USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 675 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 31 LYS NZ :NH3+ -149:sc= 0.26 (180deg=0) USER MOD Set 1.2: A 41 TYR OH : rot 30:sc= 0.247 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.727 X(o=-0.73,f=-0.83) USER MOD Single : A 13 MET CE :methyl -169:sc= -3.87 (180deg=-3.98) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -150:sc= -0.448 (180deg=-4.42!) USER MOD Single : A 18 GLN : amide:sc= -3.21! C(o=-3.2!,f=-9.7!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 CYS SG : rot -33:sc= -2.19 USER MOD Single : A 26 THR OG1 : rot 61:sc= 1.24 USER MOD Single : A 27 GLN : amide:sc= -2.02! C(o=-2!,f=-2.5!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.51 K(o=-3.5,f=-0.59) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 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 48 LYS NZ :NH3+ -167:sc= -0.0456 (180deg=-0.225) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -5.24! C(o=-5.2!,f=-3.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-3.7!) USER MOD Single : A 56 CYS SG : rot -43:sc= -5.23! USER MOD Single : A 61 SER OG : rot 15:sc= 0.409 USER MOD Single : A 63 ASN : amide:sc= -1.82 K(o=-1.8,f=-0.33) USER MOD Single : A 66 SER OG : rot -54:sc= 1.19 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -0.168! C(o=-0.17!,f=-5.9!) USER MOD Single : A 72 THR OG1 : rot 76:sc= 1.12 USER MOD Single : A 73 LYS NZ :NH3+ 144:sc= -2.82! (180deg=-5.04!) USER MOD Single : A 74 HIS : no HD1:sc= -2.43! C(o=-2.4!,f=-5.8!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0485 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 137:sc= 0.994 (180deg=-1.54) USER MOD Single : A 90 SER OG : rot 58:sc= -0.17 USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 5.232 6.064 7.758 1.00 0.00 N ATOM 90 CA ALA A 6 4.797 4.833 7.109 1.00 0.00 C ATOM 91 C ALA A 6 5.012 3.633 8.022 1.00 0.00 C ATOM 92 O ALA A 6 6.025 2.941 7.926 1.00 0.00 O ATOM 93 CB ALA A 6 5.539 4.639 5.795 1.00 0.00 C ATOM 0 HA ALA A 6 3.730 4.915 6.901 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.205 3.716 5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.335 5.481 5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.610 4.580 5.987 1.00 0.00 H new ATOM 99 N VAL A 7 4.056 3.394 8.914 1.00 0.00 N ATOM 100 CA VAL A 7 4.148 2.278 9.848 1.00 0.00 C ATOM 101 C VAL A 7 2.944 1.347 9.722 1.00 0.00 C ATOM 102 O VAL A 7 1.857 1.770 9.326 1.00 0.00 O ATOM 103 CB VAL A 7 4.253 2.771 11.306 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.419 1.597 12.261 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.406 3.753 11.454 1.00 0.00 C ATOM 0 H VAL A 7 3.211 3.957 9.010 1.00 0.00 H new ATOM 0 HA VAL A 7 5.054 1.729 9.591 1.00 0.00 H new ATOM 0 HB VAL A 7 3.328 3.287 11.562 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.491 1.967 13.284 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.558 0.934 12.175 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.327 1.048 12.009 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.466 4.091 12.489 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.339 3.262 11.178 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.240 4.610 10.802 1.00 0.00 H new ATOM 115 N ILE A 8 3.150 0.078 10.062 1.00 0.00 N ATOM 116 CA ILE A 8 2.088 -0.918 9.990 1.00 0.00 C ATOM 117 C ILE A 8 1.366 -1.039 11.329 1.00 0.00 C ATOM 118 O ILE A 8 1.906 -0.667 12.371 1.00 0.00 O ATOM 119 CB ILE A 8 2.646 -2.298 9.591 1.00 0.00 C ATOM 120 CG1 ILE A 8 3.446 -2.192 8.293 1.00 0.00 C ATOM 121 CG2 ILE A 8 1.515 -3.307 9.438 1.00 0.00 C ATOM 122 CD1 ILE A 8 4.021 -3.511 7.825 1.00 0.00 C ATOM 0 H ILE A 8 4.045 -0.285 10.391 1.00 0.00 H new ATOM 0 HA ILE A 8 1.383 -0.585 9.228 1.00 0.00 H new ATOM 0 HB ILE A 8 3.311 -2.644 10.382 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.802 -1.788 7.511 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.260 -1.481 8.435 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.927 -4.276 9.156 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.981 -3.401 10.384 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.826 -2.967 8.665 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.575 -3.358 6.899 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.691 -3.907 8.588 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.211 -4.219 7.650 1.00 0.00 H new ATOM 134 N LYS A 9 0.145 -1.562 11.297 1.00 0.00 N ATOM 135 CA LYS A 9 -0.645 -1.732 12.511 1.00 0.00 C ATOM 136 C LYS A 9 -0.935 -3.205 12.775 1.00 0.00 C ATOM 137 O LYS A 9 -0.627 -3.725 13.849 1.00 0.00 O ATOM 138 CB LYS A 9 -1.958 -0.955 12.407 1.00 0.00 C ATOM 139 CG LYS A 9 -2.825 -1.064 13.651 1.00 0.00 C ATOM 140 CD LYS A 9 -4.137 -0.314 13.486 1.00 0.00 C ATOM 141 CE LYS A 9 -4.991 -0.405 14.740 1.00 0.00 C ATOM 142 NZ LYS A 9 -6.282 0.321 14.587 1.00 0.00 N ATOM 0 H LYS A 9 -0.319 -1.875 10.444 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.063 -1.340 13.345 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.736 0.095 12.219 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.521 -1.320 11.548 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.029 -2.114 13.862 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.283 -0.666 14.509 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.933 0.732 13.258 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.687 -0.723 12.639 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.188 -1.452 14.969 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.440 0.008 15.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.835 0.235 15.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.095 1.325 14.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.820 -0.089 13.797 1.00 0.00 H new ATOM 156 N ASN A 10 -1.531 -3.875 11.794 1.00 0.00 N ATOM 157 CA ASN A 10 -1.861 -5.288 11.927 1.00 0.00 C ATOM 158 C ASN A 10 -1.821 -5.981 10.569 1.00 0.00 C ATOM 159 O ASN A 10 -1.887 -5.329 9.528 1.00 0.00 O ATOM 160 CB ASN A 10 -3.246 -5.452 12.556 1.00 0.00 C ATOM 161 CG ASN A 10 -3.639 -6.906 12.727 1.00 0.00 C ATOM 162 OD1 ASN A 10 -2.966 -7.665 13.427 1.00 0.00 O ATOM 163 ND2 ASN A 10 -4.731 -7.304 12.086 1.00 0.00 N ATOM 0 H ASN A 10 -1.795 -3.462 10.899 1.00 0.00 H new ATOM 0 HA ASN A 10 -1.119 -5.752 12.576 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.261 -4.959 13.528 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.986 -4.950 11.933 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.043 -8.272 12.162 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.258 -6.642 11.517 1.00 0.00 H new ATOM 170 N ALA A 11 -1.707 -7.304 10.590 1.00 0.00 N ATOM 171 CA ALA A 11 -1.656 -8.082 9.359 1.00 0.00 C ATOM 172 C ALA A 11 -1.604 -9.577 9.655 1.00 0.00 C ATOM 173 O ALA A 11 -0.913 -10.015 10.575 1.00 0.00 O ATOM 174 CB ALA A 11 -0.452 -7.666 8.529 1.00 0.00 C ATOM 0 H ALA A 11 -1.648 -7.859 11.444 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.566 -7.883 8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.423 -8.253 7.611 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.530 -6.608 8.280 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.461 -7.839 9.100 1.00 0.00 H new ATOM 180 N ASP A 12 -2.336 -10.357 8.867 1.00 0.00 N ATOM 181 CA ASP A 12 -2.372 -11.803 9.042 1.00 0.00 C ATOM 182 C ASP A 12 -1.581 -12.502 7.941 1.00 0.00 C ATOM 183 O ASP A 12 -2.015 -13.517 7.397 1.00 0.00 O ATOM 184 CB ASP A 12 -3.817 -12.302 9.047 1.00 0.00 C ATOM 185 CG ASP A 12 -4.634 -11.698 10.171 1.00 0.00 C ATOM 186 OD1 ASP A 12 -4.762 -10.457 10.211 1.00 0.00 O ATOM 187 OD2 ASP A 12 -5.146 -12.467 11.013 1.00 0.00 O ATOM 0 H ASP A 12 -2.913 -10.011 8.100 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.912 -12.041 10.001 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.285 -12.062 8.092 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.823 -13.388 9.140 1.00 0.00 H new ATOM 192 N MET A 13 -0.415 -11.950 7.620 1.00 0.00 N ATOM 193 CA MET A 13 0.442 -12.515 6.587 1.00 0.00 C ATOM 194 C MET A 13 1.775 -12.959 7.177 1.00 0.00 C ATOM 195 O MET A 13 2.197 -12.463 8.221 1.00 0.00 O ATOM 196 CB MET A 13 0.674 -11.489 5.478 1.00 0.00 C ATOM 197 CG MET A 13 -0.555 -11.218 4.629 1.00 0.00 C ATOM 198 SD MET A 13 -1.130 -12.688 3.757 1.00 0.00 S ATOM 199 CE MET A 13 -2.529 -12.023 2.858 1.00 0.00 C ATOM 0 H MET A 13 -0.042 -11.110 8.062 1.00 0.00 H new ATOM 0 HA MET A 13 -0.056 -13.388 6.165 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.009 -10.553 5.925 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.480 -11.840 4.833 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.356 -10.840 5.265 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.327 -10.436 3.905 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.107 -12.841 2.427 1.00 0.00 H new ATOM 0 HE2 MET A 13 -3.161 -11.452 3.538 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.172 -11.371 2.061 1.00 0.00 H new ATOM 209 N SER A 14 2.432 -13.896 6.505 1.00 0.00 N ATOM 210 CA SER A 14 3.716 -14.407 6.966 1.00 0.00 C ATOM 211 C SER A 14 4.727 -13.278 7.134 1.00 0.00 C ATOM 212 O SER A 14 5.509 -13.278 8.084 1.00 0.00 O ATOM 213 CB SER A 14 4.256 -15.450 5.986 1.00 0.00 C ATOM 214 OG SER A 14 5.505 -15.959 6.420 1.00 0.00 O ATOM 0 H SER A 14 2.097 -14.317 5.639 1.00 0.00 H new ATOM 0 HA SER A 14 3.562 -14.877 7.937 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.541 -16.267 5.889 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.365 -15.003 4.998 1.00 0.00 H new ATOM 0 HG SER A 14 5.828 -16.625 5.777 1.00 0.00 H new ATOM 220 N GLU A 15 4.690 -12.320 6.201 1.00 0.00 N ATOM 221 CA GLU A 15 5.588 -11.153 6.205 1.00 0.00 C ATOM 222 C GLU A 15 5.933 -10.730 4.777 1.00 0.00 C ATOM 223 O GLU A 15 6.240 -9.561 4.513 1.00 0.00 O ATOM 224 CB GLU A 15 6.892 -11.424 6.971 1.00 0.00 C ATOM 225 CG GLU A 15 7.684 -12.606 6.433 1.00 0.00 C ATOM 226 CD GLU A 15 8.969 -12.846 7.203 1.00 0.00 C ATOM 227 OE1 GLU A 15 9.241 -12.089 8.159 1.00 0.00 O ATOM 228 OE2 GLU A 15 9.702 -13.793 6.851 1.00 0.00 O ATOM 0 H GLU A 15 4.036 -12.330 5.419 1.00 0.00 H new ATOM 0 HA GLU A 15 5.050 -10.352 6.712 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.517 -10.532 6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.656 -11.604 8.020 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.066 -13.503 6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.921 -12.432 5.383 1.00 0.00 H new ATOM 235 N ASP A 16 5.878 -11.685 3.855 1.00 0.00 N ATOM 236 CA ASP A 16 6.185 -11.413 2.457 1.00 0.00 C ATOM 237 C ASP A 16 5.235 -10.369 1.892 1.00 0.00 C ATOM 238 O ASP A 16 5.521 -9.740 0.875 1.00 0.00 O ATOM 239 CB ASP A 16 6.103 -12.700 1.633 1.00 0.00 C ATOM 240 CG ASP A 16 7.077 -13.756 2.113 1.00 0.00 C ATOM 241 OD1 ASP A 16 8.298 -13.492 2.090 1.00 0.00 O ATOM 242 OD2 ASP A 16 6.621 -14.849 2.509 1.00 0.00 O ATOM 0 H ASP A 16 5.624 -12.653 4.051 1.00 0.00 H new ATOM 0 HA ASP A 16 7.201 -11.023 2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.089 -13.096 1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.305 -12.472 0.587 1.00 0.00 H new ATOM 247 N MET A 17 4.105 -10.186 2.563 1.00 0.00 N ATOM 248 CA MET A 17 3.120 -9.215 2.133 1.00 0.00 C ATOM 249 C MET A 17 3.441 -7.847 2.682 1.00 0.00 C ATOM 250 O MET A 17 3.332 -6.855 1.970 1.00 0.00 O ATOM 251 CB MET A 17 1.720 -9.660 2.548 1.00 0.00 C ATOM 252 CG MET A 17 1.201 -10.849 1.756 1.00 0.00 C ATOM 253 SD MET A 17 1.128 -10.523 -0.016 1.00 0.00 S ATOM 254 CE MET A 17 0.002 -9.132 -0.058 1.00 0.00 C ATOM 0 H MET A 17 3.852 -10.700 3.407 1.00 0.00 H new ATOM 0 HA MET A 17 3.148 -9.151 1.045 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.728 -9.915 3.608 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.031 -8.824 2.427 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.844 -11.710 1.937 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.206 -11.113 2.114 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.553 -9.141 -0.996 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.695 -9.203 0.777 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.568 -8.204 0.019 1.00 0.00 H new ATOM 264 N GLN A 18 3.878 -7.787 3.925 1.00 0.00 N ATOM 265 CA GLN A 18 4.255 -6.504 4.498 1.00 0.00 C ATOM 266 C GLN A 18 5.421 -5.954 3.686 1.00 0.00 C ATOM 267 O GLN A 18 5.650 -4.746 3.635 1.00 0.00 O ATOM 268 CB GLN A 18 4.652 -6.605 5.983 1.00 0.00 C ATOM 269 CG GLN A 18 4.428 -7.968 6.620 1.00 0.00 C ATOM 270 CD GLN A 18 2.963 -8.351 6.716 1.00 0.00 C ATOM 271 OE1 GLN A 18 2.241 -8.365 5.721 1.00 0.00 O ATOM 272 NE2 GLN A 18 2.521 -8.676 7.925 1.00 0.00 N ATOM 0 H GLN A 18 3.980 -8.589 4.547 1.00 0.00 H new ATOM 0 HA GLN A 18 3.391 -5.841 4.456 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.706 -6.345 6.080 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.087 -5.861 6.545 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.957 -8.724 6.040 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.864 -7.971 7.619 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.155 -8.651 8.724 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.547 -8.951 8.055 1.00 0.00 H new ATOM 281 N GLN A 19 6.143 -6.863 3.024 1.00 0.00 N ATOM 282 CA GLN A 19 7.273 -6.481 2.194 1.00 0.00 C ATOM 283 C GLN A 19 6.792 -6.081 0.808 1.00 0.00 C ATOM 284 O GLN A 19 7.155 -5.024 0.291 1.00 0.00 O ATOM 285 CB GLN A 19 8.272 -7.636 2.098 1.00 0.00 C ATOM 286 CG GLN A 19 9.466 -7.328 1.217 1.00 0.00 C ATOM 287 CD GLN A 19 10.452 -8.479 1.142 1.00 0.00 C ATOM 288 OE1 GLN A 19 10.106 -9.578 0.707 1.00 0.00 O ATOM 289 NE2 GLN A 19 11.684 -8.231 1.567 1.00 0.00 N ATOM 0 H GLN A 19 5.960 -7.866 3.051 1.00 0.00 H new ATOM 0 HA GLN A 19 7.772 -5.626 2.650 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.623 -7.887 3.099 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.761 -8.517 1.710 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.118 -7.087 0.212 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.975 -6.443 1.599 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.925 -7.305 1.919 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.390 -8.967 1.541 1.00 0.00 H new ATOM 298 N ASP A 20 5.959 -6.928 0.221 1.00 0.00 N ATOM 299 CA ASP A 20 5.408 -6.662 -1.099 1.00 0.00 C ATOM 300 C ASP A 20 4.350 -5.565 -1.023 1.00 0.00 C ATOM 301 O ASP A 20 3.952 -5.002 -2.041 1.00 0.00 O ATOM 302 CB ASP A 20 4.804 -7.935 -1.696 1.00 0.00 C ATOM 303 CG ASP A 20 5.822 -9.050 -1.834 1.00 0.00 C ATOM 304 OD1 ASP A 20 6.997 -8.834 -1.466 1.00 0.00 O ATOM 305 OD2 ASP A 20 5.445 -10.142 -2.312 1.00 0.00 O ATOM 0 H ASP A 20 5.650 -7.806 0.639 1.00 0.00 H new ATOM 0 HA ASP A 20 6.218 -6.324 -1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.982 -8.274 -1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.382 -7.709 -2.675 1.00 0.00 H new ATOM 310 N ALA A 21 3.912 -5.255 0.191 1.00 0.00 N ATOM 311 CA ALA A 21 2.915 -4.217 0.402 1.00 0.00 C ATOM 312 C ALA A 21 3.592 -2.867 0.559 1.00 0.00 C ATOM 313 O ALA A 21 3.155 -1.870 -0.016 1.00 0.00 O ATOM 314 CB ALA A 21 2.060 -4.529 1.619 1.00 0.00 C ATOM 0 H ALA A 21 4.234 -5.710 1.045 1.00 0.00 H new ATOM 0 HA ALA A 21 2.262 -4.183 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.322 -3.739 1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.550 -5.481 1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.694 -4.591 2.503 1.00 0.00 H new ATOM 320 N VAL A 22 4.671 -2.844 1.334 1.00 0.00 N ATOM 321 CA VAL A 22 5.413 -1.612 1.552 1.00 0.00 C ATOM 322 C VAL A 22 6.103 -1.166 0.272 1.00 0.00 C ATOM 323 O VAL A 22 6.263 0.032 0.032 1.00 0.00 O ATOM 324 CB VAL A 22 6.457 -1.760 2.678 1.00 0.00 C ATOM 325 CG1 VAL A 22 7.276 -0.485 2.830 1.00 0.00 C ATOM 326 CG2 VAL A 22 5.776 -2.112 3.990 1.00 0.00 C ATOM 0 H VAL A 22 5.048 -3.659 1.818 1.00 0.00 H new ATOM 0 HA VAL A 22 4.690 -0.855 1.857 1.00 0.00 H new ATOM 0 HB VAL A 22 7.135 -2.570 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.005 -0.614 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.796 -0.273 1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.614 0.346 3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.527 -2.213 4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.074 -1.323 4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.238 -3.054 3.880 1.00 0.00 H new ATOM 336 N ASP A 23 6.498 -2.123 -0.565 1.00 0.00 N ATOM 337 CA ASP A 23 7.149 -1.773 -1.824 1.00 0.00 C ATOM 338 C ASP A 23 6.108 -1.514 -2.889 1.00 0.00 C ATOM 339 O ASP A 23 6.220 -0.561 -3.654 1.00 0.00 O ATOM 340 CB ASP A 23 8.152 -2.846 -2.267 1.00 0.00 C ATOM 341 CG ASP A 23 7.514 -4.197 -2.511 1.00 0.00 C ATOM 342 OD1 ASP A 23 6.285 -4.311 -2.351 1.00 0.00 O ATOM 343 OD2 ASP A 23 8.247 -5.144 -2.865 1.00 0.00 O ATOM 0 H ASP A 23 6.383 -3.123 -0.400 1.00 0.00 H new ATOM 0 HA ASP A 23 7.722 -0.859 -1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.648 -2.516 -3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.924 -2.949 -1.505 1.00 0.00 H new ATOM 348 N CYS A 24 5.065 -2.324 -2.908 1.00 0.00 N ATOM 349 CA CYS A 24 3.995 -2.109 -3.858 1.00 0.00 C ATOM 350 C CYS A 24 3.270 -0.822 -3.487 1.00 0.00 C ATOM 351 O CYS A 24 2.554 -0.248 -4.299 1.00 0.00 O ATOM 352 CB CYS A 24 3.026 -3.288 -3.872 1.00 0.00 C ATOM 353 SG CYS A 24 1.711 -3.145 -5.104 1.00 0.00 S ATOM 0 H CYS A 24 4.939 -3.123 -2.287 1.00 0.00 H new ATOM 0 HA CYS A 24 4.413 -2.023 -4.861 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.587 -4.204 -4.059 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.575 -3.386 -2.884 1.00 0.00 H new ATOM 0 HG CYS A 24 1.388 -1.894 -5.251 1.00 0.00 H new ATOM 359 N ALA A 25 3.492 -0.357 -2.251 1.00 0.00 N ATOM 360 CA ALA A 25 2.885 0.877 -1.780 1.00 0.00 C ATOM 361 C ALA A 25 3.772 2.057 -2.139 1.00 0.00 C ATOM 362 O ALA A 25 3.288 3.130 -2.502 1.00 0.00 O ATOM 363 CB ALA A 25 2.654 0.817 -0.276 1.00 0.00 C ATOM 0 H ALA A 25 4.088 -0.822 -1.566 1.00 0.00 H new ATOM 0 HA ALA A 25 1.918 1.004 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.199 1.749 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.990 -0.016 -0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.607 0.675 0.233 1.00 0.00 H new ATOM 369 N THR A 26 5.082 1.840 -2.056 1.00 0.00 N ATOM 370 CA THR A 26 6.049 2.874 -2.393 1.00 0.00 C ATOM 371 C THR A 26 6.065 3.090 -3.898 1.00 0.00 C ATOM 372 O THR A 26 6.080 4.224 -4.375 1.00 0.00 O ATOM 373 CB THR A 26 7.444 2.486 -1.897 1.00 0.00 C ATOM 374 OG1 THR A 26 7.444 2.305 -0.492 1.00 0.00 O ATOM 375 CG2 THR A 26 8.503 3.516 -2.227 1.00 0.00 C ATOM 0 H THR A 26 5.496 0.957 -1.758 1.00 0.00 H new ATOM 0 HA THR A 26 5.758 3.803 -1.902 1.00 0.00 H new ATOM 0 HB THR A 26 7.688 1.558 -2.415 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.820 1.587 -0.255 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.468 3.180 -1.848 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.562 3.643 -3.308 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.242 4.467 -1.763 1.00 0.00 H new ATOM 383 N GLN A 27 6.032 1.989 -4.642 1.00 0.00 N ATOM 384 CA GLN A 27 6.012 2.065 -6.096 1.00 0.00 C ATOM 385 C GLN A 27 4.639 2.507 -6.569 1.00 0.00 C ATOM 386 O GLN A 27 4.521 3.263 -7.531 1.00 0.00 O ATOM 387 CB GLN A 27 6.395 0.722 -6.722 1.00 0.00 C ATOM 388 CG GLN A 27 7.898 0.504 -6.826 1.00 0.00 C ATOM 389 CD GLN A 27 8.605 0.592 -5.488 1.00 0.00 C ATOM 390 OE1 GLN A 27 8.381 -0.225 -4.598 1.00 0.00 O ATOM 391 NE2 GLN A 27 9.470 1.591 -5.342 1.00 0.00 N ATOM 0 H GLN A 27 6.019 1.041 -4.265 1.00 0.00 H new ATOM 0 HA GLN A 27 6.750 2.801 -6.416 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.960 -0.083 -6.129 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.957 0.657 -7.718 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.088 -0.475 -7.267 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.321 1.246 -7.503 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.625 2.247 -6.107 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.978 1.701 -4.465 1.00 0.00 H new ATOM 400 N ALA A 28 3.601 2.055 -5.874 1.00 0.00 N ATOM 401 CA ALA A 28 2.249 2.445 -6.230 1.00 0.00 C ATOM 402 C ALA A 28 2.072 3.943 -6.027 1.00 0.00 C ATOM 403 O ALA A 28 1.365 4.605 -6.784 1.00 0.00 O ATOM 404 CB ALA A 28 1.221 1.677 -5.415 1.00 0.00 C ATOM 0 H ALA A 28 3.671 1.427 -5.073 1.00 0.00 H new ATOM 0 HA ALA A 28 2.089 2.203 -7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.218 1.991 -5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.334 0.609 -5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.372 1.879 -4.355 1.00 0.00 H new ATOM 410 N MET A 29 2.738 4.472 -5.002 1.00 0.00 N ATOM 411 CA MET A 29 2.673 5.891 -4.698 1.00 0.00 C ATOM 412 C MET A 29 3.587 6.679 -5.628 1.00 0.00 C ATOM 413 O MET A 29 3.363 7.862 -5.881 1.00 0.00 O ATOM 414 CB MET A 29 3.067 6.135 -3.241 1.00 0.00 C ATOM 415 CG MET A 29 3.046 7.599 -2.845 1.00 0.00 C ATOM 416 SD MET A 29 3.511 7.862 -1.122 1.00 0.00 S ATOM 417 CE MET A 29 3.386 9.645 -1.005 1.00 0.00 C ATOM 0 H MET A 29 3.329 3.933 -4.369 1.00 0.00 H new ATOM 0 HA MET