USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1013 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 57 THR OG1 : rot -44:sc= 0.00269 USER MOD Set 1.2: A 70 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.082) USER MOD Set 2.1: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 53 MET CE :methyl -143:sc= -0.949 (180deg=-2.52) USER MOD Set 3.1: A 35 ASN : amide:sc= -1.2 K(o=-1.2,f=-3.2!) USER MOD Set 3.2: A 41 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 14 LYS NZ :NH3+ 160:sc= 0.932 (180deg=0.742) USER MOD Set 4.2: A 61 MET CE :methyl -179:sc= -1.9 (180deg=-1.8) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.116 K(o=-0.12,f=-2.5!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00986) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -104:sc= 1.16 USER MOD Single : A 30 ASN : amide:sc= -0.0226 K(o=-0.023,f=-1.1) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.74! C(o=-1.7!,f=-3.8!) USER MOD Single : A 48 THR OG1 : rot -139:sc= 0 USER MOD Single : A 56 SER OG : rot -73:sc= 0.115 USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0.888 (180deg=0.839) USER MOD Single : A 60 ASN : amide:sc= -0.0521 K(o=-0.052,f=-0.84) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.513 F(o=-2.6!,f=-0.51) USER MOD Single : A 69 HIS : no HD1:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.0139 K(o=-0.014,f=-1) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0.013) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0.672 K(o=0.67,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.467 K(o=-0.47,f=-1.2) USER MOD Single : A 95 HIS : no HD1:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 158:sc= 0.108 USER MOD Single : A 101 THR OG1 : rot 95:sc= 1.27 USER MOD Single : A 104 ASN : amide:sc= 0.0159 K(o=0.016,f=-3.7!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 95:sc= 1.29 USER MOD Single : A 116 THR OG1 : rot 74:sc= 1.26 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= 0.325 K(o=0.32,f=-2.2!) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl -170:sc= -0.13 (180deg=-0.469) USER MOD ----------------------------------------------------------------- ATOM 113 N LEU A 8 2.440 6.870 10.202 1.00 0.00 N ATOM 114 CA LEU A 8 1.851 6.894 8.882 1.00 0.00 C ATOM 115 C LEU A 8 1.807 8.320 8.328 1.00 0.00 C ATOM 116 O LEU A 8 0.942 9.135 8.655 1.00 0.00 O ATOM 117 CB LEU A 8 0.556 6.077 8.921 1.00 0.00 C ATOM 118 CG LEU A 8 -0.211 5.893 7.608 1.00 0.00 C ATOM 119 CD1 LEU A 8 -1.111 7.099 7.368 1.00 0.00 C ATOM 120 CD2 LEU A 8 0.690 5.622 6.401 1.00 0.00 C ATOM 0 HA LEU A 8 2.461 6.395 8.129 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.796 5.088 9.311 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.116 6.548 9.638 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.820 4.996 7.717 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.656 6.966 6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.820 7.194 8.191 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.502 8.001 7.308 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.076 5.503 5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.374 6.459 6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.263 4.711 6.572 1.00 0.00 H new ATOM 132 N SER A 9 2.809 8.630 7.511 1.00 0.00 N ATOM 133 CA SER A 9 2.994 9.893 6.823 1.00 0.00 C ATOM 134 C SER A 9 1.977 10.060 5.694 1.00 0.00 C ATOM 135 O SER A 9 1.516 11.182 5.454 1.00 0.00 O ATOM 136 CB SER A 9 4.405 9.922 6.218 1.00 0.00 C ATOM 137 OG SER A 9 5.395 9.554 7.163 1.00 0.00 O ATOM 0 H SER A 9 3.554 7.965 7.303 1.00 0.00 H new ATOM 0 HA SER A 9 2.857 10.702 7.540 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.448 9.244 5.365 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.617 10.922 5.841 1.00 0.00 H new ATOM 0 HG SER A 9 6.278 9.583 6.740 1.00 0.00 H new ATOM 143 N LEU A 10 1.678 8.976 4.966 1.00 0.00 N ATOM 144 CA LEU A 10 0.862 9.030 3.758 1.00 0.00 C ATOM 145 C LEU A 10 -0.591 9.374 4.070 1.00 0.00 C ATOM 146 O LEU A 10 -1.179 8.775 4.959 1.00 0.00 O ATOM 147 CB LEU A 10 0.953 7.723 2.948 1.00 0.00 C ATOM 148 CG LEU A 10 2.265 7.429 2.182 1.00 0.00 C ATOM 149 CD1 LEU A 10 2.058 6.338 1.123 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.829 8.674 1.479 1.00 0.00 C ATOM 0 H LEU A 10 1.999 8.037 5.203 1.00 0.00 H new ATOM 0 HA LEU A 10 1.268 9.832 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.774 6.894 3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.137 7.722 2.225 1.00 0.00 H new ATOM 0 HG LEU A 10 2.977 7.095 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.997 6.154 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.725 5.420 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.304 6.664 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.749 8.412 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.099 9.049 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.039 9.446 2.219 1.00 0.00 H new ATOM 162 N ASN A 11 -1.218 10.297 3.331 1.00 0.00 N ATOM 163 CA ASN A 11 -2.585 10.749 3.627 1.00 0.00 C ATOM 164 C ASN A 11 -3.625 9.726 3.150 1.00 0.00 C ATOM 165 O ASN A 11 -4.444 9.993 2.267 1.00 0.00 O ATOM 166 CB ASN A 11 -2.867 12.153 3.064 1.00 0.00 C ATOM 167 CG ASN A 11 -4.061 12.804 3.774 1.00 0.00 C ATOM 168 OD1 ASN A 11 -5.008 12.141 4.204 1.00 0.00 O ATOM 169 ND2 ASN A 11 -4.022 14.113 3.955 1.00 0.00 N ATOM 0 H ASN A 11 -0.798 10.749 2.518 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.670 10.825 4.711 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.983 12.780 3.183 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.068 12.086 1.995 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.779 14.582 4.453 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.235 14.654 3.596 1.00 0.00 H new ATOM 176 N PHE A 12 -3.586 8.520 3.705 1.00 0.00 N ATOM 177 CA PHE A 12 -4.497 7.440 3.383 1.00 0.00 C ATOM 178 C PHE A 12 -5.938 7.794 3.726 1.00 0.00 C ATOM 179 O PHE A 12 -6.832 7.328 3.029 1.00 0.00 O ATOM 180 CB PHE A 12 -4.042 6.164 4.095 1.00 0.00 C ATOM 181 CG PHE A 12 -2.953 5.425 3.348 1.00 0.00 C ATOM 182 CD1 PHE A 12 -3.267 4.752 2.156 1.00 0.00 C ATOM 183 CD2 PHE A 12 -1.626 5.442 3.806 1.00 0.00 C ATOM 184 CE1 PHE A 12 -2.254 4.124 1.414 1.00 0.00 C ATOM 185 CE2 PHE A 12 -0.617 4.776 3.084 1.00 0.00 C ATOM 186 CZ PHE A 12 -0.929 4.129 1.881 1.00 0.00 C ATOM 0 H PHE A 12 -2.897 8.264 4.412 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.473 7.270 2.307 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.682 6.420 5.092 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.898 5.502 4.225 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.289 4.717 1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.378 5.968 4.716 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.494 3.635 0.481 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.396 4.764 3.457 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.153 3.636 1.314 1.00 0.00 H new ATOM 196 N GLY A 13 -6.188 8.634 4.735 1.00 0.00 N ATOM 197 CA GLY A 13 -7.539 8.946 5.182 1.00 0.00 C ATOM 198 C GLY A 13 -8.405 9.508 4.059 1.00 0.00 C ATOM 199 O GLY A 13 -9.449 8.933 3.741 1.00 0.00 O ATOM 0 H GLY A 13 -5.457 9.114 5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.005 8.045 5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.492 9.668 5.997 1.00 0.00 H new ATOM 203 N LYS A 14 -7.976 10.609 3.437 1.00 0.00 N ATOM 204 CA LYS A 14 -8.715 11.237 2.338 1.00 0.00 C ATOM 205 C LYS A 14 -8.796 10.316 1.133 1.00 0.00 C ATOM 206 O LYS A 14 -9.854 10.196 0.522 1.00 0.00 O ATOM 207 CB LYS A 14 -8.025 12.547 1.924 1.00 0.00 C ATOM 208 CG LYS A 14 -8.926 13.773 2.095 1.00 0.00 C ATOM 209 CD LYS A 14 -9.878 13.956 0.905 1.00 0.00 C ATOM 210 CE LYS A 14 -9.198 14.671 -0.275 1.00 0.00 C ATOM 211 NZ LYS A 14 -10.042 14.662 -1.491 1.00 0.00 N ATOM 0 H LYS A 14 -7.109 11.089 3.680 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.726 11.442 2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.122 12.680 2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.713 12.474 0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.507 13.671 3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.309 14.664 2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.240 12.981 0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.749 14.529 1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.976 15.701 0.005 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.245 14.187 -0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.728 15.414 -2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.958 13.740 -1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.034 14.826 -1.226 1.00 0.00 H new ATOM 225 N ALA A 15 -7.674 9.694 0.779 1.00 0.00 N ATOM 226 CA ALA A 15 -7.588 8.817 -0.372 1.00 0.00 C ATOM 227 C ALA A 15 -8.608 7.674 -0.222 1.00 0.00 C ATOM 228 O ALA A 15 -9.401 7.423 -1.132 1.00 0.00 O ATOM 229 CB ALA A 15 -6.150 8.295 -0.470 1.00 0.00 C ATOM 0 H ALA A 15 -6.796 9.789 1.290 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.828 9.349 -1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.062 7.632 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.465 9.135 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.899 7.747 0.438 1.00 0.00 H new ATOM 235 N LEU A 16 -8.620 6.974 0.919 1.00 0.00 N ATOM 236 CA LEU A 16 -9.572 5.901 1.220 1.00 0.00 C ATOM 237 C LEU A 16 -10.995 6.440 1.167 1.00 0.00 C ATOM 238 O LEU A 16 -11.862 5.780 0.604 1.00 0.00 O ATOM 239 CB LEU A 16 -9.330 5.313 2.624 1.00 0.00 C ATOM 240 CG LEU A 16 -8.139 4.345 2.703 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.714 4.133 4.153 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.485 2.955 2.164 1.00 0.00 C ATOM 0 H LEU A 16 -7.954 7.142 1.673 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.430 5.118 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.166 6.131 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.231 4.791 2.948 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.350 4.801 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.870 3.445 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.422 5.088 4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.547 3.715 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.612 2.307 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.303 2.532 2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.787 3.034 1.120 1.00 0.00 H new ATOM 254 N ASP A 17 -11.228 7.636 1.714 1.00 0.00 N ATOM 255 CA ASP A 17 -12.523 8.315 1.693 1.00 0.00 C ATOM 256 C ASP A 17 -13.009 8.612 0.273 1.00 0.00 C ATOM 257 O ASP A 17 -14.209 8.771 0.070 1.00 0.00 O ATOM 258 CB ASP A 17 -12.454 9.612 2.506 1.00 0.00 C ATOM 259 CG ASP A 17 -13.837 10.217 2.715 1.00 0.00 C ATOM 260 OD1 ASP A 17 -14.586 9.691 3.570 1.00 0.00 O ATOM 261 OD2 ASP A 17 -14.134 11.257 2.082 1.00 0.00 O ATOM 0 H ASP A 17 -10.504 8.170 2.194 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.246 7.636 2.145 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.994 9.412 3.474 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.816 10.331 1.992 1.00 0.00 H new ATOM 266 N GLU A 18 -12.120 8.635 -0.726 1.00 0.00 N ATOM 267 CA GLU A 18 -12.514 8.609 -2.127 1.00 0.00 C ATOM 268 C GLU A 18 -12.729 7.179 -2.600 1.00 0.00 C ATOM 269 O GLU A 18 -13.794 6.900 -3.143 1.00 0.00 O ATOM 270 CB GLU A 18 -11.493 9.322 -3.024 1.00 0.00 C ATOM 271 CG GLU A 18 -11.439 10.822 -2.759 1.00 0.00 C ATOM 272 CD GLU A 18 -10.637 11.618 -3.789 1.00 0.00 C ATOM 273 OE1 GLU A 18 -10.414 11.136 -4.928 1.00 0.00 O ATOM 274 OE2 GLU A 18 -10.252 12.759 -3.441 1.00 0.00 O ATOM 0 H GLU A 18 -11.111 8.672 -0.580 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.456 9.151 -2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.505 8.891 -2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.748 9.149 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.457 11.210 -2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.007 10.989 -1.772 1.00 0.00 H new ATOM 281 N CYS A 19 -11.762 6.271 -2.432 1.00 0.00 N ATOM 282 CA CYS A 19 -11.831 4.907 -2.962 1.00 0.00 C ATOM 283 C CYS A 19 -13.064 4.141 -2.465 1.00 0.00 C ATOM 284 O CYS A 19 -13.688 3.409 -3.236 1.00 0.00 O ATOM 285 CB CYS A 19 -10.527 4.164 -2.653 1.00 0.00 C ATOM 286 SG CYS A 19 -9.354 4.210 -4.038 1.00 0.00 S ATOM 0 H CYS A 19 -10.902 6.465 -1.919 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.946 4.972 -4.044 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -10.061 4.606 -1.772 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.753 3.126 -2.407 1.00 0.00 H new ATOM 291 N LYS A 20 -13.488 4.370 -1.217 1.00 0.00 N ATOM 292 CA LYS A 20 -14.743 3.841 -0.682 1.00 0.00 C ATOM 293 C LYS A 20 -15.943 4.272 -1.516 1.00 0.00 C ATOM 294 O LYS A 20 -16.924 3.531 -1.551 1.00 0.00 O ATOM 295 CB LYS A 20 -14.902 4.211 0.808 1.00 0.00 C ATOM 296 CG LYS A 20 -15.029 5.717 1.093 1.00 0.00 C ATOM 297 CD LYS A 20 -16.456 6.279 1.147 1.00 0.00 C ATOM 298 CE LYS A 20 -17.039 6.120 2.556 1.00 0.00 C ATOM 299 NZ LYS A 20 -18.504 5.942 2.580 1.00 0.00 N ATOM 0 H LYS A 20 -12.964 4.932 -0.546 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.702 2.754 -0.746 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.785 3.706 1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.044 3.824 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.542 5.928 2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.476 6.259 0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.450 7.332 0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.086 5.760 0.425 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.571 5.262 3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.780 6.998 3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.825 5.841 3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.962 6.771 2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.759 5.088 2.044 1.00 0.00 H new ATOM 313 N LYS A 21 -15.903 5.443 -2.167 1.00 0.00 N ATOM 314 CA LYS A 21 -16.944 5.904 -3.073 1.00 0.00 C ATOM 315 C LYS A 21 -16.681 5.442 -4.505 1.00 0.00 C ATOM 316 O LYS A 21 -17.626 5.289 -5.272 1.00 0.00 O ATOM 317 CB LYS A 21 -17.038 7.436 -3.119 1.00 0.00 C ATOM 318 CG LYS A 21 -16.960 8.141 -1.767 1.00 0.00 C ATOM 319 CD LYS A 21 -17.098 9.655 -1.950 1.00 0.00 C ATOM 320 CE LYS A 21 -17.030 10.372 -0.601 1.00 0.00 C ATOM 321 NZ LYS A 21 -18.242 10.167 0.213 1.00 0.00 N ATOM 0 H LYS A 21 -15.130 6.102 -2.072 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.871 5.480 -2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.235 7.813 -3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.978 7.711 -3.598 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.749 7.773 -1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.011 7.911 -1.283 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.305 10.021 -2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -18.044 9.882 -2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.161 10.016 -0.048 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.886 11.439 -0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.173 10.728 1.