USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 858 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 24 SER OG : rot 87:sc= -0.327 USER MOD Set 1.2: A 26 LYS NZ :NH3+ -176:sc= 1.1 (180deg=-0.102) USER MOD Set 2.1: A 11 GLN : amide:sc= 0 X(o=-0.41,f=-0.058) USER MOD Set 2.2: A 20 TYR OH : rot -165:sc= -0.41 USER MOD Single : A 7 LYS NZ :NH3+ 165:sc= -0.0234 (180deg=-0.244) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.341 F(o=-6.1!,f=-0.34) USER MOD Single : A 15 ASN : amide:sc= -0.606 X(o=-0.61,f=-0.18) USER MOD Single : A 21 MET CE :methyl 156:sc= -0.57 (180deg=-3.29!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -120:sc=-0.00542 USER MOD Single : A 30 CYS SG : rot -71:sc= -7.33! USER MOD Single : A 33 SER OG : rot -84:sc= -3.49! USER MOD Single : A 35 GLN :FLIP amide:sc= -1.46! C(o=-6.3!,f=-1.5!) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.927 F(o=-3.9!,f=-0.93) USER MOD Single : A 43 CYS SG : rot -21:sc= -3.12 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN :FLIP amide:sc= -0.744 F(o=-3.6!,f=-0.74) USER MOD Single : A 55 ASN : amide:sc= -13.8! C(o=-14!,f=-17!) USER MOD Single : A 64 LYS NZ :NH3+ -140:sc= -2 (180deg=-4.33!) USER MOD Single : A 65 TYR OH : rot -69:sc= -1.44! USER MOD Single : A 67 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.6) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0307 USER MOD Single : A 73 GLN : amide:sc= -7.12! C(o=-7.1!,f=-8!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0.0788! USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -2.84! C(o=-2.8!,f=-13!) USER MOD Single : A 98 GLN : amide:sc= -1.53! C(o=-1.5!,f=-5.8!) USER MOD Single : A 101 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00274) USER MOD Single : A 103 THR OG1 : rot -1:sc= 0.771 USER MOD Single : A 106 LYS NZ :NH3+ 166:sc= 1.08 (180deg=0.872) USER MOD Single : A 107 TYR OH : rot 30:sc= -0.0595 USER MOD Single : A 108 LYS NZ :NH3+ 169:sc= 0.702 (180deg=0.701) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 13.653 8.460 2.246 1.00 0.00 N ATOM 60 CA ILE A 5 12.315 8.635 2.804 1.00 0.00 C ATOM 61 C ILE A 5 11.710 9.989 2.442 1.00 0.00 C ATOM 62 O ILE A 5 10.503 10.084 2.216 1.00 0.00 O ATOM 63 CB ILE A 5 12.315 8.443 4.336 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.487 6.973 4.687 1.00 0.00 C ATOM 65 CG2 ILE A 5 11.021 8.948 4.937 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.818 6.731 6.144 1.00 0.00 C ATOM 0 HA ILE A 5 11.690 7.863 2.356 1.00 0.00 H new ATOM 0 HB ILE A 5 13.148 9.014 4.745 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.570 6.439 4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.279 6.551 4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.041 8.804 6.017 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.906 10.009 4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.183 8.396 4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.926 5.661 6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.751 7.236 6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.015 7.122 6.769 1.00 0.00 H new ATOM 78 N GLU A 6 12.532 11.033 2.414 1.00 0.00 N ATOM 79 CA GLU A 6 12.046 12.380 2.112 1.00 0.00 C ATOM 80 C GLU A 6 11.282 12.387 0.792 1.00 0.00 C ATOM 81 O GLU A 6 10.134 12.829 0.730 1.00 0.00 O ATOM 82 CB GLU A 6 13.207 13.375 2.047 1.00 0.00 C ATOM 83 CG GLU A 6 14.057 13.405 3.308 1.00 0.00 C ATOM 84 CD GLU A 6 13.245 13.697 4.550 1.00 0.00 C ATOM 85 OE1 GLU A 6 12.623 14.779 4.619 1.00 0.00 O ATOM 86 OE2 GLU A 6 13.225 12.845 5.465 1.00 0.00 O ATOM 0 H GLU A 6 13.534 10.976 2.596 1.00 0.00 H new ATOM 0 HA GLU A 6 11.372 12.683 2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.842 13.124 1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.809 14.373 1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.561 12.445 3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.834 14.162 3.200 1.00 0.00 H new ATOM 93 N LYS A 7 11.874 11.774 -0.226 1.00 0.00 N ATOM 94 CA LYS A 7 11.197 11.589 -1.503 1.00 0.00 C ATOM 95 C LYS A 7 10.023 10.629 -1.372 1.00 0.00 C ATOM 96 O LYS A 7 8.961 10.852 -1.951 1.00 0.00 O ATOM 97 CB LYS A 7 12.167 11.078 -2.571 1.00 0.00 C ATOM 98 CG LYS A 7 13.205 12.099 -2.992 1.00 0.00 C ATOM 99 CD LYS A 7 12.545 13.322 -3.609 1.00 0.00 C ATOM 100 CE LYS A 7 13.572 14.326 -4.094 1.00 0.00 C ATOM 101 NZ LYS A 7 14.439 13.764 -5.163 1.00 0.00 N ATOM 0 H LYS A 7 12.821 11.397 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 7 10.817 12.563 -1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.676 10.191 -2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.598 10.769 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.798 12.398 -2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.892 11.650 -3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.915 13.014 -4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.893 13.794 -2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.062 15.213 -4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.191 14.645 -3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.947 14.536 -5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.126 13.106 -4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.852 13.256 -5.855 1.00 0.00 H new ATOM 115 N ILE A 8 10.240 9.530 -0.659 1.00 0.00 N ATOM 116 CA ILE A 8 9.223 8.504 -0.513 1.00 0.00 C ATOM 117 C ILE A 8 7.943 9.035 0.124 1.00 0.00 C ATOM 118 O ILE A 8 6.850 8.736 -0.347 1.00 0.00 O ATOM 119 CB ILE A 8 9.755 7.311 0.298 1.00 0.00 C ATOM 120 CG1 ILE A 8 10.870 6.620 -0.484 1.00 0.00 C ATOM 121 CG2 ILE A 8 8.632 6.347 0.624 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.528 5.494 0.269 1.00 0.00 C ATOM 0 H ILE A 8 11.114 9.329 -0.173 1.00 0.00 H new ATOM 0 HA ILE A 8 8.976 8.171 -1.521 1.00 0.00 H new ATOM 0 HB ILE A 8 10.164 7.669 1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.461 6.232 -1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.626 7.358 -0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.027 5.509 1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.870 6.861 1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.190 5.977 -0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.309 5.051 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.968 5.879 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.784 4.735 0.512 1.00 0.00 H new ATOM 134 N GLN A 9 8.065 9.827 1.182 1.00 0.00 N ATOM 135 CA GLN A 9 6.887 10.376 1.839 1.00 0.00 C ATOM 136 C GLN A 9 6.086 11.255 0.899 1.00 0.00 C ATOM 137 O GLN A 9 4.863 11.133 0.819 1.00 0.00 O ATOM 138 CB GLN A 9 7.244 11.159 3.106 1.00 0.00 C ATOM 139 CG GLN A 9 7.679 10.291 4.270 1.00 0.00 C ATOM 140 CD GLN A 9 7.951 11.103 5.520 1.00 0.00 C ATOM 141 OE1 GLN A 9 9.125 10.930 6.098 1.00 0.00 O flip ATOM 142 NE2 GLN A 9 7.098 11.864 5.978 1.00 0.00 N flip ATOM 0 H GLN A 9 8.955 10.100 1.599 1.00 0.00 H new ATOM 0 HA GLN A 9 6.274 9.523 2.130 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.044 11.862 2.872 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.380 11.749 3.410 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.905 9.553 4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.578 9.740 3.994 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.202 11.971 5.502 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.287 12.387 6.833 1.00 0.00 H new ATOM 151 N ARG A 10 6.779 12.090 0.146 1.00 0.00 N ATOM 152 CA ARG A 10 6.130 12.931 -0.844 1.00 0.00 C ATOM 153 C ARG A 10 5.434 12.062 -1.884 1.00 0.00 C ATOM 154 O ARG A 10 4.363 12.404 -2.373 1.00 0.00 O ATOM 155 CB ARG A 10 7.148 13.852 -1.526 1.00 0.00 C ATOM 156 CG ARG A 10 7.968 14.720 -0.572 1.00 0.00 C ATOM 157 CD ARG A 10 7.122 15.692 0.252 1.00 0.00 C ATOM 158 NE ARG A 10 6.230 15.017 1.199 1.00 0.00 N ATOM 159 CZ ARG A 10 5.459 15.657 2.079 1.00 0.00 C ATOM 160 NH1 ARG A 10 5.512 16.980 2.173 1.00 0.00 N ATOM 161 NH2 ARG A 10 4.644 14.973 2.872 1.00 0.00 N ATOM 0 H ARG A 10 7.791 12.204 0.201 1.00 0.00 H new ATOM 0 HA ARG A 10 5.390 13.552 -0.340 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.831 13.241 -2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.619 14.502 -2.222 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.526 14.073 0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.700 15.287 -1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.782 16.365 0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.527 16.308 -0.422 1.00 0.00 H new ATOM 0 HE ARG A 10 6.197 13.998 1.184 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.143 17.509 1.571 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.921 17.467 2.847 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.606 13.956 2.809 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.055 15.465 3.544 1.00 0.00 H new ATOM 175 N GLN A 11 6.062 10.930 -2.197 1.00 0.00 N ATOM 176 CA GLN A 11 5.538 9.977 -3.180 1.00 0.00 C ATOM 177 C GLN A 11 4.266 9.299 -2.683 1.00 0.00 C ATOM 178 O GLN A 11 3.293 9.153 -3.422 1.00 0.00 O ATOM 179 CB GLN A 11 6.600 8.919 -3.494 1.00 0.00 C ATOM 180 CG GLN A 11 6.128 7.831 -4.444 1.00 0.00 C ATOM 181 CD GLN A 11 7.196 6.787 -4.698 1.00 0.00 C ATOM 182 OE1 GLN A 11 8.264 7.092 -5.223 1.00 0.00 O ATOM 183 NE2 GLN A 11 6.924 5.553 -4.306 1.00 0.00 N ATOM 0 H GLN A 11 6.948 10.646 -1.778 1.00 0.00 H new ATOM 0 HA GLN A 11 5.290 10.532 -4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.471 9.411 -3.926 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.924 8.457 -2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.243 7.349 -4.029 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.831 8.282 -5.391 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.024 5.342 -3.874 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.614 4.813 -4.436 1.00 0.00 H new ATOM 192 N ILE A 12 4.298 8.858 -1.439 1.00 0.00 N ATOM 193 CA ILE A 12 3.167 8.160 -0.840 1.00 0.00 C ATOM 194 C ILE A 12 1.970 9.087 -0.763 1.00 0.00 C ATOM 195 O ILE A 12 0.842 8.699 -1.058 1.00 0.00 O ATOM 196 CB ILE A 12 3.495 7.634 0.577 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.706 6.699 0.544 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.293 6.914 1.171 1.00 0.00 C ATOM 199 CD1 ILE A 12 5.017 6.068 1.880 1.00 0.00 C ATOM 0 H ILE A 12 5.099 8.970 -0.817 1.00 0.00 H new ATOM 0 HA ILE A 12 2.941 7.303 -1.475 1.00 0.00 H new ATOM 0 HB ILE A 12 3.737 8.490 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.527 5.911 -0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.578 7.258 0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.543 6.551 2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.451 7.604 1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.023 6.071 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.887 5.418 1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.228 6.849 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.161 5.481 2.213 1.00 0.00 H new ATOM 211 N ALA A 13 2.250 10.324 -0.398 1.00 0.00 N ATOM 212 CA ALA A 13 1.231 11.359 -0.307 1.00 0.00 C ATOM 213 C ALA A 13 0.534 11.573 -1.650 1.00 0.00 C ATOM 214 O ALA A 13 -0.646 11.923 -1.691 1.00 0.00 O ATOM 215 CB ALA A 13 1.839 12.662 0.192 1.00 0.00 C ATOM 0 H ALA A 13 3.188 10.642 -0.156 1.00 0.00 H new ATOM 0 HA ALA A 13 0.480 11.026 0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.063 13.425 0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.274 12.506 1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.616 12.989 -0.499 1.00 0.00 H new ATOM 221 N GLU A 14 1.285 11.422 -2.743 1.00 0.00 N ATOM 222 CA GLU A 14 0.745 11.658 -4.081 1.00 0.00 C ATOM 223 C GLU A 14 -0.431 10.733 -4.368 1.00 0.00 C ATOM 224 O GLU A 14 -1.442 11.152 -4.933 1.00 0.00 O ATOM 225 CB GLU A 14 1.794 11.399 -5.166 1.00 0.00 C ATOM 226 CG GLU A 14 3.105 12.136 -4.984 1.00 0.00 C ATOM 227 CD GLU A 14 4.032 11.953 -6.171 1.00 0.00 C ATOM 228 OE1 GLU A 14 3.637 11.266 -7.142 1.00 0.00 O ATOM 229 OE2 GLU A 14 5.154 12.500 -6.147 1.00 0.00 O ATOM 0 H GLU A 14 2.265 11.139 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 14 0.431 12.701 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.999 10.329 -5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.371 11.676 -6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.906 13.198 -4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.599 11.779 -4.080 1.00 0.00 H new ATOM 236 N ASN A 15 -0.215 9.446 -4.127 1.00 0.00 N ATOM 237 CA ASN A 15 -1.179 8.431 -4.524 1.00 0.00 C ATOM 238 C ASN A 15 -2.348 8.340 -3.553 1.00 0.00 C ATOM 239 O ASN A 15 -2.157 8.207 -2.344 1.00 0.00 O ATOM 240 CB ASN A 15 -0.490 7.071 -4.654 1.00 0.00 C ATOM 241 CG ASN A 15 0.573 7.067 -5.737 1.00 0.00 C ATOM 242 OD1 ASN A 15 0.280 7.289 -6.912 1.00 0.00 O ATOM 243 ND2 ASN A 15 1.817 6.828 -5.351 1.00 0.00 N ATOM 0 H ASN A 15 0.616 9.083 -3.660 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.584 8.725 -5.492 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.035 6.804 -3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.236 6.308 -4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.572 6.824 -6.037 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.020 6.648 -4.368 1.00 0.00 H new ATOM 250 N PRO A 16 -3.580 8.394 -4.086 1.00 0.00 N ATOM 251 CA PRO A 16 -4.808 8.301 -3.283 1.00 0.00 C ATOM 252 C PRO A 16 -4.881 7.004 -2.505 1.00 0.00 C ATOM 253 O PRO A 16 -5.239 6.979 -1.328 1.00 0.00 O ATOM 254 CB PRO A 16 -5.918 8.305 -4.343 1.00 0.00 C ATOM 255 CG PRO A 16 -5.311 8.981 -5.519 1.00 0.00 C ATOM 256 CD PRO A 16 -3.874 8.553 -5.521 1.00 0.00 C ATOM 0 HA PRO A 16 -4.873 9.104 -2.549 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.235 7.292 -4.588 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.801 8.839 -3.991 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.810 8.688 -6.443 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.399 10.064 -5.439 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.730 7.622 -6.069 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.230 9.300 -5.986 1.00 0.00 H new ATOM 264 N ILE A 17 -4.513 5.932 -3.174 1.00 0.00 N ATOM 265 CA ILE A 17 -4.509 4.615 -2.579 1.00 0.00 C ATOM 266 C ILE A 17 -3.193 3.962 -2.947 1.00 0.00 C ATOM 267 O ILE A 17 -2.815 3.969 -4.121 1.00 0.00 O ATOM 268 CB ILE A 17 -5.667 3.755 -3.136 1.00 0.00 C ATOM 269 CG1 ILE A 17 -7.006 4.508 -3.087 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.775 2.448 -2.365 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.484 4.877 -1.693 1.00 0.00 C ATOM 0 H ILE A 17 -4.208 5.951 -4.147 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.634 4.696 -1.499 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.442 3.538 -4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.915 5.420 -3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.769 3.894 -3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.595 1.854 -2.769 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.842 1.892 -2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.965 2.661 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.435 5.404 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.614 3.971 -1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.746 5.521 -1.214 1.00 0.00 H new ATOM 283 N LEU A 18 -2.422 3.552 -1.957 1.00 0.00 N ATOM 284 CA LEU A 18 -1.082 3.087 -2.236 1.00 0.00 C ATOM 285 C LEU A 18 -0.787 1.789 -1.503 1.00 0.00 C ATOM 286 O LEU A 18 -1.246 1.569 -0.391 1.00 0.00 O ATOM 287 CB LEU A 18 -0.070 4.166 -1.861 1.00 0.00 C ATOM 288 CG LEU A 18 1.347 3.941 -2.379 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.343 3.809 -3.897 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.232 5.099 -1.946 1.00 0.00 C ATOM 0 H LEU A 18 -2.695 3.532 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.001 2.885 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.429 5.124 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.034 4.244 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 18 1.741 3.015 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.361 3.649 -4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.721 2.962 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.944 4.721 -4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.245 4.940 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.839 6.030 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.247 5.158 -0.858 1.00 0.00 H new ATOM 302 N LEU A 19 -0.076 0.914 -2.171 1.00 0.00 N ATOM 303 CA LEU A 19 0.238 -0.401 -1.649 1.00 0.00 C ATOM 304 C LEU A 19 1.691 -0.737 -1.923 1.00 0.00 C ATOM 305 O LEU A 19 2.096 -0.862 -3.064 1.00 0.00 O ATOM 306 CB LEU A 19 -0.679 -1.426 -2.324 1.00 0.00 C ATOM 307 CG LEU A 19 -0.208 -2.880 -2.287 1.00 0.00 C ATOM 308 CD1 LEU A 19 -0.091 -3.399 -0.858 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.150 -3.747 -3.097 1.00 0.00 C ATOM 0 H LEU A 19 0.306 1.092 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 19 0.081 -0.419 -0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.660 -1.371 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.810 -1.135 -3.366 1.00 0.00 H new ATOM 0 HG LEU A 19 0.788 -2.925 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.246 -4.435 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.628 -2.792 -0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.064 -3.341 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.809 -4.782 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.154 -3.684 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.166 -3.400 -4.130 1.00 0.00 H new ATOM 321 N TYR A 20 2.458 -0.970 -0.885 1.00 0.00 N ATOM 322 CA TYR A 20 3.831 -1.387 -1.072 1.00 0.00 C ATOM 323 C TYR A 20 3.959 -2.889 -0.940 1.00 0.00 C ATOM 324 O TYR A 20 3.679 -3.456 0.116 1.00 0.00 O ATOM 325 CB TYR A 20 4.749 -0.689 -0.081 1.00 0.00 C ATOM 326 CG TYR A 20 5.068 0.741 -0.446 1.00 0.00 C ATOM 327 CD1 TYR A 20 4.072 1.679 -0.675 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.387 1.145 -0.564 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.393 2.977 -1.017 1.00 0.00 C ATOM 330 CE2 TYR A 20 6.711 2.438 -0.910 1.00 0.00 C ATOM 331 CZ TYR A 20 5.712 3.350 -1.134 1.00 0.00 C ATOM 332 OH TYR A 20 6.031 4.641 -1.485 1.00 0.00 O ATOM 0 H TYR A 20 2.162 -0.880 0.087 1.00 0.00 H new ATOM 0 HA TYR A 20 4.133 -1.102 -2.080 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.284 -0.707 0.905 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.680 -1.251 -0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.035 1.391 -0.585 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.177 0.432 -0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.609 3.699 -1.193 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.746 2.732 -1.004 1.00 0.00 H new ATOM 0 HH TYR A 20 6.970 4.682 -1.761 1.00 0.00 H new ATOM 342 N MET A 21 4.411 -3.523 -2.010 1.00 0.00 N ATOM 343 CA MET A 21 4.611 -4.952 -2.021 1.00 0.00 C ATOM 344 C MET A 21 5.802 -5.335 -2.890 1.00 0.00 C ATOM 345 O MET A 21 6.583 -4.483 -3.296 1.00 0.00 O ATOM 346 CB MET A 21 3.343 -5.640 -2.491 1.00 0.00 C ATOM 347 CG MET A 21 2.803 -5.179 -3.834 1.00 0.00 C ATOM 348 SD MET A 21 1.284 -6.056 -4.263 1.00 0.00 S ATOM 349 CE MET A 21 0.850 -5.292 -5.820 1.00 0.00 C ATOM 0 H MET A 21 4.647 -3.059 -2.887 1.00 0.00 H new ATOM 0 HA MET A 21 4.835 -5.284 -1.007 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.532 -6.712 -2.545 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.569 -5.490 -1.738 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.610 -4.107 -3.803 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.553 -5.346 -4.607 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.226 -5.974 -6.398 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.301 -4.369 -5.632 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.757 -5.067 -6.380 1.00 0.00 H new ATOM 359 N LYS A 22 5.939 -6.612 -3.206 1.00 0.00 N ATOM 360 CA LYS A 22 7.037 -7.035 -4.050 1.00 0.00 C ATOM 361 C LYS A 22 6.544 -7.133 -5.472 1.00 0.00 C ATOM 362 O LYS A 22 5.371 -7.379 -5.706 1.00 0.00 O ATOM 363 CB LYS A 22 7.654 -8.361 -3.588 1.00 0.00 C ATOM 364 CG LYS A 22 8.969 -8.670 -4.294 1.00 0.00 C ATOM 365 CD LYS A 22 9.653 -9.911 -3.742 1.00 0.00 C ATOM 366 CE LYS A 22 10.957 -10.186 -4.475 1.00 0.00 C ATOM 367 NZ LYS A 22 11.669 -11.371 -3.935 1.00 0.00 N ATOM 0 H LYS A 22 5.316 -7.358 -2.897 1.00 0.00 H new ATOM 0 HA LYS A 22 7.832 -6.293 -3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.823 -8.324 -2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.948 -9.170 -3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.782 -8.807 -5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.639 -7.816 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.850 -9.779 -2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.989 -10.770 -3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.750 -10.341 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.604 -9.312 -4.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.551 -11.518 -4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.891 -11.215 -2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.064 -12.212 -4.029 1.00 0.00 H new ATOM 381 N GLY A 23 7.403 -6.796 -6.400 1.00 0.00 N ATOM 382 CA GLY A 23 6.979 -6.701 -7.779 1.00 0.00 C ATOM 383 C GLY A 23 7.867 -7.485 -8.711 1.00 0.00 C ATOM 384 O GLY A 23 9.071 -7.241 -8.785 1.00 0.00 O ATOM 0 H GLY A 23 8.387 -6.585 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.955 -7.064 -7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.973 -5.654 -8.083 1.00 0.00 H new ATOM 388 N SER A 24 7.270 -8.424 -9.418 1.00 0.00 N ATOM 389 CA SER A 24 7.995 -9.259 -10.358 1.00 0.00 C ATOM 390 C SER A 24 7.236 -9.331 -11.681 1.00 0.00 C ATOM 391 O SER A 24 6.006 -9.310 -11.692 1.00 0.00 O ATOM 392 CB SER A 24 8.172 -10.661 -9.766 1.00 0.00 C ATOM 393 OG SER A 24 8.900 -11.512 -10.632 1.00 0.00 O ATOM 0 H SER A 24 6.273 -8.630 -9.358 1.00 0.00 H new ATOM 0 HA SER A 24 8.978 -8.827 -10.545 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.689 -10.588 -8.809 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.193 -11.097 -9.567 1.00 0.00 H new ATOM 0 HG SER A 24 9.860 -11.404 -10.466 1.00 0.00 H new ATOM 399 N PRO A 25 7.948 -9.390 -12.819 1.00 0.00 N ATOM 400 CA PRO A 25 7.315 -9.454 -14.143 1.00 0.00 C ATOM 401 C PRO A 25 6.328 -10.617 -14.230 1.00 0.00 C ATOM 402 O PRO A 25 5.230 -10.484 -14.775 1.00 0.00 O ATOM 403 CB PRO A 25 8.491 -9.675 -15.093 1.00 0.00 C ATOM 404 CG PRO A 25 9.670 -9.121 -14.374 1.00 0.00 C ATOM 405 CD PRO A 25 9.420 -9.378 -12.915 1.00 0.00 C ATOM 0 HA PRO A 25 6.739 -8.558 -14.374 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.625 -10.733 -15.316 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.332 -9.166 -16.044 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.590 -9.603 -14.703 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.781 -8.054 -14.569 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.852 -10.326 -12.594 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.857 -8.600 -12.289 1.00 0.00 H new ATOM 413 N LYS A 26 6.718 -11.742 -13.640 1.00 0.00 N ATOM 414 CA LYS A 26 5.869 -12.927 -13.583 1.00 0.00 C ATOM 415 C LYS A 26 4.654 -12.704 -12.677 1.00 0.00 C ATOM 416 O LYS A 26 3.592 -13.284 -12.903 1.00 0.00 O ATOM 417 CB LYS A 26 6.671 -14.147 -13.112 1.00 0.00 C ATOM 418 CG LYS A 26 7.317 -13.984 -11.747 1.00 0.00 C ATOM 419 CD LYS A 26 8.080 -15.235 -11.348 1.00 0.00 C ATOM 420 CE LYS A 26 8.740 -15.093 -9.985 1.00 0.00 C ATOM 421 NZ LYS A 26 9.771 -14.021 -9.969 1.00 0.00 N ATOM 0 H LYS A 26 7.626 -11.858 -13.190 1.00 0.00 H new ATOM 0 HA LYS A 26 5.503 -13.118 -14.592 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.010 -15.013 -13.087 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.449 -14.361 -13.845 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.995 -13.131 -11.762 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.551 -13.769 -11.002 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.398 -16.085 -11.333 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.841 -15.449 -12.098 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.979 -14.874 -9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.200 -16.041 -9.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.241 -14.005 -9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.476 -14.206 -10.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.318 -13.101 -10.143 1.00 0.00 H new ATOM 435 N LEU A 27 4.836 -11.929 -11.609 1.00 0.00 N ATOM 436 CA LEU A 27 3.778 -11.725 -10.625 1.00 0.00 C ATOM 437 C LEU A 27 4.052 -10.427 -9.861 1.00 0.00 C ATOM 438 O LEU A 27 5.097 -10.296 -9.221 1.00 0.00 O ATOM 439 CB LEU A 27 3.806 -12.907 -9.653 1.00 0.00 C ATOM 440 CG LEU A 27 2.506 -13.232 -8.902 1.00 0.00 C ATOM 441 CD1 LEU A 27 2.705 -14.451 -8.020 1.00 0.00 C ATOM 442 CD2 LEU A 27 2.024 -12.064 -8.064 1.00 0.00 C ATOM 0 H LEU A 27 5.704 -11.434 -11.405 1.00 0.00 H new ATOM 0 HA LEU A 27 2.804 -11.657 -11.110 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.105 -13.795 -10.210 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.584 -12.718 -8.914 1.00 0.00 H new ATOM 0 HG LEU A 27 1.741 -13.439 -9.650 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.778 -14.673 -7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.985 -15.305 -8.637 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.496 -14.252 -7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.102 -12.340 -7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.785 -11.806 -7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.837 -11.206 -8.709 1.00 0.00 H new ATOM 454 N PRO A 28 3.157 -9.429 -9.955 1.00 0.00 N ATOM 455 CA PRO A 28 3.364 -8.121 -9.320 1.00 0.00 C ATOM 456 C PRO A 28 3.159 -8.114 -7.805 1.00 0.00 C ATOM 457 O PRO A 28 2.889 -7.067 -7.225 1.00 0.00 O ATOM 458 CB PRO A 28 2.307 -7.243 -9.983 1.00 0.00 C ATOM 459 CG PRO A 28 1.238 -8.172 -10.427 1.00 0.00 C ATOM 460 CD PRO A 28 1.911 -9.471 -10.741 1.00 0.00 C ATOM 0 HA PRO A 28 4.394 -7.790 -9.452 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.918 -6.503 -9.284 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.726 -6.695 -10.827 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.488 -8.302 -9.647 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.722 -7.780 -11.304 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.290 -10.321 -10.458 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.115 -9.567 -11.807 1.00 0.00 H new ATOM 468 N SER A 29 3.355 -9.253 -7.168 1.00 0.00 N ATOM 469 CA SER A 29 3.264 -9.352 -5.725 1.00 0.00 C ATOM 470 C SER A 29 3.894 -10.639 -5.215 1.00 0.00 C ATOM 471 O SER A 29 3.305 -11.374 -4.422 1.00 0.00 O ATOM 472 CB SER A 29 1.822 -9.210 -5.273 1.00 0.00 C ATOM 473 OG SER A 29 0.946 -10.044 -6.008 1.00 0.00 