A 29 1.649 6.232 -4.849 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.388 5.582 -2.592 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.067 5.735 -3.072 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.727 8.155 -3.490 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.047 8.002 -3.013 1.00 0.00 H new ATOM 0 HE1 MET A 29 3.644 9.962 0.005 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.072 10.105 -1.716 1.00 0.00 H new ATOM 0 HE3 MET A 29 2.366 9.954 -1.233 1.00 0.00 H new ATOM 427 N GLU A 30 4.614 6.011 -6.144 1.00 0.00 N ATOM 428 CA GLU A 30 5.556 6.640 -7.051 1.00 0.00 C ATOM 429 C GLU A 30 5.007 6.620 -8.472 1.00 0.00 C ATOM 430 O GLU A 30 5.127 7.597 -9.213 1.00 0.00 O ATOM 431 CB GLU A 30 6.904 5.918 -6.996 1.00 0.00 C ATOM 432 CG GLU A 30 7.937 6.493 -7.945 1.00 0.00 C ATOM 433 CD GLU A 30 9.267 5.766 -7.871 1.00 0.00 C ATOM 434 OE1 GLU A 30 9.872 5.748 -6.777 1.00 0.00 O ATOM 435 OE2 GLU A 30 9.699 5.215 -8.904 1.00 0.00 O ATOM 0 H GLU A 30 4.812 5.030 -5.946 1.00 0.00 H new ATOM 0 HA GLU A 30 5.701 7.676 -6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.291 5.965 -5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.753 4.864 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.556 6.442 -8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.090 7.547 -7.714 1.00 0.00 H new ATOM 442 N LYS A 31 4.394 5.501 -8.837 1.00 0.00 N ATOM 443 CA LYS A 31 3.810 5.343 -10.165 1.00 0.00 C ATOM 444 C LYS A 31 2.397 5.922 -10.205 1.00 0.00 C ATOM 445 O LYS A 31 1.937 6.393 -11.244 1.00 0.00 O ATOM 446 CB LYS A 31 3.783 3.867 -10.565 1.00 0.00 C ATOM 447 CG LYS A 31 5.163 3.234 -10.644 1.00 0.00 C ATOM 448 CD LYS A 31 5.084 1.779 -11.077 1.00 0.00 C ATOM 449 CE LYS A 31 6.466 1.153 -11.177 1.00 0.00 C ATOM 450 NZ LYS A 31 6.401 -0.269 -11.612 1.00 0.00 N ATOM 0 H LYS A 31 4.288 4.687 -8.231 1.00 0.00 H new ATOM 0 HA LYS A 31 4.430 5.889 -10.876 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.179 3.315 -9.845 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.292 3.770 -11.533 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.780 3.791 -11.348 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.651 3.299 -9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.480 1.218 -10.364 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.582 1.712 -12.042 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.072 1.721 -11.883 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.963 1.214 -10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.192 -0.797 -11.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.501 -0.687 -11.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.464 -0.318 -12.649 1.00 0.00 H new ATOM 464 N TYR A 32 1.720 5.891 -9.061 1.00 0.00 N ATOM 465 CA TYR A 32 0.363 6.420 -8.952 1.00 0.00 C ATOM 466 C TYR A 32 0.247 7.322 -7.736 1.00 0.00 C ATOM 467 O TYR A 32 0.695 6.973 -6.645 1.00 0.00 O ATOM 468 CB TYR A 32 -0.658 5.282 -8.878 1.00 0.00 C ATOM 469 CG TYR A 32 -0.741 4.463 -10.146 1.00 0.00 C ATOM 470 CD1 TYR A 32 -1.111 5.049 -11.351 1.00 0.00 C ATOM 471 CD2 TYR A 32 -0.450 3.104 -10.140 1.00 0.00 C ATOM 472 CE1 TYR A 32 -1.188 4.306 -12.512 1.00 0.00 C ATOM 473 CE2 TYR A 32 -0.524 2.355 -11.299 1.00 0.00 C ATOM 474 CZ TYR A 32 -0.895 2.959 -12.482 1.00 0.00 C ATOM 475 OH TYR A 32 -0.970 2.215 -13.636 1.00 0.00 O ATOM 0 H TYR A 32 2.090 5.504 -8.193 1.00 0.00 H new ATOM 0 HA TYR A 32 0.149 7.009 -9.844 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.399 4.626 -8.047 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.641 5.700 -8.660 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.342 6.104 -11.379 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.162 2.626 -9.215 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.476 4.778 -13.440 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.292 1.300 -11.278 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.731 1.285 -13.442 1.00 0.00 H new ATOM 485 N ASN A 33 -0.349 8.489 -7.930 1.00 0.00 N ATOM 486 CA ASN A 33 -0.516 9.448 -6.852 1.00 0.00 C ATOM 487 C ASN A 33 -1.985 9.590 -6.476 1.00 0.00 C ATOM 488 O ASN A 33 -2.357 10.495 -5.728 1.00 0.00 O ATOM 489 CB ASN A 33 0.057 10.809 -7.261 1.00 0.00 C ATOM 490 CG ASN A 33 1.540 10.767 -7.613 1.00 0.00 C ATOM 491 OD1 ASN A 33 2.084 11.736 -8.139 1.00 0.00 O ATOM 492 ND2 ASN A 33 2.214 9.658 -7.304 1.00 0.00 N ATOM 0 H ASN A 33 -0.726 8.794 -8.828 1.00 0.00 H new ATOM 0 HA ASN A 33 0.027 9.081 -5.981 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.501 11.186 -8.118 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.094 11.517 -6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.212 9.596 -7.504 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.731 8.872 -6.868 1.00 0.00 H new ATOM 499 N ILE A 34 -2.819 8.694 -6.995 1.00 0.00 N ATOM 500 CA ILE A 34 -4.243 8.731 -6.705 1.00 0.00 C ATOM 501 C ILE A 34 -4.557 7.859 -5.492 1.00 0.00 C ATOM 502 O ILE A 34 -3.662 7.498 -4.730 1.00 0.00 O ATOM 503 CB ILE A 34 -5.084 8.237 -7.904 1.00 0.00 C ATOM 504 CG1 ILE A 34 -4.267 8.252 -9.198 1.00 0.00 C ATOM 505 CG2 ILE A 34 -6.349 9.076 -8.045 1.00 0.00 C ATOM 506 CD1 ILE A 34 -5.102 8.202 -10.463 1.00 0.00 C ATOM 0 H ILE A 34 -2.532 7.937 -7.616 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.503 9.769 -6.500 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.375 7.204 -7.713 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.654 9.153 -9.217 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.585 7.402 -9.193 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.931 8.717 -8.893 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.944 8.993 -7.135 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.078 10.119 -8.207 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.446 8.216 -11.333 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.696 7.288 -10.471 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.766 9.066 -10.495 1.00 0.00 H new ATOM 518 N GLU A 35 -5.829 7.512 -5.328 1.00 0.00 N ATOM 519 CA GLU A 35 -6.255 6.667 -4.225 1.00 0.00 C ATOM 520 C GLU A 35 -6.924 5.403 -4.753 1.00 0.00 C ATOM 521 O GLU A 35 -6.902 4.358 -4.102 1.00 0.00 O ATOM 522 CB GLU A 35 -7.208 7.426 -3.301 1.00 0.00 C ATOM 523 CG GLU A 35 -8.474 7.907 -3.994 1.00 0.00 C ATOM 524 CD GLU A 35 -9.405 8.656 -3.058 1.00 0.00 C ATOM 525 OE1 GLU A 35 -9.061 8.802 -1.866 1.00 0.00 O ATOM 526 OE2 GLU A 35 -10.480 9.096 -3.518 1.00 0.00 O ATOM 0 H GLU A 35 -6.583 7.806 -5.949 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.374 6.382 -3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.483 6.780 -2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.685 8.285 -2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.203 8.556 -4.827 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.001 7.051 -4.415 1.00 0.00 H new ATOM 533 N LYS A 36 -7.510 5.504 -5.944 1.00 0.00 N ATOM 534 CA LYS A 36 -8.174 4.370 -6.567 1.00 0.00 C ATOM 535 C LYS A 36 -7.201 3.588 -7.447 1.00 0.00 C ATOM 536 O LYS A 36 -7.450 2.430 -7.777 1.00 0.00 O ATOM 537 CB LYS A 36 -9.372 4.839 -7.395 1.00 0.00 C ATOM 538 CG LYS A 36 -9.003 5.805 -8.509 1.00 0.00 C ATOM 539 CD LYS A 36 -10.228 6.234 -9.303 1.00 0.00 C ATOM 540 CE LYS A 36 -11.248 6.936 -8.420 1.00 0.00 C ATOM 541 NZ LYS A 36 -12.449 7.363 -9.190 1.00 0.00 N ATOM 0 H LYS A 36 -7.536 6.362 -6.495 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.531 3.711 -5.776 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.866 3.969 -7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.094 5.319 -6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.517 6.684 -8.084 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.282 5.334 -9.177 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.924 6.901 -10.110 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.687 5.360 -9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.552 6.267 -7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.787 7.807 -7.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.120 7.837 -8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.163 8.021 -9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.904 6.529 -9.613 1.00 0.00 H new ATOM 555 N ASP A 37 -6.082 4.218 -7.810 1.00 0.00 N ATOM 556 CA ASP A 37 -5.078 3.561 -8.630 1.00 0.00 C ATOM 557 C ASP A 37 -4.064 2.861 -7.746 1.00 0.00 C ATOM 558 O ASP A 37 -3.484 1.851 -8.131 1.00 0.00 O ATOM 559 CB ASP A 37 -4.385 4.565 -9.551 1.00 0.00 C ATOM 560 CG ASP A 37 -5.336 5.159 -10.570 1.00 0.00 C ATOM 561 OD1 ASP A 37 -6.352 5.755 -10.157 1.00 0.00 O ATOM 562 OD2 ASP A 37 -5.064 5.030 -11.783 1.00 0.00 O ATOM 0 H ASP A 37 -5.854 5.177 -7.548 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.573 2.818 -9.255 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.951 5.366 -8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.562 4.072 -10.069 1.00 0.00 H new ATOM 567 N ILE A 38 -3.885 3.387 -6.541 1.00 0.00 N ATOM 568 CA ILE A 38 -2.974 2.785 -5.587 1.00 0.00 C ATOM 569 C ILE A 38 -3.605 1.509 -5.075 1.00 0.00 C ATOM 570 O ILE A 38 -2.936 0.506 -4.843 1.00 0.00 O ATOM 571 CB ILE A 38 -2.701 3.713 -4.389 1.00 0.00 C ATOM 572 CG1 ILE A 38 -2.328 5.110 -4.875 1.00 0.00 C ATOM 573 CG2 ILE A 38 -1.600 3.138 -3.511 1.00 0.00 C ATOM 574 CD1 ILE A 38 -1.105 5.134 -5.755 1.00 0.00 C ATOM 0 H ILE A 38 -4.358 4.226 -6.206 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.025 2.594 -6.088 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.610 3.788 -3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.170 5.532 -5.425 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.157 5.753 -4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.420 3.806 -2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.905 2.160 -3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.685 3.035 -4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.899 6.159 -6.063 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.251 4.743 -5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.279 4.518 -6.637 1.00 0.00 H new ATOM 586 N ALA A 39 -4.919 1.561 -4.939 1.00 0.00 N ATOM 587 CA ALA A 39 -5.687 0.421 -4.477 1.00 0.00 C ATOM 588 C ALA A 39 -5.944 -0.530 -5.630 1.00 0.00 C ATOM 589 O ALA A 39 -6.046 -1.742 -5.444 1.00 0.00 O ATOM 590 CB ALA A 39 -6.999 0.882 -3.861 1.00 0.00 C ATOM 0 H ALA A 39 -5.479 2.389 -5.144 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.116 -0.104 -3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.565 0.015 -3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.793 1.538 -3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.581 1.423 -4.607 1.00 0.00 H new ATOM 596 N ALA A 40 -6.026 0.037 -6.829 1.00 0.00 N ATOM 597 CA ALA A 40 -6.257 -0.751 -8.028 1.00 0.00 C ATOM 598 C ALA A 40 -4.946 -1.306 -8.566 1.00 0.00 C ATOM 599 O ALA A 40 -4.930 -2.296 -9.295 1.00 0.00 O ATOM 600 CB ALA A 40 -6.950 0.090 -9.089 1.00 0.00 C ATOM 0 H ALA A 40 -5.936 1.040 -6.993 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.905 -1.589 -7.769 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.116 -0.514 -9.981 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.908 0.442 -8.706 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.324 0.945 -9.342 1.00 0.00 H new ATOM 606 N TYR A 41 -3.845 -0.666 -8.187 1.00 0.00 N ATOM 607 CA TYR A 41 -2.523 -1.098 -8.628 1.00 0.00 C ATOM 608 C TYR A 41 -1.930 -2.095 -7.646 1.00 0.00 C ATOM 609 O TYR A 41 -1.128 -2.947 -8.018 1.00 0.00 O ATOM 610 CB TYR A 41 -1.586 0.098 -8.794 1.00 0.00 C ATOM 611 CG TYR A 41 -0.203 -0.279 -9.273 1.00 0.00 C ATOM 612 CD1 TYR A 41 -0.029 -1.013 -10.439 1.00 0.00 C ATOM 613 CD2 TYR A 41 0.927 0.097 -8.562 1.00 0.00 C ATOM 614 CE1 TYR A 41 1.234 -1.360 -10.883 1.00 0.00 C ATOM 615 CE2 TYR A 41 2.194 -0.246 -8.996 1.00 0.00 C ATOM 616 CZ TYR A 41 2.341 -0.974 -10.157 1.00 0.00 C ATOM 617 OH TYR A 41 3.599 -1.317 -10.594 1.00 0.00 O ATOM 0 H TYR A 41 -3.841 0.152 -7.577 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.635 -1.585 -9.596 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.028 0.800 -9.502 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.502 0.618 -7.840 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.894 -1.318 -11.009 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.815 0.668 -7.652 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.353 -1.930 -11.793 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.063 0.054 -8.429 1.00 0.00 H new ATOM 0 HH TYR A 41 3.600 -1.380 -11.572 1.00 0.00 H new ATOM 627 N ILE A 42 -2.349 -1.992 -6.394 1.00 0.00 N ATOM 628 CA ILE A 42 -1.880 -2.897 -5.362 1.00 0.00 C ATOM 629 C ILE A 42 -2.715 -4.161 -5.387 1.00 0.00 C ATOM 630 O ILE A 42 -2.217 -5.261 -5.138 1.00 0.00 O ATOM 631 CB ILE A 42 -1.960 -2.251 -3.961 1.00 0.00 C ATOM 632 CG1 ILE A 42 -1.022 -1.047 -3.876 1.00 0.00 C ATOM 633 CG2 ILE A 42 -1.610 -3.267 -2.882 1.00 0.00 C ATOM 634 CD1 ILE A 42 -1.368 -0.097 -2.752 1.00 0.00 C ATOM 0 H ILE A 42 -3.014 -1.289 -6.070 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.835 -3.131 -5.564 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.983 -1.911 -3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.000 -1.401 -3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.050 -0.506 -4.822 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.672 -2.793 -1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.310 -4.101 -2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.597 -3.635 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.663 0.735 -2.749 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.379 0.285 -2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.312 -0.624 -1.800 1.00 0.00 H new ATOM 646 N LYS A 43 -3.988 -4.002 -5.730 1.00 0.00 N ATOM 647 CA LYS A 43 -4.881 -5.140 -5.823 1.00 0.00 C ATOM 648 C LYS A 43 -4.617 -5.853 -7.134 1.00 0.00 C ATOM 649 O LYS A 43 -4.610 -7.082 -7.198 1.00 0.00 O ATOM 650 CB LYS A 43 -6.346 -4.704 -5.735 1.00 0.00 C ATOM 651 CG LYS A 43 -6.815 -3.913 -6.940 1.00 0.00 C ATOM 652 CD LYS A 43 -8.236 -3.404 -6.756 1.00 0.00 C ATOM 653 CE LYS A 43 -9.219 -4.548 -6.571 1.00 0.00 C ATOM 654 NZ LYS A 43 -10.616 -4.060 -6.403 1.00 0.00 N ATOM 0 H LYS A 43 -4.418 -3.103 -5.946 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.694 -5.814 -4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.974 -5.588 -5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.484 -4.100 -4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.144 -3.070 -7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.765 -4.540 -7.830 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.278 -2.744 -5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.526 -2.811 -7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.168 -5.213 -7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.932 -5.135 -5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.255 -4.871 -6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.671 -3.446 -5.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.899 -3.521 -7.246 1.00 0.00 H new ATOM 668 N LYS A 44 -4.363 -5.062 -8.174 1.00 0.00 N ATOM 669 CA LYS A 44 -4.062 -5.612 -9.487 1.00 0.00 C ATOM 670 C LYS A 44 -2.673 -6.233 -9.478 1.00 0.00 C ATOM 671 O LYS A 44 -2.407 -7.204 -10.187 1.00 0.00 O ATOM 672 CB LYS A 44 -4.145 -4.528 -10.561 1.00 0.00 C ATOM 673 CG LYS A 44 -3.829 -5.032 -11.960 1.00 0.00 C ATOM 674 CD LYS A 44 -3.923 -3.915 -12.988 1.00 0.00 C ATOM 675 CE LYS A 44 -3.610 -4.420 -14.389 1.00 0.00 C ATOM 676 NZ LYS A 44 -3.698 -3.334 -15.403 1.00 0.00 N ATOM 0 H LYS A 44 -4.360 -4.043 -8.130 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.799 -6.380 -9.720 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.147 -4.099 -10.556 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.453 -3.724 -10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.827 -5.460 -11.976 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.521 -5.831 -12.225 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.925 -3.486 -12.970 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.229 -3.117 -12.724 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.609 -4.851 -14.404 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.305 -5.218 -14.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.478 -3.719 -16.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.660 -2.940 -15.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.017 -2.584 -15.168 1.00 0.00 H new ATOM 690 N GLU A 45 -1.789 -5.667 -8.659 1.00 0.00 N ATOM 691 CA GLU A 45 -0.424 -6.171 -8.557 1.00 0.00 C ATOM 692 C GLU A 45 -0.393 -7.516 -7.843 1.00 0.00 C ATOM 693 O GLU A 45 0.393 -8.396 -8.195 1.00 0.00 O ATOM 694 CB GLU A 45 0.468 -5.166 -7.822 1.00 0.00 C ATOM 695 CG GLU A 45 1.893 -5.656 -7.611 1.00 0.00 C ATOM 696 CD GLU A 45 2.606 -5.958 -8.915 1.00 0.00 C ATOM 697 OE1 GLU A 45 2.124 -6.833 -9.665 1.00 0.00 O ATOM 698 OE2 GLU A 45 3.644 -5.322 -9.187 1.00 0.00 O ATOM 0 H GLU A 45 -1.992 -4.866 -8.061 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.041 -6.307 -9.568 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.493 -4.234 -8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.023 -4.939 -6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.455 -4.901 -7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.877 -6.554 -6.994 1.00 0.00 H new ATOM 705 N PHE A 46 -1.246 -7.671 -6.836 1.00 0.00 N ATOM 706 CA PHE A 46 -1.297 -8.914 -6.078 1.00 0.00 C ATOM 707 C PHE A 46 -2.214 -9.950 -6.730 1.00 0.00 C ATOM 708 O PHE A 46 -2.025 -11.150 -6.541 1.00 0.00 O ATOM 709 CB PHE A 46 -1.733 -8.647 -4.637 1.00 0.00 C ATOM 710 CG PHE A 46 -0.675 -7.967 -3.814 1.00 0.00 C ATOM 711 CD1 PHE A 46 0.583 -8.532 -3.685 1.00 0.00 C ATOM 712 CD2 PHE A 46 -0.935 -6.768 -3.171 1.00 0.00 C ATOM 713 CE1 PHE A 46 1.564 -7.916 -2.931 1.00 0.00 C ATOM 714 CE2 PHE A 46 0.042 -6.146 -2.414 1.00 0.00 C ATOM 715 CZ PHE A 46 1.292 -6.721 -2.294 1.00 0.00 C ATOM 0 H PHE A 46 -1.906 -6.957 -6.528 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.289 -9.330 -6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.631 -8.029 -4.645 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.000 -9.592 -4.164 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.800 -9.467 -4.180 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.911 -6.314 -3.261 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.541 -8.368 -2.840 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.173 -5.211 -1.917 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.056 -6.237 -1.703 1.00 0.00 H new ATOM 725 N ASP A 47 -3.202 -9.503 -7.501 1.00 0.00 N ATOM 726 CA ASP A 47 -4.109 -10.439 -8.160 1.00 0.00 C ATOM 727 C ASP A 47 -3.596 -10.829 -9.546 1.00 0.00 C ATOM 728 O ASP A 47 -4.094 -11.777 -10.154 1.00 0.00 O ATOM 729 CB ASP A 47 -5.528 -9.866 -8.270 1.00 0.00 C ATOM 730 CG ASP A 47 -5.622 -8.663 -9.190 1.00 0.00 C ATOM 731 OD1 ASP A 47 -5.101 -8.738 -10.323 1.00 0.00 O ATOM 732 OD2 ASP A 47 -6.246 -7.659 -8.790 1.00 0.00 O ATOM 0 H ASP A 47 -3.393 -8.518 -7.683 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.146 -11.334 -7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.199 -10.645 -8.632 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.875 -9.582 -7.277 1.00 0.00 H new ATOM 737 N LYS A 48 -2.611 -10.088 -10.050 1.00 0.00 N ATOM 738 CA LYS A 48 -2.055 -10.359 -11.373 1.00 0.00 C ATOM 739 C LYS A 48 -0.947 -11.417 -11.335 1.00 0.00 C ATOM 740 O LYS A 48 -0.466 -11.844 -12.384 1.00 0.00 O ATOM 741 CB LYS A 48 -1.518 -9.065 -11.990 1.00 0.00 C ATOM 742 CG LYS A 48 -0.907 -9.248 -13.370 1.00 0.00 C ATOM 743 CD LYS A 48 -1.903 -9.855 -14.344 1.00 0.00 C ATOM 744 CE LYS A 48 -1.286 -10.053 -15.719 1.00 0.00 C ATOM 745 NZ LYS A 48 -0.825 -8.768 -16.312 1.00 0.00 N ATOM 0 H LYS A 48 -2.184 -9.299 -9.565 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.863 -10.756 -11.988 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.330 -8.341 -12.056 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.767 -8.641 -11.324 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.567 -8.284 -13.749 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.029 -9.890 -13.298 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.252 -10.813 -13.959 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.776 -9.207 -14.425 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.444 -10.740 -15.643 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.017 -10.517 -16.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.617 -8.906 -17.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.570 -8.050 -16.