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -19.078 10.469 -0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.331 9.160 0.455 1.00 0.00 H new ATOM 335 N GLU A 22 -15.414 5.295 -4.911 1.00 0.00 N ATOM 336 CA GLU A 22 -15.060 4.931 -6.285 1.00 0.00 C ATOM 337 C GLU A 22 -15.545 3.518 -6.567 1.00 0.00 C ATOM 338 O GLU A 22 -16.170 3.276 -7.600 1.00 0.00 O ATOM 339 CB GLU A 22 -13.552 5.041 -6.565 1.00 0.00 C ATOM 340 CG GLU A 22 -13.060 6.487 -6.443 1.00 0.00 C ATOM 341 CD GLU A 22 -11.608 6.699 -6.851 1.00 0.00 C ATOM 342 OE1 GLU A 22 -10.743 5.863 -6.534 1.00 0.00 O ATOM 343 OE2 GLU A 22 -11.299 7.777 -7.416 1.00 0.00 O ATOM 0 H GLU A 22 -14.609 5.425 -4.298 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.550 5.642 -6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.004 4.409 -5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.339 4.667 -7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.694 7.126 -7.058 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.185 6.814 -5.411 1.00 0.00 H new ATOM 350 N MET A 23 -15.307 2.594 -5.635 1.00 0.00 N ATOM 351 CA MET A 23 -15.742 1.215 -5.777 1.00 0.00 C ATOM 352 C MET A 23 -17.116 0.994 -5.142 1.00 0.00 C ATOM 353 O MET A 23 -17.703 -0.063 -5.363 1.00 0.00 O ATOM 354 CB MET A 23 -14.755 0.242 -5.121 1.00 0.00 C ATOM 355 CG MET A 23 -13.280 0.643 -5.067 1.00 0.00 C ATOM 356 SD MET A 23 -12.123 -0.645 -5.608 1.00 0.00 S ATOM 357 CE MET A 23 -11.997 -0.223 -7.369 1.00 0.00 C ATOM 0 H MET A 23 -14.809 2.785 -4.766 1.00 0.00 H new ATOM 0 HA MET A 23 -15.793 1.021 -6.848 1.00 0.00 H new ATOM 0 HB2 MET A 23 -15.090 0.065 -4.099 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.823 -0.709 -5.649 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.135 1.527 -5.688 1.00 0.00 H new ATOM 0 HG3 MET A 23 -13.032 0.928 -4.045 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.319 -0.919 -7.862 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.983 -0.288 -7.830 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.614 0.792 -7.473 1.00 0.00 H new ATOM 367 N THR A 24 -17.607 1.944 -4.340 1.00 0.00 N ATOM 368 CA THR A 24 -18.764 1.770 -3.472 1.00 0.00 C ATOM 369 C THR A 24 -18.587 0.479 -2.643 1.00 0.00 C ATOM 370 O THR A 24 -19.226 -0.551 -2.873 1.00 0.00 O ATOM 371 CB THR A 24 -20.041 1.948 -4.310 1.00 0.00 C ATOM 372 OG1 THR A 24 -20.016 3.253 -4.860 1.00 0.00 O ATOM 373 CG2 THR A 24 -21.311 1.848 -3.479 1.00 0.00 C ATOM 0 H THR A 24 -17.197 2.876 -4.279 1.00 0.00 H new ATOM 0 HA THR A 24 -18.864 2.535 -2.702 1.00 0.00 H new ATOM 0 HB THR A 24 -20.055 1.158 -5.061 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.820 3.395 -5.402 1.00 0.00 H new ATOM 0 HG21 THR A 24 -22.179 1.982 -4.124 1.00 0.00 H new ATOM 0 HG22 THR A 24 -21.359 0.868 -3.004 1.00 0.00 H new ATOM 0 HG23 THR A 24 -21.306 2.623 -2.712 1.00 0.00 H new ATOM 381 N LEU A 25 -17.624 0.560 -1.713 1.00 0.00 N ATOM 382 CA LEU A 25 -17.199 -0.487 -0.774 1.00 0.00 C ATOM 383 C LEU A 25 -18.108 -0.496 0.467 1.00 0.00 C ATOM 384 O LEU A 25 -19.059 0.285 0.558 1.00 0.00 O ATOM 385 CB LEU A 25 -15.752 -0.219 -0.292 1.00 0.00 C ATOM 386 CG LEU A 25 -14.627 -0.142 -1.337 1.00 0.00 C ATOM 387 CD1 LEU A 25 -13.342 0.300 -0.624 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.391 -1.497 -2.013 1.00 0.00 C ATOM 0 H LEU A 25 -17.085 1.417 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.258 -1.443 -1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.756 0.722 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.490 -1.003 0.418 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.913 0.570 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.528 0.362 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.497 1.277 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.087 -0.425 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.589 -1.404 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.112 -2.235 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.304 -1.818 -2.514 1.00 0.00 H new ATOM 400 N THR A 26 -17.760 -1.325 1.456 1.00 0.00 N ATOM 401 CA THR A 26 -18.108 -1.156 2.864 1.00 0.00 C ATOM 402 C THR A 26 -17.411 0.101 3.435 1.00 0.00 C ATOM 403 O THR A 26 -16.695 0.811 2.721 1.00 0.00 O ATOM 404 CB THR A 26 -17.727 -2.444 3.636 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.557 -3.073 3.135 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.866 -3.464 3.572 1.00 0.00 C ATOM 0 H THR A 26 -17.206 -2.165 1.287 1.00 0.00 H new ATOM 0 HA THR A 26 -19.181 -1.002 2.975 1.00 0.00 H new ATOM 0 HB THR A 26 -17.536 -2.125 4.661 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.809 -3.860 2.608 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.581 -4.362 4.119 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.763 -3.036 4.019 1.00 0.00 H new ATOM 0 HG23 THR A 26 -19.066 -3.721 2.532 1.00 0.00 H new ATOM 414 N ASP A 27 -17.633 0.441 4.712 1.00 0.00 N ATOM 415 CA ASP A 27 -16.985 1.591 5.369 1.00 0.00 C ATOM 416 C ASP A 27 -15.935 1.163 6.384 1.00 0.00 C ATOM 417 O ASP A 27 -15.030 1.935 6.701 1.00 0.00 O ATOM 418 CB ASP A 27 -18.019 2.483 6.057 1.00 0.00 C ATOM 419 CG ASP A 27 -17.481 3.907 6.210 1.00 0.00 C ATOM 420 OD1 ASP A 27 -17.174 4.516 5.156 1.00 0.00 O ATOM 421 OD2 ASP A 27 -17.397 4.427 7.348 1.00 0.00 O ATOM 0 H ASP A 27 -18.268 -0.073 5.322 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.485 2.153 4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.941 2.497 5.475 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.266 2.074 7.037 1.00 0.00 H new ATOM 426 N ALA A 28 -16.023 -0.098 6.820 1.00 0.00 N ATOM 427 CA ALA A 28 -15.052 -0.764 7.679 1.00 0.00 C ATOM 428 C ALA A 28 -13.615 -0.513 7.227 1.00 0.00 C ATOM 429 O ALA A 28 -12.748 -0.338 8.076 1.00 0.00 O ATOM 430 CB ALA A 28 -15.322 -2.269 7.688 1.00 0.00 C ATOM 0 H ALA A 28 -16.806 -0.702 6.571 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.164 -0.350 8.681 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.595 -2.765 8.331 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.327 -2.456 8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.236 -2.660 6.674 1.00 0.00 H new ATOM 436 N ILE A 29 -13.384 -0.462 5.911 1.00 0.00 N ATOM 437 CA ILE A 29 -12.137 -0.176 5.200 1.00 0.00 C ATOM 438 C ILE A 29 -11.304 0.930 5.853 1.00 0.00 C ATOM 439 O ILE A 29 -10.077 0.833 5.861 1.00 0.00 O ATOM 440 CB ILE A 29 -12.450 0.016 3.693 1.00 0.00 C ATOM 441 CG1 ILE A 29 -13.128 1.362 3.363 1.00 0.00 C ATOM 442 CG2 ILE A 29 -13.320 -1.137 3.155 1.00 0.00 C ATOM 443 CD1 ILE A 29 -12.060 2.410 3.067 1.00 0.00 C ATOM 0 H ILE A 29 -14.143 -0.638 5.253 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.467 -1.032 5.278 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.479 0.015 3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.789 1.248 2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.747 1.684 4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.524 -0.976 2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.792 -2.082 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -14.261 -1.170 3.704 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.538 3.361 2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.418 2.531 3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.460 2.088 2.216 1.00 0.00 H new ATOM 455 N ASN A 30 -11.936 1.958 6.425 1.00 0.00 N ATOM 456 CA ASN A 30 -11.216 3.100 6.986 1.00 0.00 C ATOM 457 C ASN A 30 -10.494 2.763 8.293 1.00 0.00 C ATOM 458 O ASN A 30 -9.623 3.510 8.739 1.00 0.00 O ATOM 459 CB ASN A 30 -12.199 4.241 7.219 1.00 0.00 C ATOM 460 CG ASN A 30 -11.546 5.617 7.130 1.00 0.00 C ATOM 461 OD1 ASN A 30 -10.358 5.791 6.871 1.00 0.00 O ATOM 462 ND2 ASN A 30 -12.322 6.653 7.381 1.00 0.00 N ATOM 0 H ASN A 30 -12.950 2.021 6.511 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.449 3.391 6.268 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.002 4.178 6.484 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.656 4.125 8.202 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.935 7.597 7.360 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.309 6.511 7.596 1.00 0.00 H new ATOM 469 N GLU A 31 -10.858 1.644 8.913 1.00 0.00 N ATOM 470 CA GLU A 31 -9.993 0.917 9.833 1.00 0.00 C ATOM 471 C GLU A 31 -9.318 -0.239 9.099 1.00 0.00 C ATOM 472 O GLU A 31 -8.098 -0.343 9.147 1.00 0.00 O ATOM 473 CB GLU A 31 -10.765 0.366 11.039 1.00 0.00 C ATOM 474 CG GLU A 31 -11.125 1.435 12.075 1.00 0.00 C ATOM 475 CD GLU A 31 -11.086 0.847 13.489 1.00 0.00 C ATOM 476 OE1 GLU A 31 -12.060 0.178 13.905 1.00 0.00 O ATOM 477 OE2 GLU A 31 -10.071 1.085 14.191 1.00 0.00 O ATOM 0 H GLU A 31 -11.774 1.212 8.788 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.247 1.620 10.204 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.680 -0.111 10.687 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.167 -0.408 11.520 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.427 2.269 12.003 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.119 1.831 11.867 1.00 0.00 H new ATOM 484 N ASP A 32 -10.096 -1.106 8.440 1.00 0.00 N ATOM 485 CA ASP A 32 -9.713 -2.453 7.998 1.00 0.00 C ATOM 486 C ASP A 32 -8.425 -2.446 7.168 1.00 0.00 C ATOM 487 O ASP A 32 -7.609 -3.360 7.268 1.00 0.00 O ATOM 488 CB ASP A 32 -10.866 -3.127 7.227 1.00 0.00 C ATOM 489 CG ASP A 32 -11.087 -4.585 7.634 1.00 0.00 C ATOM 490 OD1 ASP A 32 -11.467 -4.828 8.802 1.00 0.00 O ATOM 491 OD2 ASP A 32 -11.036 -5.500 6.784 1.00 0.00 O ATOM 0 H ASP A 32 -11.057 -0.876 8.188 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.510 -3.039 8.894 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.785 -2.566 7.395 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.656 -3.082 6.158 1.00 0.00 H new ATOM 496 N PHE A 33 -8.213 -1.375 6.394 1.00 0.00 N ATOM 497 CA PHE A 33 -7.019 -1.143 5.595 1.00 0.00 C ATOM 498 C PHE A 33 -5.763 -1.043 6.459 1.00 0.00 C ATOM 499 O PHE A 33 -4.778 -1.732 6.195 1.00 0.00 O ATOM 500 CB PHE A 33 -7.205 0.146 4.787 1.00 0.00 C ATOM 501 CG PHE A 33 -5.986 0.500 3.954 1.00 0.00 C ATOM 502 CD1 PHE A 33 -5.730 -0.178 2.749 1.00 0.00 C ATOM 503 CD2 PHE A 33 -5.074 1.470 4.414 1.00 0.00 C ATOM 504 CE1 PHE A 33 -4.586 0.132 1.992 1.00 0.00 C ATOM 505 CE2 PHE A 33 -3.928 1.774 3.661 1.00 0.00 C ATOM 506 CZ PHE A 33 -3.677 1.098 2.455 1.00 0.00 C ATOM 0 H PHE A 33 -8.897 -0.623 6.309 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.883 -1.993 4.927 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.068 0.036 4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.425 0.968 5.468 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.414 -0.939 2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.256 1.981 5.348 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.406 -0.373 1.054 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.239 2.529 4.010 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.787 1.321 1.885 1.00 0.00 H new ATOM 516 N TYR A 34 -5.784 -0.166 7.460 1.00 0.00 N ATOM 517 CA TYR A 34 -4.700 0.012 8.421 1.00 0.00 C ATOM 518 C TYR A 34 -4.582 -1.265 9.257 1.00 0.00 C ATOM 519 O TYR A 34 -3.490 -1.762 9.529 1.00 0.00 O ATOM 520 CB TYR A 34 -5.005 1.204 9.343 1.00 0.00 C ATOM 521 CG TYR A 34 -5.214 2.536 8.640 1.00 0.00 C ATOM 522 CD1 TYR A 34 -6.462 2.827 8.055 1.00 0.00 C ATOM 523 CD2 TYR A 34 -4.177 3.490 8.579 1.00 0.00 C ATOM 524 CE1 TYR A 34 -6.676 4.047 7.392 1.00 0.00 C ATOM 525 CE2 TYR A 34 -4.389 4.723 7.936 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.642 5.008 7.349 1.00 0.00 C ATOM 527 OH TYR A 34 -5.857 6.226 6.788 1.00 0.00 O ATOM 0 H TYR A 34 -6.575 0.455 7.629 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.766 0.208 7.894 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.899 0.974 9.922 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.185 1.312 10.053 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.263 2.105 8.117 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.218 3.273 9.027 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.625 4.249 6.918 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.594 5.452 7.891 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.038 6.762 6.846 1.00 0.00 H new ATOM 537 N ASN A 35 -5.731 -1.817 9.653 1.00 0.00 N ATOM 538 CA ASN A 35 -5.822 -3.001 10.491 1.00 0.00 C ATOM 539 C ASN A 35 -5.143 -4.195 9.846 1.00 0.00 C ATOM 540 O ASN A 35 -4.631 -5.025 10.589 1.00 0.00 O ATOM 541 CB ASN A 35 -7.269 -3.376 10.825 1.00 0.00 C ATOM 542 CG ASN A 35 -7.965 -2.389 11.753 1.00 0.00 C ATOM 543 OD1 ASN A 35 -7.452 -1.317 12.058 1.00 0.00 O ATOM 544 ND2 ASN A 35 -9.113 -2.760 12.279 1.00 0.00 N ATOM 0 H ASN A 35 -6.642 -1.440 9.391 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.308 -2.744 11.417 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.838 -3.451 9.898 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.281 -4.363 11.287 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.587 -2.154 12.949 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.529 -3.654 12.017 1.00 0.00 H new ATOM 551 N PHE A 36 -5.072 -4.265 8.509 1.00 0.00 N ATOM 552 CA PHE A 36 -4.361 -5.308 7.772 1.00 0.00 C ATOM 553 C PHE A 36 -2.971 -5.558 8.363 1.00 0.00 C ATOM 554 O PHE A 36 -2.506 -6.695 8.428 1.00 0.00 O ATOM 555 CB PHE A 36 -4.236 -4.916 6.292 1.00 0.00 C ATOM 556 CG PHE A 36 -3.650 -5.954 5.336 1.00 0.00 C ATOM 557 CD1 PHE A 36 -3.759 -7.343 5.565 1.00 0.00 C ATOM 558 CD2 PHE A 36 -3.005 -5.511 4.165 1.00 0.00 C ATOM 559 CE1 PHE A 36 -3.271 -8.267 4.623 1.00 0.00 C ATOM 560 CE2 PHE A 36 -2.496 -6.435 3.234 1.00 0.00 C ATOM 561 CZ PHE A 36 -2.646 -7.814 3.450 1.00 0.00 C ATOM 0 H PHE A 36 -5.519 -3.580 7.900 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.937 -6.230 7.856 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.228 -4.647 5.930 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.621 -4.018 6.232 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.222 -7.700 6.473 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.900 -4.452 3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.377 -9.327 4.802 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.988 -6.082 2.349 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.283 -8.522 2.719 1.00 0.00 H new ATOM 571 N TRP A 37 -2.306 -4.491 8.803 1.00 0.00 N ATOM 572 CA TRP A 37 -0.941 -4.513 9.291 1.00 0.00 C ATOM 573 C TRP A 37 -0.828 -5.098 10.698 1.00 0.00 C ATOM 574 O TRP A 37 0.228 -5.633 11.037 1.00 0.00 O ATOM 575 CB TRP A 37 -0.418 -3.074 9.283 1.00 0.00 C ATOM 576 CG TRP A 37 -0.698 -2.273 8.037 1.00 0.00 C ATOM 577 CD1 TRP A 37 -0.849 -2.771 6.788 1.00 0.00 C ATOM 578 CD2 TRP A 37 -0.916 -0.833 7.916 1.00 0.00 C ATOM 579 NE1 TRP A 37 -1.167 -1.753 5.916 1.00 0.00 N ATOM 580 CE2 TRP A 37 -1.240 -0.540 6.561 1.00 0.00 C ATOM 581 CE3 TRP A 37 -0.903 0.256 8.813 1.00 0.00 C ATOM 582 CZ2 TRP A 37 -1.572 0.752 6.132 1.00 0.00 C ATOM 583 CZ3 TRP A 37 -1.188 1.565 8.387 1.00 0.00 C ATOM 584 CH2 TRP A 37 -1.547 1.813 7.051 1.00 0.00 C ATOM 0 H TRP A 37 -2.722 -3.560 8.828 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.349 -5.156 8.640 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.850 -2.547 10.134 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.660 -3.100 9.439 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.737 -3.810 6.516 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.328 -1.882 4.917 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.668 0.080 9.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.845 0.930 5.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.131 2.383 9.089 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.802 2.813 6.733 1.00 0.00 H new ATOM 595 N LYS A 38 -1.882 -4.990 11.517 1.00 0.00 N ATOM 596 CA LYS A 38 -1.868 -5.316 12.941 1.00 0.00 C ATOM 597 C LYS A 38 -1.432 -6.764 13.152 1.00 0.00 C ATOM 598 O LYS A 38 -1.775 -7.653 12.369 1.00 0.00 O ATOM 599 CB LYS A 38 -3.266 -5.073 13.542 1.00 0.00 C ATOM 600 CG LYS A 38 -3.655 -3.591 13.649 1.00 0.00 C ATOM 601 CD LYS A 38 -5.119 -3.483 14.106 1.00 0.00 C ATOM 602 CE LYS A 38 -5.668 -2.059 14.241 1.00 0.00 C ATOM 603 NZ LYS A 38 -5.370 -1.429 15.541 1.00 0.00 N ATOM 0 H LYS A 38 -2.793 -4.663 11.194 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.151 -4.671 13.448 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.007 -5.589 12.931 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.305 -5.520 14.535 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.002 -3.082 14.358 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.525 -3.098 12.685 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.743 -4.028 13.398 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.218 -3.984 15.069 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.252 -1.442 13.444 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.748 -2.080 14.