USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 866 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 13 THR OG1 : rot 18:sc= 0.468 USER MOD Set 1.2: A 16 THR OG1 : rot 92:sc= 0.707 USER MOD Single : A 7 GLN : amide:sc= -0.223 K(o=-0.22,f=-0.81) USER MOD Single : A 11 CYS SG : rot 120:sc= 0.0571 USER MOD Single : A 12 HIS : no HE2:sc= -0.0522! C(o=-0.052!,f=-6!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 20 GLN : amide:sc= -1.54 K(o=-1.5,f=-5.5!) USER MOD Single : A 22 GLN : amide:sc= 0.526 K(o=0.53,f=-0.013) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -110:sc= -4.19! USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 64 LYS NZ :NH3+ 152:sc= 0.228 (180deg=-1.25!) USER MOD Single : A 67 THR OG1 : rot -26:sc= 0.358 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 82 MET CE :methyl -177:sc= -1.54 (180deg=-1.57) USER MOD Single : A 84 THR OG1 : rot 68:sc= 0.653 USER MOD Single : A 86 MET CE :methyl -136:sc= -0.281 (180deg=-1.57) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -114:sc= -0.252 (180deg=-2.52) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 179:sc= 0.0393 (180deg=0.0392) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0.943 K(o=0.94,f=0.26) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 73:sc= 1.19 USER MOD Single : A 111 LYS NZ :NH3+ -162:sc= 1.25 (180deg=0.769) USER MOD Single : A 112 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 69 N GLY A 6 -4.884 -0.168 -12.291 1.00 0.00 N ATOM 70 CA GLY A 6 -4.437 -1.518 -12.060 1.00 0.00 C ATOM 71 C GLY A 6 -2.968 -1.630 -11.770 1.00 0.00 C ATOM 72 O GLY A 6 -2.475 -2.720 -11.465 1.00 0.00 O ATOM 0 HA2 GLY A 6 -4.996 -1.937 -11.223 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.672 -2.123 -12.936 1.00 0.00 H new ATOM 76 N GLN A 7 -2.255 -0.536 -11.857 1.00 0.00 N ATOM 77 CA GLN A 7 -0.857 -0.565 -11.539 1.00 0.00 C ATOM 78 C GLN A 7 -0.592 0.020 -10.187 1.00 0.00 C ATOM 79 O GLN A 7 -1.394 0.796 -9.649 1.00 0.00 O ATOM 80 CB GLN A 7 0.044 0.073 -12.585 1.00 0.00 C ATOM 81 CG GLN A 7 0.172 -0.680 -13.923 1.00 0.00 C ATOM 82 CD GLN A 7 -1.097 -0.735 -14.747 1.00 0.00 C ATOM 83 OE1 GLN A 7 -1.898 -1.651 -14.618 1.00 0.00 O ATOM 84 NE2 GLN A 7 -1.264 0.221 -15.615 1.00 0.00 N ATOM 0 H GLN A 7 -2.617 0.374 -12.142 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.595 -1.623 -11.531 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -0.328 1.077 -12.791 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.040 0.184 -12.157 1.00 0.00 H new ATOM 0 HG2 GLN A 7 0.953 -0.206 -14.517 1.00 0.00 H new ATOM 0 HG3 GLN A 7 0.500 -1.699 -13.720 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -0.573 0.967 -15.691 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.086 0.224 -16.219 1.00 0.00 H new ATOM 93 N VAL A 8 0.525 -0.346 -9.656 1.00 0.00 N ATOM 94 CA VAL A 8 0.943 0.049 -8.338 1.00 0.00 C ATOM 95 C VAL A 8 2.202 0.886 -8.461 1.00 0.00 C ATOM 96 O VAL A 8 3.122 0.514 -9.193 1.00 0.00 O ATOM 97 CB VAL A 8 1.245 -1.206 -7.471 1.00 0.00 C ATOM 98 CG1 VAL A 8 1.675 -0.820 -6.078 1.00 0.00 C ATOM 99 CG2 VAL A 8 0.040 -2.136 -7.414 1.00 0.00 C ATOM 0 H VAL A 8 1.198 -0.946 -10.134 1.00 0.00 H new ATOM 0 HA VAL A 8 0.148 0.623 -7.861 1.00 0.00 H new ATOM 0 HB VAL A 8 2.069 -1.739 -7.946 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.879 -1.720 -5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.577 -0.211 -6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.880 -0.250 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.280 -3.005 -6.801 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.807 -1.607 -6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.216 -2.462 -8.422 1.00 0.00 H new ATOM 109 N ILE A 9 2.249 1.998 -7.771 1.00 0.00 N ATOM 110 CA ILE A 9 3.393 2.872 -7.838 1.00 0.00 C ATOM 111 C ILE A 9 4.450 2.415 -6.839 1.00 0.00 C ATOM 112 O ILE A 9 4.213 2.403 -5.639 1.00 0.00 O ATOM 113 CB ILE A 9 3.035 4.380 -7.589 1.00 0.00 C ATOM 114 CG1 ILE A 9 2.118 4.957 -8.693 1.00 0.00 C ATOM 115 CG2 ILE A 9 4.290 5.228 -7.463 1.00 0.00 C ATOM 116 CD1 ILE A 9 0.690 4.445 -8.693 1.00 0.00 C ATOM 0 H ILE A 9 1.504 2.320 -7.153 1.00 0.00 H new ATOM 0 HA ILE A 9 3.781 2.808 -8.855 1.00 0.00 H new ATOM 0 HB ILE A 9 2.486 4.415 -6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.096 6.042 -8.592 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.564 4.736 -9.663 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.011 6.268 -7.291 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.889 4.870 -6.626 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.872 5.156 -8.382 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.136 4.913 -9.506 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.691 3.364 -8.830 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.216 4.690 -7.743 1.00 0.00 H new ATOM 128 N ALA A 10 5.586 2.014 -7.331 1.00 0.00 N ATOM 129 CA ALA A 10 6.655 1.559 -6.482 1.00 0.00 C ATOM 130 C ALA A 10 7.766 2.586 -6.450 1.00 0.00 C ATOM 131 O ALA A 10 8.443 2.815 -7.455 1.00 0.00 O ATOM 132 CB ALA A 10 7.181 0.209 -6.955 1.00 0.00 C ATOM 0 H ALA A 10 5.800 1.992 -8.328 1.00 0.00 H new ATOM 0 HA ALA A 10 6.268 1.434 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.989 -0.117 -6.299 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.375 -0.524 -6.930 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.556 0.301 -7.974 1.00 0.00 H new ATOM 138 N CYS A 11 7.933 3.223 -5.326 1.00 0.00 N ATOM 139 CA CYS A 11 8.964 4.185 -5.151 1.00 0.00 C ATOM 140 C CYS A 11 10.183 3.504 -4.563 1.00 0.00 C ATOM 141 O CYS A 11 10.060 2.588 -3.751 1.00 0.00 O ATOM 142 CB CYS A 11 8.474 5.289 -4.240 1.00 0.00 C ATOM 143 SG CYS A 11 6.972 6.102 -4.843 1.00 0.00 S ATOM 0 H CYS A 11 7.348 3.082 -4.503 1.00 0.00 H new ATOM 0 HA CYS A 11 9.235 4.624 -6.111 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.282 4.875 -3.250 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.262 6.034 -4.127 1.00 0.00 H new ATOM 0 HG CYS A 11 6.021 5.962 -3.967 1.00 0.00 H new ATOM 149 N HIS A 12 11.345 3.919 -4.990 1.00 0.00 N ATOM 150 CA HIS A 12 12.578 3.324 -4.519 1.00 0.00 C ATOM 151 C HIS A 12 13.458 4.367 -3.855 1.00 0.00 C ATOM 152 O HIS A 12 14.627 4.103 -3.533 1.00 0.00 O ATOM 153 CB HIS A 12 13.329 2.623 -5.668 1.00 0.00 C ATOM 154 CG HIS A 12 12.557 1.503 -6.319 1.00 0.00 C ATOM 155 ND1 HIS A 12 12.768 0.180 -6.029 1.00 0.00 N ATOM 156 CD2 HIS A 12 11.570 1.521 -7.250 1.00 0.00 C ATOM 157 CE1 HIS A 12 11.955 -0.564 -6.736 1.00 0.00 C ATOM 158 NE2 HIS A 12 11.215 0.219 -7.487 1.00 0.00 N ATOM 0 H HIS A 12 11.470 4.671 -5.667 1.00 0.00 H new ATOM 0 HA HIS A 12 12.325 2.568 -3.775 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.582 3.364 -6.427 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.269 2.226 -5.284 1.00 0.00 H new ATOM 0 HD1 HIS A 12 13.455 -0.172 -5.362 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.144 2.397 -7.717 1.00 0.00 H new ATOM 0 HE1 HIS A 12 11.902 -1.642 -6.706 1.00 0.00 H new ATOM 167 N THR A 13 12.899 5.550 -3.634 1.00 0.00 N ATOM 168 CA THR A 13 13.601 6.620 -2.952 1.00 0.00 C ATOM 169 C THR A 13 12.699 7.209 -1.880 1.00 0.00 C ATOM 170 O THR A 13 11.472 7.301 -2.073 1.00 0.00 O ATOM 171 CB THR A 13 14.051 7.754 -3.925 1.00 0.00 C ATOM 172 OG1 THR A 13 12.917 8.289 -4.621 1.00 0.00 O ATOM 173 CG2 THR A 13 15.075 7.257 -4.927 1.00 0.00 C ATOM 0 H THR A 13 11.951 5.790 -3.922 1.00 0.00 H new ATOM 0 HA THR A 13 14.500 6.191 -2.509 1.00 0.00 H new ATOM 0 HB THR A 13 14.515 8.537 -3.325 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.095 8.038 -4.150 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.364 8.074 -5.587 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.954 6.890 -4.397 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.644 6.449 -5.518 1.00 0.00 H new ATOM 181 N VAL A 14 13.282 7.601 -0.753 1.00 0.00 N ATOM 182 CA VAL A 14 12.512 8.197 0.330 1.00 0.00 C ATOM 183 C VAL A 14 12.002 9.576 -0.100 1.00 0.00 C ATOM 184 O VAL A 14 10.975 10.050 0.367 1.00 0.00 O ATOM 185 CB VAL A 14 13.336 8.294 1.664 1.00 0.00 C ATOM 186 CG1 VAL A 14 14.562 9.178 1.509 1.00 0.00 C ATOM 187 CG2 VAL A 14 12.469 8.773 2.824 1.00 0.00 C ATOM 0 H VAL A 14 14.281 7.517 -0.567 1.00 0.00 H new ATOM 0 HA VAL A 14 11.663 7.545 0.536 1.00 0.00 H new ATOM 0 HB VAL A 14 13.682 7.286 1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 14 15.103 9.218 2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 14 15.211 8.767 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.252 10.184 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 14 13.072 8.828 3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.067 9.760 2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.647 8.074 2.977 1.00 0.00 H new ATOM 197 N GLU A 15 12.723 10.182 -1.040 1.00 0.00 N ATOM 198 CA GLU A 15 12.371 11.476 -1.574 1.00 0.00 C ATOM 199 C GLU A 15 11.022 11.403 -2.291 1.00 0.00 C ATOM 200 O GLU A 15 10.113 12.188 -2.002 1.00 0.00 O ATOM 201 CB GLU A 15 13.427 11.921 -2.560 1.00 0.00 C ATOM 202 CG GLU A 15 13.192 13.305 -3.109 1.00 0.00 C ATOM 203 CD GLU A 15 14.163 13.665 -4.186 1.00 0.00 C ATOM 204 OE1 GLU A 15 13.887 13.347 -5.358 1.00 0.00 O ATOM 205 OE2 GLU A 15 15.217 14.276 -3.884 1.00 0.00 O ATOM 0 H GLU A 15 13.568 9.781 -1.447 1.00 0.00 H new ATOM 0 HA GLU A 15 12.305 12.188 -0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.402 11.892 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.462 11.212 -3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.178 13.369 -3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.266 14.031 -2.299 1.00 0.00 H new ATOM 212 N THR A 16 10.888 10.446 -3.206 1.00 0.00 N ATOM 213 CA THR A 16 9.650 10.282 -3.940 1.00 0.00 C ATOM 214 C THR A 16 8.540 9.805 -2.994 1.00 0.00 C ATOM 215 O THR A 16 7.401 10.195 -3.125 1.00 0.00 O ATOM 216 CB THR A 16 9.821 9.313 -5.134 1.00 0.00 C ATOM 217 OG1 THR A 16 10.891 9.789 -5.981 1.00 0.00 O ATOM 218 CG2 THR A 16 8.542 9.230 -5.964 1.00 0.00 C ATOM 0 H THR A 16 11.620 9.779 -3.451 1.00 0.00 H new ATOM 0 HA THR A 16 9.366 11.250 -4.353 1.00 0.00 H new ATOM 0 HB THR A 16 10.049 8.322 -4.741 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.736 9.378 -5.702 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.692 8.542 -6.796 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.725 8.870 -5.338 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.295 10.218 -6.351 1.00 0.00 H new ATOM 226 N TRP A 17 8.909 8.990 -2.025 1.00 0.00 N ATOM 227 CA TRP A 17 7.983 8.551 -0.989 1.00 0.00 C ATOM 228 C TRP A 17 7.413 9.756 -0.213 1.00 0.00 C ATOM 229 O TRP A 17 6.198 9.862 -0.005 1.00 0.00 O ATOM 230 CB TRP A 17 8.686 7.560 -0.057 1.00 0.00 C ATOM 231 CG TRP A 17 7.947 7.256 1.199 1.00 0.00 C ATOM 232 CD1 TRP A 17 8.347 7.578 2.454 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.675 6.609 1.335 1.00 0.00 C ATOM 234 NE1 TRP A 17 7.433 7.154 3.365 1.00 0.00 N ATOM 235 CE2 TRP A 17 6.391 6.557 2.711 1.00 0.00 C ATOM 236 CE3 TRP A 17 5.756 6.068 0.435 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.228 5.985 3.211 1.00 0.00 C ATOM 238 CZ3 TRP A 17 4.600 5.502 0.935 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.349 5.465 2.312 1.00 0.00 C ATOM 0 H TRP A 17 9.852 8.613 -1.930 1.00 0.00 H new ATOM 0 HA TRP A 17 7.139 8.044 -1.456 1.00 0.00 H new ATOM 0 HB2 TRP A 17 8.853 6.629 -0.598 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.667 7.959 0.202 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.262 8.098 2.695 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.511 7.264 4.376 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.945 6.091 -0.