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.035 -8.448 -15.822 1.00 0.00 H new ATOM 759 N LYS A 49 -0.537 -11.843 -10.138 1.00 0.00 N ATOM 760 CA LYS A 49 0.519 -12.850 -10.025 1.00 0.00 C ATOM 761 C LYS A 49 0.822 -13.199 -8.568 1.00 0.00 C ATOM 762 O LYS A 49 1.923 -12.953 -8.080 1.00 0.00 O ATOM 763 CB LYS A 49 1.797 -12.358 -10.713 1.00 0.00 C ATOM 764 CG LYS A 49 2.298 -11.022 -10.188 1.00 0.00 C ATOM 765 CD LYS A 49 3.585 -10.597 -10.877 1.00 0.00 C ATOM 766 CE LYS A 49 3.389 -10.437 -12.376 1.00 0.00 C ATOM 767 NZ LYS A 49 4.643 -10.009 -13.058 1.00 0.00 N ATOM 0 H LYS A 49 -0.912 -11.513 -9.249 1.00 0.00 H new ATOM 0 HA LYS A 49 0.160 -13.753 -10.519 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.580 -13.106 -10.584 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.612 -12.272 -11.784 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.534 -10.260 -10.342 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.466 -11.093 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.932 -9.655 -10.452 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.362 -11.338 -10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.049 -11.382 -12.801 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.605 -9.703 -12.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.467 -9.911 -14.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.954 -9.095 -12.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.384 -10.722 -12.901 1.00 0.00 H new ATOM 781 N TYR A 50 -0.155 -13.796 -7.890 1.00 0.00 N ATOM 782 CA TYR A 50 0.002 -14.202 -6.495 1.00 0.00 C ATOM 783 C TYR A 50 -1.208 -14.995 -6.023 1.00 0.00 C ATOM 784 O TYR A 50 -1.068 -15.906 -5.211 1.00 0.00 O ATOM 785 CB TYR A 50 0.222 -12.992 -5.580 1.00 0.00 C ATOM 786 CG TYR A 50 1.647 -12.485 -5.563 1.00 0.00 C ATOM 787 CD1 TYR A 50 2.687 -13.298 -5.130 1.00 0.00 C ATOM 788 CD2 TYR A 50 1.952 -11.196 -5.981 1.00 0.00 C ATOM 789 CE1 TYR A 50 3.991 -12.840 -5.112 1.00 0.00 C ATOM 790 CE2 TYR A 50 3.254 -10.731 -5.967 1.00 0.00 C ATOM 791 CZ TYR A 50 4.269 -11.557 -5.532 1.00 0.00 C ATOM 792 OH TYR A 50 5.566 -11.098 -5.516 1.00 0.00 O ATOM 0 H TYR A 50 -1.070 -14.011 -8.287 1.00 0.00 H new ATOM 0 HA TYR A 50 0.886 -14.838 -6.440 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.437 -12.184 -5.899 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.070 -13.259 -4.564 1.00 0.00 H new ATOM 0 HD1 TYR A 50 2.473 -14.305 -4.802 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.159 -10.547 -6.322 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.788 -13.484 -4.771 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.475 -9.726 -6.295 1.00 0.00 H new ATOM 0 HH TYR A 50 5.590 -10.175 -5.844 1.00 0.00 H new ATOM 802 N ASN A 51 -2.391 -14.627 -6.539 1.00 0.00 N ATOM 803 CA ASN A 51 -3.667 -15.275 -6.203 1.00 0.00 C ATOM 804 C ASN A 51 -4.741 -14.213 -6.031 1.00 0.00 C ATOM 805 O ASN A 51 -4.765 -13.498 -5.031 1.00 0.00 O ATOM 806 CB ASN A 51 -3.590 -16.147 -4.941 1.00 0.00 C ATOM 807 CG ASN A 51 -2.970 -17.520 -5.195 1.00 0.00 C ATOM 808 OD1 ASN A 51 -3.008 -18.390 -4.325 1.00 0.00 O ATOM 809 ND2 ASN A 51 -2.377 -17.716 -6.373 1.00 0.00 N ATOM 0 H ASN A 51 -2.489 -13.863 -7.208 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.914 -15.943 -7.028 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.005 -15.626 -4.183 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.593 -16.278 -4.536 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.934 -18.612 -6.578 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.366 -16.970 -7.069 1.00 0.00 H new ATOM 816 N PRO A 52 -5.629 -14.074 -7.026 1.00 0.00 N ATOM 817 CA PRO A 52 -6.684 -13.067 -6.991 1.00 0.00 C ATOM 818 C PRO A 52 -7.539 -13.123 -5.735 1.00 0.00 C ATOM 819 O PRO A 52 -7.612 -14.147 -5.058 1.00 0.00 O ATOM 820 CB PRO A 52 -7.523 -13.371 -8.234 1.00 0.00 C ATOM 821 CG PRO A 52 -6.594 -14.081 -9.155 1.00 0.00 C ATOM 822 CD PRO A 52 -5.656 -14.859 -8.275 1.00 0.00 C ATOM 0 HA PRO A 52 -6.263 -12.062 -6.980 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.386 -13.990 -7.987 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.906 -12.456 -8.686 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.140 -14.744 -9.826 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.048 -13.374 -9.780 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.014 -15.874 -8.104 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.664 -14.942 -8.719 1.00 0.00 H new ATOM 830 N THR A 53 -8.188 -11.996 -5.433 1.00 0.00 N ATOM 831 CA THR A 53 -8.072 -10.796 -6.274 1.00 0.00 C ATOM 832 C THR A 53 -7.602 -9.595 -5.471 1.00 0.00 C ATOM 833 O THR A 53 -7.452 -8.495 -6.001 1.00 0.00 O ATOM 834 CB THR A 53 -9.392 -10.479 -6.948 1.00 0.00 C ATOM 835 OG1 THR A 53 -10.055 -11.667 -7.346 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.204 -9.628 -8.181 1.00 0.00 C ATOM 0 H THR A 53 -8.795 -11.886 -4.620 1.00 0.00 H new ATOM 0 HA THR A 53 -7.325 -11.010 -7.039 1.00 0.00 H new ATOM 0 HB THR A 53 -9.986 -9.935 -6.214 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.905 -11.439 -7.777 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.174 -9.424 -8.634 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.727 -8.687 -7.905 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.574 -10.158 -8.896 1.00 0.00 H new ATOM 844 N TRP A 54 -7.358 -9.835 -4.198 1.00 0.00 N ATOM 845 CA TRP A 54 -6.887 -8.808 -3.277 1.00 0.00 C ATOM 846 C TRP A 54 -7.769 -7.562 -3.306 1.00 0.00 C ATOM 847 O TRP A 54 -8.369 -7.231 -4.326 1.00 0.00 O ATOM 848 CB TRP A 54 -5.442 -8.447 -3.599 1.00 0.00 C ATOM 849 CG TRP A 54 -4.541 -9.639 -3.573 1.00 0.00 C ATOM 850 CD1 TRP A 54 -4.247 -10.474 -4.611 1.00 0.00 C ATOM 851 CD2 TRP A 54 -3.864 -10.160 -2.432 1.00 0.00 C ATOM 852 NE1 TRP A 54 -3.394 -11.465 -4.188 1.00 0.00 N ATOM 853 CE2 TRP A 54 -3.149 -11.296 -2.850 1.00 0.00 C ATOM 854 CE3 TRP A 54 -3.787 -9.762 -1.099 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -2.364 -12.043 -1.974 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -3.011 -10.503 -0.228 1.00 0.00 C ATOM 857 CH2 TRP A 54 -2.308 -11.631 -0.668 1.00 0.00 C ATOM 0 H TRP A 54 -7.480 -10.751 -3.767 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.943 -9.216 -2.268 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.397 -7.981 -4.584 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.085 -7.709 -2.881 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.628 -10.371 -5.616 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.007 -12.205 -4.774 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.324 -8.891 -0.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.821 -12.913 -2.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.946 -10.207 0.809 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.709 -12.188 0.037 1.00 0.00 H new ATOM 868 N HIS A 55 -7.852 -6.881 -2.169 1.00 0.00 N ATOM 869 CA HIS A 55 -8.672 -5.679 -2.068 1.00 0.00 C ATOM 870 C HIS A 55 -7.972 -4.575 -1.274 1.00 0.00 C ATOM 871 O HIS A 55 -8.527 -4.044 -0.312 1.00 0.00 O ATOM 872 CB HIS A 55 -10.014 -6.012 -1.420 1.00 0.00 C ATOM 873 CG HIS A 55 -10.825 -7.007 -2.189 1.00 0.00 C ATOM 874 ND1 HIS A 55 -10.420 -8.308 -2.401 1.00 0.00 N ATOM 875 CD2 HIS A 55 -12.026 -6.885 -2.805 1.00 0.00 C ATOM 876 CE1 HIS A 55 -11.335 -8.944 -3.111 1.00 0.00 C ATOM 877 NE2 HIS A 55 -12.319 -8.101 -3.368 1.00 0.00 N ATOM 0 H HIS A 55 -7.366 -7.138 -1.310 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.835 -5.308 -3.080 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -9.836 -6.400 -0.417 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.591 -5.094 -1.310 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -12.638 -5.996 -2.845 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.287 -9.976 -3.427 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -13.162 -8.319 -3.900 1.00 0.00 H new ATOM 886 N CYS A 56 -6.757 -4.224 -1.687 1.00 0.00 N ATOM 887 CA CYS A 56 -5.999 -3.175 -1.017 1.00 0.00 C ATOM 888 C CYS A 56 -6.667 -1.819 -1.208 1.00 0.00 C ATOM 889 O CYS A 56 -6.779 -1.324 -2.328 1.00 0.00 O ATOM 890 CB CYS A 56 -4.564 -3.131 -1.546 1.00 0.00 C ATOM 891 SG CYS A 56 -3.527 -1.873 -0.763 1.00 0.00 S ATOM 0 H CYS A 56 -6.279 -4.650 -2.481 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.975 -3.403 0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.104 -4.108 -1.400 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.590 -2.948 -2.620 1.00 0.00 H new ATOM 0 HG CYS A 56 -4.199 -0.766 -0.649 1.00 0.00 H new ATOM 897 N ILE A 57 -7.114 -1.227 -0.105 1.00 0.00 N ATOM 898 CA ILE A 57 -7.774 0.068 -0.143 1.00 0.00 C ATOM 899 C ILE A 57 -6.921 1.132 0.537 1.00 0.00 C ATOM 900 O ILE A 57 -5.983 0.813 1.267 1.00 0.00 O ATOM 901 CB ILE A 57 -9.146 0.005 0.552 1.00 0.00 C ATOM 902 CG1 ILE A 57 -9.948 -1.182 0.018 1.00 0.00 C ATOM 903 CG2 ILE A 57 -9.909 1.309 0.350 1.00 0.00 C ATOM 904 CD1 ILE A 57 -11.365 -1.246 0.546 1.00 0.00 C ATOM 0 H ILE A 57 -7.029 -1.628 0.829 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.913 0.333 -1.191 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.993 -0.133 1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -9.977 -1.129 -1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.431 -2.105 0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.876 1.246 0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.337 2.135 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.061 1.481 -0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.872 -2.114 0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -11.345 -1.331 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.900 -0.340 0.263 1.00 0.00 H new ATOM 916 N VAL A 58 -7.248 2.395 0.293 1.00 0.00 N ATOM 917 CA VAL A 58 -6.506 3.500 0.886 1.00 0.00 C ATOM 918 C VAL A 58 -7.459 4.500 1.541 1.00 0.00 C ATOM 919 O VAL A 58 -8.554 4.740 1.036 1.00 0.00 O ATOM 920 CB VAL A 58 -5.659 4.236 -0.173 1.00 0.00 C ATOM 921 CG1 VAL A 58 -4.784 5.299 0.478 1.00 0.00 C ATOM 922 CG2 VAL A 58 -4.818 3.248 -0.972 1.00 0.00 C ATOM 0 H VAL A 58 -8.020 2.679 -0.310 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.843 3.077 1.641 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.336 4.737 -0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.196 5.805 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.415 6.026 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.114 4.828 1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.229 3.788 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.150 2.711 -0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.473 2.538 -1.477 1.00 0.00 H new ATOM 932 N GLY A 59 -7.041 5.080 2.665 1.00 0.00 N ATOM 933 CA GLY A 59 -7.885 6.044 3.350 1.00 0.00 C ATOM 934 C GLY A 59 -7.098 6.988 4.239 1.00 0.00 C ATOM 935 O GLY A 59 -5.920 7.238 3.997 1.00 0.00 O ATOM 0 H GLY A 59 -6.141 4.901 