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.771 -0.469 15.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.789 -1.996 16.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.340 -1.377 15.674 1.00 0.00 H new ATOM 617 N GLU A 39 -0.690 -7.010 14.229 1.00 0.00 N ATOM 618 CA GLU A 39 -0.308 -8.356 14.638 1.00 0.00 C ATOM 619 C GLU A 39 -1.550 -9.140 15.038 1.00 0.00 C ATOM 620 O GLU A 39 -2.541 -8.560 15.498 1.00 0.00 O ATOM 621 CB GLU A 39 0.676 -8.322 15.821 1.00 0.00 C ATOM 622 CG GLU A 39 2.068 -7.861 15.382 1.00 0.00 C ATOM 623 CD GLU A 39 2.098 -6.399 14.926 1.00 0.00 C ATOM 624 OE1 GLU A 39 1.400 -5.543 15.519 1.00 0.00 O ATOM 625 OE2 GLU A 39 2.749 -6.105 13.899 1.00 0.00 O ATOM 0 H GLU A 39 -0.336 -6.277 14.844 1.00 0.00 H new ATOM 0 HA GLU A 39 0.185 -8.840 13.795 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.296 -7.652 16.592 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.744 -9.314 16.267 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.766 -7.992 16.209 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.415 -8.497 14.568 1.00 0.00 H new ATOM 632 N GLY A 40 -1.464 -10.461 14.897 1.00 0.00 N ATOM 633 CA GLY A 40 -2.499 -11.402 15.313 1.00 0.00 C ATOM 634 C GLY A 40 -3.803 -11.315 14.520 1.00 0.00 C ATOM 635 O GLY A 40 -4.790 -11.931 14.915 1.00 0.00 O ATOM 0 H GLY A 40 -0.652 -10.917 14.480 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.105 -12.415 15.227 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.720 -11.234 16.367 1.00 0.00 H new ATOM 639 N TYR A 41 -3.846 -10.508 13.463 1.00 0.00 N ATOM 640 CA TYR A 41 -5.053 -10.089 12.787 1.00 0.00 C ATOM 641 C TYR A 41 -5.139 -10.739 11.409 1.00 0.00 C ATOM 642 O TYR A 41 -4.230 -10.563 10.594 1.00 0.00 O ATOM 643 CB TYR A 41 -4.958 -8.566 12.676 1.00 0.00 C ATOM 644 CG TYR A 41 -6.194 -7.817 13.091 1.00 0.00 C ATOM 645 CD1 TYR A 41 -7.420 -7.984 12.426 1.00 0.00 C ATOM 646 CD2 TYR A 41 -6.082 -6.906 14.144 1.00 0.00 C ATOM 647 CE1 TYR A 41 -8.516 -7.176 12.764 1.00 0.00 C ATOM 648 CE2 TYR A 41 -7.166 -6.089 14.487 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.391 -6.215 13.793 1.00 0.00 C ATOM 650 OH TYR A 41 -9.441 -5.414 14.115 1.00 0.00 O ATOM 0 H TYR A 41 -3.002 -10.117 13.044 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.950 -10.387 13.329 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.123 -8.224 13.287 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.724 -8.307 11.643 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -7.519 -8.734 11.655 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.156 -6.832 14.695 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.453 -7.288 12.239 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.066 -5.363 15.281 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.182 -4.813 14.844 1.00 0.00 H new ATOM 660 N GLU A 42 -6.231 -11.443 11.117 1.00 0.00 N ATOM 661 CA GLU A 42 -6.446 -12.093 9.826 1.00 0.00 C ATOM 662 C GLU A 42 -7.443 -11.248 9.015 1.00 0.00 C ATOM 663 O GLU A 42 -8.662 -11.335 9.210 1.00 0.00 O ATOM 664 CB GLU A 42 -6.920 -13.542 10.044 1.00 0.00 C ATOM 665 CG GLU A 42 -5.785 -14.545 10.318 1.00 0.00 C ATOM 666 CD GLU A 42 -4.953 -14.258 11.574 1.00 0.00 C ATOM 667 OE1 GLU A 42 -5.352 -14.676 12.681 1.00 0.00 O ATOM 668 OE2 GLU A 42 -3.854 -13.664 11.451 1.00 0.00 O ATOM 0 H GLU A 42 -6.998 -11.579 11.776 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.519 -12.154 9.256 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.617 -13.562 10.882 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.472 -13.868 9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.216 -15.542 10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.119 -14.561 9.455 1.00 0.00 H new ATOM 675 N ILE A 43 -6.947 -10.371 8.136 1.00 0.00 N ATOM 676 CA ILE A 43 -7.742 -9.549 7.234 1.00 0.00 C ATOM 677 C ILE A 43 -7.704 -10.223 5.867 1.00 0.00 C ATOM 678 O ILE A 43 -7.034 -9.807 4.926 1.00 0.00 O ATOM 679 CB ILE A 43 -7.297 -8.086 7.200 1.00 0.00 C ATOM 680 CG1 ILE A 43 -7.267 -7.494 8.614 1.00 0.00 C ATOM 681 CG2 ILE A 43 -8.322 -7.291 6.374 1.00 0.00 C ATOM 682 CD1 ILE A 43 -6.052 -7.862 9.459 1.00 0.00 C ATOM 0 H ILE A 43 -5.945 -10.213 8.034 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.770 -9.489 7.591 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.299 -8.029 6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.316 -6.408 8.535 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.165 -7.816 9.142 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.025 -6.243 6.336 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.364 -7.693 5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.305 -7.373 6.838 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.134 -7.390 10.438 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.007 -8.944 9.580 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.145 -7.515 8.963 1.00 0.00 H new ATOM 694 N LYS A 44 -8.477 -11.290 5.760 1.00 0.00 N ATOM 695 CA LYS A 44 -8.622 -12.109 4.576 1.00 0.00 C ATOM 696 C LYS A 44 -10.006 -11.858 4.003 1.00 0.00 C ATOM 697 O LYS A 44 -10.813 -12.782 3.870 1.00 0.00 O ATOM 698 CB LYS A 44 -8.286 -13.556 4.908 1.00 0.00 C ATOM 699 CG LYS A 44 -9.067 -14.092 6.110 1.00 0.00 C ATOM 700 CD LYS A 44 -9.646 -15.476 5.854 1.00 0.00 C ATOM 701 CE LYS A 44 -8.528 -16.445 5.485 1.00 0.00 C ATOM 702 NZ LYS A 44 -9.039 -17.819 5.339 1.00 0.00 N ATOM 0 H LYS A 44 -9.048 -11.622 6.537 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.916 -11.847 3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.495 -14.180 4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.218 -13.638 5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.410 -14.131 6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.875 -13.402 6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.169 -15.831 6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.380 -15.430 5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.061 -16.127 4.553 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.755 -16.422 6.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.256 -18.456 5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.463 -18.129 6.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.759 -17.844 4.589 1.00 0.00 H new ATOM 716 N ASN A 45 -10.319 -10.591 3.729 1.00 0.00 N ATOM 717 CA ASN A 45 -11.541 -10.212 3.025 1.00 0.00 C ATOM 718 C ASN A 45 -11.219 -9.360 1.797 1.00 0.00 C ATOM 719 O ASN A 45 -10.096 -8.897 1.618 1.00 0.00 O ATOM 720 CB ASN A 45 -12.573 -9.539 3.951 1.00 0.00 C ATOM 721 CG ASN A 45 -13.895 -9.421 3.202 1.00 0.00 C ATOM 722 OD1 ASN A 45 -14.306 -10.378 2.548 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.498 -8.258 3.134 1.00 0.00 N ATOM 0 H ASN A 45 -9.731 -9.799 3.990 1.00 0.00 H new ATOM 0 HA ASN A 45 -12.013 -11.130 2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.705 -10.126 4.860 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.222 -8.553 4.256 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.315 -8.142 2.535 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -14.150 -7.470 3.680 1.00 0.00 H new ATOM 730 N ARG A 46 -12.196 -9.212 0.904 1.00 0.00 N ATOM 731 CA ARG A 46 -12.023 -8.679 -0.434 1.00 0.00 C ATOM 732 C ARG A 46 -11.702 -7.194 -0.368 1.00 0.00 C ATOM 733 O ARG A 46 -10.770 -6.756 -1.041 1.00 0.00 O ATOM 734 CB ARG A 46 -13.264 -8.929 -1.307 1.00 0.00 C ATOM 735 CG ARG A 46 -13.933 -10.290 -1.083 1.00 0.00 C ATOM 736 CD ARG A 46 -15.266 -10.295 -1.819 1.00 0.00 C ATOM 737 NE ARG A 46 -15.763 -11.654 -2.117 1.00 0.00 N ATOM 738 CZ ARG A 46 -17.012 -12.102 -1.922 1.00 0.00 C ATOM 739 NH1 ARG A 46 -17.962 -11.313 -1.431 1.00 0.00 N ATOM 740 NH2 ARG A 46 -17.332 -13.364 -2.184 1.00 0.00 N ATOM 0 H ARG A 46 -13.162 -9.471 1.106 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.187 -9.201 -0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.994 -8.143 -1.113 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.978 -8.847 -2.356 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.293 -11.092 -1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.086 -10.467 -0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -16.007 -9.768 -1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.160 -9.741 -2.752 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.092 -12.315 -2.509 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.748 -10.344 -1.194 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.905 -11.676 -1.291 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.624 -14.007 -2.538 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.286 -13.691 -2.031 1.00 0.00 H new ATOM 754 N GLU A 47 -12.452 -6.420 0.422 1.00 0.00 N ATOM 755 CA GLU A 47 -12.386 -4.970 0.352 1.00 0.00 C ATOM 756 C GLU A 47 -11.034 -4.401 0.754 1.00 0.00 C ATOM 757 O GLU A 47 -10.664 -3.379 0.191 1.00 0.00 O ATOM 758 CB GLU A 47 -13.498 -4.308 1.167 1.00 0.00 C ATOM 759 CG GLU A 47 -14.859 -4.474 0.486 1.00 0.00 C ATOM 760 CD GLU A 47 -15.670 -5.635 1.043 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.242 -6.802 0.920 1.00 0.00 O ATOM 762 OE2 GLU A 47 -16.774 -5.356 1.570 1.00 0.00 O ATOM 0 H GLU A 47 -13.109 -6.779 1.114 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.531 -4.732 -0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.532 -4.747 2.164 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.278 -3.248 1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.430 -3.553 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.707 -4.625 -0.583 1.00 0.00 H new ATOM 769 N THR A 48 -10.261 -5.037 1.635 1.00 0.00 N ATOM 770 CA THR A 48 -8.899 -4.572 1.894 1.00 0.00 C ATOM 771 C THR A 48 -8.011 -4.753 0.657 1.00 0.00 C ATOM 772 O THR A 48 -7.192 -3.885 0.351 1.00 0.00 O ATOM 773 CB THR A 48 -8.373 -5.247 3.166 1.00 0.00 C ATOM 774 OG1 THR A 48 -9.181 -4.800 4.237 1.00 0.00 O ATOM 775 CG2 THR A 48 -6.924 -4.894 3.503 1.00 0.00 C ATOM 0 H THR A 48 -10.546 -5.857 2.170 1.00 0.00 H new ATOM 0 HA THR A 48 -8.888 -3.499 2.083 1.00 0.00 H new ATOM 0 HB THR A 48 -8.409 -6.324 3.004 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.618 -4.622 5.019 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.626 -5.411 4.416 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.275 -5.202 2.684 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.837 -3.818 3.651 1.00 0.00 H new ATOM 783 N GLY A 49 -8.223 -5.817 -0.117 1.00 0.00 N ATOM 784 CA GLY A 49 -7.595 -5.973 -1.416 1.00 0.00 C ATOM 785 C GLY A 49 -8.046 -4.889 -2.381 1.00 0.00 C ATOM 786 O GLY A 49 -7.229 -4.370 -3.140 1.00 0.00 O ATOM 0 H GLY A 49 -8.835 -6.590 0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.511 -5.936 -1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.841 -6.953 -1.826 1.00 0.00 H new ATOM 790 N CYS A 50 -9.330 -4.527 -2.344 1.00 0.00 N ATOM 791 CA CYS A 50 -9.854 -3.440 -3.145 1.00 0.00 C ATOM 792 C CYS A 50 -9.245 -2.105 -2.738 1.00 0.00 C ATOM 793 O CYS A 50 -8.931 -1.298 -3.610 1.00 0.00 O ATOM 794 CB CYS A 50 -11.376 -3.361 -3.042 1.00 0.00 C ATOM 795 SG CYS A 50 -12.317 -4.846 -3.485 1.00 0.00 S ATOM 0 H CYS A 50 -10.028 -4.984 -1.756 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.581 -3.647 -4.180 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.631 -3.093 -2.017 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.715 -2.544 -3.679 1.00 0.00 H new ATOM 800 N ALA A 51 -9.099 -1.845 -1.436 1.00 0.00 N ATOM 801 CA ALA A 51 -8.521 -0.623 -0.911 1.00 0.00 C ATOM 802 C ALA A 51 -7.125 -0.482 -1.492 1.00 0.00 C ATOM 803 O ALA A 51 -6.858 0.538 -2.109 1.00 0.00 O ATOM 804 CB ALA A 51 -8.556 -0.596 0.624 1.00 0.00 C ATOM 0 H ALA A 51 -9.389 -2.498 -0.708 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.110 0.243 -1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.115 0.334 0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.589 -0.662 0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.989 -1.441 1.016 1.00 0.00 H new ATOM 810 N ILE A 52 -6.281 -1.513 -1.382 1.00 0.00 N ATOM 811 CA ILE A 52 -4.946 -1.560 -1.973 1.00 0.00 C ATOM 812 C ILE A 52 -5.033 -1.278 -3.488 1.00 0.00 C ATOM 813 O ILE A 52 -4.480 -0.286 -3.948 1.00 0.00 O ATOM 814 CB ILE A 52 -4.279 -2.903 -1.591 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.066 -2.965 -0.059 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.929 -3.099 -2.295 1.00 0.00 C ATOM 817 CD1 ILE A 52 -3.718 -4.360 0.456 1.00 0.00 C ATOM 0 H ILE A 52 -6.517 -2.360 -0.864 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.299 -0.777 -1.577 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.947 -3.701 -1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.267 -2.276 0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.972 -2.619 0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.498 -4.055 -1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.077 -3.089 -3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.252 -2.292 -2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.583 -4.326 1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.526 -5.050 0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.796 -4.702 -0.014 1.00 0.00 H new ATOM 829 N MET A 53 -5.765 -2.096 -4.247 1.00 0.00 N ATOM 830 CA MET A 53 -5.863 -2.055 -5.714 1.00 0.00 C ATOM 831 C MET A 53 -6.406 -0.731 -6.280 1.00 0.00 C ATOM 832 O MET A 53 -6.170 -0.388 -7.436 1.00 0.00 O ATOM 833 CB MET A 53 -6.780 -3.223 -6.099 1.00 0.00 C ATOM 834 CG MET A 53 -7.034 -3.400 -7.595 1.00 0.00 C ATOM 835 SD MET A 53 -8.578 -2.647 -8.191 1.00 0.00 S ATOM 836 CE MET A 53 -9.799 -3.558 -7.228 1.00 0.00 C ATOM 0 H MET A 53 -6.333 -2.840 -3.841 1.00 0.00 H new ATOM 0 HA MET A 53 -4.864 -2.135 -6.142 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.346 -4.145 -5.711 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.739 -3.088 -5.600 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.198 -2.969 -8.146 1.00 0.00 H new ATOM 0 HG3 MET A 53 -7.052 -4.465 -7.824 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.682 -3.741 -7.840 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.375 -4.510 -6.910 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.080 -2.975 -6.351 1.00 0.00 H new ATOM 846 N CYS A 54 -7.173 0.005 -5.480 1.00 0.00 N ATOM 847 CA CYS A 54 -7.715 1.308 -5.838 1.00 0.00 C ATOM 848 C CYS A 54 -6.754 2.409 -5.396 1.00 0.00 C ATOM 849 O CYS A 54 -6.548 3.390 -6.113 1.00 0.00 O ATOM 850 CB CYS A 54 -9.066 1.433 -5.143 1.00 0.00 C ATOM 851 SG CYS A 54 -10.056 2.916 -5.438 1.00 0.00 S ATOM 0 H CYS A 54 -7.440 -0.297 -4.543 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.841 1.408 -6.916 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.667 0.571 -5.431 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.894 1.358 -4.069 1.00 0.00 H new ATOM 856 N LEU A 55 -6.155 2.261 -4.210 1.00 0.00 N ATOM 857 CA LEU A 55 -5.144 3.164 -3.690 1.00 0.00 C ATOM 858 C LEU A 55 -3.887 3.190 -4.538 1.00 0.00 C ATOM 859 O LEU A 55 -3.181 4.199 -4.526 1.00 0.00 O ATOM 860 CB LEU A 55 -4.736 2.778 -2.260 1.00 0.00 C ATOM 861 CG LEU A 55 -5.645 3.436 -1.222 1.00 0.00 C ATOM 862 CD1 LEU A 55 -5.525 2.722 0.121 1.00 0.00 C ATOM 863 CD2 LEU A 55 -5.196 4.888 -1.070 1.00 0.00 C ATOM 0 H LEU A 55 -6.370 1.491 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.604 4.152 -3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.779 1.695 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.703 