.00 C ATOM 1373 O MET A 92 -8.390 -4.001 -5.901 1.00 0.00 O ATOM 1374 CB MET A 92 -9.248 -0.920 -6.250 1.00 0.00 C ATOM 1375 CG MET A 92 -9.467 0.513 -5.760 1.00 0.00 C ATOM 1376 SD MET A 92 -8.144 1.564 -6.337 1.00 0.00 S ATOM 1377 CE MET A 92 -6.795 0.935 -5.352 1.00 0.00 C ATOM 0 H MET A 92 -7.120 -1.908 -4.925 1.00 0.00 H new ATOM 0 HA MET A 92 -10.026 -1.688 -4.386 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.314 -0.979 -6.809 1.00 0.00 H new ATOM 0 HB3 MET A 92 -10.048 -1.200 -6.936 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.424 0.888 -6.122 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.509 0.531 -4.671 1.00 0.00 H new ATOM 0 HE1 MET A 92 -6.005 1.684 -5.296 1.00 0.00 H new ATOM 0 HE2 MET A 92 -7.153 0.708 -4.348 1.00 0.00 H new ATOM 0 HE3 MET A 92 -6.402 0.028 -5.810 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.628 -3.750 -5.689 1.00 0.00 N ATOM 1388 CA ALA A 93 -10.935 -5.086 -6.169 1.00 0.00 C ATOM 1389 C ALA A 93 -11.812 -4.985 -7.419 1.00 0.00 C ATOM 1390 O ALA A 93 -12.730 -4.169 -7.473 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.604 -5.890 -5.052 1.00 0.00 C ATOM 0 H ALA A 93 -11.442 -3.189 -5.438 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.022 -5.612 -6.447 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -11.834 -6.892 -5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.930 -5.958 -4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.525 -5.393 -4.748 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.498 -5.826 -8.393 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.245 -5.842 -9.639 1.00 0.00 C ATOM 1399 C VAL A 94 -12.652 -7.280 -9.967 1.00 0.00 C ATOM 1400 O VAL A 94 -11.821 -8.186 -9.937 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.424 -5.185 -10.750 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -12.332 -4.649 -11.859 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.530 -4.077 -10.190 1.00 0.00 C ATOM 0 H VAL A 94 -10.736 -6.502 -8.344 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.161 -5.259 -9.542 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.778 -5.948 -11.185 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.723 -4.187 -12.636 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.906 -5.470 -12.288 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.014 -3.907 -11.444 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.957 -3.627 -11.001 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.149 -3.315 -9.716 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.846 -4.499 -9.453 1.00 0.00 H new ATOM 1413 N ASN A 95 -13.931 -7.444 -10.272 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.458 -8.756 -10.605 1.00 0.00 C ATOM 1415 C ASN A 95 -15.262 -8.664 -11.904 1.00 0.00 C ATOM 1416 O ASN A 95 -15.296 -7.614 -12.543 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.392 -9.270 -9.507 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.613 -8.360 -9.356 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -16.910 -7.531 -10.201 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.303 -8.561 -8.237 1.00 0.00 N ATOM 0 H ASN A 95 -14.617 -6.690 -10.295 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.616 -9.440 -10.712 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.716 -10.283 -9.745 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.853 -9.322 -8.561 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -18.136 -8.004 -8.044 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -16.999 -9.272 -7.571 1.00 0.00 H new ATOM 1427 N SER A 96 -15.889 -9.777 -12.255 1.00 0.00 N ATOM 1428 CA SER A 96 -16.689 -9.835 -13.466 1.00 0.00 C ATOM 1429 C SER A 96 -17.478 -8.535 -13.634 1.00 0.00 C ATOM 1430 O SER A 96 -17.499 -7.954 -14.718 1.00 0.00 O ATOM 1431 CB SER A 96 -17.641 -11.033 -13.440 1.00 0.00 C ATOM 1432 OG SER A 96 -17.004 -12.230 -13.880 1.00 0.00 O ATOM 0 H SER A 96 -15.859 -10.646 -11.722 1.00 0.00 H new ATOM 0 HA SER A 96 -16.016 -9.957 -14.315 1.00 0.00 H new ATOM 0 HB2 SER A 96 -18.019 -11.174 -12.427 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.502 -10.826 -14.075 1.00 0.00 H new ATOM 0 HG SER A 96 -17.643 -12.972 -13.847 1.00 0.00 H new ATOM 1438 N ILE A 97 -18.107 -8.116 -12.546 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.894 -6.895 -12.560 1.00 0.00 C ATOM 1440 C ILE A 97 -17.998 -5.720 -12.954 1.00 0.00 C ATOM 1441 O ILE A 97 -17.945 -5.340 -14.123 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.607 -6.702 -11.220 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.467 -7.920 -10.876 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.420 -5.406 -11.213 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.771 -7.914 -11.675 1.00 0.00 C ATOM 0 H ILE A 97 -18.088 -8.601 -11.649 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.683 -6.959 -13.309 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.850 -6.612 -10.441 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.911 -8.833 -11.087 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.690 -7.922 -9.809 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.917 -5.293 -10.249 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.755 -4.559 -11.380 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -21.168 -5.442 -12.005 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.363 -8.790 -11.411 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.336 -7.011 -11.443 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.545 -7.936 -12.741 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.315 -5.176 -11.957 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.424 -4.052 -12.185 1.00 0.00 C ATOM 1459 C GLY A 98 -15.484 -3.847 -10.996 1.00 0.00 C ATOM 1460 O GLY A 98 -15.249 -4.771 -10.219 1.00 0.00 O ATOM 0 H GLY A 98 -17.361 -5.494 -10.989 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.840 -4.224 -13.089 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.009 -3.147 -12.351 1.00 0.00 H new ATOM 1464 N LYS A 99 -14.972 -2.629 -10.890 1.00 0.00 N ATOM 1465 CA LYS A 99 -14.063 -2.291 -9.808 1.00 0.00 C ATOM 1466 C LYS A 99 -14.856 -1.667 -8.658 1.00 0.00 C ATOM 1467 O LYS A 99 -15.678 -0.779 -8.877 1.00 0.00 O ATOM 1468 CB LYS A 99 -12.925 -1.407 -10.321 1.00 0.00 C ATOM 1469 CG LYS A 99 -11.919 -1.107 -9.208 1.00 0.00 C ATOM 1470 CD LYS A 99 -10.531 -0.822 -9.785 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.368 0.664 -10.113 1.00 0.00 C ATOM 1472 NZ LYS A 99 -10.502 1.483 -8.888 1.00 0.00 N ATOM 0 H LYS A 99 -15.170 -1.864 -11.536 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.586 -3.189 -9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.419 -1.903 -11.149 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.332 -0.473 -10.710 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.259 -0.249 -8.628 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.865 -1.954 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.767 -1.126 -9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.379 -1.416 -10.686 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.393 0.837 -10.568 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.119 0.966 -10.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.308 2.132 -8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.661 0.861 -8.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.631 2.032 -8.741 1.00 0.00 H new ATOM 1486 N SER A 100 -14.581 -2.156 -7.458 1.00 0.00 N ATOM 1487 CA SER A 100 -15.258 -1.658 -6.273 1.00 0.00 C ATOM 1488 C SER A 100 -14.558 -0.397 -5.761 1.00 0.00 C ATOM 1489 O SER A 100 -13.546 0.025 -6.319 1.00 0.00 O ATOM 1490 CB SER A 100 -15.303 -2.723 -5.175 1.00 0.00 C ATOM 1491 OG SER A 100 -14.040 -2.885 -4.537 1.00 0.00 O ATOM 0 H SER A 100 -13.898 -2.893 -7.281 1.00 0.00 H new ATOM 0 HA SER A 100 -16.284 -1.411 -6.544 1.00 0.00 H new ATOM 0 HB2 SER A 100 -16.052 -2.447 -4.432 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.617 -3.674 -5.605 1.00 0.00 H new ATOM 0 HG SER A 100 -13.970 -3.793 -4.176 1.00 0.00 H new ATOM 1497 N LEU A 101 -15.124 0.169 -4.706 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.567 1.372 -4.113 1.00 0.00 C ATOM 1499 C LEU A 101 -13.190 1.056 -3.526 1.00 0.00 C ATOM 1500 O LEU A 101 -12.871 -0.104 -3.272 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.545 1.973 -3.100 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.815 2.596 -3.682 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -16.549 4.016 -4.185 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -17.413 1.704 -4.773 1.00 0.00 C ATOM 0 H LEU A 101 -15.963 -0.184 -4.246 