3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.439 6.624 2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.620 5.512 3.954 1.00 0.00 H new ATOM 939 N ARG A 60 -7.753 7.514 5.269 1.00 0.00 N ATOM 940 CA ARG A 60 -7.106 8.436 6.194 1.00 0.00 C ATOM 941 C ARG A 60 -7.703 8.319 7.590 1.00 0.00 C ATOM 942 O ARG A 60 -8.584 9.091 7.967 1.00 0.00 O ATOM 943 CB ARG A 60 -7.239 9.874 5.692 1.00 0.00 C ATOM 944 CG ARG A 60 -6.613 10.104 4.327 1.00 0.00 C ATOM 945 CD ARG A 60 -6.753 11.552 3.887 1.00 0.00 C ATOM 946 NE ARG A 60 -8.152 11.967 3.800 1.00 0.00 N ATOM 947 CZ ARG A 60 -8.544 13.187 3.441 1.00 0.00 C ATOM 948 NH1 ARG A 60 -7.647 14.117 3.139 1.00 0.00 N ATOM 949 NH2 ARG A 60 -9.836 13.478 3.388 1.00 0.00 N ATOM 0 H ARG A 60 -8.731 7.317 5.484 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.050 8.172 6.247 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.296 10.137 5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.774 10.546 6.413 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.558 9.833 4.359 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.087 9.452 3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.227 12.197 4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.275 11.683 2.916 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.871 11.280 4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.652 13.898 3.181 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.953 15.051 2.864 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.529 12.767 3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.137 14.413 3.113 1.00 0.00 H new ATOM 963 N SER A 61 -7.216 7.348 8.357 1.00 0.00 N ATOM 964 CA SER A 61 -7.698 7.126 9.719 1.00 0.00 C ATOM 965 C SER A 61 -9.225 7.124 9.771 1.00 0.00 C ATOM 966 O SER A 61 -9.825 7.678 10.693 1.00 0.00 O ATOM 967 CB SER A 61 -7.143 8.200 10.657 1.00 0.00 C ATOM 968 OG SER A 61 -7.545 9.495 10.244 1.00 0.00 O ATOM 0 H SER A 61 -6.486 6.700 8.059 1.00 0.00 H new ATOM 0 HA SER A 61 -7.346 6.148 10.046 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.491 8.015 11.673 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.055 8.143 10.677 1.00 0.00 H new ATOM 0 HG SER A 61 -8.281 9.420 9.601 1.00 0.00 H new ATOM 974 N GLY A 62 -9.846 6.501 8.775 1.00 0.00 N ATOM 975 CA GLY A 62 -11.295 6.442 8.726 1.00 0.00 C ATOM 976 C GLY A 62 -11.868 5.246 9.467 1.00 0.00 C ATOM 977 O GLY A 62 -13.043 4.918 9.306 1.00 0.00 O ATOM 0 H GLY A 62 -9.372 6.036 8.001 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.705 7.357 9.154 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.616 6.405 7.685 1.00 0.00 H new ATOM 981 N ASN A 63 -11.040 4.593 10.280 1.00 0.00 N ATOM 982 CA ASN A 63 -11.483 3.430 11.042 1.00 0.00 C ATOM 983 C ASN A 63 -11.912 2.304 10.107 1.00 0.00 C ATOM 984 O ASN A 63 -13.076 1.901 10.096 1.00 0.00 O ATOM 985 CB ASN A 63 -12.640 3.815 11.971 1.00 0.00 C ATOM 986 CG ASN A 63 -13.099 2.682 12.882 1.00 0.00 C ATOM 987 OD1 ASN A 63 -14.114 2.807 13.568 1.00 0.00 O ATOM 988 ND2 ASN A 63 -12.353 1.577 12.920 1.00 0.00 N ATOM 0 H ASN A 63 -10.064 4.849 10.427 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.647 3.076 11.646 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -12.334 4.662 12.585 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -13.484 4.148 11.367 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.618 0.804 13.530 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.518 1.505 12.339 1.00 0.00 H new ATOM 995 N PHE A 64 -10.966 1.802 9.323 1.00 0.00 N ATOM 996 CA PHE A 64 -11.242 0.725 8.383 1.00 0.00 C ATOM 997 C PHE A 64 -10.153 -0.342 8.430 1.00 0.00 C ATOM 998 O PHE A 64 -9.835 -0.966 7.419 1.00 0.00 O ATOM 999 CB PHE A 64 -11.384 1.284 6.964 1.00 0.00 C ATOM 1000 CG PHE A 64 -10.273 2.217 6.560 1.00 0.00 C ATOM 1001 CD1 PHE A 64 -8.981 1.750 6.374 1.00 0.00 C ATOM 1002 CD2 PHE A 64 -10.526 3.567 6.368 1.00 0.00 C ATOM 1003 CE1 PHE A 64 -7.964 2.612 6.005 1.00 0.00 C ATOM 1004 CE2 PHE A 64 -9.513 4.431 6.000 1.00 0.00 C ATOM 1005 CZ PHE A 64 -8.232 3.953 5.818 1.00 0.00 C ATOM 0 H PHE A 64 -9.999 2.125 9.320 1.00 0.00 H new ATOM 0 HA PHE A 64 -12.182 0.255 8.673 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.422 0.453 6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -12.335 1.812 6.886 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -8.766 0.702 6.519 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -11.527 3.947 6.508 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.961 2.236 5.863 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.724 5.480 5.855 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.439 4.627 5.529 1.00 0.00 H new ATOM 1015 N GLY A 65 -9.590 -0.548 9.617 1.00 0.00 N ATOM 1016 CA GLY A 65 -8.546 -1.543 9.781 1.00 0.00 C ATOM 1017 C GLY A 65 -8.922 -2.635 10.767 1.00 0.00 C ATOM 1018 O GLY A 65 -8.226 -3.645 10.873 1.00 0.00 O ATOM 0 H GLY A 65 -9.838 -0.043 10.468 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.325 -1.994 8.814 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.633 -1.053 10.120 1.00 0.00 H new ATOM 1022 N SER A 66 -10.020 -2.438 11.492 1.00 0.00 N ATOM 1023 CA SER A 66 -10.473 -3.421 12.469 1.00 0.00 C ATOM 1024 C SER A 66 -11.956 -3.729 12.297 1.00 0.00 C ATOM 1025 O SER A 66 -12.641 -4.090 13.253 1.00 0.00 O ATOM 1026 CB SER A 66 -10.204 -2.923 13.890 1.00 0.00 C ATOM 1027 OG SER A 66 -10.641 -3.868 14.852 1.00 0.00 O ATOM 0 H SER A 66 -10.610 -1.609 11.421 1.00 0.00 H new ATOM 0 HA SER A 66 -9.912 -4.341 12.301 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.138 -2.736 14.018 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.716 -1.974 14.049 1.00 0.00 H new ATOM 0 HG SER A 66 -11.582 -4.088 14.690 1.00 0.00 H new ATOM 1033 N TYR A 67 -12.443 -3.589 11.069 1.00 0.00 N ATOM 1034 CA TYR A 67 -13.846 -3.858 10.763 1.00 0.00 C ATOM 1035 C TYR A 67 -14.038 -4.150 9.278 1.00 0.00 C ATOM 1036 O TYR A 67 -15.127 -3.966 8.736 1.00 0.00 O ATOM 1037 CB TYR A 67 -14.720 -2.674 11.179 1.00 0.00 C ATOM 1038 CG TYR A 67 -14.752 -2.435 12.673 1.00 0.00 C ATOM 1039 CD1 TYR A 67 -15.259 -3.398 13.538 1.00 0.00 C ATOM 1040 CD2 TYR A 67 -14.280 -1.246 13.218 1.00 0.00 C ATOM 1041 CE1 TYR A 67 -15.291 -3.184 14.903 1.00 0.00 C ATOM 1042 CE2 TYR A 67 -14.309 -1.027 14.582 1.00 0.00 C ATOM 1043 CZ TYR A 67 -14.816 -1.998 15.420 1.00 0.00 C ATOM 1044 OH TYR A 67 -14.847 -1.783 16.778 1.00 0.00 O ATOM 0 H TYR A 67 -11.887 -3.290 10.267 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.148 -4.739 11.328 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -14.356 -1.774 10.684 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -15.737 -2.843 10.825 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -15.634 -4.328 13.137 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -13.885 -0.482 12.565 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -15.687 -3.943 15.562 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.936 -0.099 14.990 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.474 -0.899 16.978 1.00 0.00 H new ATOM 1054 N VAL A 68 -12.973 -4.607 8.627 1.00 0.00 N ATOM 1055 CA VAL A 68 -13.021 -4.927 7.208 1.00 0.00 C ATOM 1056 C VAL A 68 -12.702 -6.403 6.960 1.00 0.00 C ATOM 1057 O VAL A 68 -12.666 -6.856 5.817 1.00 0.00 O ATOM 1058 CB VAL A 68 -12.023 -4.067 6.419 1.00 0.00 C ATOM 1059 CG1 VAL A 68 -12.167 -4.309 4.925 1.00 0.00 C ATOM 1060 CG2 VAL A 68 -12.208 -2.595 6.751 1.00 0.00 C ATOM 0 H VAL A 68 -12.064 -4.764 9.063 1.00 0.00 H new ATOM 0 HA VAL A 68 -14.035 -4.717 6.868 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.014 -4.357 6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.451 -3.690 4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.975 -5.360 4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.178 -4.052 4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.492 -2.001 6.183 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -13.221 -2.288 6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.043 -2.439 7.817 1.00 0.00 H new ATOM 1070 N THR A 69 -12.476 -7.145 8.040 1.00 0.00 N ATOM 1071 CA THR A 69 -12.161 -8.568 7.948 1.00 0.00 C ATOM 1072 C THR A 69 -13.164 -9.285 7.069 1.00 0.00 C ATOM 1073 O THR A 69 -12.804 -9.900 6.066 1.00 0.00 O ATOM 1074 CB THR A 69 -12.142 -9.197 9.344 1.00 0.00 C ATOM 1075 OG1 THR A 69 -11.182 -8.560 10.169 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.819 -10.677 9.332 1.00 0.00 C ATOM 0 H THR A 69 -12.505 -6.783 8.993 1.00 0.00 H new ATOM 0 HA THR A 69 -11.173 -8.671 7.498 1.00 0.00 H new ATOM 0 HB THR A 69 -13.152 -9.063 9.732 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.187 -8.975 11.057 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.822 -11.058 10.353 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.568 -11.208 8.744 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.834 -10.831 8.890 1.00 0.00 H new ATOM 1084 N HIS A 70 -14.425 -9.211 7.454 1.00 0.00 N ATOM 1085 CA HIS A 70 -15.490 -9.865 6.702 1.00 0.00 C ATOM 1086 C HIS A 70 -15.157 -11.345 6.469 1.00 0.00 C ATOM 1087 O HIS A 70 -15.777 -12.002 5.637 1.00 0.00 O ATOM 1088 CB HIS A 70 -15.699 -9.143 5.364 1.00 0.00 C ATOM 1089 CG HIS A 70 -16.971 -9.506 4.658 1.00 0.00 C ATOM 1090 ND1 HIS A 70 -17.227 -10.764 4.153 1.00 0.00 N ATOM 1091 CD2 HIS A 70 -18.065 -8.760 4.371 1.00 0.00 C ATOM 1092 CE1 HIS A 70 -18.422 -10.775 3.586 1.00 0.00 C ATOM 1093 NE2 HIS A 70 -18.951 -9.572 3.706 1.00 0.00 N ATOM 0 H HIS A 70 -14.741 -8.706 8.282 1.00 0.00 H new ATOM 0 HA HIS A 70 -16.413 -9.813 7.280 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -15.689 -8.067 5.540 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -14.857 -9.367 4.709 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -16.593 -11.561 4.208 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -18.213 -7.719 4.619 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -18.886 -11.624 3.106 1.00 0.00 H new ATOM 1102 N GLU A 71 -14.164 -11.856 7.211 1.00 0.00 N ATOM 1103 CA GLU A 71 -13.728 -13.253 7.101 1.00 0.00 C ATOM 1104 C GLU A 71 -12.694 -13.409 5.990 1.00 0.00 C ATOM 1105 O GLU A 71 -12.718 -14.378 5.233 1.00 0.00 O ATOM 1106 CB GLU A 71 -14.913 -14.197 6.851 1.00 0.00 C ATOM 1107 CG GLU A 71 -16.039 -14.041 7.861 1.00 0.00 C ATOM 1108 CD GLU A 71 -17.196 -14.983 7.593 1.00 0.00 C ATOM 1109 OE1 GLU A 71 -17.793 -14.893 6.500 1.00 0.00 O ATOM 1110 OE2 GLU A 71 -17.504 -15.812 8.476 1.00 0.00 O ATOM 0 H GLU A 71 -13.643 -11.314 7.901 