3.076 -2.082 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.684 3.380 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.179 3.203 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.817 1.678 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.494 2.774 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.826 5.388 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.158 4.915 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.283 5.398 -2.029 1.00 0.00 H new ATOM 875 N SER A 56 -3.601 2.111 -5.265 1.00 0.00 N ATOM 876 CA SER A 56 -2.379 2.001 -6.034 1.00 0.00 C ATOM 877 C SER A 56 -2.300 3.102 -7.102 1.00 0.00 C ATOM 878 O SER A 56 -1.222 3.525 -7.504 1.00 0.00 O ATOM 879 CB SER A 56 -2.233 0.554 -6.532 1.00 0.00 C ATOM 880 OG SER A 56 -3.113 0.196 -7.568 1.00 0.00 O ATOM 0 H SER A 56 -4.211 1.297 -5.332 1.00 0.00 H new ATOM 0 HA SER A 56 -1.499 2.188 -5.418 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.209 0.404 -6.876 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.389 -0.122 -5.692 1.00 0.00 H new ATOM 0 HG SER A 56 -4.019 0.095 -7.208 1.00 0.00 H new ATOM 886 N THR A 57 -3.439 3.715 -7.440 1.00 0.00 N ATOM 887 CA THR A 57 -3.519 4.764 -8.444 1.00 0.00 C ATOM 888 C THR A 57 -4.090 6.052 -7.829 1.00 0.00 C ATOM 889 O THR A 57 -4.735 6.863 -8.498 1.00 0.00 O ATOM 890 CB THR A 57 -4.185 4.177 -9.701 1.00 0.00 C ATOM 891 OG1 THR A 57 -3.976 4.992 -10.838 1.00 0.00 O ATOM 892 CG2 THR A 57 -5.678 3.891 -9.527 1.00 0.00 C ATOM 0 H THR A 57 -4.338 3.489 -7.015 1.00 0.00 H new ATOM 0 HA THR A 57 -2.547 5.108 -8.799 1.00 0.00 H new ATOM 0 HB THR A 57 -3.693 3.217 -9.859 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.124 5.931 -10.599 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.080 3.479 -10.453 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.819 3.173 -8.719 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.200 4.817 -9.285 1.00 0.00 H new ATOM 900 N LYS A 58 -3.836 6.232 -6.531 1.00 0.00 N ATOM 901 CA LYS A 58 -4.197 7.375 -5.693 1.00 0.00 C ATOM 902 C LYS A 58 -2.965 7.930 -4.989 1.00 0.00 C ATOM 903 O LYS A 58 -3.099 8.627 -3.987 1.00 0.00 O ATOM 904 CB LYS A 58 -5.245 6.911 -4.672 1.00 0.00 C ATOM 905 CG LYS A 58 -6.616 6.765 -5.328 1.00 0.00 C ATOM 906 CD LYS A 58 -7.398 8.033 -5.085 1.00 0.00 C ATOM 907 CE LYS A 58 -8.706 7.907 -5.820 1.00 0.00 C ATOM 908 NZ LYS A 58 -8.554 8.133 -7.270 1.00 0.00 N ATOM 0 H LYS A 58 -3.332 5.524 -5.997 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.611 8.174 -6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.941 5.958 -4.240 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.303 7.628 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.507 6.586 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.146 5.907 -4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.570 8.179 -4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.841 8.900 -5.439 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.122 6.914 -5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.419 8.625 -5.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.493 8.171 -7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.058 9.033 -7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.004 7.355 -7.687 1.00 0.00 H new ATOM 922 N LEU A 59 -1.762 7.657 -5.479 1.00 0.00 N ATOM 923 CA LEU A 59 -0.522 8.192 -4.932 1.00 0.00 C ATOM 924 C LEU A 59 -0.619 9.710 -4.827 1.00 0.00 C ATOM 925 O LEU A 59 -0.256 10.248 -3.787 1.00 0.00 O ATOM 926 CB LEU A 59 0.667 7.790 -5.812 1.00 0.00 C ATOM 927 CG LEU A 59 0.716 6.301 -6.197 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.827 6.092 -7.216 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.909 5.368 -4.997 1.00 0.00 C ATOM 0 H LEU A 59 -1.619 7.046 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.365 7.778 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.642 8.385 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.589 8.046 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.252 6.041 -6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.871 5.039 -7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.627 6.695 -8.102 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.781 6.392 -6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.934 4.334 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.848 5.608 -4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.082 5.498 -4.298 1.00 0.00 H new ATOM 941 N ASN A 60 -1.223 10.368 -5.827 1.00 0.00 N ATOM 942 CA ASN A 60 -1.445 11.816 -5.856 1.00 0.00 C ATOM 943 C ASN A 60 -2.254 12.343 -4.666 1.00 0.00 C ATOM 944 O ASN A 60 -2.220 13.539 -4.377 1.00 0.00 O ATOM 945 CB ASN A 60 -2.129 12.238 -7.165 1.00 0.00 C ATOM 946 CG ASN A 60 -3.577 11.766 -7.326 1.00 0.00 C ATOM 947 OD1 ASN A 60 -4.492 12.227 -6.649 1.00 0.00 O ATOM 948 ND2 ASN A 60 -3.821 10.841 -8.235 1.00 0.00 N ATOM 0 H ASN A 60 -1.578 9.894 -6.657 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.453 12.262 -5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.109 13.326 -7.233 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.544 11.856 -8.002 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.774 10.505 -8.378 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.057 10.462 -8.794 1.00 0.00 H new ATOM 955 N MET A 61 -2.992 11.473 -3.981 1.00 0.00 N ATOM 956 CA MET A 61 -3.753 11.797 -2.789 1.00 0.00 C ATOM 957 C MET A 61 -2.880 11.646 -1.553 1.00 0.00 C ATOM 958 O MET A 61 -3.010 12.426 -0.606 1.00 0.00 O ATOM 959 CB MET A 61 -4.930 10.824 -2.658 1.00 0.00 C ATOM 960 CG MET A 61 -5.866 10.851 -3.861 1.00 0.00 C ATOM 961 SD MET A 61 -6.679 12.432 -4.163 1.00 0.00 S ATOM 962 CE MET A 61 -7.356 12.709 -2.514 1.00 0.00 C ATOM 0 H MET A 61 -3.076 10.494 -4.253 1.00 0.00 H new ATOM 0 HA MET A 61 -4.108 12.824 -2.871 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.545 9.813 -2.528 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.496 11.067 -1.759 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.298 10.577 -4.750 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.631 10.087 -3.723 1.00 0.00 H new ATOM 0 HE1 MET A 61 -7.917 13.643 -2.503 1.00 0.00 H new ATOM 0 HE2 MET A 61 -8.018 11.885 -2.249 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.542 12.767 -1.791 1.00 0.00 H new ATOM 972 N LEU A 62 -2.085 10.577 -1.508 1.00 0.00 N ATOM 973 CA LEU A 62 -1.266 10.189 -0.376 1.00 0.00 C ATOM 974 C LEU A 62 -0.130 11.172 -0.213 1.00 0.00 C ATOM 975 O LEU A 62 0.217 11.530 0.913 1.00 0.00 O ATOM 976 CB LEU A 62 -0.727 8.773 -0.637 1.00 0.00 C ATOM 977 CG LEU A 62 -1.827 7.740 -0.901 1.00 0.00 C ATOM 978 CD1 LEU A 62 -1.237 6.417 -1.369 1.00 0.00 C ATOM 979 CD2 LEU A 62 -2.693 7.545 0.342 1.00 0.00 C ATOM 0 H LEU A 62 -1.995 9.936 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.852 10.192 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.053 8.801 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.138 8.453 0.222 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.462 8.120 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.041 5.703 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.678 6.574 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.569 6.025 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.468 6.808 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.072 7.195 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.158 8.493 0.614 1.00 0.00 H new ATOM 991 N ASP A 63 0.451 11.556 -1.343 1.00 0.00 N ATOM 992 CA ASP A 63 1.635 12.330 -1.498 1.00 0.00 C ATOM 993 C ASP A 63 1.324 13.814 -1.663 1.00 0.00 C ATOM 994 O ASP A 63 0.723 14.222 -2.658 1.00 0.00 O ATOM 995 CB ASP A 63 2.397 11.686 -2.649 1.00 0.00 C ATOM 996 CG ASP A 63 2.580 12.379 -3.988 1.00 0.00 C ATOM 997 OD1 ASP A 63 1.641 12.586 -4.791 1.00 0.00 O ATOM 998 OD2 ASP A 63 3.762 12.632 -4.273 1.00 0.00 O ATOM 0 H ASP A 63 0.053 11.300 -2.246 1.00 0.00 H new ATOM 0 HA ASP A 63 2.266 12.323 -0.609 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.395 11.459 -2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.909 10.733 -2.854 1.00 0.00 H new ATOM 1003 N PRO A 64 1.655 14.660 -0.675 1.00 0.00 N ATOM 1004 CA PRO A 64 1.299 16.067 -0.753 1.00 0.00 C ATOM 1005 C PRO A 64 2.274 16.879 -1.590 1.00 0.00 C ATOM 1006 O PRO A 64 1.867 17.774 -2.333 1.00 0.00 O ATOM 1007 CB PRO A 64 1.262 16.531 0.707 1.00 0.00 C ATOM 1008 CG PRO A 64 2.306 15.650 1.393 1.00 0.00 C ATOM 1009 CD PRO A 64 2.196 14.328 0.637 1.00 0.00 C ATOM 0 HA PRO A 64 0.344 16.212 -1.258 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.509 17.589 0.797 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.273 16.396 1.145 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.306 16.076 1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.093 15.526 2.455 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.170 13.848 0.547 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.544 13.631 1.163 1.00 0.00 H new ATOM 1017 N GLU A 65 3.557 16.563 -1.474 1.00 0.00 N ATOM 1018 CA GLU A 65 4.641 17.184 -2.198 1.00 0.00 C ATOM 1019 C GLU A 65 4.774 16.654 -3.623 1.00 0.00 C ATOM 1020 O GLU A 65 5.558 17.219 -4.379 1.00 0.00 O ATOM 1021 CB GLU A 65 5.930 16.919 -1.432 1.00 0.00 C ATOM 1022 CG GLU A 65 6.050 17.782 -0.179 1.00 0.00 C ATOM 1023 CD GLU A 65 7.507 17.857 0.271 1.00 0.00 C ATOM 1024 OE1 GLU A 65 8.345 18.478 -0.421 1.00 0.00 O ATOM 1025 OE2 GLU A 65 7.867 17.234 1.294 1.00 0.00 O ATOM 0 H GLU A 65 3.878 15.831 -0.840 1.00 0.00 H new ATOM 0 HA GLU A 65 4.436 18.252 -2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.972 15.867 -1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.783 17.109 -2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.672 18.784 -0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.436 17.365 0.619 1.00 0.00 H new ATOM 1032 N GLY A 66 4.050 15.599 -4.022 1.00 0.00 N ATOM 1033 CA GLY A 66 4.141 15.204 -5.430 1.00 0.00 C ATOM 1034 C GLY A 66 5.500 14.559 -5.773 1.00 0.00 C ATOM 1035 O GLY A 66 6.020 14.790 -6.861 1.00 0.00 O ATOM 0 H GLY A 66 3.434 15.037 -3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.340 14.501 -5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.988 16.080 -6.061 1.00 0.00 H new ATOM 1039 N ASN A 67 6.111 13.822 -4.836 1.00 0.00 N ATOM 1040 CA ASN A 67 7.301 12.967 -4.961 1.00 0.00 C ATOM 1041 C ASN A 67 7.025 11.564 -5.490 1.00 0.00 C ATOM 1042 O ASN A 67 7.849 10.977 -6.200 1.00 0.00 O ATOM 1043 CB ASN A 67 7.944 12.726 -3.586 1.00 0.00 C ATOM 1044 CG ASN A 67 6.976 12.527 -2.446 1.00 0.00 C ATOM 1045 OD1 ASN A 67 6.459 13.639 -1.979 1.00 0.00 O flip ATOM 1046 ND2 ASN A 67 6.710 11.434 -1.970 1.00 0.00 N flip ATOM 0 H ASN A 67 5.752 13.807 -3.882 1.00 0.00 H new ATOM 0 HA ASN A 67 7.933 13.515 -5.660 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.586 11.848 -3.653 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.587 13.574 -3.351 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.132 10.591 -2.360 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.066 11.364 -1.182 1.00 0.00 H new ATOM 1053 N LEU A 68 5.955 10.971 -4.983 1.00 0.00 N ATOM 1054 CA LEU A 68 5.602 9.568 -5.149 1.00 0.00 C ATOM 1055 C LEU A 68 4.792 9.440 -6.431 1.00 0.00 C ATOM 1056 O LEU A 68 3.701 10.010 -6.528 1.00 0.00 O ATOM 1057 CB LEU A 68 4.820 9.098 -3.911 1.00 0.00 C ATOM 1058 CG LEU A 68 4.335 7.636 -3.951 1.00 0.00 C ATOM 1059 CD1 LEU A 68 5.484 6.636 -4.084 1.00 0.00 C ATOM 1060 CD2 LEU A 68 3.566 7.340 -2.655 1.00 0.00 C ATOM 0 H LEU A 68 5.276 11.479 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 68 6.484 8.934 -5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.451 9.230 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.954 9.747 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 68 3.700 7.521 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.083 5.623 -4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.031 6.831 -5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.158 6.741 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.216 6.308 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.224 7.489 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.712 8.012 -2.577 1.00 0.00 H new ATOM 1072 N HIS A 69 5.317 8.723 -7.423 1.00 0.00 N ATOM 1073 CA HIS A 69 4.650 8.531 -8.705 1.00 0.00 C ATOM 1074 C HIS A 69 4.494 7.036 -8.977 1.00 0.00 C ATOM 1075 O HIS A 69 5.154 6.199 -8.359 1.00 0.00 O ATOM 1076 CB HIS A 69 5.436 9.234 -9.821 1.00 0.00 C ATOM 1077 CG HIS A 69 5.780 10.683 -9.544 1.00 0.00 C ATOM 1078 ND1 HIS A 69 4.948 11.769 -9.706 1.00 0.00 N ATOM 1079 CD2 HIS A 69 6.989 11.157 -9.106 1.00 0.00 C ATOM 1080 CE1 HIS A 69 5.642 12.872 -9.370 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.904 12.552 -9.033 1.00 0.00 N ATOM 0 H HIS A 69 6.222 8.257 -7.357 1.00 0.00 H new ATOM 0 HA HIS A 69 3.656 8.977 -8.676 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.360 8.684 -9.997 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.855 9.183 -10.742 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.855 10.559 -8.861 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.241 13.875 -9.371 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.651 13.198 -8.775 1.00 0.00 H new ATOM 1089 N HIS A 70 3.613 6.705 -9.916 1.00 0.00 N ATOM 1090 CA HIS A 70 3.295 5.354 -10.326 1.00 0.00 C ATOM 1091 C HIS A 70 4.580 4.805 -10.945 1.00 0.00 C ATOM 1092 O HIS A 70 5.100 5.385 -11.904 1.00 0.00 O ATOM 1093 CB HIS A 70 2.116 5.430 -11.315 1.00 0.00 C ATOM 1094 CG HIS A 70 0.947 4.488 -11.151 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -0.140 4.454 -11.995 1.00 0.00 N ATOM 1096 CD2 HIS A 70 0.744 3.534 -10.191 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -0.970 3.493 -11.562 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -0.472 2.900 -10.473 1.00 0.00 N ATOM 0 H HIS A 70 3.081 7.407 -10.431 1.00 0.00 H new ATOM 0 HA HIS A 70 2.982 4.694 -9.517 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.724 6.446 -11.279 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.519 5.279 -12.316 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.403 3.311 -9.365 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.909 3.235 -12.028 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.896 2.134 -9.949 1.00 0.00 H new ATOM 1106 N GLY A 71 5.146 3.761 -10.349 1.00 0.00 N ATOM 1107 CA GLY A 71 6.414 3.188 -10.754 1.00 0.00 C ATOM 1108 C GLY A 71 7.618 4.094 -10.503 1.00 0.00 C ATOM 1109 O GLY A 71 8.634 3.902 -11.176 1.00 0.00 O ATOM 0 H GLY A 71 4.722 3.283 -9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.563 2.249 -10.221 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.369 2.948 -11.816 1.00 0.00 H new ATOM 1113 N ASN A 72 7.526 5.097 -9.619 1.00 0.00 N ATOM 1114 CA ASN A 72 8.663 5.934 -9.236 1.00 0.00 C ATOM 1115 C ASN A 72 8.560 6.310 -7.755 1.00 0.00 C ATOM 1116 O ASN A 72 8.015 7.366 -7.410 1.00 0.00 O ATOM 1117 CB ASN A 72 8.775 7.193 -10.121 1.00 0.00 C ATOM 1118 CG ASN A 72 10.194 7.732 -10.215 1.00 0.00 C ATOM 1119 OD1 ASN A 72 11.121 7.269 -9.555 1.00 0.00 O ATOM 1120 ND2 ASN A 72 10.384 8.773 -11.003 1.00 0.00 N ATOM 0 H ASN A 72 6.656 5.349 -9.150 1.00 0.00 H new ATOM 0 HA ASN A 72 9.574 5.356 -9.391 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.415 6.959 -11.123 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.123 7.970 -9.721 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.307 9.201 -11.069 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.607 9.150 -11.547 1.00 0.00 H new ATOM 1127 N ALA A 73 9.076 5.455 -6.870 1.00 0.00 N ATOM 1128 CA ALA A 73 9.061 5.666 -5.426 1.00 0.00 C ATOM 1129 C ALA A 73 10.483 5.661 -4.842 1.00 0.00 C ATOM 1130 O ALA A 73 10.640 5.632 -3.625 1.00 0.00 O ATOM 1131 CB ALA A 73 8.143 4.622 -4.772 1.00 0.00 C ATOM 0 H ALA