O ATOM 0 H SER A 29 3.581 -10.132 -7.634 1.00 0.00 H new ATOM 0 HA SER A 29 3.832 -8.530 -5.289 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.750 -9.455 -4.213 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.509 -8.172 -5.383 1.00 0.00 H new ATOM 0 HG SER A 29 0.276 -9.493 -6.464 1.00 0.00 H new ATOM 479 N CYS A 30 5.110 -10.876 -5.678 1.00 0.00 N ATOM 480 CA CYS A 30 5.909 -12.038 -5.298 1.00 0.00 C ATOM 481 C CYS A 30 6.344 -12.025 -3.823 1.00 0.00 C ATOM 482 O CYS A 30 7.533 -12.052 -3.513 1.00 0.00 O ATOM 483 CB CYS A 30 7.117 -12.111 -6.218 1.00 0.00 C ATOM 484 SG CYS A 30 7.837 -10.502 -6.593 1.00 0.00 S ATOM 0 H CYS A 30 5.581 -10.259 -6.339 1.00 0.00 H new ATOM 0 HA CYS A 30 5.286 -12.926 -5.408 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.877 -12.741 -5.756 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.825 -12.595 -7.150 1.00 0.00 H new ATOM 0 HG CYS A 30 7.039 -9.842 -7.379 1.00 0.00 H new ATOM 490 N GLY A 31 5.372 -12.030 -2.930 1.00 0.00 N ATOM 491 CA GLY A 31 5.647 -12.070 -1.505 1.00 0.00 C ATOM 492 C GLY A 31 4.384 -12.293 -0.695 1.00 0.00 C ATOM 493 O GLY A 31 3.525 -13.081 -1.090 1.00 0.00 O ATOM 0 H GLY A 31 4.380 -12.007 -3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.360 -12.867 -1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.115 -11.135 -1.199 1.00 0.00 H new ATOM 497 N PHE A 32 4.254 -11.581 0.419 1.00 0.00 N ATOM 498 CA PHE A 32 3.068 -11.692 1.270 1.00 0.00 C ATOM 499 C PHE A 32 1.880 -10.954 0.699 1.00 0.00 C ATOM 500 O PHE A 32 0.767 -11.124 1.158 1.00 0.00 O ATOM 501 CB PHE A 32 3.305 -11.186 2.685 1.00 0.00 C ATOM 502 CG PHE A 32 4.044 -12.135 3.564 1.00 0.00 C ATOM 503 CD1 PHE A 32 5.415 -12.274 3.476 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.343 -12.905 4.474 1.00 0.00 C ATOM 505 CE1 PHE A 32 6.084 -13.166 4.291 1.00 0.00 C ATOM 506 CE2 PHE A 32 4.002 -13.801 5.294 1.00 0.00 C ATOM 507 CZ PHE A 32 5.376 -13.931 5.202 1.00 0.00 C ATOM 0 H PHE A 32 4.954 -10.920 0.756 1.00 0.00 H new ATOM 0 HA PHE A 32 2.854 -12.760 1.305 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.861 -10.250 2.634 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.342 -10.961 3.143 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.969 -11.680 2.764 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.270 -12.805 4.544 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.157 -13.266 4.218 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.447 -14.397 6.003 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.896 -14.629 5.841 1.00 0.00 H new ATOM 517 N SER A 33 2.127 -10.031 -0.186 1.00 0.00 N ATOM 518 CA SER A 33 1.070 -9.181 -0.684 1.00 0.00 C ATOM 519 C SER A 33 0.075 -9.931 -1.567 1.00 0.00 C ATOM 520 O SER A 33 -0.971 -9.385 -1.913 1.00 0.00 O ATOM 521 CB SER A 33 1.667 -8.032 -1.443 1.00 0.00 C ATOM 522 OG SER A 33 2.586 -8.494 -2.416 1.00 0.00 O ATOM 0 H SER A 33 3.049 -9.844 -0.581 1.00 0.00 H new ATOM 0 HA SER A 33 0.513 -8.815 0.178 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.875 -7.460 -1.927 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.171 -7.357 -0.752 1.00 0.00 H new ATOM 0 HG SER A 33 3.461 -8.636 -1.998 1.00 0.00 H new ATOM 528 N ALA A 34 0.458 -11.127 -2.012 1.00 0.00 N ATOM 529 CA ALA A 34 -0.340 -11.906 -2.960 1.00 0.00 C ATOM 530 C ALA A 34 -1.816 -11.965 -2.563 1.00 0.00 C ATOM 531 O ALA A 34 -2.695 -11.823 -3.406 1.00 0.00 O ATOM 532 CB ALA A 34 0.228 -13.311 -3.085 1.00 0.00 C ATOM 0 H ALA A 34 1.325 -11.582 -1.728 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.286 -11.403 -3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.371 -13.884 -3.792 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.257 -13.257 -3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.206 -13.800 -2.111 1.00 0.00 H new ATOM 538 N GLN A 35 -2.088 -12.154 -1.281 1.00 0.00 N ATOM 539 CA GLN A 35 -3.468 -12.197 -0.803 1.00 0.00 C ATOM 540 C GLN A 35 -4.035 -10.780 -0.678 1.00 0.00 C ATOM 541 O GLN A 35 -5.213 -10.541 -0.944 1.00 0.00 O ATOM 542 CB GLN A 35 -3.602 -12.923 0.556 1.00 0.00 C ATOM 543 CG GLN A 35 -2.887 -14.265 0.630 1.00 0.00 C ATOM 544 CD GLN A 35 -1.383 -14.128 0.808 1.00 0.00 C ATOM 545 OE1 GLN A 35 -0.935 -12.925 1.138 1.00 0.00 O flip ATOM 546 NE2 GLN A 35 -0.642 -15.106 0.717 1.00 0.00 N flip ATOM 0 H GLN A 35 -1.381 -12.279 -0.556 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.036 -12.763 -1.541 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.211 -12.274 1.340 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.660 -13.077 0.768 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.294 -14.842 1.460 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.090 -14.829 -0.280 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.027 -16.015 0.460 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.357 -15.008 0.898 1.00 0.00 H new ATOM 555 N ALA A 36 -3.204 -9.869 -0.179 1.00 0.00 N ATOM 556 CA ALA A 36 -3.619 -8.499 0.111 1.00 0.00 C ATOM 557 C ALA A 36 -4.072 -7.769 -1.137 1.00 0.00 C ATOM 558 O ALA A 36 -5.094 -7.082 -1.132 1.00 0.00 O ATOM 559 CB ALA A 36 -2.480 -7.745 0.769 1.00 0.00 C ATOM 0 H ALA A 36 -2.225 -10.059 0.036 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.470 -8.546 0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.795 -6.724 0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.204 -8.242 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.621 -7.726 0.099 1.00 0.00 H new ATOM 565 N VAL A 37 -3.311 -7.934 -2.206 1.00 0.00 N ATOM 566 CA VAL A 37 -3.626 -7.308 -3.476 1.00 0.00 C ATOM 567 C VAL A 37 -5.036 -7.689 -3.928 1.00 0.00 C ATOM 568 O VAL A 37 -5.772 -6.865 -4.473 1.00 0.00 O ATOM 569 CB VAL A 37 -2.586 -7.694 -4.558 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.572 -9.189 -4.814 1.00 0.00 C ATOM 571 CG2 VAL A 37 -2.829 -6.939 -5.856 1.00 0.00 C ATOM 0 H VAL A 37 -2.464 -8.502 -2.217 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.587 -6.227 -3.339 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.607 -7.408 -4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.830 -9.420 -5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.319 -9.714 -3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.557 -9.509 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.082 -7.233 -6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.824 -7.175 -6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.755 -5.867 -5.673 1.00 0.00 H new ATOM 581 N GLN A 38 -5.406 -8.942 -3.689 1.00 0.00 N ATOM 582 CA GLN A 38 -6.720 -9.429 -4.067 1.00 0.00 C ATOM 583 C GLN A 38 -7.798 -8.761 -3.219 1.00 0.00 C ATOM 584 O GLN A 38 -8.797 -8.283 -3.746 1.00 0.00 O ATOM 585 CB GLN A 38 -6.801 -10.952 -3.905 1.00 0.00 C ATOM 586 CG GLN A 38 -5.599 -11.708 -4.467 1.00 0.00 C ATOM 587 CD GLN A 38 -5.317 -11.459 -5.947 1.00 0.00 C ATOM 588 OE1 GLN A 38 -6.188 -10.735 -6.633 1.00 0.00 O flip ATOM 589 NE2 GLN A 38 -4.323 -11.951 -6.480 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.812 -9.636 -3.235 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.886 -9.179 -5.115 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.901 -11.188 -2.846 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.704 -11.311 -4.398 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.714 -11.433 -3.892 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.757 -12.776 -4.317 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.669 -12.504 -5.927 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.153 -11.805 -7.475 1.00 0.00 H new ATOM 598 N ALA A 39 -7.563 -8.702 -1.909 1.00 0.00 N ATOM 599 CA ALA A 39 -8.494 -8.060 -0.978 1.00 0.00 C ATOM 600 C ALA A 39 -8.724 -6.600 -1.343 1.00 0.00 C ATOM 601 O ALA A 39 -9.846 -6.107 -1.272 1.00 0.00 O ATOM 602 CB ALA A 39 -7.963 -8.151 0.445 1.00 0.00 C ATOM 0 H ALA A 39 -6.732 -9.093 -1.465 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.446 -8.586 -1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.665 -7.670 1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.847 -9.198 0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.997 -7.650 0.506 1.00 0.00 H new ATOM 608 N LEU A 40 -7.642 -5.890 -1.638 1.00 0.00 N ATOM 609 CA LEU A 40 -7.714 -4.457 -1.900 1.00 0.00 C ATOM 610 C LEU A 40 -8.554 -4.187 -3.139 1.00 0.00 C ATOM 611 O LEU A 40 -9.526 -3.437 -3.097 1.00 0.00 O ATOM 612 CB LEU A 40 -6.321 -3.906 -2.154 1.00 0.00 C ATOM 613 CG LEU A 40 -6.060 -2.477 -1.657 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.706 -1.988 -2.141 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.162 -1.514 -2.078 1.00 0.00 C ATOM 0 H LEU A 40 -6.703 -6.283 -1.702 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.163 -3.977 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.598 -4.571 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.130 -3.937 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.057 -2.505 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.535 -0.974 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.924 -2.645 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.685 -1.994 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.935 -0.516 -1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.227 -1.488 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.114 -1.848 -1.666 1.00 0.00 H new ATOM 627 N ALA A 41 -8.161 -4.817 -4.238 1.00 0.00 N ATOM 628 CA ALA A 41 -8.857 -4.666 -5.506 1.00 0.00 C ATOM 629 C ALA A 41 -10.303 -5.100 -5.367 1.00 0.00 C ATOM 630 O ALA A 41 -11.200 -4.560 -6.013 1.00 0.00 O ATOM 631 CB ALA A 41 -8.160 -5.468 -6.594 1.00 0.00 C ATOM 0 H ALA A 41 -7.356 -5.443 -4.275 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.838 -3.614 -5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.694 -5.344 -7.536 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.136 -5.113 -6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.150 -6.523 -6.319 1.00 0.00 H new ATOM 637 N ALA A 42 -10.514 -6.090 -4.519 1.00 0.00 N ATOM 638 CA ALA A 42 -11.852 -6.612 -4.291 1.00 0.00 C ATOM 639 C ALA A 42 -12.716 -5.610 -3.536 1.00 0.00 C ATOM 640 O ALA A 42 -13.886 -5.414 -3.870 1.00 0.00 O ATOM 641 CB ALA A 42 -11.800 -7.931 -3.536 1.00 0.00 C ATOM 0 H ALA A 42 -9.781 -6.548 -3.978 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.304 -6.787 -5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.813 -8.300 -3.378 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.234 -8.660 -4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.315 -7.779 -2.572 1.00 0.00 H new ATOM 647 N CYS A 43 -12.177 -5.070 -2.449 1.00 0.00 N ATOM 648 CA CYS A 43 -12.953 -4.206 -1.575 1.00 0.00 C ATOM 649 C CYS A 43 -13.205 -2.826 -2.193 1.00 0.00 C ATOM 650 O CYS A 43 -14.355 -2.407 -2.312 1.00 0.00 O ATOM 651 CB CYS A 43 -12.261 -4.075 -0.211 1.00 0.00 C ATOM 652 SG CYS A 43 -10.579 -3.426 -0.270 1.00 0.00 S ATOM 0 H CYS A 43 -11.211 -5.215 -2.155 1.00 0.00 H new ATOM 0 HA CYS A 43 -13.929 -4.671 -1.437 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -12.863 -3.425 0.424 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.240 -5.056 0.265 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.089 -3.599 -1.462 1.00 0.00 H new ATOM 658 N GLY A 44 -12.140 -2.105 -2.532 1.00 0.00 N ATOM 659 CA GLY A 44 -12.298 -0.757 -3.054 1.00 0.00 C ATOM 660 C GLY A 44 -12.168 -0.656 -4.559 1.00 0.00 C ATOM 661 O GLY A 44 -12.594 -1.544 -5.302 1.00 0.00 O ATOM 0 H GLY A 44 -11.175 -2.427 -2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.276 -0.377 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.552 -0.110 -2.592 1.00 0.00 H new ATOM 665 N GLU A 45 -11.566 0.439 -5.003 1.00 0.00 N ATOM 666 CA GLU A 45 -11.357 0.693 -6.424 1.00 0.00 C ATOM 667 C GLU A 45 -9.958 0.292 -6.857 1.00 0.00 C ATOM 668 O GLU A 45 -9.259 -0.451 -6.165 1.00 0.00 O ATOM 669 CB GLU A 45 -11.527 2.173 -6.763 1.00 0.00 C ATOM 670 CG GLU A 45 -12.900 2.748 -6.515 1.00 0.00 C ATOM 671 CD GLU A 45 -12.996 4.151 -7.067 1.00 0.00 C ATOM 672 OE1 GLU A 45 -12.233 5.033 -6.613 1.00 0.00 O ATOM 673 OE2 GLU A 45 -13.783 4.364 -8.009 1.00 0.00 O ATOM 0 H GLU A 45 -11.210 1.174 -4.392 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.105 0.098 -6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.803 2.745 -6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.277 2.317 -7.814 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.655 2.115 -6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.109 2.757 -5.445 1.00 0.00 H new ATOM 680 N ARG A 46 -9.504 0.940 -7.925 1.00 0.00 N ATOM 681 CA ARG A 46 -8.132 0.839 -8.365 1.00 0.00 C ATOM 682 C ARG A 46 -7.209 1.476 -7.347 1.00 0.00 C ATOM 683 O ARG A 46 -7.629 2.301 -6.534 1.00 0.00 O ATOM 684 CB ARG A 46 -7.959 1.510 -9.719 1.00 0.00 C ATOM 685 CG ARG A 46 -8.686 0.799 -10.840 1.00 0.00 C ATOM 686 CD ARG A 46 -8.084 -0.574 -11.104 1.00 0.00 C ATOM 687 NE ARG A 46 -8.716 -1.249 -12.238 1.00 0.00 N ATOM 688 CZ ARG A 46 -8.357 -2.450 -12.686 1.00 0.00 C ATOM 689 NH1 ARG A 46 -7.406 -3.135 -12.068 1.00 0.00 N ATOM 690 NH2 ARG A 46 -8.960 -2.972 -13.745 1.00 0.00 N ATOM 0 H ARG A 46 -10.083 1.548 -8.504 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.875 -0.216 -8.463 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.320 2.537 -9.656 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.897 1.559 -9.959 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.740 0.693 -10.584 