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.272 -13.527 8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -15.306 -14.016 5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.557 -15.227 6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.651 -14.223 8.863 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.400 -13.013 7.841 1.00 0.00 H new ATOM 1117 N THR A 72 -11.783 -12.446 5.909 1.00 0.00 N ATOM 1118 CA THR A 72 -10.730 -12.462 4.900 1.00 0.00 C ATOM 1119 C THR A 72 -9.804 -13.661 5.098 1.00 0.00 C ATOM 1120 O THR A 72 -9.540 -14.407 4.155 1.00 0.00 O ATOM 1121 CB THR A 72 -9.935 -11.161 4.963 1.00 0.00 C ATOM 1122 OG1 THR A 72 -10.779 -10.046 4.749 1.00 0.00 O ATOM 1123 CG2 THR A 72 -8.821 -11.083 3.946 1.00 0.00 C ATOM 0 H THR A 72 -11.753 -11.640 6.534 1.00 0.00 H new ATOM 0 HA THR A 72 -11.192 -12.552 3.917 1.00 0.00 H new ATOM 0 HB THR A 72 -9.497 -11.146 5.961 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.300 -9.870 5.560 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.300 -10.131 4.050 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.120 -11.901 4.111 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.239 -11.160 2.942 1.00 0.00 H new ATOM 1131 N LYS A 73 -9.325 -13.829 6.334 1.00 0.00 N ATOM 1132 CA LYS A 73 -8.426 -14.931 6.714 1.00 0.00 C ATOM 1133 C LYS A 73 -6.961 -14.501 6.654 1.00 0.00 C ATOM 1134 O LYS A 73 -6.141 -14.952 7.453 1.00 0.00 O ATOM 1135 CB LYS A 73 -8.644 -16.172 5.837 1.00 0.00 C ATOM 1136 CG LYS A 73 -10.074 -16.692 5.857 1.00 0.00 C ATOM 1137 CD LYS A 73 -10.537 -17.050 7.265 1.00 0.00 C ATOM 1138 CE LYS A 73 -9.832 -18.286 7.807 1.00 0.00 C ATOM 1139 NZ LYS A 73 -8.394 -18.037 8.108 1.00 0.00 N ATOM 0 H LYS A 73 -9.550 -13.202 7.107 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.670 -15.194 7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.368 -15.933 4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.974 -16.964 6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.739 -15.937 5.439 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.148 -17.572 5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.352 -16.207 7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.613 -17.222 7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.337 -18.620 8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.913 -19.094 7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.118 -18.575 8.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.813 -18.340 7.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.246 -17.022 8.280 1.00 0.00 H new ATOM 1153 N HIS A 74 -6.643 -13.626 5.709 1.00 0.00 N ATOM 1154 CA HIS A 74 -5.278 -13.126 5.548 1.00 0.00 C ATOM 1155 C HIS A 74 -5.309 -11.700 5.013 1.00 0.00 C ATOM 1156 O HIS A 74 -6.111 -11.389 4.135 1.00 0.00 O ATOM 1157 CB HIS A 74 -4.479 -14.022 4.598 1.00 0.00 C ATOM 1158 CG HIS A 74 -4.375 -15.447 5.050 1.00 0.00 C ATOM 1159 ND1 HIS A 74 -5.454 -16.304 5.101 1.00 0.00 N ATOM 1160 CD2 HIS A 74 -3.308 -16.162 5.480 1.00 0.00 C ATOM 1161 CE1 HIS A 74 -5.055 -17.484 5.543 1.00 0.00 C ATOM 1162 NE2 HIS A 74 -3.758 -17.425 5.778 1.00 0.00 N ATOM 0 H HIS A 74 -7.311 -13.245 5.039 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.790 -13.136 6.522 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -4.945 -13.997 3.613 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.475 -13.612 4.486 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.293 -15.805 5.571 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.684 -18.350 5.687 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.183 -18.193 6.125 1.00 0.00 H new ATOM 1171 N PHE A 75 -4.454 -10.826 5.546 1.00 0.00 N ATOM 1172 CA PHE A 75 -4.440 -9.436 5.100 1.00 0.00 C ATOM 1173 C PHE A 75 -3.400 -8.600 5.837 1.00 0.00 C ATOM 1174 O PHE A 75 -2.623 -9.111 6.643 1.00 0.00 O ATOM 1175 CB PHE A 75 -5.822 -8.818 5.318 1.00 0.00 C ATOM 1176 CG PHE A 75 -6.296 -8.892 6.742 1.00 0.00 C ATOM 1177 CD1 PHE A 75 -5.673 -8.154 7.738 1.00 0.00 C ATOM 1178 CD2 PHE A 75 -7.363 -9.703 7.085 1.00 0.00 C ATOM 1179 CE1 PHE A 75 -6.107 -8.226 9.047 1.00 0.00 C ATOM 1180 CE2 PHE A 75 -7.803 -9.779 8.393 1.00 0.00 C ATOM 1181 CZ PHE A 75 -7.175 -9.040 9.375 1.00 0.00 C ATOM 0 H PHE A 75 -3.775 -11.051 6.273 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.178 -9.436 4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.797 -7.774 5.006 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.543 -9.325 4.677 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.839 -7.516 7.487 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.858 -10.284 6.321 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.613 -7.647 9.813 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.637 -10.416 8.646 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.517 -9.098 10.398 1.00 0.00 H new ATOM 1191 N ILE A 76 -3.416 -7.298 5.556 1.00 0.00 N ATOM 1192 CA ILE A 76 -2.503 -6.354 6.189 1.00 0.00 C ATOM 1193 C ILE A 76 -3.128 -4.970 6.279 1.00 0.00 C ATOM 1194 O ILE A 76 -4.033 -4.624 5.516 1.00 0.00 O ATOM 1195 CB ILE A 76 -1.148 -6.270 5.452 1.00 0.00 C ATOM 1196 CG1 ILE A 76 -0.311 -5.087 5.955 1.00 0.00 C ATOM 1197 CG2 ILE A 76 -1.357 -6.173 3.950 1.00 0.00 C ATOM 1198 CD1 ILE A 76 1.048 -4.986 5.298 1.00 0.00 C ATOM 0 H ILE A 76 -4.058 -6.872 4.888 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.314 -6.728 7.195 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.598 -7.186 5.667 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.861 -4.162 5.779 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.179 -5.178 7.033 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.390 -6.115 3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.894 -7.055 3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.938 -5.280 3.720 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.584 -4.127 5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.616 -5.895 5.496 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.924 -4.863 4.222 1.00 0.00 H new ATOM 1210 N TYR A 77 -2.632 -4.193 7.225 1.00 0.00 N ATOM 1211 CA TYR A 77 -3.125 -2.837 7.453 1.00 0.00 C ATOM 1212 C TYR A 77 -2.001 -1.925 7.922 1.00 0.00 C ATOM 1213 O TYR A 77 -1.417 -2.136 8.984 1.00 0.00 O ATOM 1214 CB TYR A 77 -4.251 -2.857 8.489 1.00 0.00 C ATOM 1215 CG TYR A 77 -4.817 -1.490 8.803 1.00 0.00 C ATOM 1216 CD1 TYR A 77 -5.389 -0.713 7.808 1.00 0.00 C ATOM 1217 CD2 TYR A 77 -4.778 -0.980 10.094 1.00 0.00 C ATOM 1218 CE1 TYR A 77 -5.907 0.537 8.088 1.00 0.00 C ATOM 1219 CE2 TYR A 77 -5.295 0.269 10.383 1.00 0.00 C ATOM 1220 CZ TYR A 77 -5.859 1.023 9.376 1.00 0.00 C ATOM 1221 OH TYR A 77 -6.373 2.267 9.659 1.00 0.00 O ATOM 0 H TYR A 77 -1.882 -4.477 7.855 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.512 -2.448 6.511 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -5.055 -3.498 8.126 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.877 -3.305 9.410 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.431 -1.091 6.797 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.337 -1.569 10.885 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.348 1.130 7.300 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.257 0.652 11.392 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.261 2.458 10.614 1.00 0.00 H new ATOM 1231 N PHE A 78 -1.707 -0.909 7.123 1.00 0.00 N ATOM 1232 CA PHE A 78 -0.652 0.040 7.459 1.00 0.00 C ATOM 1233 C PHE A 78 -1.082 1.465 7.134 1.00 0.00 C ATOM 1234 O PHE A 78 -2.019 1.680 6.367 1.00 0.00 O ATOM 1235 CB PHE A 78 0.637 -0.304 6.710 1.00 0.00 C ATOM 1236 CG PHE A 78 0.498 -0.278 5.214 1.00 0.00 C ATOM 1237 CD1 PHE A 78 -0.359 -1.153 4.567 1.00 0.00 C ATOM 1238 CD2 PHE A 78 1.228 0.624 4.455 1.00 0.00 C ATOM 1239 CE1 PHE A 78 -0.485 -1.130 3.190 1.00 0.00 C ATOM 1240 CE2 PHE A 78 1.105 0.652 3.078 1.00 0.00 C ATOM 1241 CZ PHE A 78 0.247 -0.226 2.446 1.00 0.00 C ATOM 0 H PHE A 78 -2.182 -0.720 6.240 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.465 -0.029 8.531 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.416 0.399 7.005 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.970 -1.295 7.017 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.935 -1.861 5.144 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.900 1.313 4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.155 -1.818 2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.679 1.359 2.498 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.149 -0.206 1.371 1.00 0.00 H new ATOM 1251 N TYR A 79 -0.396 2.438 7.727 1.00 0.00 N ATOM 1252 CA TYR A 79 -0.716 3.842 7.498 1.00 0.00 C ATOM 1253 C TYR A 79 0.518 4.632 7.075 1.00 0.00 C ATOM 1254 O TYR A 79 1.636 4.339 7.501 1.00 0.00 O ATOM 1255 CB TYR A 79 -1.337 4.461 8.755 1.00 0.00 C ATOM 1256 CG TYR A 79 -0.461 4.374 9.985 1.00 0.00 C ATOM 1257 CD1 TYR A 79 0.749 5.057 10.055 1.00 0.00 C ATOM 1258 CD2 TYR A 79 -0.844 3.607 11.079 1.00 0.00 C ATOM 1259 CE1 TYR A 79 1.548 4.977 11.180 1.00 0.00 C ATOM 1260 CE2 TYR A 79 -0.050 3.524 12.206 1.00 0.00 C ATOM 1261 CZ TYR A 79 1.144 4.211 12.252 1.00 0.00 C ATOM 1262 OH TYR A 79 1.938 4.130 13.374 1.00 0.00 O ATOM 0 H TYR A 79 0.382 2.280 8.367 1.00 0.00 H new ATOM 0 HA TYR A 79 -1.440 3.890 6.685 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -1.563 5.509 8.557 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.285 3.964 8.961 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.069 5.659 9.217 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.779 3.067 11.047 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.485 5.513 11.219 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.363 2.924 13.047 1.00 0.00 H new ATOM 0 HH TYR A 79 1.508 3.551 14.038 1.00 0.00 H new ATOM 1272 N LEU A 80 0.298 5.637 6.236 1.00 0.00 N ATOM 1273 CA LEU A 80 1.368 6.488 5.743 1.00 0.00 C ATOM 1274 C LEU A 80 1.262 7.866 6.370 1.00 0.00 C ATOM 1275 O LEU A 80 0.873 8.837 5.718 1.00 0.00 O ATOM 1276 CB LEU A 80 1.301 6.585 4.222 1.00 0.00 C ATOM 1277 CG LEU A 80 1.507 5.260 3.496 1.00 0.00 C ATOM 1278 CD1 LEU A 80 1.254 5.419 2.004 1.00 0.00 C ATOM 1279 CD2 LEU A 80 2.912 4.732 3.745 1.00 0.00 C ATOM 0 H LEU A 80 -0.626 5.883 5.880 1.00 0.00 H new ATOM 0 HA LEU A 80 2.328 6.052 6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.331 6.993 3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.057 7.293 3.882 1.00 0.00 H new ATOM 0 HG LEU A 80 0.790 4.538 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.407 4.462 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.229 