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.029 5.954 4.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.877 5.081 0.252 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.436 5.013 2.669 1.00 0.00 H new ATOM 250 N ASN A 18 8.298 10.656 0.189 1.00 0.00 N ATOM 251 CA ASN A 18 7.920 11.888 0.888 1.00 0.00 C ATOM 252 C ASN A 18 6.973 12.709 0.008 1.00 0.00 C ATOM 253 O ASN A 18 5.972 13.263 0.481 1.00 0.00 O ATOM 254 CB ASN A 18 9.178 12.709 1.195 1.00 0.00 C ATOM 255 CG ASN A 18 8.891 13.981 1.963 1.00 0.00 C ATOM 256 OD1 ASN A 18 7.962 14.046 2.773 1.00 0.00 O ATOM 257 ND2 ASN A 18 9.668 15.007 1.708 1.00 0.00 N ATOM 0 H ASN A 18 9.303 10.558 0.042 1.00 0.00 H new ATOM 0 HA ASN A 18 7.416 11.635 1.821 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.873 12.095 1.769 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.675 12.963 0.259 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.514 15.895 2.186 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.427 14.917 1.032 1.00 0.00 H new ATOM 264 N GLU A 19 7.304 12.746 -1.278 1.00 0.00 N ATOM 265 CA GLU A 19 6.536 13.430 -2.313 1.00 0.00 C ATOM 266 C GLU A 19 5.097 12.867 -2.355 1.00 0.00 C ATOM 267 O GLU A 19 4.120 13.625 -2.387 1.00 0.00 O ATOM 268 CB GLU A 19 7.242 13.184 -3.661 1.00 0.00 C ATOM 269 CG GLU A 19 6.664 13.885 -4.877 1.00 0.00 C ATOM 270 CD GLU A 19 6.804 15.380 -4.814 1.00 0.00 C ATOM 271 OE1 GLU A 19 7.952 15.884 -4.822 1.00 0.00 O ATOM 272 OE2 GLU A 19 5.793 16.072 -4.746 1.00 0.00 O ATOM 0 H GLU A 19 8.140 12.287 -1.640 1.00 0.00 H new ATOM 0 HA GLU A 19 6.478 14.499 -2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.284 13.487 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.239 12.111 -3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.163 13.516 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.609 13.628 -4.971 1.00 0.00 H new ATOM 279 N GLN A 20 4.988 11.539 -2.328 1.00 0.00 N ATOM 280 CA GLN A 20 3.735 10.850 -2.366 1.00 0.00 C ATOM 281 C GLN A 20 2.886 11.154 -1.144 1.00 0.00 C ATOM 282 O GLN A 20 1.698 11.428 -1.266 1.00 0.00 O ATOM 283 CB GLN A 20 3.989 9.376 -2.455 1.00 0.00 C ATOM 284 CG GLN A 20 4.751 8.910 -3.695 1.00 0.00 C ATOM 285 CD GLN A 20 4.026 9.132 -5.017 1.00 0.00 C ATOM 286 OE1 GLN A 20 3.223 10.057 -5.186 1.00 0.00 O ATOM 287 NE2 GLN A 20 4.312 8.285 -5.964 1.00 0.00 N ATOM 0 H GLN A 20 5.794 10.916 -2.278 1.00 0.00 H new ATOM 0 HA GLN A 20 3.183 11.192 -3.241 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.547 9.068 -1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.030 8.858 -2.424 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.709 9.429 -3.731 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.969 7.847 -3.591 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.979 7.533 -5.791 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.869 8.374 -6.878 1.00 0.00 H new ATOM 296 N LEU A 21 3.497 11.117 0.035 1.00 0.00 N ATOM 297 CA LEU A 21 2.816 11.400 1.251 1.00 0.00 C ATOM 298 C LEU A 21 2.348 12.827 1.302 1.00 0.00 C ATOM 299 O LEU A 21 1.231 13.108 1.745 1.00 0.00 O ATOM 300 CB LEU A 21 3.717 11.115 2.403 1.00 0.00 C ATOM 301 CG LEU A 21 4.068 9.661 2.691 1.00 0.00 C ATOM 302 CD1 LEU A 21 4.992 9.588 3.893 1.00 0.00 C ATOM 303 CD2 LEU A 21 2.807 8.839 2.940 1.00 0.00 C ATOM 0 H LEU A 21 4.484 10.887 0.153 1.00 0.00 H new ATOM 0 HA LEU A 21 1.934 10.761 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.648 11.658 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.256 11.532 3.299 1.00 0.00 H new ATOM 0 HG LEU A 21 4.577 9.244 1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.242 8.547 4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.905 10.146 3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.494 10.019 4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.082 7.804 3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.270 9.247 3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.167 8.878 2.058 1.00 0.00 H new ATOM 315 N GLN A 22 3.193 13.721 0.858 1.00 0.00 N ATOM 316 CA GLN A 22 2.853 15.113 0.780 1.00 0.00 C ATOM 317 C GLN A 22 1.662 15.295 -0.158 1.00 0.00 C ATOM 318 O GLN A 22 0.746 16.066 0.132 1.00 0.00 O ATOM 319 CB GLN A 22 4.061 15.937 0.316 1.00 0.00 C ATOM 320 CG GLN A 22 3.791 17.425 0.149 1.00 0.00 C ATOM 321 CD GLN A 22 3.331 18.105 1.426 1.00 0.00 C ATOM 322 OE1 GLN A 22 4.135 18.600 2.209 1.00 0.00 O ATOM 323 NE2 GLN A 22 2.050 18.146 1.636 1.00 0.00 N ATOM 0 H GLN A 22 4.137 13.501 0.540 1.00 0.00 H new ATOM 0 HA GLN A 22 2.573 15.473 1.770 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.870 15.807 1.035 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.413 15.537 -0.635 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.699 17.913 -0.206 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.032 17.564 -0.621 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.409 17.724 0.964 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.685 18.600 2.473 1.00 0.00 H new ATOM 332 N LYS A 23 1.663 14.549 -1.245 1.00 0.00 N ATOM 333 CA LYS A 23 0.596 14.600 -2.219 1.00 0.00 C ATOM 334 C LYS A 23 -0.702 14.045 -1.629 1.00 0.00 C ATOM 335 O LYS A 23 -1.762 14.647 -1.780 1.00 0.00 O ATOM 336 CB LYS A 23 0.994 13.838 -3.491 1.00 0.00 C ATOM 337 CG LYS A 23 -0.049 13.873 -4.597 1.00 0.00 C ATOM 338 CD LYS A 23 0.433 13.164 -5.864 1.00 0.00 C ATOM 339 CE LYS A 23 1.660 13.849 -6.467 1.00 0.00 C ATOM 340 NZ LYS A 23 2.086 13.210 -7.736 1.00 0.00 N ATOM 0 H LYS A 23 2.406 13.890 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 23 0.422 15.642 -2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.925 14.255 -3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.194 12.799 -3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.966 13.401 -4.245 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.293 14.909 -4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.674 12.127 -5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.372 13.147 -6.599 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.436 14.900 -6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.481 13.817 -5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.920 13.705 -8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.325 12.213 -7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.312 13.263 -8.428 1.00 0.00 H new ATOM 354 N ALA A 24 -0.609 12.912 -0.927 1.00 0.00 N ATOM 355 CA ALA A 24 -1.784 12.291 -0.325 1.00 0.00 C ATOM 356 C ALA A 24 -2.390 13.196 0.740 1.00 0.00 C ATOM 357 O ALA A 24 -3.603 13.298 0.868 1.00 0.00 O ATOM 358 CB ALA A 24 -1.428 10.938 0.267 1.00 0.00 C ATOM 0 H ALA A 24 0.264 12.411 -0.764 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.527 12.141 -1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.317 10.490 0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.047 10.286 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.664 11.066 1.034 1.00 0.00 H new ATOM 364 N ASN A 25 -1.527 13.861 1.468 1.00 0.00 N ATOM 365 CA ASN A 25 -1.916 14.770 2.540 1.00 0.00 C ATOM 366 C ASN A 25 -2.592 15.996 1.974 1.00 0.00 C ATOM 367 O ASN A 25 -3.715 16.352 2.353 1.00 0.00 O ATOM 368 CB ASN A 25 -0.655 15.228 3.260 1.00 0.00 C ATOM 369 CG ASN A 25 -0.921 16.081 4.489 1.00 0.00 C ATOM 370 OD1 ASN A 25 -1.960 15.956 5.151 1.00 0.00 O ATOM 371 ND2 ASN A 25 0.022 16.929 4.816 1.00 0.00 N ATOM 0 H ASN A 25 -0.518 13.791 1.338 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.600 14.253 3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.079 14.351 3.556 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.037 15.795 2.564 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.085 17.517 5.643 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.863 17.002 4.244 1.00 0.00 H new ATOM 378 N GLU A 26 -1.904 16.618 1.060 1.00 0.00 N ATOM 379 CA GLU A 26 -2.334 17.878 0.464 1.00 0.00 C ATOM 380 C GLU A 26 -3.545 17.732 -0.460 1.00 0.00 C ATOM 381 O GLU A 26 -4.480 18.528 -0.390 1.00 0.00 O ATOM 382 CB GLU A 26 -1.179 18.493 -0.305 1.00 0.00 C ATOM 383 CG GLU A 26 -1.508 19.797 -0.977 1.00 0.00 C ATOM 384 CD GLU A 26 -0.359 20.328 -1.751 1.00 0.00 C ATOM 385 OE1 GLU A 26 0.495 21.006 -1.158 1.00 0.00 O ATOM 386 OE2 GLU A 26 -0.290 20.082 -2.967 1.00 0.00 O ATOM 0 H GLU A 26 -1.017 16.272 0.695 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.643 18.526 1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.345 18.650 0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.842 17.783 -1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.360 19.657 -1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.807 20.527 -0.225 1.00 0.00 H new ATOM 393 N SER A 27 -3.540 16.727 -1.296 1.00 0.00 N ATOM 394 CA SER A 27 -4.597 16.554 -2.248 1.00 0.00 C ATOM 395 C SER A 27 -5.697 15.640 -1.725 1.00 0.00 C ATOM 396 O SER A 27 -6.664 15.356 -2.443 1.00 0.00 O ATOM 397 CB SER A 27 -4.022 16.040 -3.555 1.00 0.00 C ATOM 398 OG SER A 27 -3.064 16.965 -4.077 1.00 0.00 O ATOM 0 H SER A 27 -2.811 16.015 -1.334 1.00 0.00 H new ATOM 0 HA SER A 27 -5.064 17.523 -2.422 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.551 15.070 -3.396 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.824 15.890 -4.278 1.00 0.00 H new ATOM 0 HG SER A 27 -2.701 16.619 -4.919 1.00 0.00 H new ATOM 404 N LYS A 28 -5.546 15.192 -0.465 1.00 0.00 N ATOM 405 CA LYS A 28 -6.525 14.329 0.207 1.00 0.00 C ATOM 406 C LYS A 28 -6.755 13.063 -0.598 1.00 0.00 C ATOM 407 O LYS A 28 -7.873 12.571 -0.713 1.00 0.00 O ATOM 408 CB LYS A 28 -7.837 15.060 0.399 1.00 0.00 C ATOM 409 CG LYS A 28 -7.733 16.351 1.196 1.00 0.00 C ATOM 410 CD LYS A 28 -9.098 16.983 1.406 1.00 0.00 C ATOM 411 CE LYS A 28 -9.808 17.242 0.084 1.00 0.00 C ATOM 412 NZ LYS A 28 -11.118 17.890 0.281 1.00 0.00 N ATOM 0 H LYS A 28 -4.738 15.421 0.114 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.126 14.060 1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.258 15.286 -0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.539 14.394 0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.272 16.148 2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.082 17.052 0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.711 16.328 2.026 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.985 17.922 1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.182 17.873 -0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.945 16.299 -0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.569 18.049 -0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.725 17.277 0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.985 18.802 0.763 1.00 0.00 H new ATOM 426 N THR A 29 -5.698 12.527 -1.116 1.00 0.00 N ATOM 427 CA THR A 29 -5.775 11.360 -1.927 1.00 0.00 C ATOM 428 C THR A 29 -5.843 10.111 -1.039 1.00 0.00 C ATOM 429 O THR A 29 -5.225 10.043 0.036 1.00 0.00 O ATOM 430 CB THR A 29 -4.566 11.275 -2.836 1.00 0.00 C ATOM 431 OG1 THR A 29 -4.368 12.556 -3.468 1.00 0.00 O ATOM 432 CG2 THR A 29 -4.784 10.241 -3.921 1.00 0.00 C ATOM 0 H THR A 29 -4.753 12.889 -0.987 1.00 0.00 H new ATOM 0 HA THR A 29 -6.675 11.416 -2.539 1.00 0.00 H new ATOM 0 HB THR A 29 -3.699 10.993 -2.238 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.586 12.513 -4.058 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.904 10.196 -4.563 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.951 9.265 -3.465 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.654 10.517 -4.517 1.00 0.00 H new ATOM 440 N LEU A 30 -6.590 9.160 -1.478 1.00 0.00 N ATOM 441 CA LEU A 30 -6.794 7.934 -0.763 1.00 0.00 C ATOM 442 C LEU A 30 -5.729 6.951 -1.258 1.00 0.00 C ATOM 443 O LEU A 30 -5.710 6.579 -2.443 1.00 0.00 O ATOM 444 CB LEU A 30 -8.240 7.425 -1.032 1.00 0.00 C ATOM 445 CG LEU A 30 -8.804 6.265 -0.170 1.00 0.00 C ATOM 446 CD1 LEU A 30 -10.262 6.060 -0.497 1.00 0.00 C ATOM 447 CD2 LEU A 30 -8.064 4.962 -0.394 1.00 0.00 C ATOM 0 H LEU A 30 -7.092 9.207 -2.365 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.695 8.057 0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.914 8.275 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.290 7.113 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.674 6.547 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.659 5.245 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.815 6.974 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.367 5.812 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.499 4.184 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.147 4.672 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.013 5.091 -0.135 1.00 0.00 H new ATOM 459 N VAL A 31 -4.845 6.569 -0.380 1.00 0.00 N ATOM 460 CA VAL A 31 -3.735 5.747 -0.753 1.00 0.00 C ATOM 461 C VAL A 31 -3.631 4.493 0.125 1.00 0.00 C ATOM 462 O VAL A 31 -3.891 4.538 1.330 1.00 0.00 O ATOM 463 CB VAL A 31 -2.408 6.573 -0.708 1.00 0.00 C ATOM 464 CG1 VAL A 31 -2.136 7.127 0.683 1.00 0.00 C ATOM 465 CG2 VAL A 31 -1.226 5.763 -1.208 1.00 0.00 C ATOM 0 H VAL A 31 -4.875 6.818 0.609 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.902 5.408 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.540 7.419 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.206 7.695 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.956 7.780 0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.051 6.304 1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.323 6.371 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.101 4.879 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.405 5.457 -2.239 1.00 0.00 H new ATOM 475 N VAL A 32 -3.297 3.389 -0.491 1.00 0.00 N ATOM 476 CA VAL A 32 -3.035 2.154 0.204 1.00 0.00 C ATOM 477 C VAL A 32 -1.582 1.794 -0.026 1.00 0.00 C ATOM 478 O VAL A 32 -1.133 1.691 -1.177 1.00 0.00 O ATOM 479 CB VAL A 32 -3.944 1.011 -0.273 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.612 -0.287 0.456 1.00 0.00 C ATOM 481 CG2 VAL A 32 -5.408 1.364 -0.074 1.00 0.00 C ATOM 0 H VAL A 32 -3.198 3.321 -1.504 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.244 2.294 1.265 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.765 0.866 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.269 -1.082 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.575 -0.559 0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.755 -0.149 1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.031 0.539 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.598 1.544 0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.646 2.262 -0.644 1.00 0.00 H new ATOM 491 N VAL A 33 -0.847 1.628 1.038 1.00 0.00 N ATOM 492 CA VAL A 33 0.567 1.396 0.939 1.00 0.00 C ATOM 493 C VAL A 33 0.934 -0.015 1.387 1.00 0.00 C ATOM 494 O VAL A 33 0.522 -0.476 2.456 1.00 0.00 O ATOM 495 CB VAL A 33 1.371 2.429 1.769 1.00 0.00 C ATOM 496 CG1 VAL A 33 2.861 2.234 1.569 1.00 0.00 C ATOM 497 CG2 VAL A 33 0.960 3.854 1.411 1.00 0.00 C ATOM 0 H VAL A 33 -1.208 1.649 1.992 1.00 0.00 H new ATOM 0 HA VAL A 33 0.831 1.510 -0.113 1.00 0.00 H new ATOM 0 HB VAL A 33 1.144 2.267 2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.407 2.969 2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.143 1.230 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.106 2.362 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.538 4.560 2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.149 4.032 0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.102 3.989 1.618 1.00 0.00 H new ATOM 507 N ASP A 34 1.687 -0.670 0.559 1.00 0.00 N ATOM 508 CA ASP A 34 2.207 -2.004 0.795 1.00 0.00 C ATOM 509 C ASP A 34 3.677 -1.933 1.162 1.00 0.00 C ATOM 510 O ASP A 34 4.480 -1.374 0.408 1.00 0.00 O ATOM 511 CB ASP A 34 2.040 -2.823 -0.488 1.00 0.00 C ATOM 512 CG ASP A 34 2.849 -4.105 -0.527 1.00 0.00 C ATOM 513 OD1 ASP A 34 4.014 -4.055 -0.999 1.00 0.00 O ATOM 514 OD2 ASP A 34 2.336 -5.161 -0.184 1.00 0.00 O ATOM 0 H ASP A 34 1.975 -0.284 -0.340 1.00 0.00 H new ATOM 0 HA ASP A 34 1.664 -2.471 1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.986 -3.070 -0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.324 -2.203 -1.339 1.00 0.00 H new ATOM 519 N PHE A 35 4.031 -2.452 2.317 1.00 0.00 N ATOM 520 CA PHE A 35 5.398 -2.528 2.690 1.00 0.00 C ATOM 521 C PHE A 35 5.822 -3.994 2.688 1.00 0.00 C ATOM 522 O PHE A 35 5.335 -4.796 3.510 1.00 0.00 O ATOM 523 CB PHE A 35 5.571 -1.989 4.107 1.00 0.00 C ATOM 524 CG PHE A 35 5.196 -0.546 4.325 1.00 0.00 C ATOM 525 CD1 PHE A 35 6.131 0.461 4.150 1.00 0.00 C ATOM 526 CD2 PHE A 35 3.914 -0.201 4.729 1.00 0.00 C ATOM 527 CE1 PHE A 35 5.794 1.783 4.372 1.00 0.00 C ATOM 528 CE2 PHE A 35 3.572 1.119 4.950 1.00 0.00 C ATOM 529 CZ PHE A 35 4.514 2.111 4.773 1.00 0.00 C ATOM 0 H PHE A 35 3.378 -2.825 3.006 1.00 0.00 H new ATOM 0 HA PHE A 35 5.999 -1.946 1.992 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.974 -2.603 4.781 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.614 -2.119 4.397 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.134 0.211 3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.174 -0.975 4.872 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.532 2.559 4.232 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.569 1.374 5.261 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.251 3.144 4.948 1.00 0.00 H new ATOM 539 N THR A 36 6.713 -4.343 1.799 1.00 0.00 N ATOM 540 CA THR A 36 7.230 -5.675 1.721 1.00 0.00 C ATOM 541 C THR A 36 8.581 -5.642 0.999 1.00 0.00 C ATOM 542 O THR A 36 9.026 -4.582 0.590 1.00 0.00 O ATOM 543 CB THR A 36 6.225 -6.638 1.017 1.00 0.00 C ATOM 544 OG1 THR A 36 6.682 -7.974 1.100 1.00 0.00 O ATOM 545 CG2 THR A 36 6.041 -6.300 -0.441 1.00 0.00 C ATOM 0 H THR A 36 7.101 -3.703 1.105 1.00 0.00 H new ATOM 0 HA THR A 36 7.374 -6.064 2.729 1.00 0.00 H new ATOM 0 HB THR A 36 5.272 -6.522 1.532 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.959 -8.281 0.211 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.333 -6.997 -0.890 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.658 -5.284 -0.533 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.999 -6.375 -0.956 1.00 0.00 H new ATOM 553 N ALA A 37 9.227 -6.774 0.875 1.00 0.00 N ATOM 554 CA ALA A 37 10.482 -6.878 0.155 1.00 0.00 C ATOM 555 C ALA A 37 10.434 -8.103 -0.720 1.00 0.00 C ATOM 556 O ALA A 37 9.924 -9.152 -0.289 1.00 0.00 O ATOM 557 CB ALA A 37 11.670 -6.940 1.100 1.00 0.00 C ATOM 0 H ALA A 37 8.900 -7.656 1.270 1.00 0.00 H new ATOM 0 HA ALA A 37 10.613 -5.986 -0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.591 -7.017 0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.698 -6.036 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.574 -7.811 1.748 1.00 0.00 H new ATOM 563 N SER A 38 10.972 -7.992 -1.915 1.00 0.00 N ATOM 564 CA SER A 38 10.909 -9.058 -2.912 1.00 0.00 C ATOM 565 C SER A 38 11.627 -10.354 -2.480 1.00 0.00 C ATOM 566 O SER A 38 11.365 -11.412 -3.039 1.00 0.00 O ATOM 567 CB SER A 38 11.438 -8.557 -4.273 1.00 0.00 C ATOM 568 OG SER A 38 11.367 -9.577 -5.289 1.00 0.00 O ATOM 0 H SER A 38 11.469 -7.160 -2.231 1.00 0.00 H new ATOM 0 HA SER A 38 9.856 -9.323 -3.012 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.859 -7.689 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.471 -8.228 -4.161 1.00 0.00 H new ATOM 0 HG SER A 38 11.709 -9.220 -6.135 1.00 0.00 H new ATOM 574 N TRP A 39 12.504 -10.283 -1.491 1.00 0.00 N ATOM 575 CA TRP A 39 13.235 -11.474 -1.055 1.00 0.00 C ATOM 576 C TRP A 39 12.411 -12.391 -0.140 1.00 0.00 C ATOM 577 O TRP A 39 12.831 -13.503 0.181 1.00 0.00 O ATOM 578 CB TRP A 39 14.606 -11.131 -0.434 1.00 0.00 C ATOM 579 CG TRP A 39 14.607 -10.142 0.712 1.00 0.00 C ATOM 580 CD1 TRP A 39 15.057 -8.867 0.655 1.00 0.00 C ATOM 581 CD2 TRP A 39 14.156 -10.342 2.073 1.00 0.00 C ATOM 582 NE1 TRP A 39 14.935 -8.260 1.877 1.00 0.00 N ATOM 583 CE2 TRP A 39 14.380 -9.135 2.762 1.00 0.00 C ATOM 584 CE3 TRP A 39 13.590 -11.413 2.774 1.00 0.00 C ATOM 585 CZ2 TRP A 39 14.064 -8.968 4.106 1.00 0.00 C ATOM 586 CZ3 TRP A 39 13.274 -11.244 4.109 1.00 0.00 C ATOM 587 CH2 TRP A 39 13.511 -10.029 4.760 1.00 0.00 C ATOM 0 H TRP A 39 12.728 -9.430 -0.979 1.00 0.00 H new ATOM 0 HA TRP A 39 13.427 -12.043 -1.964 1.00 0.00 H new ATOM 0 HB2 TRP A 39 15.062 -12.057 -0.084 1.00 0.00 H new ATOM 0 HB3 TRP A 39 15.248 -10.738 -1.223 1.00 0.00 H new ATOM 0 HD1 TRP A 39 15.456 -8.394 -0.230 1.00 0.00 H new ATOM 0 HE1 TRP A 39 15.216 -7.303 2.091 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.403 -12.355 2.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 14.250 -8.033 4.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 12.837 -12.064 4.659 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.250 -9.929 5.803 1.00 0.00 H new ATOM 598 N CYS A 40 11.251 -11.934 0.259 1.00 0.00 N ATOM 599 CA CYS A 40 10.390 -12.709 1.127 1.00 0.00 C ATOM 600 C CYS A 40 9.356 -13.470 0.307 1.00 0.00 C ATOM 601 O CYS A 40 8.637 -12.874 -0.489 1.00 0.00 O ATOM 602 CB CYS A 40 9.721 -11.792 2.158 1.00 0.00 C ATOM 603 SG CYS A 40 8.479 -12.597 3.227 1.00 0.00 S ATOM 0 H CYS A 40 10.876 -11.023 -0.004 1.00 0.00 H new ATOM 0 HA CYS A 40 10.991 -13.442 1.665 1.00 0.00 H new ATOM 0 HB2 CYS A 40 10.495 -11.359 2.791 1.00 0.00 H new ATOM 0 HB3 CYS A 40 9.242 -10.967 1.630 1.00 0.00 H new ATOM 608 N GLY A 41 9.296 -14.780 0.515 1.00 0.00 N ATOM 609 CA GLY A 41 8.401 -15.665 -0.241 1.00 0.00 C ATOM 610 C GLY A 41 6.922 -15.342 -0.081 1.00 0.00 C ATOM 611 O GLY A 41 6.278 -14.945 -1.050 1.00 0.00 O ATOM 0 H GLY A 41 9.864 -15.264 1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.661 -15.609 -1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.573 -16.694 0.076 1.00 0.00 H new ATOM 615 N PRO A 42 6.343 -15.495 1.145 1.00 0.00 N ATOM 616 CA PRO A 42 4.913 -15.211 1.396 1.00 0.00 C ATOM 617 C PRO A 42 4.573 -13.771 1.056 1.00 0.00 C ATOM 618 O PRO A 42 3.467 -13.451 0.621 1.00 0.00 O ATOM 619 CB PRO A 42 4.759 -15.428 2.906 1.00 0.00 C ATOM 620 CG PRO A 42 5.903 -16.297 3.295 1.00 0.00 C ATOM 621 CD PRO A 42 7.028 -15.963 2.366 1.00 0.00 C ATOM 0 HA PRO A 42 4.257 -15.839 0.793 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.784 -14.481 3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.806 -15.903 3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.190 -16.119 