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.637 1.401 -11.748 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.016 -0.469 -11.296 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.189 -1.192 -10.212 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.479 -0.769 -12.715 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.947 -2.742 -11.246 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.133 -4.055 -12.414 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.700 -2.453 -14.218 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.684 -3.892 -14.087 1.00 0.00 H new ATOM 704 N PHE A 47 -5.989 1.001 -7.326 1.00 0.00 N ATOM 705 CA PHE A 47 -5.031 1.412 -6.330 1.00 0.00 C ATOM 706 C PHE A 47 -3.638 1.395 -6.936 1.00 0.00 C ATOM 707 O PHE A 47 -3.353 0.601 -7.838 1.00 0.00 O ATOM 708 CB PHE A 47 -5.105 0.470 -5.128 1.00 0.00 C ATOM 709 CG PHE A 47 -4.686 -0.948 -5.420 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.342 -1.288 -5.511 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.636 -1.946 -5.558 1.00 0.00 C ATOM 712 CE1 PHE A 47 -2.957 -2.593 -5.743 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.255 -3.255 -5.783 1.00 0.00 C ATOM 714 CZ PHE A 47 -3.916 -3.578 -5.877 1.00 0.00 C ATOM 0 H PHE A 47 -5.632 0.320 -7.997 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.257 2.424 -5.993 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.474 0.866 -4.333 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.127 0.463 -4.750 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.589 -0.522 -5.399 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.685 -1.699 -5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.909 -2.843 -5.820 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.005 -4.026 -5.885 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.618 -4.601 -6.055 1.00 0.00 H new ATOM 724 N ALA A 48 -2.757 2.210 -6.404 1.00 0.00 N ATOM 725 CA ALA A 48 -1.381 2.210 -6.851 1.00 0.00 C ATOM 726 C ALA A 48 -0.535 1.385 -5.908 1.00 0.00 C ATOM 727 O ALA A 48 -0.813 1.322 -4.716 1.00 0.00 O ATOM 728 CB ALA A 48 -0.837 3.619 -6.976 1.00 0.00 C ATOM 0 H ALA A 48 -2.966 2.880 -5.664 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.343 1.762 -7.844 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.199 3.581 -7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.434 4.177 -7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.884 4.115 -6.006 1.00 0.00 H new ATOM 734 N TYR A 49 0.450 0.702 -6.444 1.00 0.00 N ATOM 735 CA TYR A 49 1.272 -0.174 -5.645 1.00 0.00 C ATOM 736 C TYR A 49 2.726 0.103 -5.976 1.00 0.00 C ATOM 737 O TYR A 49 3.046 0.546 -7.083 1.00 0.00 O ATOM 738 CB TYR A 49 0.926 -1.648 -5.915 1.00 0.00 C ATOM 739 CG TYR A 49 1.614 -2.251 -7.113 1.00 0.00 C ATOM 740 CD1 TYR A 49 2.933 -2.670 -7.014 1.00 0.00 C ATOM 741 CD2 TYR A 49 0.948 -2.448 -8.307 1.00 0.00 C ATOM 742 CE1 TYR A 49 3.583 -3.251 -8.075 1.00 0.00 C ATOM 743 CE2 TYR A 49 1.586 -3.038 -9.381 1.00 0.00 C ATOM 744 CZ TYR A 49 2.904 -3.435 -9.263 1.00 0.00 C ATOM 745 OH TYR A 49 3.537 -4.026 -10.333 1.00 0.00 O ATOM 0 H TYR A 49 0.701 0.737 -7.432 1.00 0.00 H new ATOM 0 HA TYR A 49 1.089 0.014 -4.587 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.183 -2.234 -5.033 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.152 -1.734 -6.051 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.461 -2.536 -6.081 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.082 -2.138 -8.402 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.613 -3.560 -7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.056 -3.188 -10.310 1.00 0.00 H new ATOM 0 HH TYR A 49 2.917 -4.081 -11.090 1.00 0.00 H new ATOM 755 N VAL A 50 3.602 -0.159 -5.036 1.00 0.00 N ATOM 756 CA VAL A 50 5.015 0.045 -5.252 1.00 0.00 C ATOM 757 C VAL A 50 5.781 -1.206 -4.889 1.00 0.00 C ATOM 758 O VAL A 50 5.684 -1.696 -3.762 1.00 0.00 O ATOM 759 CB VAL A 50 5.554 1.228 -4.408 1.00 0.00 C ATOM 760 CG1 VAL A 50 7.030 1.460 -4.677 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.761 2.496 -4.678 1.00 0.00 C ATOM 0 H VAL A 50 3.361 -0.515 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 50 5.155 0.278 -6.308 1.00 0.00 H new ATOM 0 HB VAL A 50 5.434 0.966 -3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.383 2.295 -4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.592 0.562 -4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.176 1.689 -5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.160 3.310 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.839 2.756 -5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.714 2.332 -4.421 1.00 0.00 H new ATOM 771 N ASP A 51 6.637 -1.642 -5.797 1.00 0.00 N ATOM 772 CA ASP A 51 7.535 -2.736 -5.509 1.00 0.00 C ATOM 773 C ASP A 51 8.660 -2.250 -4.613 1.00 0.00 C ATOM 774 O ASP A 51 9.164 -1.145 -4.777 1.00 0.00 O ATOM 775 CB ASP A 51 8.088 -3.401 -6.785 1.00 0.00 C ATOM 776 CG ASP A 51 8.818 -2.463 -7.737 1.00 0.00 C ATOM 777 OD1 ASP A 51 8.799 -1.234 -7.528 1.00 0.00 O ATOM 778 OD2 ASP A 51 9.388 -2.965 -8.729 1.00 0.00 O ATOM 0 H ASP A 51 6.726 -1.254 -6.736 1.00 0.00 H new ATOM 0 HA ASP A 51 6.965 -3.506 -4.988 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.769 -4.200 -6.494 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.261 -3.867 -7.321 1.00 0.00 H new ATOM 783 N ILE A 52 8.970 -3.042 -3.602 1.00 0.00 N ATOM 784 CA ILE A 52 9.954 -2.672 -2.589 1.00 0.00 C ATOM 785 C ILE A 52 10.653 -3.905 -2.036 1.00 0.00 C ATOM 786 O ILE A 52 11.865 -3.910 -1.931 1.00 0.00 O ATOM 787 CB ILE A 52 9.352 -1.832 -1.428 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.857 -2.070 -1.279 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.635 -0.359 -1.594 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.505 -3.412 -0.715 1.00 0.00 C ATOM 0 H ILE A 52 8.550 -3.960 -3.456 1.00 0.00 H new ATOM 0 HA ILE A 52 10.683 -2.038 -3.094 1.00 0.00 H new ATOM 0 HB ILE A 52 9.843 -2.168 -0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.439 -1.296 -0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.384 -1.962 -2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.197 0.192 -0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.712 -0.195 -1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.200 -0.008 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.421 -3.503 -0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.890 -4.194 -1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.947 -3.517 0.276 1.00 0.00 H new ATOM 802 N LEU A 53 9.929 -5.018 -1.866 1.00 0.00 N ATOM 803 CA LEU A 53 10.603 -6.282 -1.539 1.00 0.00 C ATOM 804 C LEU A 53 11.514 -6.692 -2.696 1.00 0.00 C ATOM 805 O LEU A 53 12.347 -7.584 -2.569 1.00 0.00 O ATOM 806 CB LEU A 53 9.641 -7.441 -1.218 1.00 0.00 C ATOM 807 CG LEU A 53 8.718 -7.273 -0.008 1.00 0.00 C ATOM 808 CD1 LEU A 53 9.388 -6.439 1.062 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.370 -6.697 -0.401 1.00 0.00 C ATOM 0 H LEU A 53 8.914 -5.072 -1.945 1.00 0.00 H new ATOM 0 HA LEU A 53 11.177 -6.093 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.018 -7.615 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.236 -8.341 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 53 8.528 -8.264 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.716 -6.331 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.306 -6.930 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.625 -5.454 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.746 -6.594 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.512 -5.719 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.883 -7.364 -1.112 1.00 0.00 H new ATOM 821 N GLN A 54 11.354 -5.997 -3.817 1.00 0.00 N ATOM 822 CA GLN A 54 12.159 -6.228 -5.003 1.00 0.00 C ATOM 823 C GLN A 54 13.350 -5.258 -5.029 1.00 0.00 C ATOM 824 O GLN A 54 14.468 -5.654 -5.349 1.00 0.00 O ATOM 825 CB GLN A 54 11.262 -6.095 -6.260 1.00 0.00 C ATOM 826 CG GLN A 54 11.987 -6.241 -7.598 1.00 0.00 C ATOM 827 CD GLN A 54 12.622 -4.953 -8.107 1.00 0.00 C ATOM 828 OE1 GLN A 54 12.334 -3.835 -7.458 1.00 0.00 O flip ATOM 829 NE2 GLN A 54 13.323 -4.957 -9.115 1.00 0.00 N flip ATOM 0 H GLN A 54 10.660 -5.257 -3.925 1.00 0.00 H new ATOM 0 HA GLN A 54 12.571 -7.237 -4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.476 -6.849 -6.207 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.772 -5.122 -6.235 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.762 -7.000 -7.498 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.280 -6.604 -8.344 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.526 -5.836 -9.592 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.702 -4.082 -9.476 1.00 0.00 H new ATOM 838 N ASN A 55 13.115 -4.001 -4.649 1.00 0.00 N ATOM 839 CA ASN A 55 14.190 -3.005 -4.595 1.00 0.00 C ATOM 840 C ASN A 55 15.013 -3.145 -3.326 1.00 0.00 C ATOM 841 O ASN A 55 14.493 -3.446 -2.258 1.00 0.00 O ATOM 842 CB ASN A 55 13.650 -1.569 -4.731 1.00 0.00 C ATOM 843 CG ASN A 55 12.797 -1.092 -3.594 1.00 0.00 C ATOM 844 OD1 ASN A 55 13.189 -1.126 -2.442 1.00 0.00 O ATOM 845 ND2 ASN A 55 11.640 -0.568 -3.934 1.00 0.00 N ATOM 0 H ASN A 55 12.198 -3.649 -4.376 1.00 0.00 H new ATOM 0 HA ASN A 55 14.841 -3.198 -5.448 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.496 -0.890 -4.838 1.00 0.00 H new ATOM 0 HB3 ASN A 55 13.069 -1.503 -5.651 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.031 -0.169 -3.220 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.351 -0.561 -4.912 1.00 0.00 H new ATOM 852 N PRO A 56 16.326 -2.974 -3.432 1.00 0.00 N ATOM 853 CA PRO A 56 17.212 -3.101 -2.291 1.00 0.00 C ATOM 854 C PRO A 56 17.172 -1.873 -1.378 1.00 0.00 C ATOM 855 O PRO A 56 17.327 -1.990 -0.161 1.00 0.00 O ATOM 856 CB PRO A 56 18.592 -3.258 -2.930 1.00 0.00 C ATOM 857 CG PRO A 56 18.489 -2.566 -4.246 1.00 0.00 C ATOM 858 CD PRO A 56 17.053 -2.683 -4.681 1.00 0.00 C ATOM 0 HA PRO A 56 16.931 -3.934 -1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.368 -2.811 -2.309 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.851 -4.309 -3.056 1.00 0.00 H new ATOM 0 HG2 PRO A 56 18.783 -1.520 -4.158 1.00 0.00 H new ATOM 0 HG3 PRO A 56 19.154 -3.024 -4.978 1.00 0.00 H new ATOM 0 HD2 PRO A 56 16.699 -1.761 -5.143 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.921 -3.479 -5.414 1.00 0.00 H new ATOM 866 N ASP A 57 17.147 -0.692 -1.990 1.00 0.00 N ATOM 867 CA ASP A 57 17.312 0.561 -1.241 1.00 0.00 C ATOM 868 C ASP A 57 16.041 0.991 -0.520 1.00 0.00 C ATOM 869 O ASP A 57 16.060 1.276 0.680 1.00 0.00 O ATOM 870 CB ASP A 57 17.756 1.691 -2.175 1.00 0.00 C ATOM 871 CG ASP A 57 19.063 1.398 -2.879 1.00 0.00 C ATOM 872 OD1 ASP A 57 20.084 1.191 -2.188 1.00 0.00 O ATOM 873 OD2 ASP A 57 19.077 1.375 -4.128 1.00 0.00 O ATOM 0 H ASP A 57 17.015 -0.571 -2.994 1.00 0.00 H new ATOM 0 HA ASP A 57 18.077 0.367 -0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 57 16.980 1.865 -2.920 1.00 0.00 H new ATOM 0 HB3 ASP A 57 17.858 2.611 -1.600 1.00 0.00 H new ATOM 878 N ILE A 58 14.965 1.126 -1.281 1.00 0.00 N ATOM 879 CA ILE A 58 13.698 1.631 -0.755 1.00 0.00 C ATOM 880 C ILE A 58 13.155 0.692 0.312 1.00 0.00 C ATOM 881 O ILE A 58 12.615 1.130 1.332 1.00 0.00 O ATOM 882 CB ILE A 58 12.663 1.800 -1.890 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.251 2.662 -3.013 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.390 2.434 -1.358 1.00 0.00 C ATOM 885 CD1 ILE A 58 12.320 2.850 -4.192 1.00 0.00 C ATOM 0 H ILE A 58 14.941 0.892 -2.273 1.00 0.00 H new ATOM 0 HA ILE A 58 13.881 2.607 -0.305 1.00 0.00 H new ATOM 0 HB ILE A 58 12.420 0.815 -2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.512 3.640 -2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.177 2.205 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.672 2.546 -2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.964 1.798 -0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.619 3.414 -0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.807 3.471 -4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.079 1.879 -4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.404 3.336 -3.858 1.00 0.00 H new ATOM 897 N ARG A 59 13.316 -0.597 0.062 1.00 0.00 N ATOM 898 CA ARG A 59 12.869 -1.646 0.969 1.00 0.00 C ATOM 899 C ARG A 59 13.418 -1.457 2.376 1.00 0.00 C ATOM 900 O ARG A 59 12.822 -1.925 3.338 1.00 0.00 O ATOM 901 CB ARG A 59 13.323 -3.000 0.435 1.00 0.00 C ATOM 902 CG ARG A 59 12.948 -4.191 1.301 1.00 0.00 C ATOM 903 CD ARG A 59 13.445 -5.477 0.670 1.00 0.00 C ATOM 904 NE ARG A 59 13.174 -6.658 1.487 1.00 0.00 N ATOM 905 CZ ARG A 59 13.507 -7.893 1.119 1.00 0.00 C ATOM 906 NH1 ARG A 59 14.094 -8.101 -0.057 1.00 0.00 N ATOM 907 NH2 ARG A 59 13.262 -8.917 1.926 1.00 0.00 N ATOM 0 H ARG A 59 13.765 -0.950 -0.783 1.00 0.00 H new ATOM 0 HA ARG A 59 11.781 -1.597 1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.897 -3.143 -0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.406 -2.982 0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.378 -4.076 2.296 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.866 -4.233 1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.975 -5.602 -0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.519 -5.400 0.499 1.00 0.00 H new ATOM 0 HE ARG A 59 12.706 -6.529 2.384 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.289 -7.314 -0.676 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.349 -9.047 -0.339 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.818 -8.759 2.830 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.518 -9.863 1.642 1.00 0.00 H new ATOM 921 N ALA A 60 14.635 -0.949 2.475 1.00 0.00 N ATOM 922 CA ALA A 60 15.317 -0.914 3.754 1.00 0.00 C ATOM 923 C ALA A 60 14.890 0.258 4.639 1.00 0.00 C ATOM 924 O ALA A 60 14.665 0.070 5.828 1.00 0.00 O ATOM 925 CB ALA A 60 16.823 -0.891 3.541 1.00 0.00 C ATOM 0 H ALA A 60 15.164 -0.560 1.695 1.00 0.00 H new ATOM 0 HA ALA A 60 15.029 -1.821 4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 60 17.327 -0.865 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 60 17.127 -1.785 2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 60 17.096 -0.006 2.966 1.00 0.00 H new ATOM 931 N GLU A 61 14.973 1.475 4.116 1.00 0.00 N ATOM 932 CA GLU A 61 14.807 2.675 4.952 1.00 0.00 C ATOM 933 C GLU A 61 13.347 3.000 5.238 1.00 0.00 C ATOM 934 O GLU A 61 12.976 3.344 6.359 1.00 0.00 O ATOM 935 CB GLU A 61 15.436 3.878 4.254 1.00 0.00 C ATOM 936 CG GLU A 61 16.898 3.674 3.892 1.00 0.00 C ATOM 937 CD GLU A 61 17.518 4.891 3.239 1.00 0.00 C ATOM 938 OE1 GLU A 61 17.518 5.970 3.869 1.00 0.00 O ATOM 939 OE2 GLU A 61 18.024 4.768 2.105 1.00 0.00 O ATOM 0 H GLU A 61 15.152 1.665 3.130 1.00 0.00 H new ATOM 0 HA GLU A 61 15.299 2.464 5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.873 4.097 3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 61 15.349 4.750 4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.459 3.426 4.793 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.985 2.822 3.218 1.00 0.00 H new ATOM 946 N LEU A 62 12.579 3.054 4.172 1.00 0.00 N ATOM 947 CA LEU A 62 11.203 3.532 4.199 1.00 0.00 C ATOM 948 C LEU A 62 10.259 2.780 5.145 1.00 0.00 C ATOM 949 O LEU A 62 9.482 3.421 5.853 1.00 0.00 O ATOM 950 CB LEU A 62 10.703 3.547 2.771 1.00 0.00 C ATOM 951 CG LEU A 62 9.264 3.106 2.514 1.00 0.00 C ATOM 952 CD1 LEU A 62 8.233 4.059 3.077 1.00 0.00 C ATOM 953 CD2 LEU A 62 9.081 2.964 1.038 1.00 0.00 C ATOM 0 H LEU A 62 12.892 2.764 3.246 1.00 0.00 H new ATOM 0 HA LEU A 62 11.205 4.534 4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.816 4.561 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.359 2.908 2.180 1.00 0.00 H new ATOM 0 HG LEU A 62 9.105 2.158 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.233 3.684 2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.362 4.139 4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.360 5.042 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.059 2.649 0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.273 3.921 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.777 2.218 0.655 1.00 0.00 H new ATOM 965 N PRO A 63 10.293 1.444 5.206 1.00 0.00 N ATOM 966 CA PRO A 63 9.411 0.692 6.106 1.00 0.00 C ATOM 967 C PRO A 63 9.607 1.118 7.548 1.00 0.00 C ATOM 968 O PRO A 63 8.648 1.259 8.315 1.00 0.00 O ATOM 969 CB PRO A 63 9.857 -0.754 5.913 1.00 0.00 C ATOM 970 CG PRO A 63 11.216 -0.657 5.326 1.00 0.00 C ATOM 971 CD PRO A 63 11.177 0.551 4.451 1.00 0.00 C ATOM 0 HA PRO A 63 8.355 0.852 5.888 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.873 -1.293 6.860 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.178 -1.292 5.252 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.974 -0.557 6.102 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.463 -1.551 4.753 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.167 0.983 4.307 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.781 0.325 3.461 1.00 0.00 H new ATOM 979 N LYS A 64 10.865 1.366 7.883 1.00 0.00 N ATOM 980 CA LYS A 64 11.259 1.824 9.199 1.00 0.00 C ATOM 981 C LYS A 64 10.509 3.081 9.584 1.00 0.00 C ATOM 982 O LYS A 64 10.118 3.260 10.737 1.00 0.00 O ATOM 983 CB LYS A 64 12.746 2.093 9.192 1.00 0.00 C ATOM 984 CG LYS A 64 13.548 0.854 8.900 1.00 0.00 C ATOM 985 CD LYS A 64 14.963 1.185 8.465 1.00 0.00 C ATOM 986 CE LYS A 64 15.783 1.951 9.496 1.00 0.00 C ATOM 987 NZ LYS A 64 15.298 3.337 9.734 1.00 0.00 N ATOM 0 H LYS A 64 11.647 1.252 7.238 1.00 0.00 H new ATOM 0 HA LYS A 64 11.018 1.054 9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.972 2.854 8.445 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.045 2.497 10.159 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.580 0.224 9.789 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.053 0.277 8.118 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.481 0.257 8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.919 1.772 7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.769 1.403 10.438 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.821 1.990 9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.112 3.977 9.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.713 3.643 8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.730 3.361 10.605 1.00 0.00 H new ATOM 1001 N TYR A 65 10.329 3.961 8.613 1.00 0.00 N ATOM 1002 CA TYR A 65 9.644 5.208 8.860 1.00 0.00 C ATOM 1003 C TYR A 65 8.183 4.944 9.211 1.00 0.00 C ATOM 1004 O TYR A 65 7.624 5.634 10.065 1.00 0.00 O ATOM 1005 CB TYR A 65 9.829 6.182 7.664 1.00 0.00 C ATOM 1006 CG TYR A 65 8.605 6.519 6.811 1.00 0.00 C ATOM 1007 CD1 TYR A 65 7.445 7.046 7.377 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.634 6.359 5.424 1.00 0.00 C ATOM 1009 CE1 TYR A 65 6.356 7.382 6.603 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.546 6.711 4.646 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.412 7.216 5.241 1.00 0.00 C ATOM 1012 OH TYR A 65 5.334 7.578 4.471 1.00 0.00 O ATOM 0 H TYR A 65 10.648 3.831 7.653 1.00 0.00 H new ATOM 0 HA TYR A 65 10.086 5.705 9.723 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.230 7.117 8.055 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.588 5.760 7.005 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.399 7.194 8.446 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.518 5.955 4.953 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.462 7.774 7.065 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.586 6.590 3.574 1.00 0.00 H new ATOM 0 HH TYR A 65 4.587 6.968 4.646 1.00 0.00 H new ATOM 1022 N ALA A 66 7.531 4.012 8.507 1.00 0.00 N ATOM 1023 CA ALA A 66 6.112 3.799 8.746 1.00 0.00 C ATOM 1024 C ALA A 66 5.837 2.926 9.975 1.00 0.00 C ATOM 1025 O ALA A 66 5.247 3.399 10.947 1.00 0.00 O ATOM 1026 CB ALA A 66 5.512 3.137 7.526 1.00 0.00 C ATOM 0 H ALA A 66 7.950 3.416 7.793 1.00 0.00 H new ATOM 0 HA ALA A 66 5.661 4.773 8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.447 2.970 7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.649 3.781 6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.006 2.181 7.350 1.00 0.00 H new ATOM 1032 N ASN A 67 6.392 1.709 9.996 1.00 0.00 N ATOM 1033 CA ASN A 67 6.328 0.854 11.187 1.00 0.00 C ATOM 1034 C ASN A 67 7.147 -0.420 10.971 1.00 0.00 C ATOM 1035 O ASN A 67 7.990 -0.801 11.786 1.00 0.00 O ATOM 1036 CB ASN A 67 4.871 0.502 11.512 1.00 0.00 C ATOM 1037 CG ASN A 67 4.702 -0.238 12.826 1.00 0.00 C ATOM 1038 OD1 ASN A 67 5.233 -1.331 13.025 1.00 0.00 O ATOM 1039 ND2 ASN A 67 3.946 0.362 13.732 1.00 0.00 N ATOM 0 H ASN A 67 6.888 1.295 9.206 1.00 0.00 H new ATOM 0 HA ASN A 67 6.750 1.400 12.030 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.283 1.419 11.543 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.465 -0.109 10.706 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.785 -0.081 14.636 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.525 1.268 13.526 1.00 0.00 H new ATOM 1046 N TRP A 68 6.790 -1.108 9.885 1.00 0.00 N ATOM 1047 CA TRP A 68 7.343 -2.412 9.506 1.00 0.00 C ATOM 1048 C TRP A 68 8.854 -2.400 9.295 1.00 0.00 C ATOM 1049 O TRP A 68 9.412 -1.423 8.818 1.00 0.00 O ATOM 1050 CB TRP A 68 6.696 -2.894 8.205 1.00 0.00 C ATOM 1051 CG TRP A 68 5.362 -3.568 8.337 1.00 0.00 C ATOM 1052 CD1 TRP A 68 5.066 -4.816 7.878 1.00 0.00 C ATOM 1053 CD2 TRP A 68 4.149 -3.057 8.913 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.758 -5.125 8.148 1.00 0.00 N ATOM 1055 CE2 TRP A 68 3.173 -4.066 8.783 1.00 0.00 C ATOM 1056 CE3 TRP A 68 3.790 -1.861 9.533 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.869 -3.910 9.246 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.494 -1.709 9.994 1.00 0.00 C ATOM 1059 CH2 TRP A 68 1.550 -2.728 9.851 1.00 0.00 C ATOM 0 H TRP A 68 6.090 -0.766 9.227 1.00 0.00 H new ATOM 0 HA TRP A 68 7.125 -3.078 10.341 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.582 -2.037 7.541 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.382 -3.586 7.717 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.763 -5.469 7.373 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.296 -6.004 7.913 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.511 -1.066 9.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.137 -4.695 9.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 2.207 -0.785 10.473 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.548 -2.578 10.226 1.00 0.00 H new ATOM 1070 N PRO A 69 9.519 -3.548 9.531 1.00 0.00 N ATOM 1071 CA PRO A 69 10.943 -3.709 9.215 1.00 0.00 C ATOM 1072 C PRO A 69 11.171 -3.579 7.709 1.00 0.00 C ATOM 1073 O PRO A 69 12.075 -2.877 7.262 1.00 0.00 O ATOM 1074 CB PRO A 69 11.268 -5.123 9.700 1.00 0.00 C ATOM 1075 CG PRO A 69 9.962 -5.845 9.696 1.00 0.00 C ATOM 1076 CD PRO A 69 8.907 -4.813 9.988 1.00 0.00 C ATOM 0 HA PRO A 69 11.573 -2.953 9.684 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.989 -5.609 9.043 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.706 -5.107 10.698 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.784 -6.321 8.732 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.952 -6.634 10.448 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.981 -5.025 9.454 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.663 -4.779 11.050 1.00 0.00 H new ATOM 1084 N THR A 70 10.236 -4.144 6.951 1.00 0.00 N ATOM 1085 CA THR A 70 10.175 -3.995 5.504 1.00 0.00 C ATOM 1086 C THR A 70 8.708 -3.893 5.084 1.00 0.00 C ATOM 1087 O THR A 70 7.987 -3.035 5.574 1.00 0.00 O ATOM 1088 CB THR A 70 10.883 -5.148 4.760 1.00 0.00 C ATOM 1089 OG1 THR A 70 10.319 -6.409 5.129 1.00 0.00 O ATOM 1090 CG2 THR A 70 12.376 -5.144 5.060 1.00 0.00 C ATOM 0 H THR A 70 9.490 -4.726 7.332 1.00 0.00 H new ATOM 0 HA THR A 70 10.708 -3.085 5.228 1.00 0.00 H new ATOM 0 HB THR A 70 10.738 -4.997 3.690 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.779 -7.127 4.646 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.857 -5.964 4.526 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.809 -4.197 4.737 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.532 -5.268 6.132 1.00 0.00 H new ATOM 1098 N PHE A 71 8.253 -4.750 4.187 1.00 0.00 N ATOM 1099 CA PHE A 71 6.866 -4.694 3.744 1.00 0.00 C ATOM 1100 C PHE A 71 6.320 -6.128 3.631 1.00 0.00 C ATOM 1101 O PHE A 71 6.994 -7.059 4.082 1.00 0.00 O ATOM 1102 CB PHE A 71 6.780 -3.935 2.407 1.00 0.00 C ATOM 1103 CG PHE A 71 7.402 -2.558 2.420 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.781 -2.403 2.399 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.609 -1.419 2.428 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.350 -1.155 2.396 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.180 -0.161 2.426 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.552 -0.033 2.411 1.00 0.00 C ATOM 0 H PHE A 71 8.813 -5.485 3.754 1.00 0.00 H new ATOM 0 HA PHE A 71 6.254 -4.154 4.466 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.267 -4.531 1.635 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.731 -3.842 2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.415 -3.277 2.385 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.534 -1.517 2.436 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.425 -1.052 2.382 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.554 0.719 2.436 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.002 0.949 2.411 1.00 0.00 H new ATOM 1118 N PRO A 72 5.133 -6.385 3.016 1.00 0.00 N ATOM 1119 CA PRO A 72 4.226 -5.379 2.422 1.00 0.00 C ATOM 1120 C PRO A 72 3.568 -4.444 3.435 1.00 0.00 C ATOM 1121 O PRO A 72 3.328 -4.815 4.586 1.00 0.00 O ATOM 1122 CB PRO A 72 3.159 -6.215 1.714 1.00 0.00 C ATOM 1123 CG PRO A 72 3.168 -7.525 2.414 1.00 0.00 C ATOM 1124 CD PRO A 72 4.575 -7.745 2.894 1.00 0.00 C ATOM 0 HA PRO A 72 4.786 -4.711 1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.180 -5.741 1.778 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.388 -6.332 0.655 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.469 -7.522 3.250 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.858 -8.326 1.742 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.592 -8.270 3.849 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.147 -8.348 2.189 1.00 0.00 H new ATOM 1132 N GLN A 73 3.185 -3.262 2.952 1.00 0.00 N ATOM 1133 CA GLN A 73 2.444 -2.290 3.750 1.00 0.00 C ATOM 1134 C GLN A 73 1.429 -1.569 2.863 1.00 0.00 C ATOM 1135 O GLN A 73 1.770 -1.084 1.785 1.00 0.00 O ATOM 1136 CB GLN A 73 3.355 -1.217 4.339 1.00 0.00 C ATOM 1137 CG GLN A 73 4.555 -1.706 5.127 1.00 0.00 C ATOM 1138 CD GLN A 73 5.397 -0.539 5.630 1.00 0.00 C ATOM 1139 OE1 GLN A 73 6.414 -0.718 6.280 1.00 0.00 O ATOM 1140 NE2 GLN A 73 4.961 0.677 5.341 1.00 0.00 N ATOM 0 H GLN A 73 3.380 -2.954 1.999 1.00 0.00 H new ATOM 0 HA GLN A 73 1.964 -2.844 4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.715 -0.590 3.523 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.756 -0.580 4.990 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.218 -2.306 5.972 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.166 -2.355 4.499 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.107 0.796 4.796 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.479 1.494 5.664 1.00 0.00 H new ATOM 1149 N LEU A 74 0.206 -1.461 3.345 1.00 0.00 N ATOM 1150 CA LEU A 74 -0.852 -0.752 2.633 1.00 0.00 C ATOM 1151 C LEU A 74 -0.956 0.683 3.146 1.00 0.00 C ATOM 1152 O LEU A 74 -0.919 0.914 4.355 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.169 -1.524 2.808 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.401 -1.028 2.027 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -3.961 0.259 2.609 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.049 -0.828 0.565 1.00 0.00 C ATOM 0 H LEU A 74 -0.087 -1.859 4.237 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.625 -0.697 1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.989 -2.562 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.421 -1.521 3.868 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.173 -1.793 2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.828 0.574 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.259 0.091 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.198 1.037 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.928 -0.477 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.252 -0.089 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.714 -1.774 0.139 1.00 0.00 H new ATOM 1168 N TRP A 75 -1.118 1.630 2.228 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.269 3.033 2.575 1.00 0.00 C ATOM 1170 C TRP A 75 -2.579 3.592 2.019 1.00 0.00 C ATOM 1171 O TRP A 75 -2.862 3.490 0.825 1.00 0.00 O ATOM 1172 CB TRP A 75 -0.099 3.853 2.038 1.00 0.00 C ATOM 1173 CG TRP A 75 1.223 3.475 2.624 1.00 0.00 C ATOM 1174 CD1 TRP A 75 1.978 2.369 2.350 1.00 0.00 C ATOM 1175 CD2 TRP A 75 1.917 4.195 3.637 1.00 0.00 C ATOM 1176 NE1 TRP A 75 3.125 2.389 3.107 1.00 0.00 N ATOM 1177 CE2 TRP A 75 3.103 3.497 3.911 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.653 5.374 4.327 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 4.020 3.942 4.848 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.567 5.816 5.264 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.737 5.100 5.515 1.00 0.00 C ATOM 0 H TRP A 75 -1.148 1.444 1.226 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.285 3.104 3.663 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.053 3.736 0.955 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.286 4.908 2.237 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.713 1.595 1.644 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.870 1.693 3.075 1.00 0.00 H new ATOM 0 HE3 TRP A 75 0.750 5.934 4.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 4.928 3.392 5.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.373 6.728 5.809 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.434 5.469 6.253 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.339 4.235 2.882 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.586 4.878 2.495 1.00 0.00 C ATOM 1194 C VAL A 76 -4.447 6.381 2.690 1.00 0.00 C ATOM 1195 O VAL A 76 -4.169 6.821 3.802 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.749 4.368 3.373 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -7.075 4.971 2.953 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -5.820 2.857 3.343 1.00 0.00 C ATOM 0 H VAL A 76 -3.113 4.329 3.872 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.797 4.645 1.451 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.550 4.688 4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.868 4.588 3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.027 6.056 3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.285 4.703 1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.646 2.519 3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.979 2.520 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.886 2.441 3.721 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.600 7.157 1.609 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.446 8.623 1.668 1.00 0.00 C ATOM 1210 C ASP A 77 -3.058 8.952 2.229 1.00 0.00 C ATOM 1211 O ASP A 77 -2.817 9.950 2.901 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.568 9.188 2.538 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.722 10.709 2.534 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -4.831 11.431 3.014 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -6.760 11.200 2.041 1.00 0.00 O ATOM 0 H ASP A 77 -4.830 6.798 0.682 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.520 9.075 0.679 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.510 8.747 2.212 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.402 8.863 3.565 1.00 0.00 H new ATOM 1220 N GLY A 78 -2.151 8.049 1.943 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.781 8.164 2.401 1.00 0.00 C ATOM 1222 C GLY A 78 -0.612 7.859 3.880 1.00 0.00 C ATOM 1223 O GLY A 78 0.323 8.353 4.516 1.00 0.00 O ATOM 0 H GLY A 78 -2.338 7.214 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.154 7.484 1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.423 9.174 2.203 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.476 7.004 4.414 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.380 6.582 5.806 1.00 0.00 C ATOM 1229 C GLU A 79 -1.328 5.062 5.908 1.00 0.00 C ATOM 1230 O GLU A 79 -2.047 4.358 5.205 1.00 0.00 O ATOM 1231 CB GLU A 79 -2.547 7.119 6.630 1.00 0.00 C ATOM 1232 CG GLU A 79 -2.582 8.634 6.724 1.00 0.00 C ATOM 1233 CD GLU A 79 -3.698 9.129 7.617 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -3.715 8.759 8.811 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -4.560 9.893 7.139 1.00 0.00 O ATOM 0 H GLU A 79 -2.254 6.588 3.902 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.456 6.995 6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.481 6.769 6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.492 6.703 7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.627 8.994 7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.705 9.055 5.726 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.402 4.570 6.715 1.00 0.00 N ATOM 1243 CA LEU A 80 -0.156 3.144 6.836 1.00 0.00 C ATOM 1244 C LEU A 80 -1.285 2.412 7.565 1.00 0.00 C ATOM 1245 O LEU A 80 -1.639 2.753 8.697 1.00 0.00 O ATOM 1246 CB LEU A 80 1.168 2.920 7.567 1.00 0.00 C ATOM 1247 CG LEU A 80 1.505 1.464 7.855 1.00 0.00 C ATOM 1248 CD1 LEU A 80 1.760 0.701 6.569 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.699 1.374 8.784 1.00 0.00 C ATOM 0 H LEU A 80 0.199 5.147 7.303 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.108 2.731 5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.972 3.353 6.972 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.141 3.465 8.511 1.00 0.00 H new ATOM 0 HG LEU A 80 0.649 1.005 8.349 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.999 -0.337 6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.869 0.736 5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.596 1.154 6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.928 0.327 8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.560 1.853 8.317 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.468 1.878 9.723 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.740 1.319 6.960 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.701 0.422 7.591 1.00 0.00 C ATOM 1263 C VAL A 81 -2.028 -0.914 7.943 1.00 0.00 C ATOM 1264 O VAL A 81 -2.130 -1.400 9.065 1.00 0.00 O ATOM 1265 CB VAL A 81 -3.924 0.159 6.667 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -4.884 -0.844 7.292 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.659 1.458 6.358 1.00 0.00 C ATOM 0 H VAL A 81 -1.455 1.032 6.024 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.055 0.905 8.502 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.545 -0.262 5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.728 -1.006 6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.366 -1.789 7.458 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.246 -0.456 8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.510 1.249 5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.011 1.907 7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.982 2.149 5.855 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.376 -1.512 6.951 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.732 -2.810 7.122 1.00 0.00 C ATOM 1279 C GLY A 82 -0.823 -3.611 5.843 1.00 0.00 C ATOM 1280 O GLY A 82 -1.798 -3.463 5.122 1.00 0.00 O ATOM 0 H GLY A 82 -1.279 -1.116 6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.313 -2.672 7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.208 -3.356 7.936 1.00 0.00 H new ATOM 1284 N GLY A 83 0.269 -4.238 5.427 1.00 0.00 N ATOM 1285 CA GLY A 83 0.302 -4.760 4.069 1.00 0.00 C ATOM 1286 C GLY A 83 -0.311 -6.133 3.855 1.00 0.00 C ATOM 1287 O GLY A 83 -1.194 -6.271 3.028 1.00 0.00 O ATOM 0 H GLY A 83 1.110 -4.393 5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.212 -4.052 3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.341 -4.796 3.743 1.00 0.00 H new ATOM 1291 N CYS A 84 0.257 -7.174 4.448 1.00 0.00 N ATOM 1292 CA CYS A 84 -0.187 -8.527 4.103 1.00 0.00 C ATOM 1293 C CYS A 84 -1.473 -8.932 4.826 1.00 0.00 C ATOM 1294 O CYS A 84 -2.506 -9.165 4.197 1.00 0.00 O ATOM 1295 CB CYS A 84 0.931 -9.543 4.367 1.00 0.00 C ATOM 1296 SG CYS A 84 1.547 -9.566 6.069 1.00 0.00 S ATOM 0 H CYS A 84 0.999 -7.120 5.146 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.419 -8.522 3.038 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.566 -10.538 4.114 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.763 -9.329 3.697 1.00 0.00 H new ATOM 0 HG CYS A 84 2.485 -10.460 6.179 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.360 -9.116 6.135 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.457 -9.623 6.956 1.00 0.00 C ATOM 1304 C ASP A 85 -3.513 -8.566 7.172 1.00 0.00 C ATOM 1305 O ASP A 85 -4.708 -8.858 7.176 1.00 0.00 O ATOM 1306 CB ASP A 85 -1.936 -10.102 8.314 1.00 0.00 C ATOM 1307 CG ASP A 85 -0.941 -11.245 8.215 1.00 0.00 C ATOM 1308 OD1 ASP A 85 -0.663 -11.715 7.092 1.00 0.00 O ATOM 1309 OD2 ASP A 85 -0.429 -11.675 9.271 1.00 0.00 O ATOM 0 H ASP A 85 -0.507 -8.919 6.659 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.904 -10.461 6.422 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.465 -9.265 8.829 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.780 -10.418 8.927 1.00 0.00 H new ATOM 1314 N ILE A 86 -3.057 -7.359 7.461 1.00 0.00 N ATOM 1315 CA ILE A 86 -3.952 -6.272 7.811 1.00 0.00 C ATOM 1316 C ILE A 86 -4.951 -6.007 6.691 1.00 0.00 C ATOM 1317 O ILE A 86 -6.145 -5.890 6.945 1.00 0.00 O ATOM 1318 CB ILE A 86 -3.177 -4.981 8.129 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -2.180 -5.211 9.272 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -4.152 -3.871 8.488 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -2.823 -5.629 10.578 1.00 0.00 C ATOM 0 H ILE A 86 -2.068 -7.108 7.460 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.493 -6.579 8.706 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.612 -4.686 7.245 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.467 -5.977 8.969 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.613 -4.294 9.435 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.599 -2.959 8.712 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.823 -3.691 7.648 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.734 -4.166 9.361 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.051 -5.771 11.334 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.515 -4.854 10.907 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.366 -6.563 10.434 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.469 -5.964 5.453 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.347 -5.765 4.305 1.00 0.00 C ATOM 1335 C VAL A 87 -6.423 -6.839 4.243 1.00 0.00 C ATOM 1336 O VAL A 87 -7.598 -6.518 4.118 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.570 -5.745 2.973 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.516 -5.684 1.781 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.629 -4.561 2.934 1.00 0.00 C ATOM 0 H VAL A 87 -3.481 -6.064 5.220 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.815 -4.790 4.443 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.996 -6.669 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.937 -5.671 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.168 -6.558 1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.121 -4.779 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.086 -4.558 1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.201 -3.638 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.920 -4.632 3.759 1.00 0.00 H new ATOM 1349 N ILE A 88 -6.031 -8.103 4.382 1.00 0.00 N ATOM 1350 CA ILE A 88 -7.001 -9.192 4.383 1.00 0.00 C ATOM 1351 C ILE A 88 -7.994 -9.034 5.520 1.00 0.00 C ATOM 1352 O ILE A 88 -9.200 -9.138 5.315 1.00 0.00 O ATOM 1353 CB ILE A 88 -6.333 -10.578 4.510 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.439 -10.859 3.304 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -7.391 -11.669 4.654 