5.753 1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.945 6.156 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.043 3.786 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.642 5.454 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.058 4.577 4.814 1.00 0.00 H new ATOM 1291 N GLY A 81 1.593 7.935 7.649 1.00 0.00 N ATOM 1292 CA GLY A 81 1.518 9.190 8.371 1.00 0.00 C ATOM 1293 C GLY A 81 0.086 9.625 8.604 1.00 0.00 C ATOM 1294 O GLY A 81 -0.404 9.598 9.734 1.00 0.00 O ATOM 0 H GLY A 81 1.914 7.141 8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.027 9.088 9.330 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.045 9.963 7.811 1.00 0.00 H new ATOM 1298 N GLN A 82 -0.588 10.020 7.529 1.00 0.00 N ATOM 1299 CA GLN A 82 -1.974 10.457 7.613 1.00 0.00 C ATOM 1300 C GLN A 82 -2.894 9.526 6.827 1.00 0.00 C ATOM 1301 O GLN A 82 -4.105 9.506 7.050 1.00 0.00 O ATOM 1302 CB GLN A 82 -2.116 11.886 7.088 1.00 0.00 C ATOM 1303 CG GLN A 82 -1.284 12.902 7.852 1.00 0.00 C ATOM 1304 CD GLN A 82 -1.447 14.310 7.314 1.00 0.00 C ATOM 1305 OE1 GLN A 82 -1.146 14.582 6.152 1.00 0.00 O ATOM 1306 NE2 GLN A 82 -1.925 15.216 8.162 1.00 0.00 N ATOM 0 H GLN A 82 -0.195 10.046 6.588 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.268 10.429 8.662 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.826 11.908 6.037 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.165 12.179 7.136 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.570 12.883 8.904 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.233 12.617 7.802 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.162 14.946 9.117 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.055 16.181 7.858 1.00 0.00 H new ATOM 1315 N VAL A 83 -2.320 8.757 5.904 1.00 0.00 N ATOM 1316 CA VAL A 83 -3.102 7.832 5.094 1.00 0.00 C ATOM 1317 C VAL A 83 -3.159 6.460 5.752 1.00 0.00 C ATOM 1318 O VAL A 83 -2.280 6.097 6.533 1.00 0.00 O ATOM 1319 CB VAL A 83 -2.511 7.679 3.676 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -3.510 7.023 2.735 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -2.058 9.025 3.130 1.00 0.00 C ATOM 0 H VAL A 83 -1.320 8.757 5.701 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.106 8.248 5.015 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.639 7.029 3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.067 6.928 1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.770 6.034 3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.409 7.636 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.645 8.892 2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.909 9.704 3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.294 9.445 3.785 1.00 0.00 H new ATOM 1331 N ALA A 84 -4.195 5.699 5.430 1.00 0.00 N ATOM 1332 CA ALA A 84 -4.363 4.365 5.985 1.00 0.00 C ATOM 1333 C ALA A 84 -4.770 3.378 4.902 1.00 0.00 C ATOM 1334 O ALA A 84 -5.860 3.475 4.340 1.00 0.00 O ATOM 1335 CB ALA A 84 -5.393 4.382 7.104 1.00 0.00 C ATOM 0 H ALA A 84 -4.933 5.984 4.786 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.407 4.043 6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.507 3.376 7.509 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.061 5.056 7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -6.350 4.726 6.712 1.00 0.00 H new ATOM 1341 N ILE A 85 -3.893 2.424 4.613 1.00 0.00 N ATOM 1342 CA ILE A 85 -4.174 1.421 3.602 1.00 0.00 C ATOM 1343 C ILE A 85 -4.539 0.100 4.243 1.00 0.00 C ATOM 1344 O ILE A 85 -4.056 -0.241 5.321 1.00 0.00 O ATOM 1345 CB ILE A 85 -2.984 1.224 2.634 1.00 0.00 C ATOM 1346 CG1 ILE A 85 -2.992 2.334 1.593 1.00 0.00 C ATOM 1347 CG2 ILE A 85 -3.043 -0.139 1.952 1.00 0.00 C ATOM 1348 CD1 ILE A 85 -1.864 2.233 0.586 1.00 0.00 C ATOM 0 H ILE A 85 -2.984 2.327 5.065 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.022 1.785 3.021 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.059 1.266 3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.944 2.315 1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.929 3.297 2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.193 -0.246 1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.009 -0.925 2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.969 -0.221 1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.935 3.057 -0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.907 2.283 1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.938 1.286 0.051 1.00 0.00 H new ATOM 1360 N LEU A 86 -5.399 -0.639 3.565 1.00 0.00 N ATOM 1361 CA LEU A 86 -5.838 -1.930 4.071 1.00 0.00 C ATOM 1362 C LEU A 86 -5.954 -2.964 2.955 1.00 0.00 C ATOM 1363 O LEU A 86 -6.941 -3.000 2.222 1.00 0.00 O ATOM 1364 CB LEU A 86 -7.180 -1.797 4.799 1.00 0.00 C ATOM 1365 CG LEU A 86 -8.298 -1.111 4.007 1.00 0.00 C ATOM 1366 CD1 LEU A 86 -9.634 -1.282 4.715 1.00 0.00 C ATOM 1367 CD2 LEU A 86 -7.986 0.367 3.817 1.00 0.00 C ATOM 0 H LEU A 86 -5.806 -0.371 2.669 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.081 -2.276 4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.519 -2.793 5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.019 -1.240 5.722 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.363 -1.581 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.417 -0.789 4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.864 -2.343 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.579 -0.836 5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.790 0.839 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.896 0.848 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.049 0.474 3.271 1.00 0.00 H new ATOM 1379 N LEU A 87 -4.946 -3.821 2.854 1.00 0.00 N ATOM 1380 CA LEU A 87 -4.935 -4.884 1.856 1.00 0.00 C ATOM 1381 C LEU A 87 -5.520 -6.145 2.468 1.00 0.00 C ATOM 1382 O LEU A 87 -5.285 -6.429 3.638 1.00 0.00 O ATOM 1383 CB LEU A 87 -3.507 -5.128 1.363 1.00 0.00 C ATOM 1384 CG LEU A 87 -3.327 -6.318 0.418 1.00 0.00 C ATOM 1385 CD1 LEU A 87 -1.978 -6.239 -0.277 1.00 0.00 C ATOM 1386 CD2 LEU A 87 -3.447 -7.630 1.181 1.00 0.00 C ATOM 0 H LEU A 87 -4.121 -3.801 3.454 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.541 -4.592 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.158 -4.228 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.863 -5.275 2.230 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.114 -6.281 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.863 -7.092 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.919 -5.315 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.183 -6.253 0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.316 -8.465 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.679 -7.673 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.432 -7.693 1.644 1.00 0.00 H new ATOM 1398 N PHE A 88 -6.296 -6.891 1.690 1.00 0.00 N ATOM 1399 CA PHE A 88 -6.915 -8.106 2.201 1.00 0.00 C ATOM 1400 C PHE A 88 -7.643 -8.874 1.100 1.00 0.00 C ATOM 1401 O PHE A 88 -8.207 -8.280 0.181 1.00 0.00 O ATOM 1402 CB PHE A 88 -7.894 -7.751 3.323 1.00 0.00 C ATOM 1403 CG PHE A 88 -8.980 -6.803 2.898 1.00 0.00 C ATOM 1404 CD1 PHE A 88 -9.996 -7.220 2.053 1.00 0.00 C ATOM 1405 CD2 PHE A 88 -8.983 -5.490 3.344 1.00 0.00 C ATOM 1406 CE1 PHE A 88 -10.994 -6.345 1.663 1.00 0.00 C ATOM 1407 CE2 PHE A 88 -9.975 -4.613 2.957 1.00 0.00 C ATOM 1408 CZ PHE A 88 -10.983 -5.041 2.115 1.00 0.00 C ATOM 0 H PHE A 88 -6.509 -6.679 0.715 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.125 -8.750 2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.350 -8.667 3.699 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.340 -7.308 4.150 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.009 -8.239 1.695 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -8.198 -5.149 4.003 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.781 -6.682 1.005 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.964 -3.593 3.312 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.761 -4.356 1.811 1.00 0.00 H new ATOM 1418 N LYS A 89 -7.630 -10.199 1.208 1.00 0.00 N ATOM 1419 CA LYS A 89 -8.292 -11.063 0.238 1.00 0.00 C ATOM 1420 C LYS A 89 -9.678 -11.450 0.733 1.00 0.00 C ATOM 1421 O LYS A 89 -9.819 -12.255 1.653 1.00 0.00 O ATOM 1422 CB LYS A 89 -7.449 -12.318 -0.006 1.00 0.00 C ATOM 1423 CG LYS A 89 -8.034 -13.270 -1.031 1.00 0.00 C ATOM 1424 CD LYS A 89 -7.862 -12.725 -2.434 1.00 0.00 C ATOM 1425 CE LYS A 89 -6.391 -12.655 -2.817 1.00 0.00 C ATOM 1426 NZ LYS A 89 -5.724 -13.982 -2.704 1.00 0.00 N ATOM 0 H LYS A 89 -7.164 -10.700 1.964 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.398 -10.519 -0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.454 -12.016 -0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.326 -12.849 0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.546 -14.241 -0.951 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.093 -13.427 -0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.396 -13.359 -3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.306 -11.731 -2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.299 -12.288 -3.839 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.882 -11.937 -2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.110 -14.133 -3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.151 -14.010 -1.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.445 -14.731 -2.667 1.00 0.00 H new ATOM 1440 N SER A 90 -10.701 -10.871 0.114 1.00 0.00 N ATOM 1441 CA SER A 90 -12.082 -11.151 0.489 1.00 0.00 C ATOM 1442 C SER A 90 -12.602 -12.392 -0.231 1.00 0.00 C ATOM 1443 O SER A 90 -13.792 -12.499 -0.522 1.00 0.00 O ATOM 1444 CB SER A 90 -12.974 -9.952 0.166 1.00 0.00 C ATOM 1445 OG SER A 90 -12.529 -8.789 0.843 1.00 0.00 O ATOM 0 H SER A 90 -10.600 -10.204 -0.651 1.00 0.00 H new ATOM 0 HA SER A 90 -12.108 -11.337 1.563 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.973 -9.773 -0.909 1.00 0.00 H new ATOM 0 HB3 SER A 90 -14.002 -10.172 0.452 1.00 0.00 H new ATOM 0 HG SER A 90 -11.602 -8.597 0.589 1.00 0.00 H new ATOM 1451 N GLY A 91 -11.699 -13.323 -0.512 1.00 0.00 N ATOM 1452 CA GLY A 91 -12.081 -14.545 -1.196 1.00 0.00 C ATOM 1453 C GLY A 91 -11.620 -14.569 -2.639 1.00 0.00 C ATOM 1454 O GLY A 91 -11.619 -13.498 -3.281 1.00 0.00 O ATOM 1455 OXT GLY A 91 -11.258 -15.660 -3.128 1.00 0.00 O ATOM 0 H GLY A 91 -10.708 -13.254 -0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.659 -15.400 -0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.165 -14.653 -1.162 1.00 0.00 H new