4.331 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.634 -17.350 3.215 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.676 -15.192 2.782 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.654 -16.832 2.166 1.00 0.00 H new ATOM 629 N CYS A 43 5.542 -12.928 1.237 1.00 0.00 N ATOM 630 CA CYS A 43 5.423 -11.523 0.987 1.00 0.00 C ATOM 631 C CYS A 43 5.334 -11.246 -0.522 1.00 0.00 C ATOM 632 O CYS A 43 4.625 -10.351 -0.956 1.00 0.00 O ATOM 633 CB CYS A 43 6.639 -10.854 1.557 1.00 0.00 C ATOM 634 SG CYS A 43 6.962 -11.246 3.309 1.00 0.00 S ATOM 0 H CYS A 43 6.464 -13.205 1.572 1.00 0.00 H new ATOM 0 HA CYS A 43 4.515 -11.137 1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.508 -11.143 0.966 1.00 0.00 H new ATOM 0 HB3 CYS A 43 6.527 -9.775 1.453 1.00 0.00 H new ATOM 639 N ARG A 44 6.067 -12.014 -1.307 1.00 0.00 N ATOM 640 CA ARG A 44 6.026 -11.895 -2.751 1.00 0.00 C ATOM 641 C ARG A 44 4.742 -12.554 -3.254 1.00 0.00 C ATOM 642 O ARG A 44 4.128 -12.097 -4.200 1.00 0.00 O ATOM 643 CB ARG A 44 7.321 -12.530 -3.356 1.00 0.00 C ATOM 644 CG ARG A 44 7.517 -12.445 -4.885 1.00 0.00 C ATOM 645 CD ARG A 44 6.579 -13.359 -5.659 1.00 0.00 C ATOM 646 NE ARG A 44 6.785 -13.285 -7.104 1.00 0.00 N ATOM 647 CZ ARG A 44 6.261 -14.144 -7.986 1.00 0.00 C ATOM 648 NH1 ARG A 44 5.525 -15.174 -7.569 1.00 0.00 N ATOM 649 NH2 ARG A 44 6.483 -13.985 -9.285 1.00 0.00 N ATOM 0 H ARG A 44 6.703 -12.733 -0.963 1.00 0.00 H new ATOM 0 HA ARG A 44 6.008 -10.853 -3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.180 -12.056 -2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.341 -13.583 -3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.361 -11.416 -5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.548 -12.703 -5.128 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.725 -14.387 -5.328 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.547 -13.093 -5.429 1.00 0.00 H new ATOM 0 HE ARG A 44 7.367 -12.528 -7.464 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.358 -15.311 -6.572 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.129 -15.825 -8.247 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.054 -13.206 -9.613 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.082 -14.641 -9.955 1.00 0.00 H new ATOM 663 N PHE A 45 4.341 -13.612 -2.570 1.00 0.00 N ATOM 664 CA PHE A 45 3.117 -14.360 -2.866 1.00 0.00 C ATOM 665 C PHE A 45 1.866 -13.475 -2.767 1.00 0.00 C ATOM 666 O PHE A 45 0.907 -13.650 -3.523 1.00 0.00 O ATOM 667 CB PHE A 45 3.010 -15.555 -1.890 1.00 0.00 C ATOM 668 CG PHE A 45 1.742 -16.375 -1.988 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.629 -17.396 -2.912 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.664 -16.120 -1.142 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.476 -18.148 -2.997 1.00 0.00 C ATOM 672 CE2 PHE A 45 -0.489 -16.869 -1.226 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.583 -17.885 -2.155 1.00 0.00 C ATOM 0 H PHE A 45 4.862 -13.987 -1.778 1.00 0.00 H new ATOM 0 HA PHE A 45 3.172 -14.720 -3.893 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.861 -16.215 -2.059 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.098 -15.177 -0.872 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.454 -17.608 -3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.733 -15.327 -0.413 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.403 -18.943 -3.724 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.318 -16.661 -0.566 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.486 -18.474 -2.222 1.00 0.00 H new ATOM 683 N ILE A 46 1.887 -12.519 -1.862 1.00 0.00 N ATOM 684 CA ILE A 46 0.715 -11.689 -1.625 1.00 0.00 C ATOM 685 C ILE A 46 0.709 -10.463 -2.581 1.00 0.00 C ATOM 686 O ILE A 46 -0.333 -9.835 -2.810 1.00 0.00 O ATOM 687 CB ILE A 46 0.672 -11.215 -0.129 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.708 -10.693 0.256 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.724 -10.159 0.154 1.00 0.00 C ATOM 690 CD1 ILE A 46 -1.761 -11.772 0.273 1.00 0.00 C ATOM 0 H ILE A 46 2.694 -12.295 -1.280 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.174 -12.287 -1.826 1.00 0.00 H new ATOM 0 HB ILE A 46 0.891 -12.091 0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.654 -10.230 1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.005 -9.914 -0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.663 -9.856 1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.714 -10.568 -0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.552 -9.293 -0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.721 -11.339 0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.840 -12.219 -0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.484 -12.540 0.996 1.00 0.00 H new ATOM 702 N ALA A 47 1.868 -10.173 -3.165 1.00 0.00 N ATOM 703 CA ALA A 47 2.056 -9.014 -4.044 1.00 0.00 C ATOM 704 C ALA A 47 1.117 -8.988 -5.291 1.00 0.00 C ATOM 705 O ALA A 47 0.529 -7.942 -5.581 1.00 0.00 O ATOM 706 CB ALA A 47 3.523 -8.854 -4.443 1.00 0.00 C ATOM 0 H ALA A 47 2.710 -10.736 -3.044 1.00 0.00 H new ATOM 0 HA ALA A 47 1.759 -8.150 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.630 -7.987 -5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.130 -8.714 -3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.856 -9.748 -4.971 1.00 0.00 H new ATOM 712 N PRO A 48 0.950 -10.127 -6.054 1.00 0.00 N ATOM 713 CA PRO A 48 0.072 -10.162 -7.243 1.00 0.00 C ATOM 714 C PRO A 48 -1.377 -9.791 -6.923 1.00 0.00 C ATOM 715 O PRO A 48 -2.106 -9.266 -7.778 1.00 0.00 O ATOM 716 CB PRO A 48 0.140 -11.621 -7.688 1.00 0.00 C ATOM 717 CG PRO A 48 1.438 -12.101 -7.173 1.00 0.00 C ATOM 718 CD PRO A 48 1.610 -11.434 -5.857 1.00 0.00 C ATOM 0 HA PRO A 48 0.394 -9.443 -7.996 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.688 -12.200 -7.280 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.086 -11.709 -8.773 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.442 -13.186 -7.067 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.250 -11.844 -7.853 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.144 -12.003 -5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.663 -11.319 -5.598 1.00 0.00 H new ATOM 726 N PHE A 49 -1.785 -10.042 -5.692 1.00 0.00 N ATOM 727 CA PHE A 49 -3.138 -9.746 -5.279 1.00 0.00 C ATOM 728 C PHE A 49 -3.302 -8.241 -5.059 1.00 0.00 C ATOM 729 O PHE A 49 -4.358 -7.681 -5.305 1.00 0.00 O ATOM 730 CB PHE A 49 -3.507 -10.534 -4.015 1.00 0.00 C ATOM 731 CG PHE A 49 -4.935 -10.345 -3.583 1.00 0.00 C ATOM 732 CD1 PHE A 49 -5.955 -11.024 -4.226 1.00 0.00 C ATOM 733 CD2 PHE A 49 -5.255 -9.492 -2.544 1.00 0.00 C ATOM 734 CE1 PHE A 49 -7.266 -10.854 -3.842 1.00 0.00 C ATOM 735 CE2 PHE A 49 -6.565 -9.318 -2.155 1.00 0.00 C ATOM 736 CZ PHE A 49 -7.571 -10.000 -2.806 1.00 0.00 C ATOM 0 H PHE A 49 -1.197 -10.449 -4.965 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.821 -10.054 -6.070 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.327 -11.594 -4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.847 -10.231 -3.202 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.720 -11.695 -5.039 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.470 -8.956 -2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.053 -11.389 -4.352 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.804 -8.649 -1.342 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.599 -9.864 -2.503 1.00 0.00 H new ATOM 746 N PHE A 50 -2.236 -7.597 -4.639 1.00 0.00 N ATOM 747 CA PHE A 50 -2.245 -6.161 -4.388 1.00 0.00 C ATOM 748 C PHE A 50 -2.339 -5.413 -5.726 1.00 0.00 C ATOM 749 O PHE A 50 -2.954 -4.352 -5.823 1.00 0.00 O ATOM 750 CB PHE A 50 -0.986 -5.769 -3.594 1.00 0.00 C ATOM 751 CG PHE A 50 -0.953 -4.354 -3.090 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.651 -4.003 -1.949 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.210 -3.385 -3.736 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.612 -2.717 -1.462 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.169 -2.092 -3.256 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.870 -1.757 -2.115 1.00 0.00 C ATOM 0 H PHE A 50 -1.338 -8.046 -4.460 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.112 -5.884 -3.788 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.891 -6.442 -2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.114 -5.931 -4.227 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.236 -4.750 -1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.345 -3.642 -4.626 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.162 -2.460 -0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.411 -1.342 -3.773 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.837 -0.746 -1.736 1.00 0.00 H new ATOM 766 N ALA A 51 -1.739 -5.993 -6.754 1.00 0.00 N ATOM 767 CA ALA A 51 -1.823 -5.441 -8.105 1.00 0.00 C ATOM 768 C ALA A 51 -3.250 -5.596 -8.645 1.00 0.00 C ATOM 769 O ALA A 51 -3.746 -4.755 -9.402 1.00 0.00 O ATOM 770 CB ALA A 51 -0.837 -6.141 -9.023 1.00 0.00 C ATOM 0 H ALA A 51 -1.187 -6.848 -6.682 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.571 -4.381 -8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.911 -5.720 -10.025 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.175 -6.001 -8.644 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.067 -7.206 -9.059 1.00 0.00 H new ATOM 776 N ASP A 52 -3.897 -6.675 -8.230 1.00 0.00 N ATOM 777 CA ASP A 52 -5.289 -6.971 -8.601 1.00 0.00 C ATOM 778 C ASP A 52 -6.192 -5.959 -7.968 1.00 0.00 C ATOM 779 O ASP A 52 -7.102 -5.424 -8.600 1.00 0.00 O ATOM 780 CB ASP A 52 -5.661 -8.349 -8.097 1.00 0.00 C ATOM 781 CG ASP A 52 -7.066 -8.767 -8.461 1.00 0.00 C ATOM 782 OD1 ASP A 52 -7.308 -9.128 -9.639 1.00 0.00 O ATOM 783 OD2 ASP A 52 -7.932 -8.790 -7.564 1.00 0.00 O ATOM 0 H ASP A 52 -3.476 -7.379 -7.623 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.394 -6.936 -9.685 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.958 -9.077 -8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.554 -8.371 -7.013 1.00 0.00 H new ATOM 788 N LEU A 53 -5.917 -5.702 -6.712 1.00 0.00 N ATOM 789 CA LEU A 53 -6.596 -4.710 -5.933 1.00 0.00 C ATOM 790 C LEU A 53 -6.575 -3.356 -6.623 1.00 0.00 C ATOM 791 O LEU A 53 -7.586 -2.663 -6.664 1.00 0.00 O ATOM 792 CB LEU A 53 -5.944 -4.624 -4.561 1.00 0.00 C ATOM 793 CG LEU A 53 -6.120 -5.816 -3.638 1.00 0.00 C ATOM 794 CD1 LEU A 53 -5.429 -5.564 -2.304 1.00 0.00 C ATOM 795 CD2 LEU A 53 -7.598 -6.115 -3.427 1.00 0.00 C ATOM 0 H LEU A 53 -5.191 -6.196 -6.193 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.641 -5.001 -5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.876 -4.461 -4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.336 -3.742 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.658 -6.685 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.565 -6.429 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.364 -5.400 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.862 -4.683 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.705 -6.973 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.085 -5.248 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.064 -6.339 -4.386 1.00 0.00 H new ATOM 807 N ALA A 54 -5.436 -3.013 -7.192 1.00 0.00 N ATOM 808 CA ALA A 54 -5.270 -1.765 -7.911 1.00 0.00 C ATOM 809 C ALA A 54 -6.185 -1.694 -9.135 1.00 0.00 C ATOM 810 O ALA A 54 -6.635 -0.623 -9.528 1.00 0.00 O ATOM 811 CB ALA A 54 -3.817 -1.576 -8.313 1.00 0.00 C ATOM 0 H ALA A 54 -4.598 -3.593 -7.169 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.557 -0.954 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.708 -0.635 -8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.192 -1.557 -7.420 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.507 -2.400 -8.956 1.00 0.00 H new ATOM 817 N LYS A 55 -6.448 -2.838 -9.740 1.00 0.00 N ATOM 818 CA LYS A 55 -7.297 -2.897 -10.918 1.00 0.00 C ATOM 819 C LYS A 55 -8.776 -2.831 -10.524 1.00 0.00 C ATOM 820 O LYS A 55 -9.627 -2.355 -11.294 1.00 0.00 O ATOM 821 CB LYS A 55 -7.001 -4.178 -11.720 1.00 0.00 C ATOM 822 CG LYS A 55 -7.790 -4.311 -13.016 1.00 0.00 C ATOM 823 CD LYS A 55 -7.450 -5.600 -13.738 1.00 0.00 C ATOM 824 CE LYS A 55 -8.239 -5.728 -15.028 1.00 0.00 C ATOM 825 NZ LYS A 55 -7.926 -6.979 -15.747 1.00 0.00 N ATOM 0 H LYS A 55 -6.085 -3.741 -9.435 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.079 -2.035 -11.548 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.937 -4.207 -11.953 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.213 -5.042 -11.091 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.858 -4.284 -12.799 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.575 -3.461 -13.664 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.383 -5.627 -13.957 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.665 -6.450 -13.091 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.305 -5.695 -14.805 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.022 -4.876 -15.