A 73 9.524 4.581 -7.145 1.00 0.00 H new ATOM 0 HA ALA A 73 8.657 6.654 -5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.128 4.775 -3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.133 4.727 -5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.516 3.621 -4.991 1.00 0.00 H new ATOM 1137 N MET A 74 11.531 5.733 -5.671 1.00 0.00 N ATOM 1138 CA MET A 74 12.923 5.553 -5.264 1.00 0.00 C ATOM 1139 C MET A 74 13.366 6.699 -4.362 1.00 0.00 C ATOM 1140 O MET A 74 14.043 6.491 -3.350 1.00 0.00 O ATOM 1141 CB MET A 74 13.818 5.506 -6.515 1.00 0.00 C ATOM 1142 CG MET A 74 13.835 4.120 -7.161 1.00 0.00 C ATOM 1143 SD MET A 74 14.895 2.946 -6.279 1.00 0.00 S ATOM 1144 CE MET A 74 14.469 1.431 -7.168 1.00 0.00 C ATOM 0 H MET A 74 11.428 5.923 -6.668 1.00 0.00 H new ATOM 0 HA MET A 74 13.012 4.618 -4.711 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.464 6.239 -7.240 1.00 0.00 H new ATOM 0 HB3 MET A 74 14.834 5.791 -6.243 1.00 0.00 H new ATOM 0 HG2 MET A 74 12.818 3.728 -7.196 1.00 0.00 H new ATOM 0 HG3 MET A 74 14.178 4.209 -8.192 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.034 0.595 -6.755 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.402 1.235 -7.063 1.00 0.00 H new ATOM 0 HE3 MET A 74 14.714 1.547 -8.224 1.00 0.00 H new ATOM 1154 N GLU A 75 12.988 7.923 -4.727 1.00 0.00 N ATOM 1155 CA GLU A 75 13.313 9.105 -3.943 1.00 0.00 C ATOM 1156 C GLU A 75 12.517 9.098 -2.640 1.00 0.00 C ATOM 1157 O GLU A 75 13.096 9.321 -1.580 1.00 0.00 O ATOM 1158 CB GLU A 75 13.034 10.374 -4.756 1.00 0.00 C ATOM 1159 CG GLU A 75 14.149 10.686 -5.764 1.00 0.00 C ATOM 1160 CD GLU A 75 15.321 11.433 -5.117 1.00 0.00 C ATOM 1161 OE1 GLU A 75 16.277 10.783 -4.633 1.00 0.00 O ATOM 1162 OE2 GLU A 75 15.296 12.690 -5.136 1.00 0.00 O ATOM 0 H GLU A 75 12.450 8.119 -5.571 1.00 0.00 H new ATOM 0 HA GLU A 75 14.375 9.092 -3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.090 10.260 -5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.917 11.218 -4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 75 14.511 9.756 -6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 75 13.743 11.286 -6.578 1.00 0.00 H new ATOM 1169 N PHE A 76 11.214 8.811 -2.703 1.00 0.00 N ATOM 1170 CA PHE A 76 10.320 8.647 -1.573 1.00 0.00 C ATOM 1171 C PHE A 76 10.856 7.608 -0.578 1.00 0.00 C ATOM 1172 O PHE A 76 10.925 7.887 0.620 1.00 0.00 O ATOM 1173 CB PHE A 76 8.942 8.294 -2.136 1.00 0.00 C ATOM 1174 CG PHE A 76 7.964 7.808 -1.104 1.00 0.00 C ATOM 1175 CD1 PHE A 76 7.332 8.728 -0.254 1.00 0.00 C ATOM 1176 CD2 PHE A 76 7.693 6.434 -1.002 1.00 0.00 C ATOM 1177 CE1 PHE A 76 6.405 8.269 0.698 1.00 0.00 C ATOM 1178 CE2 PHE A 76 6.744 5.979 -0.076 1.00 0.00 C ATOM 1179 CZ PHE A 76 6.106 6.894 0.779 1.00 0.00 C ATOM 0 H PHE A 76 10.737 8.682 -3.595 1.00 0.00 H new ATOM 0 HA PHE A 76 10.245 9.568 -0.995 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.527 9.173 -2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.059 7.526 -2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.556 9.782 -0.331 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.214 5.730 -1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.923 8.968 1.366 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.504 4.928 -0.020 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.384 6.542 1.501 1.00 0.00 H new ATOM 1189 N ALA A 77 11.303 6.449 -1.060 1.00 0.00 N ATOM 1190 CA ALA A 77 11.956 5.419 -0.270 1.00 0.00 C ATOM 1191 C ALA A 77 13.158 6.011 0.471 1.00 0.00 C ATOM 1192 O ALA A 77 13.279 5.855 1.691 1.00 0.00 O ATOM 1193 CB ALA A 77 12.324 4.240 -1.182 1.00 0.00 C ATOM 0 H ALA A 77 11.215 6.198 -2.045 1.00 0.00 H new ATOM 0 HA ALA A 77 11.282 5.035 0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.814 3.464 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.419 3.834 -1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.000 4.583 -1.965 1.00 0.00 H new ATOM 1199 N LYS A 78 14.015 6.777 -0.213 1.00 0.00 N ATOM 1200 CA LYS A 78 15.130 7.466 0.425 1.00 0.00 C ATOM 1201 C LYS A 78 14.709 8.524 1.437 1.00 0.00 C ATOM 1202 O LYS A 78 15.498 8.801 2.348 1.00 0.00 O ATOM 1203 CB LYS A 78 16.053 8.053 -0.651 1.00 0.00 C ATOM 1204 CG LYS A 78 17.178 7.046 -0.880 1.00 0.00 C ATOM 1205 CD LYS A 78 18.133 7.405 -2.020 1.00 0.00 C ATOM 1206 CE LYS A 78 19.148 6.264 -2.109 1.00 0.00 C ATOM 1207 NZ LYS A 78 20.280 6.569 -3.002 1.00 0.00 N ATOM 0 H LYS A 78 13.952 6.933 -1.219 1.00 0.00 H new ATOM 0 HA LYS A 78 15.671 6.722 1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.502 8.231 -1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.456 9.013 -0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.753 6.948 0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.738 6.070 -1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.592 7.517 -2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.632 8.354 -1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 78 19.528 6.045 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.645 5.364 -2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 20.934 5.760 -3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.925 6.752 -3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 20.781 7.411 -2.652 1.00 0.00 H new ATOM 1221 N LYS A 79 13.506 9.101 1.363 1.00 0.00 N ATOM 1222 CA LYS A 79 12.998 9.984 2.427 1.00 0.00 C ATOM 1223 C LYS A 79 12.813 9.225 3.735 1.00 0.00 C ATOM 1224 O LYS A 79 12.848 9.842 4.800 1.00 0.00 O ATOM 1225 CB LYS A 79 11.702 10.701 2.051 1.00 0.00 C ATOM 1226 CG LYS A 79 11.885 11.418 0.710 1.00 0.00 C ATOM 1227 CD LYS A 79 10.792 12.437 0.421 1.00 0.00 C ATOM 1228 CE LYS A 79 10.889 12.919 -1.037 1.00 0.00 C ATOM 1229 NZ LYS A 79 12.112 13.710 -1.309 1.00 0.00 N ATOM 0 H LYS A 79 12.864 8.975 0.581 1.00 0.00 H new ATOM 0 HA LYS A 79 13.761 10.751 2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.884 9.984 1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.433 11.419 2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.852 11.920 0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.904 10.678 -0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.813 11.992 0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.886 13.285 1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.868 12.055 -1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.013 13.524 -1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.120 14.006 -2.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.124 14.552 -0.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.952 13.129 -1.114 1.00 0.00 H new ATOM 1243 N HIS A 80 12.667 7.901 3.670 1.00 0.00 N ATOM 1244 CA HIS A 80 12.479 7.027 4.813 1.00 0.00 C ATOM 1245 C HIS A 80 13.679 6.082 4.970 1.00 0.00 C ATOM 1246 O HIS A 80 13.588 5.074 5.671 1.00 0.00 O ATOM 1247 CB HIS A 80 11.152 6.287 4.618 1.00 0.00 C ATOM 1248 CG HIS A 80 9.939 7.179 4.454 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.869 6.946 3.615 1.00 0.00 N ATOM 1250 CD2 HIS A 80 9.700 8.361 5.106 1.00 0.00 C ATOM 1251 CE1 HIS A 80 7.993 7.951 3.781 1.00 0.00 C ATOM 1252 NE2 HIS A 80 8.444 8.825 4.700 1.00 0.00 N ATOM 0 H HIS A 80 12.678 7.396 2.784 1.00 0.00 H new ATOM 0 HA HIS A 80 12.428 7.594 5.742 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.236 5.648 3.739 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.989 5.632 5.474 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.362 8.847 5.807 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.057 8.045 3.251 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.965 9.661 5.035 1.00 0.00 H new ATOM 1260 N GLY A 81 14.812 6.380 4.322 1.00 0.00 N ATOM 1261 CA GLY A 81 16.052 5.642 4.514 1.00 0.00 C ATOM 1262 C GLY A 81 16.062 4.253 3.873 1.00 0.00 C ATOM 1263 O GLY A 81 16.874 3.419 4.283 1.00 0.00 O ATOM 0 H GLY A 81 14.888 7.143 3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.876 6.225 4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.238 5.538 5.583 1.00 0.00 H new ATOM 1267 N ALA A 82 15.202 3.992 2.887 1.00 0.00 N ATOM 1268 CA ALA A 82 15.281 2.799 2.049 1.00 0.00 C ATOM 1269 C ALA A 82 16.012 3.174 0.756 1.00 0.00 C ATOM 1270 O ALA A 82 15.507 3.974 -0.031 1.00 0.00 O ATOM 1271 CB ALA A 82 13.877 2.236 1.807 1.00 0.00 C ATOM 0 H ALA A 82 14.426 4.609 2.647 1.00 0.00 H new ATOM 0 HA ALA A 82 15.845 2.005 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.945 1.346 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.420 1.974 2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.265 2.986 1.306 1.00 0.00 H new ATOM 1277 N ASP A 83 17.242 2.684 0.571 1.00 0.00 N ATOM 1278 CA ASP A 83 18.055 3.001 -0.599 1.00 0.00 C ATOM 1279 C ASP A 83 17.602 2.179 -1.811 1.00 0.00 C ATOM 1280 O ASP A 83 16.695 1.359 -1.727 1.00 0.00 O ATOM 1281 CB ASP A 83 19.544 2.716 -0.355 1.00 0.00 C ATOM 1282 CG ASP A 83 19.899 1.367 0.273 1.00 0.00 C ATOM 1283 OD1 ASP A 83 19.700 1.208 1.497 1.00 0.00 O ATOM 1284 OD2 ASP A 83 20.457 0.502 -0.444 1.00 0.00 O ATOM 0 H ASP A 83 17.699 2.056 1.232 1.00 0.00 H new ATOM 0 HA ASP A 83 17.922 4.066 -0.792 1.00 0.00 H new ATOM 0 HB2 ASP A 83 20.064 2.793 -1.310 1.00 0.00 H new ATOM 0 HB3 ASP A 83 19.939 3.503 0.287 1.00 0.00 H new ATOM 1289 N GLU A 84 18.281 2.372 -2.939 1.00 0.00 N ATOM 1290 CA GLU A 84 18.001 1.756 -4.223 1.00 0.00 C ATOM 1291 C GLU A 84 17.809 0.250 -4.138 1.00 0.00 C ATOM 1292 O GLU A 84 16.856 -0.322 -4.659 1.00 0.00 O ATOM 1293 CB GLU A 84 19.184 2.047 -5.162 1.00 0.00 C ATOM 1294 CG GLU A 84 18.647 2.201 -6.570 1.00 0.00 C ATOM 1295 CD GLU A 84 19.692 1.858 -7.633 1.00 0.00 C ATOM 1296 OE1 GLU A 84 20.627 2.664 -7.858 1.00 0.00 O ATOM 1297 OE2 GLU A 84 19.615 0.723 -8.162 1.00 0.00 O ATOM 0 H GLU A 84 19.085 2.998 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 84 17.066 2.178 -4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 84 19.701 2.955 -4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 84 19.911 1.236 -5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.778 1.556 -6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.307 3.226 -6.716 1.00 0.00 H new ATOM 1304 N THR A 85 18.790 -0.395 -3.538 1.00 0.00 N ATOM 1305 CA THR A 85 18.829 -1.835 -3.348 1.00 0.00 C ATOM 1306 C THR A 85 17.770 -2.320 -2.346 1.00 0.00 C ATOM 1307 O THR A 85 17.277 -3.439 -2.473 1.00 0.00 O ATOM 1308 CB THR A 85 20.254 -2.208 -2.929 1.00 0.00 C ATOM 1309 OG1 THR A 85 21.156 -1.798 -3.946 1.00 0.00 O ATOM 1310 CG2 THR A 85 20.416 -3.713 -2.722 1.00 0.00 C ATOM 0 H THR A 85 19.608 0.081 -3.157 1.00 0.00 H new ATOM 0 HA THR A 85 18.578 -2.341 -4.280 1.00 0.00 H new ATOM 0 HB THR A 85 20.463 -1.707 -1.984 1.00 0.00 H new ATOM 0 HG1 THR A 85 22.071 -2.031 -3.685 1.00 0.00 H new ATOM 0 HG21 THR A 85 21.442 -3.931 -2.426 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.734 -4.048 -1.941 1.00 0.00 H new ATOM 0 HG23 THR A 85 20.188 -4.235 -3.651 1.00 0.00 H new ATOM 1318 N MET A 86 17.390 -1.516 -1.354 1.00 0.00 N ATOM 1319 CA MET A 86 16.259 -1.811 -0.490 1.00 0.00 C ATOM 1320 C MET A 86 14.956 -1.716 -1.288 1.00 0.00 C ATOM 1321 O MET A 86 14.142 -2.627 -1.187 1.00 0.00 O ATOM 1322 CB MET A 86 16.280 -0.823 0.685 1.00 0.00 C ATOM 1323 CG MET A 86 17.259 -1.217 1.791 1.00 0.00 C ATOM 1324 SD MET A 86 17.194 -0.109 3.224 1.00 0.00 S ATOM 1325 CE MET A 86 18.422 -0.886 4.287 1.00 0.00 C ATOM 0 H MET A 86 17.862 -0.640 -1.130 1.00 0.00 H new ATOM 0 HA MET A 86 16.325 -2.826 -0.099 1.00 0.00 H new ATOM 0 HB2 MET A 86 16.543 0.167 0.313 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.277 -0.749 1.106 1.00 0.00 H new ATOM 0 HG2 MET A 86 17.041 -2.235 2.116 1.00 0.00 H new ATOM 0 HG3 MET A 86 18.272 -1.221 1.388 1.00 0.00 H new ATOM 0 HE1 MET A 86 18.506 -0.324 5.217 1.00 0.00 H new ATOM 0 HE2 MET A 86 18.118 -1.909 4.507 1.00 0.00 H new ATOM 0 HE3 MET A 86 19.387 -0.896 3.781 1.00 0.00 H new ATOM 1335 N ALA A 87 14.763 -0.681 -2.108 1.00 0.00 N ATOM 1336 CA ALA A 87 13.584 -0.581 -2.957 1.00 0.00 C ATOM 1337 C ALA A 87 13.543 -1.770 -3.921 1.00 0.00 C ATOM 1338 O ALA A 87 12.562 -2.503 -3.966 1.00 0.00 O ATOM 1339 CB ALA A 87 13.592 0.761 -3.689 1.00 0.00 C ATOM 0 H ALA A 87 15.413 0.100 -2.199 1.00 0.00 H new ATOM 0 HA ALA A 87 12.678 -0.619 -2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.709 0.834 -4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.584 1.572 -2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.489 0.834 -4.304 1.00 0.00 H new ATOM 1345 N GLN A 88 14.635 -2.026 -4.649 1.00 0.00 N ATOM 1346 CA GLN A 88 14.735 -3.120 -5.611 1.00 0.00 C ATOM 1347 C GLN A 88 14.380 -4.467 -4.983 1.00 0.00 C ATOM 1348 O GLN A 88 13.721 -5.259 -5.651 1.00 0.00 O ATOM 1349 CB GLN A 88 16.136 -3.154 -6.241 1.00 0.00 C ATOM 1350 CG GLN A 88 16.378 -4.321 -7.218 1.00 0.00 C ATOM 1351 CD GLN A 88 15.513 -4.257 -8.478 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.947 -3.736 -9.500 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.298 -4.780 -8.445 1.00 0.00 N ATOM 0 H GLN A 88 15.486 -1.468 -4.583 1.00 0.00 H new ATOM 0 HA GLN A 88 14.005 -2.935 -6.399 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.304 -2.216 -6.769 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.877 -3.207 -5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.428 -4.328 -7.509 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.184 -5.261 -6.702 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.951 -5.210 -7.588 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.708 -4.753 -9.277 1.00 0.00 H new ATOM 1362 N GLN A 89 14.797 -4.727 -3.741 1.00 0.00 N ATOM 1363 CA GLN A 89 14.389 -5.909 -2.998 1.00 0.00 C ATOM 1364 C GLN A 89 12.867 -6.002 -2.940 1.00 0.00 C ATOM 1365 O GLN A 89 12.299 -7.020 -3.329 1.00 0.00 O ATOM 1366 CB GLN A 89 15.002 -5.857 -1.588 1.00 0.00 C ATOM 1367 CG GLN A 89 16.393 -6.473 -1.530 1.00 0.00 C ATOM 1368 CD GLN A 89 16.448 -7.972 -1.800 1.00 0.00 C ATOM 1369 OE1 GLN A 89 15.505 -8.739 -1.605 1.00 0.00 O ATOM 1370 NE2 GLN A 89 17.620 -8.428 -2.182 1.00 0.00 N ATOM 0 H GLN A 89 15.431 -4.116 -3.225 1.00 0.00 H new ATOM 0 HA GLN A 89 14.752 -6.804 -3.504 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.054 -4.820 -1.257 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.347 -6.381 -0.892 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.029 -5.965 -2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.818 -6.281 -0.545 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.392 -7.781 -2.340 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.757 -9.429 -2.321 1.00 0.00 H new ATOM 1379 N LEU A 90 12.202 -4.953 -2.458 1.00 0.00 N ATOM 1380 CA LEU A 90 10.751 -4.933 -2.326 1.00 0.00 C ATOM 1381 C LEU A 90 10.052 -5.064 -3.680 1.00 0.00 C ATOM 1382 O LEU A 90 9.010 -5.700 -3.757 1.00 0.00 O ATOM 1383 CB LEU A 90 10.307 -3.634 -1.642 1.00 0.00 C ATOM 1384 CG LEU A 90 10.868 -3.367 -0.229 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.340 -2.003 0.234 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.562 -4.452 0.824 1.00 0.00 C ATOM 0 H LEU A 90 12.657 -4.094 -2.149 1.00 0.00 H new ATOM 0 HA LEU A 90 10.465 -5.791 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.588 -2.799 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.219 -3.636 -1.581 1.00 0.00 H new ATOM 0 HG LEU A 90 11.955 -3.382 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.720 -1.785 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.674 -1.230 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.250 -2.023 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.001 -4.166 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.483 -4.555 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.986 -5.403 0.500 1.00 0.00 H new ATOM 1398 N ILE A 91 10.625 -4.501 -4.735 1.00 0.00 N ATOM 1399 CA ILE A 91 10.070 -4.497 -6.083 1.00 0.00 C ATOM 1400 C ILE A 91 10.169 -5.910 -6.680 1.00 0.00 C ATOM 1401 O ILE A 91 9.221 -6.403 -7.296 1.00 0.00 O ATOM 1402 CB ILE A 91 10.830 -3.396 -6.856 1.00 0.00 C ATOM 1403 CG1 ILE A 91 10.384 -2.019 -6.294 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.684 -3.489 -8.384 1.00 0.00 C ATOM 1405 CD1 ILE A 91 11.357 -0.875 -6.552 1.00 0.00 C ATOM 0 H ILE A 91 11.521 -4.017 -4.674 1.00 0.00 H new ATOM 0 HA ILE A 91 9.007 -4.259 -6.124 1.00 0.00 H new ATOM 0 HB ILE A 91 11.899 -3.535 -6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.419 -1.761 -6.729 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.234 -2.113 -5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.246 -2.682 -8.853 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.070 -4.448 -8.729 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.632 -3.403 -8.655 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.959 0.045 -6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.318 -1.104 -6.092 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.490 -0.746 -7.626 1.00 0.00 H new ATOM 1417 N ASP A 92 11.295 -6.603 -6.466 1.00 0.00 N ATOM 1418 CA ASP A 92 11.459 -7.992 -6.903 1.00 0.00 C ATOM 1419 C ASP A 92 10.439 -8.867 -6.189 1.00 0.00 C ATOM 1420 O ASP A 92 9.898 -9.806 -6.777 1.00 0.00 O ATOM 1421 CB ASP A 92 12.879 -8.522 -6.613 1.00 0.00 C ATOM 1422 CG ASP A 92 13.524 -9.228 -7.813 1.00 0.00 C ATOM 1423 OD1 ASP A 92 13.273 -8.849 -8.981 1.00 0.00 O ATOM 1424 OD2 ASP A 92 14.372 -10.137 -7.632 1.00 0.00 O ATOM 0 H ASP A 92 12.111 -6.219 -5.989 1.00 0.00 H new ATOM 0 HA ASP A 92 11.303 -8.025 -7.981 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.513 -7.690 -6.306 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.835 -9.216 -5.773 1.00 0.00 H new ATOM 1429 N ILE A 93 10.176 -8.567 -4.917 1.00 0.00 N ATOM 1430 CA ILE A 93 9.131 -9.170 -4.122 1.00 0.00 C ATOM 1431 C ILE A 93 7.734 -8.863 -4.676 1.00 0.00 C ATOM 1432 O ILE A 93 6.977 -9.820 -4.792 1.00 0.00 O ATOM 1433 CB ILE A 93 9.337 -8.753 -2.651 1.00 0.00 C ATOM 1434 CG1 ILE A 93 10.632 -9.417 -2.137 1.00 0.00 C ATOM 1435 CG2 ILE A 93 8.109 -9.101 -1.810 1.00 0.00 C ATOM 1436 CD1 ILE A 93 11.132 -8.882 -0.788 1.00 0.00 C ATOM 0 H ILE A 93 10.712 -7.869 -4.401 1.00 0.00 H new ATOM 0 HA ILE A 93 9.197 -10.257 -4.174 1.00 0.00 H new ATOM 0 HB ILE A 93 9.451 -7.672 -2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.464 -10.490 -2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.416 -9.278 -2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.278 -8.798 -0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.238 -8.578 -2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.934 -10.176 -1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.045 -9.405 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.337 -7.815 -0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.369 -9.046 -0.026 1.00 0.00 H new ATOM 1448 N VAL A 94 7.352 -7.624 -5.017 1.00 0.00 N ATOM 1449 CA VAL A 94 6.016 -7.334 -5.566 1.00 0.00 C ATOM 1450 C VAL A 94 5.792 -8.223 -6.781 1.00 0.00 C ATOM 1451 O VAL A 94 4.855 -9.029 -6.802 1.00 0.00 O ATOM 1452 CB VAL A 94 5.826 -5.829 -5.893 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.565 -5.505 -6.730 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.709 -5.048 -4.580 1.00 0.00 C ATOM 0 H VAL A 94 7.950 -6.803 -4.923 1.00 0.00 H new ATOM 0 HA VAL A 94 5.261 -7.558 -4.812 1.00 0.00 H new ATOM 0 HB VAL A 94 6.694 -5.546 -6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.514 -4.431 -6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.616 -6.031 -7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.676 -5.824 -6.187 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.575 -3.988 -4.798 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.852 -5.413 -4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.617 -5.186 -3.993 1.00 0.00 H new ATOM 1464 N HIS A 95 6.691 -8.145 -7.761 1.00 0.00 N ATOM 1465 CA HIS A 95 6.522 -8.864 -9.010 1.00 0.00 C ATOM 1466 C HIS A 95 6.731 -10.365 -8.804 1.00 0.00 C ATOM 1467 O HIS A 95 6.307 -11.168 -9.638 1.00 0.00 O ATOM 1468 CB HIS A 95 7.476 -8.282 -10.056 1.00 0.00 C ATOM 1469 CG HIS A 95 7.318 -6.791 -10.271 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.331 -5.924 -10.610 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.181 -6.041 -10.090 1.00 0.00 C ATOM 1472 CE1 HIS A 95 7.811 -4.685 -10.624 1.00 0.00 C ATOM 1473 NE2 HIS A 95 6.496 -4.707 -10.359 1.00 0.00 N ATOM 0 H HIS A 95 7.544 -7.588 -7.708 1.00 0.00 H new ATOM 0 HA HIS A 95 5.502 -8.741 -9.373 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.502 -8.488 -9.752 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.316 -8.795 -11.004 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.213 -6.417 -9.792 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.378 -3.788 -10.823 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.857 -3.912 -10.355 1.00 0.00 H new ATOM 1481 N GLY A 96 7.382 -10.754 -7.708 1.00 0.00 N ATOM 1482 CA GLY A 96 7.567 -12.120 -7.243 1.00 0.00 C ATOM 1483 C GLY A 96 6.313 -12.691 -6.591 1.00 0.00 C ATOM 1484 O GLY A 96 6.034 -13.887 -6.671 1.00 0.00 O ATOM 0 H GLY A 96 7.821 -10.077 -7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.854 -12.751 -8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.389 -12.149 -6.528 1.00 0.00 H new ATOM 1488 N CYS A 97 5.528 -11.833 -5.962 1.00 0.00 N ATOM 1489 CA CYS A 97 4.339 -12.189 -5.214 1.00 0.00 C ATOM 1490 C CYS A 97 3.126 -12.247 -6.124 1.00 0.00 C ATOM 1491 O CYS A 97 2.166 -12.956 -5.812 1.00 0.00 O ATOM 1492 CB CYS A 97 4.142 -11.190 -4.077 1.00 0.00 C ATOM 1493 SG CYS A 97 5.201 -11.550 -2.657 1.00 0.00 S ATOM 0 H CYS A 97 5.711 -10.830 -5.960 1.00 0.00 H new ATOM 0 HA CYS A 97 4.464 -13.184 -4.786 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.353 -10.184 -4.439 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.099 -11.203 -3.762 1.00 0.00 H new ATOM 1498 N GLU A 98 3.192 -11.584 -7.280 1.00 0.00 N ATOM 1499 CA GLU A 98 2.261 -11.803 -8.370 1.00 0.00 C ATOM 1500 C GLU A 98 2.308 -13.270 -8.844 1.00 0.00 C ATOM 1501 O GLU A 98 1.354 -13.754 -9.460 1.00 0.00 O ATOM 1502 CB GLU A 98 2.636 -10.941 -9.574 1.00 0.00 C ATOM 1503 CG GLU A 98 2.479 -9.436 -9.367 1.00 0.00 C ATOM 1504 CD GLU A 98 2.811 -8.678 -10.663 1.00 0.00 C ATOM 1505 OE1 GLU A 98 3.896 -8.922 -11.239 1.00 0.00 O ATOM 1506 OE2 GLU A 98 1.965 -7.900 -11.156 1.00 0.00 O ATOM 0 H GLU A 98 3.900 -10.877 -7.480 1.00 0.00 H new ATOM 0 HA GLU A 98 1.269 -11.548 -7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.672 -11.149 -9.842 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.021 -11.242 -10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.459 -9.210 -9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.137 -9.102 -8.565 1.00 0.00 H new ATOM 1513 N LYS A 99 3.448 -13.953 -8.643 1.00 0.00 N ATOM 1514 CA LYS A 99 3.719 -15.285 -9.178 1.00 0.00 C ATOM 1515 C LYS A 99 3.075 -16.344 -8.296 1.00 0.00 C ATOM 1516 O LYS A 99 2.307 -17.181 -8.776 1.00 0.00 O ATOM 1517 CB LYS A 99 5.210 -15.591 -9.309 1.00 0.00 C ATOM 1518 CG LYS A 99 6.034 -14.477 -9.913 1.00 0.00 C ATOM 1519 CD LYS A 99 5.646 -14.060 -11.317 1.00 0.00 C ATOM 1520 CE LYS A 99 6.021 -15.087 -12.375 1.00 0.00 C ATOM 1521 NZ LYS A 99 5.956 -14.470 -13.713 1.00 0.00 N ATOM 0 H LYS A 99 4.220 -13.580 -8.091 1.00 0.00 H new ATOM 0 HA LYS A 99 3.291 -15.303 -10.180 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.607 -15.823 -8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.331 -16.486 -9.920 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.965 -13.605 -9.263 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.079 -14.786 -9.921 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.570 -13.888 -11.353 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.129 -13.112 -11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.026 -15.466 -12.187 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.344 -15.940 -12.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.213 -15.175 -14.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.990 -14.129 -13.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.619 -13.670 -13.759 1.00 0.00 H new ATOM 1535 N SER A 100 3.463 -16.347 -7.020 1.00 0.00 N ATOM 1536 CA SER A 100 3.062 -17.335 -6.034 1.00 0.00 C ATOM 1537 C SER A 100 1.550 -17.261 -5.805 1.00 0.00 C ATOM 1538 O SER A 100 0.883 -18.297 -5.727 1.00 0.00 O ATOM 1539 CB SER A 100 3.898 -17.114 -4.764 1.00 0.00 C ATOM 1540 OG SER A 100 3.996 -15.734 -4.427 1.00 0.00 O ATOM 0 H SER A 100 4.086 -15.635 -6.638 1.00 0.00 H new ATOM 0 HA SER A 100 3.257 -18.350 -6.380 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.449 -17.659 -3.934 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.897 -17.524 -4.911 1.00 0.00 H new ATOM 0 HG SER A 100 4.216 -15.644 -3.476 1.00 0.00 H new ATOM 1546 N THR A 101 0.996 -16.048 -5.765 1.00 0.00 N ATOM 1547 CA THR A 101 -0.438 -15.818 -5.711 1.00 0.00 C ATOM 1548 C THR A 101 -1.080 -16.376 -6.994 1.00 0.00 C ATOM 1549 O THR A 101 -0.666 -15.999 -8.094 1.00 0.00 O ATOM 1550 CB THR A 101 -0.696 -14.311 -5.545 1.00 0.00 C ATOM 1551 OG1 THR A 101 0.037 -13.804 -4.448 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.165 -13.998 -5.280 1.00 0.00 C ATOM 0 H THR A 101 1.545 -15.188 -5.770 1.00 0.00 H new ATOM 0 HA THR A 101 -0.886 -16.330 -4.860 1.00 0.00 H new ATOM 0 HB THR A 101 -0.388 -13.848 -6.482 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.888 -13.436 -4.765 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.294 -12.921 -5.170 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.769 -14.352 -6.115 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.484 -14.496 -4.365 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.095 -17.258 -6.917 1.00 0.00 N ATOM 1561 CA PRO A 102 -2.829 -17.663 -8.106 1.00 0.00 C ATOM 1562 C PRO A 102 -3.592 -16.441 -8.625 1.00 0.00 C ATOM 1563 O PRO A 102 -4.211 -15.722 -7.833 1.00 0.00 O ATOM 1564 CB PRO A 102 -3.745 -18.805 -7.661 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.988 -18.521 -6.181 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.721 -17.795 -5.718 1.00 0.00 C ATOM 0 HA PRO A 102 -2.199 -18.014 -8.924 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.678 -18.813 -8.225 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.274 -19.777 -7.810 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.875 -17.904 -6.035 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -4.145 -19.442 -5.620 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.965 -16.997 -5.016 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.048 -18.479 -5.201 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.526 -16.225 -9.943 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.181 -15.171 -10.700 1.00 0.00 C ATOM 1576 C ALA A 103 -5.681 -15.342 -10.520 1.00 0.00 C ATOM 1577 O ALA A 103 -6.295 -16.232 -11.116 1.00 0.00 O ATOM 1578 CB ALA A 103 -3.766 -15.239 -12.172 1.00 0.00 C ATOM 0 H ALA A 103 -2.970 -16.831 -10.546 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.885 -14.186 -10.340 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.264 -14.444 -12.727 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.686 -15.116 -12.252 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.052 -16.206 -12.587 1.00 0.00 H new ATOM 1584 N ASN A 104 -6.207 -14.574 -9.580 1.00 0.00 N ATOM 1585 CA ASN A 104 -7.564 -14.687 -9.086 1.00 0.00 C ATOM 1586 C ASN A 104 -8.509 -14.021 -10.075 1.00 0.00 C ATOM 1587 O ASN A 104 -8.181 -12.987 -10.657 1.00 0.00 O ATOM 1588 CB ASN A 104 -7.666 -13.989 -7.725 1.00 0.00 C ATOM 1589 CG ASN A 104 -8.764 -14.533 -6.843 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -9.932 -14.589 -7.208 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -8.404 -14.964 -5.653 1.00 0.00 N ATOM 0 H ASN A 104 -5.679 -13.829 -9.125 1.00 0.00 H new ATOM 0 HA ASN A 104 -7.833 -15.737 -8.974 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.713 -14.086 -7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -7.835 -12.924 -7.885 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.102 -15.352 -5.019 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.427 -14.910 -5.365 1.00 0.00 H new ATOM 1598 N ASP A 105 -9.713 -14.566 -10.188 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.814 -14.006 -10.949 1.00 0.00 C ATOM 1600 C ASP A 105 -11.267 -12.632 -10.433 1.00 0.00 C ATOM 1601 O ASP A 105 -11.961 -11.900 -11.142 1.00 0.00 O ATOM 1602 CB ASP A 105 -11.981 -14.989 -10.889 1.00 0.00 C ATOM 1603 CG ASP A 105 -13.123 -14.550 -11.793 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -12.899 -14.325 -13.008 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -14.276 -14.508 -11.315 1.00 0.00 O ATOM 0 H ASP A 105 -9.956 -15.446 -9.732 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.472 -13.852 -11.973 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.639 -15.980 -11.187 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.338 -15.070 -9.862 1.00 0.00 H new ATOM 1610 N ASP A 106 -10.878 -12.286 -9.200 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.186 -11.036 -8.514 1.00 0.00 C ATOM 1612 C ASP A 106 -9.890 -10.256 -8.293 1.00 0.00 C ATOM 1613 O ASP A 106 -9.022 -10.706 -7.533 1.00 0.00 O ATOM 1614 CB ASP A 106 -11.815 -11.344 -7.152 1.00 0.00 C ATOM 1615 CG ASP A 106 -12.490 -10.132 -6.515 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -12.002 -8.989 -6.682 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -13.495 -10.356 -5.802 1.00 0.00 O ATOM 0 H ASP A 106 -10.309 -12.909 -8.627 1.00 0.00 H new ATOM 0 HA ASP A 106 -11.880 -10.450 -9.117 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.549 -12.141 -7.270 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.044 -11.718 -6.479 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.722 -9.094 -8.936 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.488 -8.326 -8.829 1.00 0.00 C ATOM 1624 C LYS A 107 -8.236 -7.875 -7.403 1.00 0.00 C ATOM 1625 O LYS A 107 -7.075 -7.787 -7.010 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.500 -7.102 -9.764 1.00 0.00 C ATOM 1627 CG LYS A 107 -7.158 -6.971 -10.490 1.00 0.00 C ATOM 1628 CD LYS A 107 -7.163 -7.840 -11.755 1.00 0.00 C ATOM 1629 CE LYS A 107 -7.255 -6.951 -12.997 1.00 0.00 C ATOM 1630 NZ LYS A 107 -5.951 -6.368 -13.370 1.00 0.00 N ATOM 0 H LYS A 107 -10.430 -8.669 -9.535 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.679 -8.990 -9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.306 -7.200 -10.491 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.699 -6.198 -9.188 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.978 -5.929 -10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.346 -7.278 -9.831 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.256 -8.444 -11.796 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.005 -8.531 -11.729 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.640 -7.537 -13.832 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.970 -6.149 -12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -6.065 -5.774 -14.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -5.593 -5.787 -12.