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -6.190 -10.910 1.991 1.00 0.00 C ATOM 0 H ILE A 88 -5.060 -8.395 4.494 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.514 -9.138 3.423 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.711 -10.577 5.405 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.671 -10.088 3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.926 -11.808 3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.903 -12.640 4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.989 -11.481 5.546 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -8.038 -11.667 3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.491 -11.113 1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.940 -11.700 2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.681 -9.953 1.815 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.484 -8.844 6.726 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.345 -8.759 7.891 1.00 0.00 C ATOM 1370 C GLU A 89 -9.289 -7.569 7.780 1.00 0.00 C ATOM 1371 O GLU A 89 -10.497 -7.732 7.897 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.515 -8.671 9.174 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.352 -8.711 10.440 1.00 0.00 C ATOM 1374 CD GLU A 89 -7.510 -8.666 11.697 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -6.811 -7.659 11.919 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -7.533 -9.651 12.461 1.00 0.00 O ATOM 0 H GLU A 89 -6.488 -8.747 6.922 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.946 -9.668 7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.802 -9.495 9.193 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.935 -7.748 9.160 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.044 -7.869 10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.955 -9.619 10.444 1.00 0.00 H new ATOM 1383 N MET A 90 -8.745 -6.393 7.479 1.00 0.00 N ATOM 1384 CA MET A 90 -9.557 -5.190 7.280 1.00 0.00 C ATOM 1385 C MET A 90 -10.582 -5.404 6.168 1.00 0.00 C ATOM 1386 O MET A 90 -11.748 -5.036 6.308 1.00 0.00 O ATOM 1387 CB MET A 90 -8.673 -3.975 6.973 1.00 0.00 C ATOM 1388 CG MET A 90 -7.758 -3.579 8.117 1.00 0.00 C ATOM 1389 SD MET A 90 -8.659 -3.148 9.616 1.00 0.00 S ATOM 1390 CE MET A 90 -7.296 -2.767 10.715 1.00 0.00 C ATOM 0 H MET A 90 -7.742 -6.245 7.367 1.00 0.00 H new ATOM 0 HA MET A 90 -10.095 -4.992 8.207 1.00 0.00 H new ATOM 0 HB2 MET A 90 -8.067 -4.191 6.093 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.311 -3.128 6.720 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.076 -4.402 8.332 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.146 -2.731 7.810 1.00 0.00 H new ATOM 0 HE1 MET A 90 -7.685 -2.480 11.692 1.00 0.00 H new ATOM 0 HE2 MET A 90 -6.659 -3.645 10.822 1.00 0.00 H new ATOM 0 HE3 MET A 90 -6.713 -1.944 10.301 1.00 0.00 H new ATOM 1400 N TYR A 91 -10.155 -6.085 5.115 1.00 0.00 N ATOM 1401 CA TYR A 91 -11.033 -6.471 4.017 1.00 0.00 C ATOM 1402 C TYR A 91 -12.178 -7.366 4.493 1.00 0.00 C ATOM 1403 O TYR A 91 -13.342 -7.117 4.174 1.00 0.00 O ATOM 1404 CB TYR A 91 -10.192 -7.189 2.962 1.00 0.00 C ATOM 1405 CG TYR A 91 -10.958 -8.091 2.027 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.844 -7.604 1.074 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.762 -9.458 2.104 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -12.516 -8.468 0.232 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -11.423 -10.325 1.274 1.00 0.00 C ATOM 1410 CZ TYR A 91 -12.304 -9.829 0.336 1.00 0.00 C ATOM 1411 OH TYR A 91 -12.983 -10.691 -0.494 1.00 0.00 O ATOM 0 H TYR A 91 -9.188 -6.387 4.996 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.490 -5.577 3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.668 -6.440 2.368 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.432 -7.782 3.470 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -12.009 -6.540 0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.072 -9.851 2.836 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.204 -8.081 -0.505 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.255 -11.389 1.354 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.720 -11.613 -0.294 1.00 0.00 H new ATOM 1421 N GLN A 92 -11.846 -8.400 5.255 1.00 0.00 N ATOM 1422 CA GLN A 92 -12.854 -9.317 5.773 1.00 0.00 C ATOM 1423 C GLN A 92 -13.772 -8.591 6.753 1.00 0.00 C ATOM 1424 O GLN A 92 -14.994 -8.726 6.691 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.201 -10.528 6.436 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.340 -11.339 5.480 1.00 0.00 C ATOM 1427 CD GLN A 92 -10.762 -12.583 6.117 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -10.020 -12.514 7.097 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -11.094 -13.733 5.554 1.00 0.00 N ATOM 0 H GLN A 92 -10.889 -8.625 5.528 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.454 -9.678 4.938 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.587 -10.191 7.271 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.978 -11.171 6.850 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.938 -11.625 4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.526 -10.714 5.113 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.712 -13.744 4.743 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.732 -14.609 5.931 1.00 0.00 H new ATOM 1438 N ARG A 93 -13.173 -7.730 7.575 1.00 0.00 N ATOM 1439 CA ARG A 93 -13.924 -6.862 8.481 1.00 0.00 C ATOM 1440 C ARG A 93 -14.894 -5.995 7.692 1.00 0.00 C ATOM 1441 O ARG A 93 -15.934 -5.575 8.196 1.00 0.00 O ATOM 1442 CB ARG A 93 -12.981 -5.944 9.266 1.00 0.00 C ATOM 1443 CG ARG A 93 -11.953 -6.666 10.120 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.605 -7.600 11.128 1.00 0.00 C ATOM 1445 NE ARG A 93 -13.569 -6.901 11.980 1.00 0.00 N ATOM 1446 CZ ARG A 93 -13.257 -5.918 12.829 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -11.988 -5.573 13.037 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -14.219 -5.289 13.484 1.00 0.00 N ATOM 0 H ARG A 93 -12.161 -7.615 7.632 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.470 -7.501 9.176 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.458 -5.297 8.562 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.578 -5.298 9.910 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.284 -7.237 9.477 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.341 -5.934 10.647 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.109 -8.409 10.599 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -11.835 -8.056 11.750 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.547 -7.184 11.921 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.240 -6.061 12.545 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.764 -4.820 13.688 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -15.193 -5.555 13.339 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.987 -4.538 14.134 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.471 -5.640 6.491 1.00 0.00 N ATOM 1463 CA GLY A 94 -15.211 -4.718 5.663 1.00 0.00 C ATOM 1464 C GLY A 94 -14.967 -3.284 6.072 1.00 0.00 C ATOM 1465 O GLY A 94 -15.729 -2.393 5.720 1.00 0.00 O ATOM 0 H GLY A 94 -13.609 -5.984 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.924 -4.853 4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.276 -4.940 5.732 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.851 -3.064 6.752 1.00 0.00 N ATOM 1470 CA GLU A 95 -13.430 -1.727 7.147 1.00 0.00 C ATOM 1471 C GLU A 95 -12.378 -1.165 6.192 1.00 0.00 C ATOM 1472 O GLU A 95 -12.078 0.028 6.218 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.900 -1.728 8.581 1.00 0.00 C ATOM 1474 CG GLU A 95 -13.946 -2.140 9.605 1.00 0.00 C ATOM 1475 CD GLU A 95 -13.447 -2.059 11.032 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -12.286 -1.666 11.247 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -14.228 -2.382 11.951 1.00 0.00 O ATOM 0 H GLU A 95 -13.213 -3.804 7.045 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.306 -1.080 7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.049 -2.406 8.647 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.533 -0.732 8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.823 -1.501 9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.267 -3.161 9.396 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.810 -2.032 5.362 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.773 -1.622 4.417 1.00 0.00 C ATOM 1486 C LEU A 96 -11.403 -0.808 3.318 1.00 0.00 C ATOM 1487 O LEU A 96 -11.101 0.366 3.146 1.00 0.00 O ATOM 1488 CB LEU A 96 -10.066 -2.842 3.826 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.910 -2.522 2.876 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -7.813 -1.758 3.601 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -8.359 -3.796 2.264 1.00 0.00 C ATOM 0 H LEU A 96 -12.048 -3.023 5.323 1.00 0.00 H new ATOM 0 HA LEU A 96 -10.030 -1.021 4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.686 -3.454 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.800 -3.445 3.291 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.290 -1.890 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.001 -1.541 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.217 -0.824 3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.434 -2.361 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.538 -3.551 1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.996 -4.452 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.147 -4.302 1.706 1.00 0.00 H new ATOM 1503 N GLN A 97 -12.419 -1.390 2.726 1.00 0.00 N ATOM 1504 CA GLN A 97 -13.275 -0.696 1.793 1.00 0.00 C ATOM 1505 C GLN A 97 -13.888 0.554 2.413 1.00 0.00 C ATOM 1506 O GLN A 97 -14.222 1.486 1.710 1.00 0.00 O ATOM 1507 CB GLN A 97 -14.380 -1.606 1.247 1.00 0.00 C ATOM 1508 CG GLN A 97 -15.133 -2.450 2.277 1.00 0.00 C ATOM 1509 CD GLN A 97 -14.403 -3.724 2.690 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -13.328 -3.696 3.284 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -14.992 -4.864 2.376 1.00 0.00 N ATOM 0 H GLN A 97 -12.677 -2.365 2.879 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.641 -0.392 0.960 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -15.104 -0.986 0.718 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.938 -2.278 0.511 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -15.315 -1.844 3.165 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -16.107 -2.718 1.869 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -15.885 -4.858 1.882 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -14.554 -5.750 2.627 1.00 0.00 H new ATOM 1520 N GLN A 98 -14.024 0.577 3.728 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.584 1.736 4.414 1.00 0.00 C ATOM 1522 C GLN A 98 -13.623 2.917 4.394 1.00 0.00 C ATOM 1523 O GLN A 98 -13.993 4.026 4.005 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.952 1.373 5.853 1.00 0.00 C ATOM 1525 CG GLN A 98 -16.183 0.488 5.957 1.00 0.00 C ATOM 1526 CD GLN A 98 -17.454 1.190 5.509 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -17.541 1.707 4.395 1.00 0.00 O ATOM 1528 NE2 GLN A 98 -18.461 1.192 6.367 1.00 0.00 N ATOM 0 H GLN A 98 -13.756 -0.191 4.344 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.486 2.035 3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.108 0.864 6.319 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.124 2.289 6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.034 -0.406 5.351 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -16.301 0.157 6.989 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -18.353 0.754 7.282 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -19.346 1.632 6.114 1.00 0.00 H new ATOM 1537 N LEU A 99 -12.384 2.671 4.788 1.00 0.00 N ATOM 1538 CA LEU A 99 -11.373 3.714 4.782 1.00 0.00 C ATOM 1539 C LEU A 99 -10.898 4.022 3.360 1.00 0.00 C ATOM 1540 O LEU A 99 -10.729 5.186 3.001 1.00 0.00 O ATOM 1541 CB LEU A 99 -10.232 3.386 5.767 1.00 0.00 C ATOM 1542 CG LEU A 99 -9.655 1.968 5.714 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.781 1.763 4.494 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -8.875 1.665 6.983 1.00 0.00 C ATOM 0 H LEU A 99 -12.056 1.762 5.115 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.822 4.639 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.419 4.090 5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -10.595 3.567 6.779 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.492 1.274 5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.391 0.745 4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.371 1.927 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.951 2.470 4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.472 0.654 6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.056 2.377 7.086 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.537 1.746 7.845 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.810 2.990 2.521 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.503 3.186 1.108 1.00 0.00 C ATOM 1558 C ILE A 100 -11.615 3.990 0.431 1.00 0.00 C ATOM 1559 O ILE A 100 -11.334 4.865 -0.377 1.00 0.00 O ATOM 1560 CB ILE A 100 -10.305 1.845 0.351 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -9.148 1.032 0.944 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -10.042 2.103 -1.128 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.790 1.691 0.807 1.00 0.00 C ATOM 0 H ILE A 100 -10.946 2.017 2.795 