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.486 -7.026 -16.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.913 -7.000 -15.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.158 -7.794 -15.143 1.00 0.00 H new ATOM 839 N LYS A 56 -9.080 -3.294 -9.333 1.00 0.00 N ATOM 840 CA LYS A 56 -10.447 -3.333 -8.860 1.00 0.00 C ATOM 841 C LYS A 56 -10.814 -2.073 -8.070 1.00 0.00 C ATOM 842 O LYS A 56 -11.993 -1.808 -7.814 1.00 0.00 O ATOM 843 CB LYS A 56 -10.696 -4.629 -8.078 1.00 0.00 C ATOM 844 CG LYS A 56 -10.477 -5.866 -8.959 1.00 0.00 C ATOM 845 CD LYS A 56 -10.588 -7.183 -8.205 1.00 0.00 C ATOM 846 CE LYS A 56 -11.968 -7.436 -7.636 1.00 0.00 C ATOM 847 NZ LYS A 56 -12.034 -8.752 -6.952 1.00 0.00 N ATOM 0 H LYS A 56 -8.394 -3.652 -8.669 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.116 -3.339 -9.721 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.028 -4.670 -7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.715 -4.632 -7.691 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.207 -5.858 -9.768 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.491 -5.803 -9.419 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.324 -8.001 -8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.861 -7.190 -7.393 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.225 -6.644 -6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.706 -7.402 -8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.991 -8.898 -6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.812 -9.508 -7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.345 -8.773 -6.173 1.00 0.00 H new ATOM 861 N LEU A 57 -9.816 -1.310 -7.687 1.00 0.00 N ATOM 862 CA LEU A 57 -10.012 -0.037 -7.059 1.00 0.00 C ATOM 863 C LEU A 57 -9.263 1.055 -7.821 1.00 0.00 C ATOM 864 O LEU A 57 -8.154 1.434 -7.465 1.00 0.00 O ATOM 865 CB LEU A 57 -9.607 -0.095 -5.598 1.00 0.00 C ATOM 866 CG LEU A 57 -10.515 -0.929 -4.702 1.00 0.00 C ATOM 867 CD1 LEU A 57 -9.905 -1.110 -3.323 1.00 0.00 C ATOM 868 CD2 LEU A 57 -11.874 -0.265 -4.569 1.00 0.00 C ATOM 0 H LEU A 57 -8.836 -1.565 -7.807 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.072 0.214 -7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.595 -0.495 -5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.573 0.922 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.631 -1.909 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.574 -1.709 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.944 -1.617 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.758 -0.135 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.513 -0.870 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.754 0.726 -4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.332 -0.173 -5.554 1.00 0.00 H new ATOM 880 N PRO A 58 -9.862 1.534 -8.931 1.00 0.00 N ATOM 881 CA PRO A 58 -9.245 2.530 -9.828 1.00 0.00 C ATOM 882 C PRO A 58 -9.025 3.902 -9.181 1.00 0.00 C ATOM 883 O PRO A 58 -8.071 4.608 -9.515 1.00 0.00 O ATOM 884 CB PRO A 58 -10.263 2.654 -10.969 1.00 0.00 C ATOM 885 CG PRO A 58 -11.554 2.212 -10.373 1.00 0.00 C ATOM 886 CD PRO A 58 -11.193 1.119 -9.421 1.00 0.00 C ATOM 0 HA PRO A 58 -8.248 2.210 -10.132 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.326 3.679 -11.334 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.984 2.030 -11.818 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.052 3.034 -9.858 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.240 1.855 -11.141 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.915 1.036 -8.608 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.157 0.148 -9.915 1.00 0.00 H new ATOM 894 N ASN A 59 -9.890 4.265 -8.249 1.00 0.00 N ATOM 895 CA ASN A 59 -9.837 5.559 -7.617 1.00 0.00 C ATOM 896 C ASN A 59 -8.978 5.529 -6.371 1.00 0.00 C ATOM 897 O ASN A 59 -8.915 6.501 -5.615 1.00 0.00 O ATOM 898 CB ASN A 59 -11.243 6.037 -7.276 1.00 0.00 C ATOM 899 CG ASN A 59 -12.124 6.283 -8.495 1.00 0.00 C ATOM 900 OD1 ASN A 59 -11.648 6.643 -9.575 1.00 0.00 O ATOM 901 ND2 ASN A 59 -13.411 6.096 -8.333 1.00 0.00 N ATOM 0 H ASN A 59 -10.645 3.667 -7.914 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.384 6.257 -8.320 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.723 5.296 -6.637 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.173 6.959 -6.699 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.051 6.248 -9.113 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.773 5.798 -7.427 1.00 0.00 H new ATOM 908 N VAL A 60 -8.330 4.417 -6.154 1.00 0.00 N ATOM 909 CA VAL A 60 -7.454 4.253 -5.032 1.00 0.00 C ATOM 910 C VAL A 60 -6.036 4.087 -5.540 1.00 0.00 C ATOM 911 O VAL A 60 -5.785 3.313 -6.469 1.00 0.00 O ATOM 912 CB VAL A 60 -7.852 3.016 -4.180 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.888 2.816 -3.020 1.00 0.00 C ATOM 914 CG2 VAL A 60 -9.285 3.147 -3.671 1.00 0.00 C ATOM 0 H VAL A 60 -8.397 3.596 -6.756 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.530 5.135 -4.396 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.794 2.137 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.191 1.943 -2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.880 2.663 -3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.901 3.698 -2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.542 2.270 -3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.372 4.041 -3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.966 3.224 -4.518 1.00 0.00 H new ATOM 924 N LEU A 61 -5.123 4.831 -4.976 1.00 0.00 N ATOM 925 CA LEU A 61 -3.761 4.740 -5.355 1.00 0.00 C ATOM 926 C LEU A 61 -3.047 3.745 -4.484 1.00 0.00 C ATOM 927 O LEU A 61 -3.075 3.845 -3.258 1.00 0.00 O ATOM 928 CB LEU A 61 -3.064 6.103 -5.289 1.00 0.00 C ATOM 929 CG LEU A 61 -3.440 7.164 -6.348 1.00 0.00 C ATOM 930 CD1 LEU A 61 -4.894 7.607 -6.240 1.00 0.00 C ATOM 931 CD2 LEU A 61 -2.500 8.356 -6.262 1.00 0.00 C ATOM 0 H LEU A 61 -5.314 5.513 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.724 4.401 -6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.259 6.530 -4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.990 5.932 -5.355 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.328 6.697 -7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.105 8.353 -7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.548 6.746 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.070 8.039 -5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.778 9.094 -7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.570 8.804 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.476 8.026 -6.439 1.00 0.00 H new ATOM 943 N PHE A 62 -2.441 2.779 -5.101 1.00 0.00 N ATOM 944 CA PHE A 62 -1.701 1.781 -4.384 1.00 0.00 C ATOM 945 C PHE A 62 -0.238 1.981 -4.628 1.00 0.00 C ATOM 946 O PHE A 62 0.195 2.233 -5.767 1.00 0.00 O ATOM 947 CB PHE A 62 -2.096 0.380 -4.808 1.00 0.00 C ATOM 948 CG PHE A 62 -3.538 0.029 -4.555 1.00 0.00 C ATOM 949 CD1 PHE A 62 -4.534 0.447 -5.416 1.00 0.00 C ATOM 950 CD2 PHE A 62 -3.891 -0.723 -3.450 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.850 0.122 -5.179 1.00 0.00 C ATOM 952 CE2 PHE A 62 -5.204 -1.051 -3.208 1.00 0.00 C ATOM 953 CZ PHE A 62 -6.185 -0.629 -4.075 1.00 0.00 C ATOM 0 H PHE A 62 -2.444 2.658 -6.114 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.927 1.888 -3.323 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.890 0.265 -5.872 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.464 -0.336 -4.282 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.277 1.035 -6.285 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.124 -1.058 -2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.620 0.456 -5.859 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.464 -1.638 -2.340 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.217 -0.887 -3.890 1.00 0.00 H new ATOM 963 N LEU A 63 0.508 1.888 -3.588 1.00 0.00 N ATOM 964 CA LEU A 63 1.938 2.076 -3.626 1.00 0.00 C ATOM 965 C LEU A 63 2.662 0.936 -2.969 1.00 0.00 C ATOM 966 O LEU A 63 2.200 0.384 -1.972 1.00 0.00 O ATOM 967 CB LEU A 63 2.392 3.404 -2.980 1.00 0.00 C ATOM 968 CG LEU A 63 2.243 4.713 -3.793 1.00 0.00 C ATOM 969 CD1 LEU A 63 0.801 5.072 -4.088 1.00 0.00 C ATOM 970 CD2 LEU A 63 2.941 5.848 -3.081 1.00 0.00 C ATOM 0 H LEU A 63 0.147 1.675 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 63 2.196 2.112 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.836 3.527 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.443 3.299 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 63 2.717 4.541 -4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.767 5.999 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.338 4.272 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.260 5.204 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.830 6.764 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.497 5.987 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.000 5.613 -2.972 1.00 0.00 H new ATOM 982 N LYS A 64 3.781 0.586 -3.536 1.00 0.00 N ATOM 983 CA LYS A 64 4.626 -0.411 -3.019 1.00 0.00 C ATOM 984 C LYS A 64 5.920 0.154 -2.536 1.00 0.00 C ATOM 985 O LYS A 64 6.693 0.735 -3.307 1.00 0.00 O ATOM 986 CB LYS A 64 4.864 -1.493 -4.028 1.00 0.00 C ATOM 987 CG LYS A 64 3.921 -2.621 -3.811 1.00 0.00 C ATOM 988 CD LYS A 64 4.085 -3.733 -4.786 1.00 0.00 C ATOM 989 CE LYS A 64 3.192 -4.865 -4.366 1.00 0.00 C ATOM 990 NZ LYS A 64 3.667 -5.536 -3.125 1.00 0.00 N ATOM 0 H LYS A 64 4.126 1.010 -4.397 1.00 0.00 H new ATOM 0 HA LYS A 64 4.118 -0.849 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.738 -1.094 -5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.891 -1.850 -3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.060 -3.010 -2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.899 -2.246 -3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.826 -3.398 -5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.124 -4.061 -4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.182 -4.487 -4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.135 -5.597 -5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.856 -5.946 -2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.337 -6.291 -3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.140 -4.840 -2.514 1.00 0.00 H new ATOM 1004 N VAL A 65 6.138 0.024 -1.268 1.00 0.00 N ATOM 1005 CA VAL A 65 7.354 0.442 -0.648 1.00 0.00 C ATOM 1006 C VAL A 65 8.136 -0.792 -0.313 1.00 0.00 C ATOM 1007 O VAL A 65 7.667 -1.646 0.460 1.00 0.00 O ATOM 1008 CB VAL A 65 7.074 1.239 0.653 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.366 1.627 1.360 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.259 2.476 0.340 1.00 0.00 C ATOM 0 H VAL A 65 5.463 -0.384 -0.621 1.00 0.00 H new ATOM 0 HA VAL A 65 7.906 1.093 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 65 6.507 0.594 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.131 2.184 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.923 0.727 1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.970 2.248 0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.068 3.028 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.811 3.109 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.311 2.183 -0.111 1.00 0.00 H new ATOM 1020 N ASP A 66 9.286 -0.932 -0.902 1.00 0.00 N ATOM 1021 CA ASP A 66 10.091 -2.079 -0.621 1.00 0.00 C ATOM 1022 C ASP A 66 10.881 -1.824 0.624 1.00 0.00 C ATOM 1023 O ASP A 66 11.654 -0.886 0.690 1.00 0.00 O ATOM 1024 CB ASP A 66 11.007 -2.423 -1.758 1.00 0.00 C ATOM 1025 CG ASP A 66 11.695 -3.748 -1.530 1.00 0.00 C ATOM 1026 OD1 ASP A 66 12.688 -3.799 -0.780 1.00 0.00 O ATOM 1027 OD2 ASP A 66 11.240 -4.764 -2.107 1.00 0.00 O ATOM 0 H ASP A 66 9.683 -0.274 -1.572 1.00 0.00 H new ATOM 0 HA ASP A 66 9.430 -2.934 -0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.438 -2.462 -2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.755 -1.638 -1.875 1.00 0.00 H new ATOM 1032 N THR A 67 10.672 -2.636 1.608 1.00 0.00 N ATOM 1033 CA THR A 67 11.277 -2.448 2.901 1.00 0.00 C ATOM 1034 C THR A 67 12.776 -2.763 2.937 1.00 0.00 C ATOM 1035 O THR A 67 13.457 -2.379 3.894 1.00 0.00 O ATOM 1036 CB THR A 67 10.514 -3.200 4.030 1.00 0.00 C ATOM 1037 OG1 THR A 67 11.133 -2.972 5.292 1.00 0.00 O ATOM 1038 CG2 THR A 67 10.475 -4.694 3.773 1.00 0.00 C ATOM 0 H THR A 67 10.072 -3.458 1.544 1.00 0.00 H new ATOM 0 HA THR A 67 11.188 -1.379 3.096 1.00 0.00 H new ATOM 0 HB THR A 67 9.495 -2.813 4.040 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.081 -2.763 5.158 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.935 -5.188 4.581 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.970 -4.887 2.827 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.493 -5.082 3.727 1.00 0.00 H new ATOM 1046 N ASP A 68 13.287 -3.461 1.956 1.00 0.00 N ATOM 1047 CA ASP A 68 14.712 -3.747 1.939 1.00 0.00 C ATOM 1048 C ASP A 68 15.423 -2.546 1.393 1.00 0.00 C ATOM 1049 O ASP A 68 16.503 -2.158 1.853 1.00 0.00 O ATOM 1050 CB ASP A 68 15.026 -4.965 1.094 1.00 0.00 C ATOM 1051 CG ASP A 68 16.482 -5.366 1.181 1.00 0.00 C ATOM 1052 OD1 ASP A 68 16.871 -5.990 2.184 1.00 0.00 O ATOM 1053 OD2 ASP A 68 17.248 -5.094 0.236 1.00 0.00 O ATOM 0 H ASP A 68 12.757 -3.838 1.170 1.00 0.00 H new ATOM 0 HA ASP A 68 15.045 -3.964 2.954 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.402 -5.799 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.770 -4.759 0.055 1.00 0.00 H new ATOM 1058 N GLU A 69 14.804 -1.962 0.410 1.00 0.00 N ATOM 1059 CA GLU A 69 15.280 -0.789 -0.227 1.00 0.00 C ATOM 1060 C GLU A 69 15.028 0.447 0.608 1.00 0.00 C ATOM 1061 O GLU A 69 15.967 1.124 1.019 1.00 0.00 O ATOM 1062 CB GLU A 69 14.636 -0.663 -1.571 1.00 0.00 C ATOM 1063 CG GLU A 69 15.105 -1.694 -2.570 1.00 0.00 C ATOM 1064 CD GLU A 69 14.479 -1.510 -3.916 1.00 0.00 C ATOM 1065 OE1 GLU A 69 14.881 -0.579 -4.646 1.00 0.00 O ATOM 1066 OE2 GLU A 69 13.595 -2.291 -4.284 1.00 0.00 O ATOM 0 H GLU A 69 13.926 -2.307 0.023 1.00 0.00 H new ATOM 0 HA GLU A 69 16.360 -0.874 -0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.555 -0.748 -1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.837 0.332 -1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 69 16.189 -1.636 -2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.871 -2.691 -2.196 1.00 0.00 H new ATOM 1073 N LEU A 70 13.780 0.717 0.898 1.00 0.00 N ATOM 1074 CA LEU A 70 13.407 1.848 1.658 1.00 0.00 C ATOM 1075 C LEU A 70 13.304 1.455 3.102 1.00 0.00 C ATOM 1076 O LEU A 70 12.253 1.564 3.743 1.00 0.00 O ATOM 1077 CB LEU A 70 12.104 2.405 1.130 1.00 0.00 C ATOM 1078 CG LEU A 70 12.167 3.030 -0.264 1.00 0.00 C ATOM 1079 CD1 LEU A 70 10.813 3.572 -0.682 1.00 0.00 C ATOM 1080 CD2 LEU A 70 13.213 4.125 -0.302 1.00 0.00 C ATOM 0 H LEU A 70 12.994 0.138 0.601 1.00 0.00 H new ATOM 0 HA LEU A 70 14.159 2.632 1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.366 1.603 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.742 3.158 1.830 1.00 0.00 H new ATOM 0 HG LEU A 70 12.449 2.251 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.888 4.010 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.085 2.761 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.492 4.335 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.247 4.561 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.957 4.898 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.188 3.705 -0.056 1.00 0.00 H new ATOM 1092 N LYS A 71 14.403 0.973 3.599 1.00 0.00 N ATOM 1093 CA LYS A 71 14.499 0.463 4.924 1.00 0.00 C ATOM 1094 C LYS A 71 14.380 1.603 5.942 1.00 0.00 C ATOM 1095 O LYS A 71 13.859 1.417 7.039 1.00 0.00 O ATOM 1096 CB LYS A 71 15.800 -0.303 5.069 1.00 0.00 C ATOM 1097 CG LYS A 71 15.838 -1.230 6.246 1.00 0.00 C ATOM 1098 CD LYS A 71 17.143 -1.984 6.290 1.00 0.00 C ATOM 1099 CE LYS A 71 17.155 -2.988 7.414 1.00 0.00 C ATOM 1100 NZ LYS A 71 18.414 -3.756 7.451 1.00 0.00 N ATOM 0 H LYS A 71 15.278 0.925 3.077 1.00 0.00 H new ATOM 0 HA LYS A 71 13.677 -0.225 5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 71 15.972 -0.880 4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.621 0.409 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.710 -0.661 7.167 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.008 -1.934 6.188 1.00 0.00 H new ATOM 0 HD2 LYS A 71 17.303 -2.495 5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.967 -1.282 6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 71 17.017 -2.472 8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.315 -3.673 7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.383 -4.436 8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.534 -4.269 6.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 19.214 -3.105 7.587 1.00 0.00 H new ATOM 1114 N SER A 72 14.836 2.786 5.555 1.00 0.00 N ATOM 1115 CA SER A 72 14.713 3.967 6.389 1.00 0.00 C ATOM 1116 C SER A 72 13.232 4.307 6.585 1.00 0.00 C ATOM 1117 O SER A 72 12.798 4.672 7.684 1.00 0.00 O ATOM 1118 CB SER A 72 15.469 5.129 5.743 1.00 0.00 C ATOM 1119 OG SER A 72 15.027 5.328 4.406 1.00 0.00 O ATOM 0 H SER A 72 15.298 2.951 4.661 1.00 0.00 H new ATOM 0 HA SER A 72 15.150 3.778 7.369 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.314 6.039 6.323 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.540 4.924 5.752 1.00 0.00 H new ATOM 0 HG SER A 72 15.519 6.076 4.007 1.00 0.00 H new ATOM 1125 N VAL A 73 12.466 4.153 5.510 1.00 0.00 N ATOM 1126 CA VAL A 73 11.025 4.349 5.518 1.00 0.00 C ATOM 1127 C VAL A 73 10.382 3.311 6.418 1.00 0.00 C ATOM 1128 O VAL A 73 9.519 3.623 7.236 1.00 0.00 O ATOM 1129 CB VAL A 73 10.442 4.218 4.088 1.00 0.00 C ATOM 1130 CG1 VAL A 73 8.929 4.333 4.099 1.00 0.00 C ATOM 1131 CG2 VAL A 73 11.049 5.266 3.173 1.00 0.00 C ATOM 0 H VAL A 73 12.836 3.885 4.598 1.00 0.00 H new ATOM 0 HA VAL A 73 10.813 5.352 5.890 1.00 0.00 H new ATOM 0 HB VAL A 73 10.699 3.229 3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.549 4.237 3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.508 3.541 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.641 5.303 4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.630 5.162 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.824 6.260 3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.130 5.130 3.130 1.00 0.00 H new ATOM 1141 N ALA A 74 10.832 2.080 6.273 1.00 0.00 N ATOM 1142 CA ALA A 74 10.349 0.980 7.081 1.00 0.00 C ATOM 1143 C ALA A 74 10.581 1.265 8.549 1.00 0.00 C ATOM 1144 O ALA A 74 9.682 1.113 9.359 1.00 0.00 O ATOM 1145 CB ALA A 74 11.039 -0.298 6.687 1.00 0.00 C ATOM 0 H ALA A 74 11.543 1.815 5.591 1.00 0.00 H new ATOM 0 HA ALA A 74 9.278 0.868 6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.667 -1.117 7.302 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.837 -0.512 5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.114 -0.192 6.836 1.00 0.00 H new ATOM 1151 N SER A 75 11.783 1.704 8.869 1.00 0.00 N ATOM 1152 CA SER A 75 12.146 2.059 10.222 1.00 0.00 C ATOM 1153 C SER A 75 11.270 3.217 10.720 1.00 0.00 C ATOM 1154 O SER A 75 10.832 3.227 11.870 1.00 0.00 O ATOM 1155 CB SER A 75 13.640 2.444 10.275 1.00 0.00 C ATOM 1156 OG SER A 75 14.068 2.746 11.601 1.00 0.00 O ATOM 0 H SER A 75 12.537 1.824 8.192 1.00 0.00 H new ATOM 0 HA SER A 75 11.981 1.202 10.875 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.240 1.625 9.879 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.815 3.307 9.632 1.00 0.00 H new ATOM 0 HG SER A 75 15.019 2.983 11.592 1.00 0.00 H new ATOM 1162 N ASP A 76 10.990 4.161 9.833 1.00 0.00 N ATOM 1163 CA ASP A 76 10.203 5.347 10.168 1.00 0.00 C ATOM 1164 C ASP A 76 8.762 4.979 10.494 1.00 0.00 C ATOM 1165 O ASP A 76 8.151 5.543 11.399 1.00 0.00 O ATOM 1166 CB ASP A 76 10.249 6.356 9.005 1.00 0.00 C ATOM 1167 CG ASP A 76 9.497 7.631 9.298 1.00 0.00 C ATOM 1168 OD1 ASP A 76 9.999 8.447 10.099 1.00 0.00 O ATOM 1169 OD2 ASP A 76 8.408 7.849 8.718 1.00 0.00 O ATOM 0 H ASP A 76 11.300 4.130 8.862 1.00 0.00 H new ATOM 0 HA ASP A 76 10.639 5.805 11.056 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.288 6.597 8.782 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.831 5.891 8.112 1.00 0.00 H new ATOM 1174 N TRP A 77 8.233 4.015 9.789 1.00 0.00 N ATOM 1175 CA TRP A 77 6.885 3.569 10.028 1.00 0.00 C ATOM 1176 C TRP A 77 6.821 2.360 10.955 1.00 0.00 C ATOM 1177 O TRP A 77 5.738 1.816 11.197 1.00 0.00 O ATOM 1178 CB TRP A 77 6.133 3.326 8.725 1.00 0.00 C ATOM 1179 CG TRP A 77 5.852 4.589 7.965 1.00 0.00 C ATOM 1180 CD1 TRP A 77 6.644 5.186 7.030 1.00 0.00 C ATOM 1181 CD2 TRP A 77 4.686 5.416 8.088 1.00 0.00 C ATOM 1182 NE1 TRP A 77 6.045 6.330 6.571 1.00 0.00 N ATOM 1183 CE2 TRP A 77 4.845 6.494 7.199 1.00 0.00 C ATOM 1184 CE3 TRP A 77 3.525 5.350 8.864 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 3.888 7.497 7.061 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 2.575 6.344 8.727 1.00 0.00 C ATOM 1187 CH2 TRP A 77 2.761 7.404 7.830 1.00 0.00 C ATOM 0 H TRP A 77 8.718 3.520 9.040 1.00 0.00 H new ATOM 0 HA TRP A 77 6.379 4.381 10.550 1.00 0.00 H new ATOM 0 HB2 TRP A 77 6.715 2.652 8.096 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.191 2.823 8.944 1.00 0.00 H new ATOM 0 HD1 TRP A 77 7.602 4.813 6.700 1.00 0.00 H new ATOM 0 HE1 TRP A 77 6.435 6.960 5.870 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.373 4.537 9.