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.274 -7.132 -13.572 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.286 -7.615 -6.618 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.120 -7.254 -5.221 1.00 0.00 C ATOM 1646 C CYS A 108 -8.439 -8.400 -4.478 1.00 0.00 C ATOM 1647 O CYS A 108 -7.450 -8.207 -3.774 1.00 0.00 O ATOM 1648 CB CYS A 108 -10.473 -6.974 -4.566 1.00 0.00 C ATOM 1649 SG CYS A 108 -11.393 -5.540 -5.159 1.00 0.00 S ATOM 0 H CYS A 108 -10.256 -7.650 -6.933 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.509 -6.353 -5.169 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.101 -7.856 -4.696 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.312 -6.853 -3.495 1.00 0.00 H new ATOM 1654 N ILE A 109 -8.991 -9.602 -4.609 1.00 0.00 N ATOM 1655 CA ILE A 109 -8.591 -10.752 -3.816 1.00 0.00 C ATOM 1656 C ILE A 109 -7.202 -11.237 -4.252 1.00 0.00 C ATOM 1657 O ILE A 109 -6.389 -11.613 -3.402 1.00 0.00 O ATOM 1658 CB ILE A 109 -9.700 -11.822 -3.900 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.040 -11.243 -3.387 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.274 -13.046 -3.090 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.209 -12.209 -3.530 1.00 0.00 C ATOM 0 H ILE A 109 -9.736 -9.804 -5.276 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.485 -10.492 -2.763 1.00 0.00 H new ATOM 0 HB ILE A 109 -9.849 -12.124 -4.937 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.931 -10.969 -2.338 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -11.265 -10.328 -3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.052 -13.807 -3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.346 -13.447 -3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.120 -12.758 -2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.117 -11.740 -3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.343 -12.464 -4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.004 -13.115 -2.960 1.00 0.00 H new ATOM 1673 N TRP A 110 -6.914 -11.192 -5.554 1.00 0.00 N ATOM 1674 CA TRP A 110 -5.557 -11.313 -6.076 1.00 0.00 C ATOM 1675 C TRP A 110 -4.631 -10.324 -5.368 1.00 0.00 C ATOM 1676 O TRP A 110 -3.679 -10.753 -4.725 1.00 0.00 O ATOM 1677 CB TRP A 110 -5.505 -11.092 -7.593 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.139 -11.276 -8.165 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.488 -12.451 -8.285 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.217 -10.261 -8.645 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.236 -12.243 -8.830 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.015 -10.902 -9.068 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -3.282 -8.858 -8.753 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -0.939 -10.179 -9.602 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -2.204 -8.122 -9.267 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.046 -8.779 -9.703 1.00 0.00 C ATOM 0 H TRP A 110 -7.622 -11.070 -6.278 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.219 -12.331 -5.880 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.192 -11.785 -8.079 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -5.855 -10.085 -7.820 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -3.887 -13.413 -7.997 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.563 -12.983 -9.030 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -4.175 -8.341 -8.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.044 -10.687 -9.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.267 -7.045 -9.327 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.230 -8.207 -10.119 1.00 0.00 H new ATOM 1697 N THR A 111 -4.921 -9.026 -5.452 1.00 0.00 N ATOM 1698 CA THR A 111 -4.091 -7.950 -4.923 1.00 0.00 C ATOM 1699 C THR A 111 -3.812 -8.134 -3.425 1.00 0.00 C ATOM 1700 O THR A 111 -2.671 -7.960 -2.990 1.00 0.00 O ATOM 1701 CB THR A 111 -4.773 -6.614 -5.270 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.785 -6.467 -6.674 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.118 -5.381 -4.653 1.00 0.00 C ATOM 0 H THR A 111 -5.769 -8.686 -5.906 1.00 0.00 H new ATOM 0 HA THR A 111 -3.103 -7.962 -5.384 1.00 0.00 H new ATOM 0 HB THR A 111 -5.776 -6.665 -4.846 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.641 -6.787 -7.029 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.667 -4.489 -4.953 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.132 -5.467 -3.566 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.087 -5.306 -4.998 1.00 0.00 H new ATOM 1711 N LEU A 112 -4.797 -8.548 -2.616 1.00 0.00 N ATOM 1712 CA LEU A 112 -4.556 -8.855 -1.219 1.00 0.00 C ATOM 1713 C LEU A 112 -3.629 -10.055 -1.080 1.00 0.00 C ATOM 1714 O LEU A 112 -2.761 -10.035 -0.217 1.00 0.00 O ATOM 1715 CB LEU A 112 -5.886 -9.050 -0.506 1.00 0.00 C ATOM 1716 CG LEU A 112 -5.650 -9.206 1.006 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -6.613 -8.329 1.792 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -5.805 -10.679 1.336 1.00 0.00 C ATOM 0 H LEU A 112 -5.764 -8.675 -2.915 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.044 -8.020 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.539 -8.198 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.393 -9.932 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.650 -8.876 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.430 -8.454 2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.461 -7.285 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.639 -8.619 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.644 -10.832 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.809 -11.008 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.073 -11.257 0.773 1.00 0.00 H new ATOM 1730 N GLY A 113 -3.783 -11.080 -1.913 1.00 0.00 N ATOM 1731 CA GLY A 113 -2.846 -12.192 -2.020 1.00 0.00 C ATOM 1732 C GLY A 113 -1.411 -11.710 -2.218 1.00 0.00 C ATOM 1733 O GLY A 113 -0.553 -12.031 -1.391 1.00 0.00 O ATOM 0 H GLY A 113 -4.579 -11.162 -2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -2.903 -12.803 -1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.133 -12.830 -2.856 1.00 0.00 H new ATOM 1737 N VAL A 114 -1.165 -10.888 -3.243 1.00 0.00 N ATOM 1738 CA VAL A 114 0.143 -10.292 -3.520 1.00 0.00 C ATOM 1739 C VAL A 114 0.640 -9.574 -2.247 1.00 0.00 C ATOM 1740 O VAL A 114 1.719 -9.874 -1.741 1.00 0.00 O ATOM 1741 CB VAL A 114 0.071 -9.367 -4.759 1.00 0.00 C ATOM 1742 CG1 VAL A 114 1.465 -8.875 -5.160 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -0.503 -10.098 -5.985 1.00 0.00 C ATOM 0 H VAL A 114 -1.883 -10.614 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 114 0.871 -11.064 -3.771 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.574 -8.536 -4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 114 1.385 -8.227 -6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.906 -8.317 -4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 114 2.098 -9.730 -5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.537 -9.414 -6.833 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.131 -10.950 -6.231 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.511 -10.448 -5.761 1.00 0.00 H new ATOM 1753 N ALA A 115 -0.180 -8.699 -1.653 1.00 0.00 N ATOM 1754 CA ALA A 115 0.149 -7.948 -0.440 1.00 0.00 C ATOM 1755 C ALA A 115 0.188 -8.790 0.853 1.00 0.00 C ATOM 1756 O ALA A 115 0.552 -8.275 1.915 1.00 0.00 O ATOM 1757 CB ALA A 115 -0.846 -6.793 -0.296 1.00 0.00 C ATOM 0 H ALA A 115 -1.112 -8.490 -2.012 1.00 0.00 H new ATOM 0 HA ALA A 115 1.168 -7.583 -0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.614 -6.223 0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -0.775 -6.141 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.858 -7.191 -0.223 1.00 0.00 H new ATOM 1763 N THR A 116 -0.201 -10.065 0.815 1.00 0.00 N ATOM 1764 CA THR A 116 -0.001 -11.022 1.899 1.00 0.00 C ATOM 1765 C THR A 116 1.398 -11.602 1.742 1.00 0.00 C ATOM 1766 O THR A 116 2.175 -11.595 2.702 1.00 0.00 O ATOM 1767 CB THR A 116 -1.078 -12.133 1.849 1.00 0.00 C ATOM 1768 OG1 THR A 116 -2.396 -11.612 1.865 1.00 0.00 O ATOM 1769 CG2 THR A 116 -0.977 -13.109 3.017 1.00 0.00 C ATOM 0 H THR A 116 -0.676 -10.469 0.008 1.00 0.00 H new ATOM 0 HA THR A 116 -0.096 -10.533 2.868 1.00 0.00 H new ATOM 0 HB THR A 116 -0.883 -12.650 0.910 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.601 -11.214 0.993 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.757 -13.865 2.928 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.000 -13.592 3.004 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.101 -12.568 3.955 1.00 0.00 H new ATOM 1777 N CYS A 117 1.706 -12.062 0.526 1.00 0.00 N ATOM 1778 CA CYS A 117 2.995 -12.594 0.147 1.00 0.00 C ATOM 1779 C CYS A 117 4.096 -11.575 0.432 1.00 0.00 C ATOM 1780 O CYS A 117 5.095 -11.969 1.033 1.00 0.00 O ATOM 1781 CB CYS A 117 2.942 -13.030 -1.320 1.00 0.00 C ATOM 1782 SG CYS A 117 4.542 -13.388 -2.079 1.00 0.00 S ATOM 0 H CYS A 117 1.033 -12.069 -0.240 1.00 0.00 H new ATOM 0 HA CYS A 117 3.236 -13.474 0.744 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.316 -13.919 -1.395 1.00 0.00 H new ATOM 0 HB3 CYS A 117 2.452 -12.246 -1.897 1.00 0.00 H new ATOM 1787 N PHE A 118 3.916 -10.292 0.072 1.00 0.00 N ATOM 1788 CA PHE A 118 4.934 -9.268 0.249 1.00 0.00 C ATOM 1789 C PHE A 118 5.470 -9.264 1.691 1.00 0.00 C ATOM 1790 O PHE A 118 6.653 -9.497 1.942 1.00 0.00 O ATOM 1791 CB PHE A 118 4.327 -7.924 -0.198 1.00 0.00 C ATOM 1792 CG PHE A 118 5.244 -6.713 -0.201 1.00 0.00 C ATOM 1793 CD1 PHE A 118 6.599 -6.833 0.131 1.00 0.00 C ATOM 1794 CD2 PHE A 118 4.764 -5.453 -0.594 1.00 0.00 C ATOM 1795 CE1 PHE A 118 7.463 -5.743 0.059 1.00 0.00 C ATOM 1796 CE2 PHE A 118 5.619 -4.339 -0.607 1.00 0.00 C ATOM 1797 CZ PHE A 118 6.967 -4.476 -0.268 1.00 0.00 C ATOM 0 H PHE A 118 3.054 -9.946 -0.350 1.00 0.00 H new ATOM 0 HA PHE A 118 5.810 -9.469 -0.368 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.932 -8.051 -1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 118 3.479 -7.704 0.451 1.00 0.00 H new ATOM 0 HD1 PHE A 118 6.982 -7.791 0.450 1.00 0.00 H new ATOM 0 HD2 PHE A 118 3.731 -5.340 -0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.517 -5.876 0.256 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.231 -3.369 -0.881 1.00 0.00 H new ATOM 0 HZ PHE A 118 7.619 -3.615 -0.258 1.00 0.00 H new ATOM 1807 N LYS A 119 4.594 -9.049 2.663 1.00 0.00 N ATOM 1808 CA LYS A 119 4.897 -8.983 4.080 1.00 0.00 C ATOM 1809 C LYS A 119 5.724 -10.182 4.562 1.00 0.00 C ATOM 1810 O LYS A 119 6.651 -10.027 5.356 1.00 0.00 O ATOM 1811 CB LYS A 119 3.547 -8.890 4.807 1.00 0.00 C ATOM 1812 CG LYS A 119 3.569 -7.730 5.823 1.00 0.00 C ATOM 1813 CD LYS A 119 2.358 -7.591 6.761 1.00 0.00 C ATOM 1814 CE LYS A 119 2.219 -8.810 7.684 1.00 0.00 C ATOM 1815 NZ LYS A 119 1.707 -8.475 9.033 1.00 0.00 N ATOM 0 H LYS A 119 3.602 -8.909 2.471 1.00 0.00 H new ATOM 0 HA LYS A 119 5.519 -8.114 4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.746 -8.735 4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.336 -9.828 5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.462 -7.838 6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.675 -6.798 5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.464 -6.688 7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 119 1.450 -7.475 6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 119 1.549 -9.533 7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.191 -9.294 7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.638 -9.342 9.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 2.357 -7.808 9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 0.766 -8.040 8.949 1.00 0.00 H new ATOM 1829 N ALA A 120 5.394 -11.377 4.074 1.00 0.00 N ATOM 1830 CA ALA A 120 6.133 -12.594 4.400 1.00 0.00 C ATOM 1831 C ALA A 120 7.550 -12.622 3.795 1.00 0.00 C ATOM 1832 O ALA A 120 8.443 -13.219 4.386 1.00 0.00 O ATOM 1833 CB ALA A 120 5.321 -13.819 3.973 1.00 0.00 C ATOM 0 H ALA A 120 4.608 -11.528 3.442 1.00 0.00 H new ATOM 0 HA ALA A 120 6.274 -12.612 5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.875 -14.726 4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.366 -13.824 4.499 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.143 -13.781 2.898 1.00 0.00 H new ATOM 1839 N GLU A 121 7.809 -11.972 2.661 1.00 0.00 N ATOM 1840 CA GLU A 121 9.161 -11.856 2.105 1.00 0.00 C ATOM 1841 C GLU A 121 9.978 -10.818 2.886 1.00 0.00 C ATOM 1842 O GLU A 121 11.156 -11.034 3.158 1.00 0.00 O ATOM 1843 CB GLU A 121 9.095 -11.469 0.626 1.00 0.00 C ATOM 1844 CG GLU A 121 8.473 -12.542 -0.285 1.00 0.00 C ATOM 1845 CD GLU A 121 9.377 -13.739 -0.588 1.00 0.00 C ATOM 1846 OE1 GLU A 121 10.513 -13.826 -0.078 1.00 0.00 O ATOM 1847 OE2 GLU A 121 8.926 -14.633 -1.342 1.00 0.00 O ATOM 0 H GLU A 121 7.091 -11.511 2.101 1.00 0.00 H new ATOM 0 HA GLU A 121 9.654 -12.824 2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.519 -10.549 0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.104 -11.252 0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.558 -12.906 0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 121 8.186 -12.075 -1.227 1.00 0.00 H new ATOM 1854 N ILE A 122 9.370 -9.714 3.339 1.00 0.00 N ATOM 1855 CA ILE A 122 9.990 -8.790 4.289 1.00 0.00 C ATOM 1856 C ILE A 122 10.481 -9.552 5.538 1.00 0.00 C ATOM 1857 O ILE A 122 11.537 -9.231 6.078 1.00 0.00 O ATOM 1858 CB ILE A 122 8.987 -7.644 4.593 1.00 0.00 C ATOM 1859 CG1 ILE A 122 8.766 -6.791 3.327 1.00 0.00 C ATOM 1860 CG2 ILE A 122 9.360 -6.800 5.827 1.00 0.00 C ATOM 1861 CD1 ILE A 122 7.841 -5.582 3.544 1.00 0.00 C ATOM 0 H ILE A 122 8.430 -9.438 3.054 1.00 0.00 H new ATOM 0 HA ILE A 122 10.883 -8.330 3.866 1.00 0.00 H new ATOM 0 HB ILE A 122 8.039 -8.106 4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 122 9.732 -6.437 2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 122 8.345 -7.422 2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 122 8.612 -6.021 5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 122 9.395 -7.440 6.709 1.00 0.00 H new ATOM 0 HG23 ILE A 122 10.337 -6.341 5.672 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.735 -5.032 2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.862 -5.928 3.875 1.00 0.00 H new ATOM 0 HD13 ILE A 122 8.270 -4.927 4.303 1.00 0.00 H new ATOM 1873 N HIS A 123 9.764 -10.592 5.973 1.00 0.00 N ATOM 1874 CA HIS A 123 10.130 -11.452 7.103 1.00 0.00 C ATOM 1875 C HIS A 123 11.315 -12.396 6.796 1.00 0.00 C ATOM 1876 O HIS A 123 11.899 -12.990 7.710 1.00 0.00 O ATOM 1877 CB HIS A 123 8.867 -12.241 7.468 1.00 0.00 C ATOM 1878 CG HIS A 123 8.805 -12.872 8.831 1.00 0.00 C ATOM 1879 ND1 HIS A 123 8.250 -14.103 9.078 1.00 0.00 N ATOM 1880 CD2 HIS A 123 9.147 -12.316 10.035 1.00 0.00 C ATOM 1881 CE1 HIS A 123 8.257 -14.295 10.402 1.00 0.00 C ATOM 1882 NE2 HIS A 123 8.813 -13.246 11.036 1.00 0.00 N ATOM 0 H HIS A 123 8.885 -10.868 5.535 1.00 0.00 H new ATOM 0 HA HIS A 123 10.479 -10.839 7.934 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.013 -11.571 7.370 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.739 -13.030 6.727 1.00 0.00 H new ATOM 0 HD2 HIS A 123 9.591 -11.343 10.188 1.00 0.00 H new ATOM 0 HE1 HIS A 123 7.869 -15.174 10.896 1.00 0.00 H new ATOM 0 HE2 HIS A 123 8.962 -13.146 12.040 1.00 0.00 H new ATOM 1890 N LYS A 124 11.672 -12.566 5.518 1.00 0.00 N ATOM 1891 CA LYS A 124 12.872 -13.281 5.058 1.00 0.00 C ATOM 1892 C LYS A 124 14.057 -12.332 4.883 1.00 0.00 C ATOM 1893 O LYS A 124 15.209 -12.757 5.030 1.00 0.00 O ATOM 1894 CB LYS A 124 12.590 -14.010 3.733 1.00 0.00 C ATOM 1895 CG LYS A 124 11.634 -15.198 3.910 1.00 0.00 C ATOM 1896 CD LYS A 124 11.183 -15.720 2.542 1.00 0.00 C ATOM 1897 CE LYS A 124 10.391 -17.014 2.706 1.00 0.00 C ATOM 1898 NZ LYS A 124 9.917 -17.552 1.415 1.00 0.00 N ATOM 0 H LYS A 124 11.115 -12.197 4.747 1.00 0.00 H new ATOM 0 HA LYS A 124 13.131 -14.012 5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.163 -13.307 3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 124 13.530 -14.364 3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.130 -15.994 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.767 -14.893 4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 124 10.569 -14.970 2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 124 12.052 -15.895 1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.015 -17.759 