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.421 2.139 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.836 1.191 -2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -15.019 2.737 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 101 -17.555 2.670 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -17.468 4.435 -4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -16.203 4.636 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -15.785 3.990 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -18.315 2.170 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -16.687 1.575 -5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -17.663 0.731 -4.351 1.00 0.00 H new ATOM 1516 N PRO A 102 -12.390 2.137 -3.322 1.00 0.00 N ATOM 1517 CA PRO A 102 -11.055 1.986 -2.769 1.00 0.00 C ATOM 1518 C PRO A 102 -11.112 1.701 -1.267 1.00 0.00 C ATOM 1519 O PRO A 102 -11.950 2.256 -0.558 1.00 0.00 O ATOM 1520 CB PRO A 102 -10.343 3.287 -3.100 1.00 0.00 C ATOM 1521 CG PRO A 102 -11.438 4.294 -3.413 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.735 3.526 -3.611 1.00 0.00 C ATOM 0 HA PRO A 102 -10.519 1.135 -3.190 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.732 3.622 -2.262 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.674 3.160 -3.951 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.540 5.012 -2.599 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.190 4.862 -4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -13.516 3.888 -2.942 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -13.110 3.638 -4.628 1.00 0.00 H new ATOM 1530 N SER A 103 -10.210 0.837 -0.826 1.00 0.00 N ATOM 1531 CA SER A 103 -10.147 0.472 0.579 1.00 0.00 C ATOM 1532 C SER A 103 -10.062 1.731 1.443 1.00 0.00 C ATOM 1533 O SER A 103 -9.598 2.773 0.984 1.00 0.00 O ATOM 1534 CB SER A 103 -8.954 -0.444 0.857 1.00 0.00 C ATOM 1535 OG SER A 103 -7.747 0.291 1.037 1.00 0.00 O ATOM 0 H SER A 103 -9.516 0.379 -1.417 1.00 0.00 H new ATOM 0 HA SER A 103 -11.056 -0.074 0.832 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.153 -1.038 1.749 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.833 -1.143 0.029 1.00 0.00 H new ATOM 0 HG SER A 103 -7.008 -0.181 0.600 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.519 1.594 2.680 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.500 2.707 3.612 1.00 0.00 C ATOM 1543 C GLU A 104 -9.246 3.558 3.399 1.00 0.00 C ATOM 1544 O GLU A 104 -9.304 4.604 2.755 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.589 2.214 5.058 1.00 0.00 C ATOM 1546 CG GLU A 104 -11.864 1.399 5.282 1.00 0.00 C ATOM 1547 CD GLU A 104 -12.284 1.431 6.753 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -11.649 0.697 7.541 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -13.231 2.189 7.056 1.00 0.00 O ATOM 0 H GLU A 104 -10.905 0.728 3.057 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.374 3.329 3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.717 1.603 5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.573 3.066 5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.668 1.796 4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.700 0.368 4.969 1.00 0.00 H new ATOM 1556 N ALA A 105 -8.143 3.076 3.952 1.00 0.00 N ATOM 1557 CA ALA A 105 -6.877 3.779 3.831 1.00 0.00 C ATOM 1558 C ALA A 105 -5.937 3.325 4.949 1.00 0.00 C ATOM 1559 O ALA A 105 -6.200 3.571 6.125 1.00 0.00 O ATOM 1560 CB ALA A 105 -7.126 5.288 3.856 1.00 0.00 C ATOM 0 H ALA A 105 -8.100 2.207 4.485 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.397 3.543 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.176 5.815 3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.775 5.564 3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.605 5.562 4.796 1.00 0.00 H new ATOM 1566 N SER A 106 -4.859 2.669 4.543 1.00 0.00 N ATOM 1567 CA SER A 106 -3.879 2.178 5.497 1.00 0.00 C ATOM 1568 C SER A 106 -3.059 3.344 6.051 1.00 0.00 C ATOM 1569 O SER A 106 -3.115 4.454 5.524 1.00 0.00 O ATOM 1570 CB SER A 106 -2.958 1.139 4.853 1.00 0.00 C ATOM 1571 OG SER A 106 -2.768 0.002 5.691 1.00 0.00 O ATOM 0 H SER A 106 -4.643 2.466 3.567 1.00 0.00 H new ATOM 0 HA SER A 106 -4.410 1.695 6.317 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.381 0.821 3.900 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.992 1.595 