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.031 8.317 6.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.674 6.303 9.321 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.998 8.164 7.744 1.00 0.00 H new ATOM 1198 N ALA A 78 7.989 1.961 11.480 1.00 0.00 N ATOM 1199 CA ALA A 78 8.127 0.849 12.440 1.00 0.00 C ATOM 1200 C ALA A 78 7.749 -0.499 11.820 1.00 0.00 C ATOM 1201 O ALA A 78 7.380 -1.441 12.530 1.00 0.00 O ATOM 1202 CB ALA A 78 7.311 1.125 13.704 1.00 0.00 C ATOM 0 H ALA A 78 8.877 2.406 11.249 1.00 0.00 H new ATOM 0 HA ALA A 78 9.179 0.784 12.716 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.426 0.294 14.400 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.666 2.043 14.173 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.259 1.236 13.441 1.00 0.00 H new ATOM 1208 N ILE A 79 7.911 -0.606 10.514 1.00 0.00 N ATOM 1209 CA ILE A 79 7.582 -1.814 9.778 1.00 0.00 C ATOM 1210 C ILE A 79 8.617 -2.893 10.091 1.00 0.00 C ATOM 1211 O ILE A 79 9.748 -2.846 9.594 1.00 0.00 O ATOM 1212 CB ILE A 79 7.562 -1.561 8.241 1.00 0.00 C ATOM 1213 CG1 ILE A 79 6.607 -0.404 7.882 1.00 0.00 C ATOM 1214 CG2 ILE A 79 7.179 -2.834 7.476 1.00 0.00 C ATOM 1215 CD1 ILE A 79 5.164 -0.626 8.284 1.00 0.00 C ATOM 0 H ILE A 79 8.276 0.146 9.930 1.00 0.00 H new ATOM 0 HA ILE A 79 6.587 -2.135 10.085 1.00 0.00 H new ATOM 0 HB ILE A 79 8.570 -1.276 7.941 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.967 0.507 8.360 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.648 -0.238 6.806 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.173 -2.627 6.406 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.904 -3.619 7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.187 -3.161 7.788 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.568 0.238 7.992 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.780 -1.516 7.786 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.104 -0.760 9.364 1.00 0.00 H new ATOM 1227 N GLN A 80 8.250 -3.818 10.937 1.00 0.00 N ATOM 1228 CA GLN A 80 9.156 -4.867 11.358 1.00 0.00 C ATOM 1229 C GLN A 80 8.647 -6.222 10.878 1.00 0.00 C ATOM 1230 O GLN A 80 9.409 -7.177 10.729 1.00 0.00 O ATOM 1231 CB GLN A 80 9.285 -4.847 12.886 1.00 0.00 C ATOM 1232 CG GLN A 80 10.301 -5.822 13.456 1.00 0.00 C ATOM 1233 CD GLN A 80 10.370 -5.770 14.965 1.00 0.00 C ATOM 1234 OE1 GLN A 80 9.372 -5.475 15.640 1.00 0.00 O ATOM 1235 NE2 GLN A 80 11.521 -6.050 15.509 1.00 0.00 N ATOM 0 H GLN A 80 7.321 -3.871 11.355 1.00 0.00 H new ATOM 0 HA GLN A 80 10.139 -4.697 10.919 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.555 -3.839 13.200 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.310 -5.066 13.321 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.045 -6.834 13.142 1.00 0.00 H new ATOM 0 HG3 GLN A 80 11.285 -5.600 13.043 1.00 0.00 H new ATOM 0 HE21 GLN A 80 12.319 -6.288 14.920 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.624 -6.031 16.524 1.00 0.00 H new ATOM 1244 N ALA A 81 7.362 -6.301 10.640 1.00 0.00 N ATOM 1245 CA ALA A 81 6.758 -7.517 10.174 1.00 0.00 C ATOM 1246 C ALA A 81 6.451 -7.390 8.706 1.00 0.00 C ATOM 1247 O ALA A 81 6.120 -6.304 8.221 1.00 0.00 O ATOM 1248 CB ALA A 81 5.505 -7.836 10.962 1.00 0.00 C ATOM 0 H ALA A 81 6.710 -5.526 10.764 1.00 0.00 H new ATOM 0 HA ALA A 81 7.456 -8.341 10.323 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.067 -8.762 10.589 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.758 -7.953 12.016 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.787 -7.023 10.849 1.00 0.00 H new ATOM 1254 N MET A 82 6.575 -8.463 7.998 1.00 0.00 N ATOM 1255 CA MET A 82 6.357 -8.450 6.590 1.00 0.00 C ATOM 1256 C MET A 82 5.310 -9.478 6.223 1.00 0.00 C ATOM 1257 O MET A 82 5.304 -10.586 6.776 1.00 0.00 O ATOM 1258 CB MET A 82 7.653 -8.776 5.873 1.00 0.00 C ATOM 1259 CG MET A 82 8.792 -7.806 6.141 1.00 0.00 C ATOM 1260 SD MET A 82 10.365 -8.379 5.468 1.00 0.00 S ATOM 1261 CE MET A 82 9.945 -8.599 3.751 1.00 0.00 C ATOM 0 H MET A 82 6.830 -9.374 8.379 1.00 0.00 H new ATOM 0 HA MET A 82 6.012 -7.460 6.291 1.00 0.00 H new ATOM 0 HB2 MET A 82 7.971 -9.777 6.164 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.462 -8.802 4.800 1.00 0.00 H new ATOM 0 HG2 MET A 82 8.548 -6.836 5.708 1.00 0.00 H new ATOM 0 HG3 MET A 82 8.893 -7.659 7.216 1.00 0.00 H new ATOM 0 HE1 MET A 82 10.804 -9.002 3.215 1.00 0.00 H new ATOM 0 HE2 MET A 82 9.107 -9.292 3.667 1.00 0.00 H new ATOM 0 HE3 MET A 82 9.666 -7.638 3.319 1.00 0.00 H new ATOM 1271 N PRO A 83 4.388 -9.141 5.330 1.00 0.00 N ATOM 1272 CA PRO A 83 4.269 -7.813 4.741 1.00 0.00 C ATOM 1273 C PRO A 83 3.273 -6.938 5.534 1.00 0.00 C ATOM 1274 O PRO A 83 2.407 -7.455 6.241 1.00 0.00 O ATOM 1275 CB PRO A 83 3.718 -8.120 3.352 1.00 0.00 C ATOM 1276 CG PRO A 83 2.918 -9.377 3.515 1.00 0.00 C ATOM 1277 CD PRO A 83 3.383 -10.054 4.785 1.00 0.00 C ATOM 0 HA PRO A 83 5.208 -7.259 4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.097 -7.303 2.985 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.523 -8.257 2.630 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.854 -9.149 3.570 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.059 -10.034 2.657 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.559 -10.201 5.483 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.807 -11.037 4.580 1.00 0.00 H new ATOM 1285 N THR A 84 3.414 -5.645 5.462 1.00 0.00 N ATOM 1286 CA THR A 84 2.488 -4.778 6.145 1.00 0.00 C ATOM 1287 C THR A 84 1.687 -3.949 5.146 1.00 0.00 C ATOM 1288 O THR A 84 2.258 -3.280 4.286 1.00 0.00 O ATOM 1289 CB THR A 84 3.207 -3.863 7.133 1.00 0.00 C ATOM 1290 OG1 THR A 84 3.944 -4.655 8.091 1.00 0.00 O ATOM 1291 CG2 THR A 84 2.230 -2.955 7.876 1.00 0.00 C ATOM 0 H THR A 84 4.152 -5.169 4.944 1.00 0.00 H new ATOM 0 HA THR A 84 1.801 -5.410 6.708 1.00 0.00 H new ATOM 0 HB THR A 84 3.890 -3.235 6.562 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.684 -5.111 7.638 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.780 -2.319 8.570 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.695 -2.332 7.159 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.516 -3.565 8.430 1.00 0.00 H new ATOM 1299 N PHE A 85 0.379 -4.007 5.259 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.505 -3.277 4.412 1.00 0.00 C ATOM 1301 C PHE A 85 -1.123 -2.145 5.196 1.00 0.00 C ATOM 1302 O PHE A 85 -1.762 -2.369 6.225 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.605 -4.193 3.908 1.00 0.00 C ATOM 1304 CG PHE A 85 -1.139 -5.309 3.025 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -1.008 -5.113 1.664 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -0.843 -6.555 3.552 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.589 -6.133 0.841 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.422 -7.580 2.734 1.00 0.00 C ATOM 1309 CZ PHE A 85 -0.295 -7.366 1.375 1.00 0.00 C ATOM 0 H PHE A 85 -0.098 -4.576 5.958 1.00 0.00 H new ATOM 0 HA PHE A 85 0.053 -2.880 3.564 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.124 -4.620 4.766 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.333 -3.595 3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.237 -4.146 1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.943 -6.724 4.614 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.491 -5.966 -0.222 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.192 -8.548 3.154 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.035 -8.168 0.731 1.00 0.00 H new ATOM 1319 N MET A 86 -0.937 -0.952 4.740 1.00 0.00 N ATOM 1320 CA MET A 86 -1.492 0.192 5.406 1.00 0.00 C ATOM 1321 C MET A 86 -2.519 0.847 4.518 1.00 0.00 C ATOM 1322 O MET A 86 -2.223 1.250 3.395 1.00 0.00 O ATOM 1323 CB MET A 86 -0.390 1.168 5.776 1.00 0.00 C ATOM 1324 CG MET A 86 -0.853 2.402 6.526 1.00 0.00 C ATOM 1325 SD MET A 86 0.508 3.521 6.935 1.00 0.00 S ATOM 1326 CE MET A 86 1.538 2.465 7.957 1.00 0.00 C ATOM 0 H MET A 86 -0.400 -0.736 3.900 1.00 0.00 H new ATOM 0 HA MET A 86 -1.982 -0.127 6.326 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.348 0.646 6.386 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.116 1.484 4.864 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.587 2.935 5.922 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.356 2.097 7.444 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.876 3.022 8.831 1.00 0.00 H new ATOM 0 HE2 MET A 86 0.962 1.597 8.280 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.403 2.133 7.382 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.704 0.945 5.017 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.794 1.492 4.316 1.00 0.00 C ATOM 1338 C PHE A 87 -5.092 2.873 4.853 1.00 0.00 C ATOM 1339 O PHE A 87 -5.433 3.040 6.040 1.00 0.00 O ATOM 1340 CB PHE A 87 -5.994 0.595 4.518 1.00 0.00 C ATOM 1341 CG PHE A 87 -5.852 -0.804 3.964 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -5.239 -1.804 4.708 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.343 -1.121 2.709 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -5.114 -3.083 4.208 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.220 -2.400 2.202 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.606 -3.382 2.954 1.00 0.00 C ATOM 0 H PHE A 87 -3.939 0.632 5.959 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.561 1.566 3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.201 0.526 5.586 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.861 1.066 4.055 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.855 -1.577 5.692 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.829 -0.358 2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.632 -3.849 4.797 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.603 -2.632 1.219 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.511 -4.383 2.561 1.00 0.00 H new ATOM 1356 N LEU A 88 -4.963 3.858 4.025 1.00 0.00 N ATOM 1357 CA LEU A 88 -5.178 5.202 4.454 1.00 0.00 C ATOM 1358 C LEU A 88 -6.290 5.802 3.603 1.00 0.00 C ATOM 1359 O LEU A 88 -6.627 5.261 2.555 1.00 0.00 O ATOM 1360 CB LEU A 88 -3.903 6.046 4.222 1.00 0.00 C ATOM 1361 CG LEU A 88 -2.583 5.510 4.790 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -1.434 6.436 4.428 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -2.665 5.362 6.276 1.00 0.00 C ATOM 0 H LEU A 88 -4.708 3.757 3.042 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.435 5.204 5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.778 6.177 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.074 7.036 4.646 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.401 4.529 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.505 6.041 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.351 6.506 3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.621 7.427 4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.717 4.980 6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.873 6.332 