3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 124 9.536 -16.833 3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.385 -18.430 1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.299 -16.854 0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 10.733 -17.751 0.801 1.00 0.00 H new ATOM 1912 N LEU A 125 13.813 -11.057 4.570 1.00 0.00 N ATOM 1913 CA LEU A 125 14.867 -10.054 4.554 1.00 0.00 C ATOM 1914 C LEU A 125 15.419 -9.853 5.963 1.00 0.00 C ATOM 1915 O LEU A 125 14.797 -10.161 6.978 1.00 0.00 O ATOM 1916 CB LEU A 125 14.363 -8.712 3.999 1.00 0.00 C ATOM 1917 CG LEU A 125 14.274 -8.673 2.462 1.00 0.00 C ATOM 1918 CD1 LEU A 125 13.392 -7.521 1.970 1.00 0.00 C ATOM 1919 CD2 LEU A 125 15.697 -8.516 1.896 1.00 0.00 C ATOM 0 H LEU A 125 12.890 -10.699 4.324 1.00 0.00 H new ATOM 0 HA LEU A 125 15.658 -10.415 3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.378 -8.503 4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 125 15.028 -7.917 4.336 1.00 0.00 H new ATOM 0 HG LEU A 125 13.819 -9.601 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 125 13.356 -7.530 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 125 12.384 -7.639 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.808 -6.573 2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 125 15.654 -8.486 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 125 16.136 -7.590 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 125 16.310 -9.360 2.212 1.00 0.00 H new ATOM 1931 N ASN A 126 16.608 -9.268 5.986 1.00 0.00 N ATOM 1932 CA ASN A 126 17.395 -8.898 7.149 1.00 0.00 C ATOM 1933 C ASN A 126 17.074 -7.496 7.669 1.00 0.00 C ATOM 1934 O ASN A 126 17.667 -7.068 8.657 1.00 0.00 O ATOM 1935 CB ASN A 126 18.867 -8.917 6.727 1.00 0.00 C ATOM 1936 CG ASN A 126 19.141 -7.903 5.625 1.00 0.00 C ATOM 1937 OD1 ASN A 126 18.787 -8.127 4.465 1.00 0.00 O ATOM 1938 ND2 ASN A 126 19.713 -6.770 5.965 1.00 0.00 N ATOM 0 H ASN A 126 17.084 -9.020 5.119 1.00 0.00 H new ATOM 0 HA ASN A 126 17.168 -9.603 7.949 1.00 0.00 H new ATOM 0 HB2 ASN A 126 19.497 -8.699 7.589 1.00 0.00 H new ATOM 0 HB3 ASN A 126 19.135 -9.915 6.380 1.00 0.00 H new ATOM 0 HD21 ASN A 126 19.874 -6.049 5.262 1.00 0.00 H new ATOM 0 HD22 ASN A 126 19.996 -6.612 6.932 1.00 0.00 H new ATOM 1945 N TRP A 127 16.205 -6.759 6.980 1.00 0.00 N ATOM 1946 CA TRP A 127 15.800 -5.404 7.343 1.00 0.00 C ATOM 1947 C TRP A 127 14.279 -5.306 7.301 1.00 0.00 C ATOM 1948 O TRP A 127 13.606 -6.295 6.984 1.00 0.00 O ATOM 1949 CB TRP A 127 16.481 -4.382 6.424 1.00 0.00 C ATOM 1950 CG TRP A 127 16.117 -4.448 4.974 1.00 0.00 C ATOM 1951 CD1 TRP A 127 16.504 -5.404 4.100 1.00 0.00 C ATOM 1952 CD2 TRP A 127 15.272 -3.530 4.217 1.00 0.00 C ATOM 1953 NE1 TRP A 127 15.965 -5.139 2.860 1.00 0.00 N ATOM 1954 CE2 TRP A 127 15.133 -4.045 2.897 1.00 0.00 C ATOM 1955 CE3 TRP A 127 14.602 -2.322 4.511 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 14.312 -3.441 1.940 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 13.818 -1.670 3.541 1.00 0.00 C ATOM 1958 CH2 TRP A 127 13.657 -2.243 2.265 1.00 0.00 C ATOM 0 H TRP A 127 15.752 -7.098 6.131 1.00 0.00 H new ATOM 0 HA TRP A 127 16.121 -5.175 8.359 1.00 0.00 H new ATOM 0 HB2 TRP A 127 16.246 -3.383 6.790 1.00 0.00 H new ATOM 0 HB3 TRP A 127 17.560 -4.508 6.512 1.00 0.00 H new ATOM 0 HD1 TRP A 127 17.138 -6.246 4.337 1.00 0.00 H new ATOM 0 HE1 TRP A 127 16.159 -5.685 2.021 1.00 0.00 H new ATOM 0 HE3 TRP A 127 14.693 -1.891 5.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.184 -3.889 0.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 13.340 -0.730 3.775 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.027 -1.759 1.533 1.00 0.00 H new ATOM 1969 N ALA A 128 13.734 -4.136 7.639 1.00 0.00 N ATOM 1970 CA ALA A 128 12.299 -3.898 7.737 1.00 0.00 C ATOM 1971 C ALA A 128 11.974 -2.467 7.284 1.00 0.00 C ATOM 1972 O ALA A 128 12.206 -1.541 8.068 1.00 0.00 O ATOM 1973 CB ALA A 128 11.829 -4.125 9.181 1.00 0.00 C ATOM 0 H ALA A 128 14.293 -3.311 7.856 1.00 0.00 H new ATOM 0 HA ALA A 128 11.774 -4.597 7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.756 -3.945 9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.044 -5.152 9.476 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.353 -3.439 9.846 1.00 0.00 H new ATOM 1979 N PRO A 129 11.422 -2.255 6.074 1.00 0.00 N ATOM 1980 CA PRO A 129 10.990 -0.941 5.616 1.00 0.00 C ATOM 1981 C PRO A 129 10.035 -0.312 6.622 1.00 0.00 C ATOM 1982 O PRO A 129 9.301 -1.026 7.317 1.00 0.00 O ATOM 1983 CB PRO A 129 10.273 -1.143 4.276 1.00 0.00 C ATOM 1984 CG PRO A 129 10.545 -2.587 3.874 1.00 0.00 C ATOM 1985 CD PRO A 129 11.144 -3.276 5.087 1.00 0.00 C ATOM 0 HA PRO A 129 11.846 -0.275 5.508 1.00 0.00 H new ATOM 0 HB2 PRO A 129 9.203 -0.959 4.373 1.00 0.00 H new ATOM 0 HB3 PRO A 129 10.648 -0.450 3.523 1.00 0.00 H new ATOM 0 HG2 PRO A 129 9.624 -3.082 3.564 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.230 -2.630 3.028 1.00 0.00 H new ATOM 0 HD2 PRO A 129 10.453 -4.018 5.487 1.00 0.00 H new ATOM 0 HD3 PRO A 129 12.057 -3.805 4.815 1.00 0.00 H new ATOM 1993 N SER A 130 9.957 1.018 6.650 1.00 0.00 N ATOM 1994 CA SER A 130 8.774 1.642 7.207 1.00 0.00 C ATOM 1995 C SER A 130 7.605 1.229 6.316 1.00 0.00 C ATOM 1996 O SER A 130 7.769 1.086 5.101 1.00 0.00 O ATOM 1997 CB SER A 130 8.893 3.161 7.216 1.00 0.00 C ATOM 1998 OG SER A 130 10.175 3.636 7.601 1.00 0.00 O ATOM 0 H SER A 130 10.673 1.658 6.306 1.00 0.00 H new ATOM 0 HA SER A 130 8.635 1.324 8.240 1.00 0.00 H new ATOM 0 HB2 SER A 130 8.660 3.540 6.221 1.00 0.00 H new ATOM 0 HB3 SER A 130 8.146 3.570 7.896 1.00 0.00 H new ATOM 0 HG SER A 130 10.180 4.616 7.583 1.00 0.00 H new ATOM 2004 N MET A 131 6.415 1.088 6.885 1.00 0.00 N ATOM 2005 CA MET A 131 5.263 0.686 6.095 1.00 0.00 C ATOM 2006 C MET A 131 4.938 1.709 5.027 1.00 0.00 C ATOM 2007 O MET A 131 4.545 1.329 3.936 1.00 0.00 O ATOM 2008 CB MET A 131 4.047 0.469 6.978 1.00 0.00 C ATOM 2009 CG MET A 131 4.039 -0.979 7.436 1.00 0.00 C ATOM 2010 SD MET A 131 2.484 -1.527 8.151 1.00 0.00 S ATOM 2011 CE MET A 131 2.312 -0.361 9.527 1.00 0.00 C ATOM 0 H MET A 131 6.225 1.244 7.875 1.00 0.00 H new ATOM 0 HA MET A 131 5.522 -0.254 5.608 1.00 0.00 H new ATOM 0 HB2 MET A 131 4.078 1.138 7.838 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.134 0.698 6.429 1.00 0.00 H new ATOM 0 HG2 MET A 131 4.278 -1.617 6.585 1.00 0.00 H new ATOM 0 HG3 MET A 131 4.831 -1.118 8.171 1.00 0.00 H new ATOM 0 HE1 MET A 131 1.493 -0.678 10.173 1.00 0.00 H new ATOM 0 HE2 MET A 131 3.238 -0.337 10.101 1.00 0.00 H new ATOM 0 HE3 MET A 131 2.101 0.634 9.136 1.00 0.00 H new ATOM 2021 N ASP A 132 5.145 2.992 5.295 1.00 0.00 N ATOM 2022 CA ASP A 132 4.983 4.038 4.295 1.00 0.00 C ATOM 2023 C ASP A 132 5.805 3.742 3.043 1.00 0.00 C ATOM 2024 O ASP A 132 5.318 4.012 1.953 1.00 0.00 O ATOM 2025 CB ASP A 132 5.359 5.397 4.879 1.00 0.00 C ATOM 2026 CG ASP A 132 4.320 5.850 5.896 1.00 0.00 C ATOM 2027 OD1 ASP A 132 4.277 5.234 6.991 1.00 0.00 O ATOM 2028 OD2 ASP A 132 3.567 6.800 5.598 1.00 0.00 O ATOM 0 H ASP A 132 5.430 3.336 6.212 1.00 0.00 H new ATOM 0 HA ASP A 132 3.933 4.064 4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 132 6.338 5.336 5.354 1.00 0.00 H new ATOM 0 HB3 ASP A 132 5.438 6.133 4.079 1.00 0.00 H new ATOM 2033 N VAL A 133 6.998 3.143 3.170 1.00 0.00 N ATOM 2034 CA VAL A 133 7.750 2.632 2.030 1.00 0.00 C ATOM 2035 C VAL A 133 7.038 1.394 1.491 1.00 0.00 C ATOM 2036 O VAL A 133 6.514 1.463 0.393 1.00 0.00 O ATOM 2037 CB VAL A 133 9.225 2.348 2.388 1.00 0.00 C ATOM 2038 CG1 VAL A 133 10.015 1.808 1.192 1.00 0.00 C ATOM 2039 CG2 VAL A 133 9.914 3.615 2.904 1.00 0.00 C ATOM 0 H VAL A 133 7.462 3.003 4.067 1.00 0.00 H new ATOM 0 HA VAL A 133 7.782 3.393 1.250 1.00 0.00 H new ATOM 0 HB VAL A 133 9.213 1.587 3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 133 11.047 1.623 1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 133 9.564 0.877 0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 133 9.997 2.539 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 133 10.952 3.390 3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 133 9.882 4.386 2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 133 9.399 3.972 3.796 1.00 0.00 H new ATOM 2049 N ALA A 134 6.991 0.280 2.234 1.00 0.00 N ATOM 2050 CA ALA A 134 6.508 -1.004 1.715 1.00 0.00 C ATOM 2051 C ALA A 134 5.128 -0.869 1.071 1.00 0.00 C ATOM 2052 O ALA A 134 4.939 -1.240 -0.081 1.00 0.00 O ATOM 2053 CB ALA A 134 6.497 -2.052 2.833 1.00 0.00 C ATOM 0 H ALA A 134 7.286 0.245 3.210 1.00 0.00 H new ATOM 0 HA ALA A 134 7.193 -1.334 0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.137 -3.002 2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 134 7.507 -2.180 3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.839 -1.720 3.636 1.00 0.00 H new ATOM 2059 N VAL A 135 4.162 -0.333 1.806 1.00 0.00 N ATOM 2060 CA VAL A 135 2.830 -0.054 1.306 1.00 0.00 C ATOM 2061 C VAL A 135 2.933 0.944 0.139 1.00 0.00 C ATOM 2062 O VAL A 135 2.319 0.703 -0.891 1.00 0.00 O ATOM 2063 CB VAL A 135 1.915 0.412 2.466 1.00 0.00 C ATOM 2064 CG1 VAL A 135 0.466 0.573 1.987 1.00 0.00 C ATOM 2065 CG2 VAL A 135 1.913 -0.575 3.658 1.00 0.00 C ATOM 0 H VAL A 135 4.289 -0.077 2.785 1.00 0.00 H new ATOM 0 HA VAL A 135 2.361 -0.953 0.907 1.00 0.00 H new ATOM 0 HB VAL A 135 2.322 1.367 2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.158 0.901 2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.427 1.315 1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.098 -0.382 1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.255 -0.198 4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 135 1.557 -1.549 3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 135 2.925 -0.674 4.050 1.00 0.00 H new ATOM 2075 N GLY A 136 3.700 2.033 0.258 1.00 0.00 N ATOM 2076 CA GLY A 136 3.878 3.028 -0.799 1.00 0.00 C ATOM 2077 C GLY A 136 4.373 2.428 -2.119 1.00 0.00 C ATOM 2078 O GLY A 136 3.914 2.860 -3.174 1.00 0.00 O ATOM 0 H GLY A 136 4.222 2.249 1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 136 2.930 3.537 -0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 136 4.588 3.783 -0.462 1.00 0.00 H new ATOM 2082 N GLU A 137 5.274 1.444 -2.080 1.00 0.00 N ATOM 2083 CA GLU A 137 5.899 0.859 -3.259 1.00 0.00 C ATOM 2084 C GLU A 137 4.924 -0.104 -3.931 1.00 0.00 C ATOM 2085 O GLU A 137 4.610 0.098 -5.100 1.00 0.00 O ATOM 2086 CB GLU A 137 7.243 0.196 -2.914 1.00 0.00 C ATOM 2087 CG GLU A 137 8.271 1.222 -2.373 1.00 0.00 C ATOM 2088 CD GLU A 137 9.687 1.133 -2.959 1.00 0.00 C ATOM 2089 OE1 GLU A 137 9.886 1.568 -4.120 1.00 0.00 O ATOM 2090 OE2 GLU A 137 10.589 0.731 -2.188 1.00 0.00 O ATOM 0 H GLU A 137 5.594 1.025 -1.207 1.00 0.00 H new ATOM 0 HA GLU A 137 6.131 1.651 -3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 137 7.083 -0.584 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.647 -0.289 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 137 7.885 2.224 -2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.339 1.102 -1.292 1.00 0.00 H new ATOM 2097 N ILE A 138 4.338 -1.072 -3.201 1.00 0.00 N ATOM 2098 CA ILE A 138 3.400 -2.002 -3.844 1.00 0.00 C ATOM 2099 C ILE A 138 2.192 -1.247 -4.419 1.00 0.00 C ATOM 2100 O ILE A 138 1.576 -1.703 -5.380 1.00 0.00 O ATOM 2101 CB ILE A 138 2.995 -3.183 -2.918 1.00 0.00 C ATOM 2102 CG1 ILE A 138 2.170 -4.279 -3.645 1.00 0.00 C ATOM 2103 CG2 ILE A 138 2.233 -2.697 -1.668 1.00 0.00 C ATOM 2104 CD1 ILE A 138 2.027 -5.631 -2.903 1.00 0.00 C ATOM 0 H ILE A 138 4.491 -1.226 -2.204 1.00 0.00 H new ATOM 0 HA ILE A 138 3.920 -2.466 -4.682 1.00 0.00 H new ATOM 0 HB ILE A 138 3.936 -3.637 -2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.172 -3.886 -3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.630 -4.467 -4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 138 1.968 -3.553 -1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.866 -2.017 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.326 -2.177 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.432 -6.316 -3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 138 3.015 -6.060 -2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.534 -5.470 -1.944 1.00 0.00 H new ATOM 2116 N LEU A 139 1.818 -0.095 -3.851 1.00 0.00 N ATOM 2117 CA LEU A 139 0.839 0.810 -4.440 1.00 0.00 C ATOM 2118 C LEU A 139 1.378 1.470 -5.704 1.00 0.00 C ATOM 2119 O LEU A 139 0.667 1.550 -6.690 1.00 0.00 O ATOM 2120 CB LEU A 139 0.468 1.893 -3.435 1.00 0.00 C ATOM 2121 CG LEU A 139 -0.357 1.394 -2.234 1.00 0.00 C ATOM 2122 CD1 LEU A 139 -0.542 2.542 -1.243 1.00 0.00 C ATOM 2123 CD2 LEU A 139 -1.725 0.833 -2.591 1.00 0.00 C ATOM 0 H LEU A 139 2.193 0.233 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.040 0.222 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.383 2.356 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.097 2.671 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 139 0.210 0.567 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.125 2.196 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.433 2.887 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.066 3.363 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.233 0.507 -1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.318 1.605 -3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.606 -0.015 -3.265 1.00 0.00 H new ATOM 2135 N ALA A 140 2.606 1.967 -5.709 1.00 0.00 N ATOM 2136 CA ALA A 140 3.218 2.486 -6.929 1.00 0.00 C ATOM 2137 C ALA A 140 3.251 1.465 -8.085 1.00 0.00 C ATOM 2138 O ALA A 140 3.425 1.888 -9.230 1.00 0.00 O ATOM 2139 CB ALA A 140 4.612 3.055 -6.635 1.00 0.00 C ATOM 0 H ALA A 140 3.201 2.023 -4.882 1.00 0.00 H new ATOM 0 HA ALA A 140 2.577 3.296 -7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 140 5.051 3.437 -7.557 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.529 3.865 -5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 140 5.248 2.268 -6.229 1.00 0.00 H new ATOM 2145 N GLU A 141 3.078 0.167 -7.829 1.00 0.00 N ATOM 2146 CA GLU A 141 3.317 -0.914 -8.776 1.00 0.00 C ATOM 2147 C GLU A 141 2.024 -1.628 -9.199 1.00 0.00 C ATOM 2148 O GLU A 141 1.699 -1.667 -10.391 1.00 0.00 O ATOM 2149 CB GLU A 141 4.312 -1.879 -8.118 1.00 0.00 C ATOM 2150 CG GLU A 141 5.700 -1.237 -8.012 1.00 0.00 C ATOM 2151 CD GLU A 141 6.690 -2.078 -7.228 1.00 0.00 C ATOM 2152 OE1 GLU A 141 6.731 -1.982 -5.984 1.00 0.00 O ATOM 2153 OE2 GLU A 141 7.534 -2.675 -7.926 1.00 0.00 O ATOM 0 H GLU A 141 2.755 -0.168 -6.921 1.00 0.00 H new ATOM 0 HA GLU A 141 3.728 -0.509 -9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 141 3.957 -2.155 -7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 141 4.374 -2.798 -8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 141 6.092 -1.067 -9.015 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.606 -0.261 -7.537 1.00 0.00 H new ATOM 2160 N VAL A 142 1.311 -2.240 -8.247 1.00 0.00 N ATOM 2161 CA VAL A 142 0.250 -3.203 -8.537 1.00 0.00 C ATOM 2162 C VAL A 142 -0.922 -2.505 -9.235 1.00 0.00 C ATOM 2163 O VAL A 142 -1.441 -3.065 -10.228 1.00 0.00 O ATOM 2164 CB VAL A 142 -0.128 -3.979 -7.259 1.00 0.00 C ATOM 2165 CG1 VAL A 142 -1.591 -4.430 -7.176 1.00 0.00 C ATOM 2166 CG2 VAL A 142 0.795 -5.189 -7.083 1.00 0.00 C ATOM 0 H VAL A 142 1.457 -2.079 -7.250 1.00 0.00 H new ATOM 0 HA VAL A 142 0.601 -3.957 -9.242 1.00 0.00 H new ATOM 0 HB VAL A 142 0.003 -3.264 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.754 -4.966 -6.241 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.243 -3.558 -7.212 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -1.817 -5.087 -8.015 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.518 -5.729 -6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.696 -5.850 -7.944 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.828 -4.850 -7.002 1.00 0.00 H new