4.636 1.00 0.00 H new ATOM 0 HG SER A 106 -2.176 -0.638 5.244 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.315 3.053 7.109 1.00 0.00 N ATOM 1578 CA GLU A 107 -1.485 4.064 7.740 1.00 0.00 C ATOM 1579 C GLU A 107 -0.594 4.746 6.700 1.00 0.00 C ATOM 1580 O GLU A 107 -0.259 4.149 5.678 1.00 0.00 O ATOM 1581 CB GLU A 107 -0.646 3.458 8.867 1.00 0.00 C ATOM 1582 CG GLU A 107 -0.163 2.054 8.498 1.00 0.00 C ATOM 1583 CD GLU A 107 1.293 1.845 8.922 1.00 0.00 C ATOM 1584 OE1 GLU A 107 1.507 1.648 10.137 1.00 0.00 O ATOM 1585 OE2 GLU A 107 2.158 1.888 8.021 1.00 0.00 O ATOM 0 H GLU A 107 -2.270 2.132 7.544 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.137 4.818 8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.211 4.099 9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.237 3.414 9.782 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.796 1.309 8.980 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.257 1.904 7.422 1.00 0.00 H new ATOM 1592 N GLN A 108 -0.236 5.987 6.995 1.00 0.00 N ATOM 1593 CA GLN A 108 0.609 6.756 6.098 1.00 0.00 C ATOM 1594 C GLN A 108 2.073 6.345 6.266 1.00 0.00 C ATOM 1595 O GLN A 108 2.742 6.787 7.198 1.00 0.00 O ATOM 1596 CB GLN A 108 0.430 8.258 6.330 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.513 8.865 5.289 1.00 0.00 C ATOM 1598 CD GLN A 108 -0.363 10.387 5.235 1.00 0.00 C ATOM 1599 OE1 GLN A 108 0.727 10.926 5.140 1.00 0.00 O ATOM 1600 NE2 GLN A 108 -1.516 11.046 5.301 1.00 0.00 N ATOM 0 H GLN A 108 -0.516 6.479 7.843 1.00 0.00 H new ATOM 0 HA GLN A 108 0.308 6.542 5.073 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.033 8.430 7.330 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.399 8.755 6.282 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.300 8.440 4.308 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.544 8.606 5.532 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -2.393 10.532 5.380 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -1.523 12.066 5.273 1.00 0.00 H new ATOM 1609 N TYR A 109 2.527 5.505 5.348 1.00 0.00 N ATOM 1610 CA TYR A 109 3.900 5.030 5.382 1.00 0.00 C ATOM 1611 C TYR A 109 4.863 6.096 4.855 1.00 0.00 C ATOM 1612 O TYR A 109 4.897 6.368 3.656 1.00 0.00 O ATOM 1613 CB TYR A 109 3.949 3.813 4.456 1.00 0.00 C ATOM 1614 CG TYR A 109 5.145 2.891 4.702 1.00 0.00 C ATOM 1615 CD1 TYR A 109 6.423 3.411 4.724 1.00 0.00 C ATOM 1616 CD2 TYR A 109 4.945 1.540 4.901 1.00 0.00 C ATOM 1617 CE1 TYR A 109 7.549 2.543 4.956 1.00 0.00 C ATOM 1618 CE2 TYR A 109 6.071 0.672 5.132 1.00 0.00 C ATOM 1619 CZ TYR A 109 7.317 1.217 5.148 1.00 0.00 C ATOM 1620 OH TYR A 109 8.380 0.397 5.367 1.00 0.00 O ATOM 0 H TYR A 109 1.969 5.141 4.576 1.00 0.00 H new ATOM 0 HA TYR A 109 4.197 4.791 6.403 1.00 0.00 H new ATOM 0 HB2 TYR A 109 3.030 3.239 4.578 1.00 0.00 H new ATOM 0 HB3 TYR A 109 3.975 4.157 3.422 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.579 4.468 4.567 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.944 1.134 4.884 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.555 2.936 4.977 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.929 -0.387 5.289 1.00 0.00 H new ATOM 0 HH TYR A 109 8.064 -0.523 5.489 1.00 0.00 H new ATOM 1630 N LEU A 110 5.621 6.671 5.777 1.00 0.00 N ATOM 1631 CA LEU A 110 6.581 7.702 5.420 1.00 0.00 C ATOM 1632 C LEU A 110 7.998 7.178 5.662 1.00 0.00 C ATOM 1633 O LEU A 110 8.360 6.856 6.792 1.00 0.00 O ATOM 1634 CB LEU A 110 6.271 9.003 6.162 1.00 0.00 C ATOM 1635 CG LEU A 110 7.234 10.165 5.909 1.00 0.00 C ATOM 1636 CD1 LEU A 110 8.412 10.123 6.885 1.00 0.00 C ATOM 1637 CD2 LEU A 110 7.697 10.186 4.451 1.00 0.00 C ATOM 0 H LEU A 110 5.590 6.443 6.771 1.00 0.00 H new ATOM 0 HA LEU A 110 6.506 7.942 4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.266 9.324 5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.258 8.794 7.232 1.00 0.00 H new ATOM 0 HG LEU A 110 6.700 11.098 6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.081 10.959 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.040 10.194 7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.955 9.186 6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.380 11.021 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.208 9.252 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.833 10.300 3.796 1.00 0.00 H new