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.562 3.735 1.063 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.223 1.268 0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.348 0.854 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -9.117 0.057 0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.905 1.153 -1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.890 2.633 -1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.142 2.708 -1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.028 1.051 1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.565 1.844 -0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.799 2.653 1.319 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.874 3.673 0.755 1.00 0.00 N ATOM 1576 CA LYS A 101 -14.031 4.342 0.162 1.00 0.00 C ATOM 1577 C LYS A 101 -13.920 5.843 0.289 1.00 0.00 C ATOM 1578 O LYS A 101 -13.993 6.575 -0.697 1.00 0.00 O ATOM 1579 CB LYS A 101 -15.306 3.912 0.881 1.00 0.00 C ATOM 1580 CG LYS A 101 -16.559 4.531 0.308 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.772 4.287 1.196 1.00 0.00 C ATOM 1582 CE LYS A 101 -17.997 2.809 1.479 1.00 0.00 C ATOM 1583 NZ LYS A 101 -18.269 2.030 0.246 1.00 0.00 N ATOM 0 H LYS A 101 -13.116 2.949 1.432 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.063 4.063 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.392 2.826 0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -15.227 4.180 1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.410 5.604 0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -16.746 4.119 -0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -17.641 4.819 2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -18.659 4.701 0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.118 2.400 1.977 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -18.835 2.697 2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.432 1.033 0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -19.113 2.412 -0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -17.453 2.098 -0.395 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.767 6.285 1.521 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.670 7.694 1.821 1.00 0.00 C ATOM 1599 C GLU A 102 -12.515 8.309 1.050 1.00 0.00 C ATOM 1600 O GLU A 102 -12.664 9.376 0.461 1.00 0.00 O ATOM 1601 CB GLU A 102 -13.517 7.886 3.340 1.00 0.00 C ATOM 1602 CG GLU A 102 -13.365 9.335 3.794 1.00 0.00 C ATOM 1603 CD GLU A 102 -11.941 9.866 3.703 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -11.012 9.067 3.477 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -11.743 11.083 3.918 1.00 0.00 O ATOM 0 H GLU A 102 -13.707 5.677 2.338 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.580 8.206 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.387 7.455 3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.647 7.322 3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -14.016 9.965 3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -13.708 9.420 4.825 1.00 0.00 H new ATOM 1612 N THR A 103 -11.363 7.660 1.116 1.00 0.00 N ATOM 1613 CA THR A 103 -10.150 8.169 0.503 1.00 0.00 C ATOM 1614 C THR A 103 -10.191 8.139 -1.025 1.00 0.00 C ATOM 1615 O THR A 103 -9.862 9.129 -1.679 1.00 0.00 O ATOM 1616 CB THR A 103 -8.940 7.388 1.021 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.857 7.544 2.446 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.660 7.870 0.376 1.00 0.00 C ATOM 0 H THR A 103 -11.244 6.768 1.595 1.00 0.00 H new ATOM 0 HA THR A 103 -10.064 9.218 0.787 1.00 0.00 H new ATOM 0 HB THR A 103 -9.068 6.336 0.766 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.581 8.129 2.754 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.818 7.296 0.764 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.724 7.735 -0.704 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.514 8.926 0.602 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.589 7.023 -1.597 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.652 6.905 -3.041 1.00 0.00 C ATOM 1628 C ALA A 104 -11.632 7.921 -3.612 1.00 0.00 C ATOM 1629 O ALA A 104 -11.315 8.648 -4.553 1.00 0.00 O ATOM 1630 CB ALA A 104 -11.055 5.495 -3.442 1.00 0.00 C ATOM 0 H ALA A 104 -10.873 6.186 -1.088 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.662 7.110 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -11.097 5.424 -4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.322 4.785 -3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.035 5.264 -3.025 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.811 7.984 -3.016 1.00 0.00 N ATOM 1637 CA ALA A 105 -13.836 8.917 -3.447 1.00 0.00 C ATOM 1638 C ALA A 105 -13.396 10.372 -3.266 1.00 0.00 C ATOM 1639 O ALA A 105 -13.696 11.212 -4.106 1.00 0.00 O ATOM 1640 CB ALA A 105 -15.141 8.643 -2.719 1.00 0.00 C ATOM 0 H ALA A 105 -13.082 7.396 -2.228 1.00 0.00 H new ATOM 0 HA ALA A 105 -13.997 8.765 -4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -15.900 9.351 -3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.472 7.627 -2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.989 8.754 -1.645 1.00 0.00 H new ATOM 1646 N LYS A 106 -12.712 10.684 -2.164 1.00 0.00 N ATOM 1647 CA LYS A 106 -12.285 12.062 -1.906 1.00 0.00 C ATOM 1648 C LYS A 106 -11.199 12.514 -2.883 1.00 0.00 C ATOM 1649 O LYS A 106 -11.132 13.694 -3.227 1.00 0.00 O ATOM 1650 CB LYS A 106 -11.881 12.286 -0.429 1.00 0.00 C ATOM 1651 CG LYS A 106 -10.750 11.414 0.094 1.00 0.00 C ATOM 1652 CD LYS A 106 -9.373 11.930 -0.277 1.00 0.00 C ATOM 1653 CE LYS A 106 -9.018 13.188 0.495 1.00 0.00 C ATOM 1654 NZ LYS A 106 -8.907 12.914 1.955 1.00 0.00 N ATOM 0 H LYS A 106 -12.444 10.013 -1.444 1.00 0.00 H new ATOM 0 HA LYS A 106 -13.151 12.699 -2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.594 13.330 -0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.759 12.121 0.196 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.825 11.347 1.179 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.869 10.404 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.629 11.159 -0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.338 12.137 -1.347 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.075 13.590 0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.778 13.950 0.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -8.439 13.716 2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.857 12.784 2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.347 12.051 2.105 1.00 0.00 H new ATOM 1668 N TYR A 107 -10.376 11.583 -3.369 1.00 0.00 N ATOM 1669 CA TYR A 107 -9.353 11.950 -4.344 1.00 0.00 C ATOM 1670 C TYR A 107 -9.925 12.106 -5.751 1.00 0.00 C ATOM 1671 O TYR A 107 -9.711 13.137 -6.391 1.00 0.00 O ATOM 1672 CB TYR A 107 -8.170 10.972 -4.356 1.00 0.00 C ATOM 1673 CG TYR A 107 -7.206 11.153 -3.204 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -6.243 12.150 -3.257 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -7.261 10.357 -2.065 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -5.360 12.344 -2.217 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -6.385 10.549 -1.026 1.00 0.00 C ATOM 1678 CZ TYR A 107 -5.435 11.544 -1.103 1.00 0.00 C ATOM 1679 OH TYR A 107 -4.559 11.743 -0.063 1.00 0.00 O ATOM 0 H TYR A 107 -10.396 10.596 -3.111 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.977 12.921 -4.021 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.555 9.953 -4.336 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.625 11.089 -5.293 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.184 12.785 -4.128 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -8.004 9.576 -1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.613 13.121 -2.278 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -6.440 9.921 -0.149 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.306 12.689 -0.025 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.741 11.158 -6.197 1.00 0.00 N ATOM 1690 CA LYS A 108 -11.413 11.324 -7.480 1.00 0.00 C ATOM 1691 C LYS A 108 -12.731 12.071 -7.305 1.00 0.00 C ATOM 1692 O LYS A 108 -12.975 12.682 -6.267 1.00 0.00 O ATOM 1693 CB LYS A 108 -11.631 9.986 -8.205 1.00 0.00 C ATOM 1694 CG LYS A 108 -10.386 9.399 -8.872 1.00 0.00 C ATOM 1695 CD LYS A 108 -9.377 8.892 -7.868 1.00 0.00 C ATOM 1696 CE LYS A 108 -10.012 7.858 -6.969 1.00 0.00 C ATOM 1697 NZ LYS A 108 -10.545 6.692 -7.730 1.00 0.00 N ATOM 0 H LYS A 108 -10.950 10.289 -5.705 1.00 0.00 H new ATOM 0 HA LYS A 108 -10.755 11.921 -8.112 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -12.016 9.261 -7.488 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -12.401 10.123 -8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -10.681 8.582 -9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -9.920 10.160 -9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.523 8.458 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.999 9.722 -7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.276 7.510 -6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.821 8.320 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.800 5.932 -7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -11.389 6.983 -8.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.819 6.347 -8.390 1.00 0.00 H new ATOM 1711 N SER A 109 -13.602 11.940 -8.285 1.00 0.00 N ATOM 1712 CA SER A 109 -14.940 12.496 -8.212 1.00 0.00 C ATOM 1713 C SER A 109 -15.867 11.528 -7.483 1.00 0.00 C ATOM 1714 O SER A 109 -15.462 10.860 -6.529 1.00 0.00 O ATOM 1715 CB SER A 109 -15.436 12.807 -9.630 1.00 0.00 C ATOM 1716 OG SER A 109 -15.411 11.649 -10.449 1.00 0.00 O ATOM 0 H SER A 109 -13.403 11.445 -9.155 1.00 0.00 H new ATOM 0 HA SER A 109 -14.930 13.427 -7.645 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.451 13.201 -9.584 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.812 13.583 -10.074 1.00 0.00 H new ATOM 0 HG SER A 109 -15.734 11.876 -11.346 1.00 0.00 H new ATOM 1722 N GLU A 110 -17.081 11.412 -7.979 1.00 0.00 N ATOM 1723 CA GLU A 110 -18.073 10.476 -7.448 1.00 0.00 C ATOM 1724 C GLU A 110 -17.741 9.019 -7.811 1.00 0.00 C ATOM 1725 O GLU A 110 -18.616 8.257 -8.234 1.00 0.00 O ATOM 1726 CB GLU A 110 -19.459 10.850 -7.978 1.00 0.00 C ATOM 1727 CG GLU A 110 -19.521 10.925 -9.495 1.00 0.00 C ATOM 1728 CD GLU A 110 -20.902 11.257 -10.010 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -21.438 12.328 -9.657 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -21.456 10.449 -10.782 1.00 0.00 O ATOM 0 H GLU A 110 -17.418 11.964 -8.767 1.00 0.00 H new ATOM 0 HA GLU A 110 -18.059 10.549 -6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -20.185 10.116 -7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -19.752 11.813 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -18.817 11.679 -9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -19.202 9.971 -9.915 1.00 0.00 H new ATOM 1737 N GLU A 111 -16.483 8.641 -7.642 1.00 0.00 N ATOM 1738 CA GLU A 111 -16.034 7.288 -7.943 1.00 0.00 C ATOM 1739 C GLU A 111 -16.577 6.284 -6.931 1.00 0.00 C ATOM 1740 O GLU A 111 -16.500 6.499 -5.719 1.00 0.00 O ATOM 1741 CB GLU A 111 -14.505 7.244 -7.990 1.00 0.00 C ATOM 1742 CG GLU A 111 -13.926 8.025 -9.159 1.00 0.00 C ATOM 1743 CD GLU A 111 -14.343 7.471 -10.508 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -15.548 7.471 -10.819 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -13.454 7.025 -11.264 1.00 0.00 O ATOM 0 H GLU A 111 -15.748 9.258 -7.295 1.00 0.00 H new ATOM 0 HA GLU A 111 -16.424 7.006 -8.921 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -14.106 7.645 -7.058 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.178 6.206 -8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.243 9.065 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.838 8.018 -9.090 1.00 0.00 H new ATOM 1752 N PRO A 112 -17.161 5.181 -7.419 1.00 0.00 N ATOM 1753 CA PRO A 112 -17.737 4.154 -6.570 1.00 0.00 C ATOM 1754 C PRO A 112 -16.690 3.169 -6.061 1.00 0.00 C ATOM 1755 O PRO A 112 -16.113 2.401 -6.833 1.00 0.00 O ATOM 1756 CB PRO A 112 -18.746 3.444 -7.486 1.00 0.00 C ATOM 1757 CG PRO A 112 -18.620 4.095 -8.835 1.00 0.00 C ATOM 1758 CD PRO A 112 -17.324 4.852 -8.830 1.00 0.00 C ATOM 0 HA PRO A 112 -18.189 4.578 -5.673 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -18.532 2.377 -7.547 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -19.760 3.544 -7.099 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -18.628 3.347 -9.628 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.459 4.766 -9.021 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -16.498 4.247 -9.204 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.373 5.745 -9.453 1.00 0.00 H new ATOM 1766 N ASP A 113 -16.511 3.151 -4.751 1.00 0.00 N ATOM 1767 CA ASP A 113 -15.606 2.221 -4.101 1.00 0.00 C ATOM 1768 C ASP A 113 -16.333 0.895 -3.880 1.00 0.00 C ATOM 1769 O ASP A 113 -16.841 0.292 -4.827 1.00 0.00 O ATOM 1770 CB ASP A 113 -15.092 2.859 -2.796 1.00 0.00 C ATOM 1771 CG ASP A 113 -13.973 2.086 -2.112 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -14.257 1.066 -1.456 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -12.810 2.494 -2.252 1.00 0.00 O ATOM 0 H ASP A 113 -16.990 3.782 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.734 2.008 -4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.739 3.867 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.926 2.956 -2.101 1.00 0.00 H new