6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.464 4.665 6.529 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.848 6.899 4.040 1.00 0.00 N ATOM 1376 CA LYS A 89 -7.823 7.600 3.249 1.00 0.00 C ATOM 1377 C LYS A 89 -7.651 9.081 3.381 1.00 0.00 C ATOM 1378 O LYS A 89 -7.618 9.620 4.496 1.00 0.00 O ATOM 1379 CB LYS A 89 -9.249 7.194 3.567 1.00 0.00 C ATOM 1380 CG LYS A 89 -10.282 7.939 2.745 1.00 0.00 C ATOM 1381 CD LYS A 89 -11.692 7.471 3.009 1.00 0.00 C ATOM 1382 CE LYS A 89 -12.653 8.244 2.131 1.00 0.00 C ATOM 1383 NZ LYS A 89 -14.055 7.846 2.335 1.00 0.00 N ATOM 0 H LYS A 89 -6.643 7.328 4.943 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.643 7.314 2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.361 6.123 3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.442 7.369 4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.212 9.005 2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.055 7.814 1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.776 6.403 2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.944 7.617 4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.549 9.310 2.336 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.385 8.093 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.669 8.406 1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.165 6.836 2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.323 8.015 3.326 1.00 0.00 H new ATOM 1397 N GLU A 90 -7.496 9.724 2.240 1.00 0.00 N ATOM 1398 CA GLU A 90 -7.351 11.163 2.124 1.00 0.00 C ATOM 1399 C GLU A 90 -6.138 11.696 2.895 1.00 0.00 C ATOM 1400 O GLU A 90 -6.072 12.869 3.232 1.00 0.00 O ATOM 1401 CB GLU A 90 -8.644 11.887 2.503 1.00 0.00 C ATOM 1402 CG GLU A 90 -9.827 11.525 1.604 1.00 0.00 C ATOM 1403 CD GLU A 90 -11.073 12.317 1.907 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -11.830 11.938 2.831 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -11.327 13.317 1.210 1.00 0.00 O ATOM 0 H GLU A 90 -7.467 9.245 1.340 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.156 11.379 1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.896 11.649 3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.477 12.963 2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.546 11.687 0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.045 10.463 1.713 1.00 0.00 H new ATOM 1412 N GLY A 91 -5.164 10.830 3.111 1.00 0.00 N ATOM 1413 CA GLY A 91 -3.967 11.211 3.826 1.00 0.00 C ATOM 1414 C GLY A 91 -4.067 10.961 5.318 1.00 0.00 C ATOM 1415 O GLY A 91 -3.191 11.353 6.078 1.00 0.00 O ATOM 0 H GLY A 91 -5.182 9.859 2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.118 10.656 3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.767 12.268 3.652 1.00 0.00 H new ATOM 1419 N LYS A 92 -5.130 10.326 5.751 1.00 0.00 N ATOM 1420 CA LYS A 92 -5.289 10.014 7.155 1.00 0.00 C ATOM 1421 C LYS A 92 -5.361 8.478 7.299 1.00 0.00 C ATOM 1422 O LYS A 92 -5.847 7.802 6.394 1.00 0.00 O ATOM 1423 CB LYS A 92 -6.581 10.667 7.688 1.00 0.00 C ATOM 1424 CG LYS A 92 -6.704 10.708 9.212 1.00 0.00 C ATOM 1425 CD LYS A 92 -6.060 11.966 9.905 1.00 0.00 C ATOM 1426 CE LYS A 92 -4.575 12.247 9.588 1.00 0.00 C ATOM 1427 NZ LYS A 92 -4.366 12.858 8.250 1.00 0.00 N ATOM 0 H LYS A 92 -5.897 10.015 5.155 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.449 10.400 7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.639 11.686 7.306 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.437 10.126 7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.761 10.670 9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.240 9.811 9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -6.640 12.844 9.623 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.162 11.850 10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.167 12.910 10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.015 11.313 9.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.847 12.193 7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.288 13.074 7.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.817 13.736 8.351 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.872 7.943 8.406 1.00 0.00 N ATOM 1442 CA ILE A 93 -4.849 6.489 8.625 1.00 0.00 C ATOM 1443 C ILE A 93 -6.246 5.941 8.924 1.00 0.00 C ATOM 1444 O ILE A 93 -6.952 6.464 9.793 1.00 0.00 O ATOM 1445 CB ILE A 93 -3.876 6.093 9.795 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -2.436 6.556 9.495 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -3.905 4.579 10.051 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -1.439 6.260 10.601 1.00 0.00 C ATOM 0 H ILE A 93 -4.482 8.488 9.175 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.486 6.045 7.698 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.222 6.599 10.696 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.096 6.075 8.578 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.444 7.630 9.308 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.223 4.335 10.865 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.916 4.275 10.321 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.597 4.051 9.148 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.453 6.619 10.307 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.751 6.764 11.516 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.397 5.185 10.775 1.00 0.00 H new ATOM 1460 N LEU A 94 -6.652 4.914 8.186 1.00 0.00 N ATOM 1461 CA LEU A 94 -7.891 4.235 8.461 1.00 0.00 C ATOM 1462 C LEU A 94 -7.622 2.970 9.220 1.00 0.00 C ATOM 1463 O LEU A 94 -8.091 2.797 10.350 1.00 0.00 O ATOM 1464 CB LEU A 94 -8.660 3.874 7.186 1.00 0.00 C ATOM 1465 CG LEU A 94 -9.239 5.008 6.356 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -10.045 4.432 5.205 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -10.113 5.923 7.207 1.00 0.00 C ATOM 0 H LEU A 94 -6.132 4.540 7.392 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.501 4.923 9.047 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.992 3.299 6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.480 3.213 7.467 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.417 5.605 5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.461 5.245 4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.398 3.818 4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.856 3.820 5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.513 6.725 6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.936 5.348 7.632 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.516 6.351 8.012 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.835 2.099 8.621 1.00 0.00 N ATOM 1480 CA ASP A 95 -6.592 0.798 9.164 1.00 0.00 C ATOM 1481 C ASP A 95 -5.357 0.195 8.597 1.00 0.00 C ATOM 1482 O ASP A 95 -4.889 0.597 7.537 1.00 0.00 O ATOM 1483 CB ASP A 95 -7.807 -0.141 9.045 1.00 0.00 C ATOM 1484 CG ASP A 95 -8.500 -0.149 7.692 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -7.988 -0.734 6.740 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -9.626 0.419 7.595 1.00 0.00 O ATOM 0 H ASP A 95 -6.350 2.284 7.743 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.429 0.933 10.233 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.483 -1.156 9.273 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.536 0.139 9.805 1.00 0.00 H new ATOM 1491 N LYS A 96 -4.795 -0.730 9.308 1.00 0.00 N ATOM 1492 CA LYS A 96 -3.557 -1.303 8.916 1.00 0.00 C ATOM 1493 C LYS A 96 -3.580 -2.800 9.203 1.00 0.00 C ATOM 1494 O LYS A 96 -4.080 -3.227 10.237 1.00 0.00 O ATOM 1495 CB LYS A 96 -2.455 -0.634 9.726 1.00 0.00 C ATOM 1496 CG LYS A 96 -1.058 -0.949 9.276 1.00 0.00 C ATOM 1497 CD LYS A 96 -0.011 -0.326 10.207 1.00 0.00 C ATOM 1498 CE LYS A 96 -0.112 -0.882 11.635 1.00 0.00 C ATOM 1499 NZ LYS A 96 0.882 -0.277 12.545 1.00 0.00 N ATOM 0 H LYS A 96 -5.184 -1.105 10.173 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.382 -1.154 7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.599 0.446 9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.560 -0.931 10.770 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.920 -2.030 9.244 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.910 -0.579 8.262 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.987 -0.519 9.812 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.142 0.756 10.228 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.114 -0.700 12.023 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.030 -1.962 11.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.775 -0.684 13.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.840 -0.472 12.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.732 0.751 12.589 1.00 0.00 H new ATOM 1513 N VAL A 97 -3.064 -3.579 8.291 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.983 -5.019 8.445 1.00 0.00 C ATOM 1515 C VAL A 97 -1.521 -5.423 8.465 1.00 0.00 C ATOM 1516 O VAL A 97 -0.781 -5.151 7.516 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.710 -5.762 7.283 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.606 -7.277 7.443 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -5.168 -5.341 7.209 1.00 0.00 C ATOM 0 H VAL A 97 -2.683 -3.236 7.410 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.474 -5.297 9.377 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.216 -5.485 6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.123 -7.766 6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.557 -7.572 7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.064 -7.576 8.386 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.659 -5.870 6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.665 -5.583 8.148 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.228 -4.267 7.033 1.00 0.00 H new ATOM 1529 N VAL A 98 -1.098 -6.038 9.533 1.00 0.00 N ATOM 1530 CA VAL A 98 0.268 -6.454 9.659 1.00 0.00 C ATOM 1531 C VAL A 98 0.391 -7.979 9.517 1.00 0.00 C ATOM 1532 O VAL A 98 -0.228 -8.754 10.271 1.00 0.00 O ATOM 1533 CB VAL A 98 0.907 -5.935 10.991 1.00 0.00 C ATOM 1534 CG1 VAL A 98 0.193 -6.462 12.231 1.00 0.00 C ATOM 1535 CG2 VAL A 98 2.388 -6.231 11.045 1.00 0.00 C ATOM 0 H VAL A 98 -1.686 -6.263 10.335 1.00 0.00 H new ATOM 0 HA VAL A 98 0.833 -6.003 8.844 1.00 0.00 H new ATOM 0 HB VAL A 98 0.778 -4.853 10.993 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.679 -6.070 13.125 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.849 -6.142 12.214 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.238 -7.551 12.242 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.800 -5.857 11.983 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.546 -7.308 10.983 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.888 -5.742 10.209 1.00 0.00 H new ATOM 1545 N GLY A 99 1.136 -8.401 8.530 1.00 0.00 N ATOM 1546 CA GLY A 99 1.332 -9.804 8.300 1.00 0.00 C ATOM 1547 C GLY A 99 0.441 -10.302 7.197 1.00 0.00 C ATOM 1548 O GLY A 99 -0.592 -9.691 6.903 1.00 0.00 O ATOM 0 H GLY A 99 1.618 -7.789 7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.374 -9.991 8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.126 -10.358 9.216 1.00 0.00 H new ATOM 1552 N ALA A 100 0.812 -11.395 6.576 1.00 0.00 N ATOM 1553 CA ALA A 100 0.012 -11.909 5.511 1.00 0.00 C ATOM 1554 C ALA A 100 -1.029 -12.846 6.055 1.00 0.00 C ATOM 1555 O ALA A 100 -0.723 -13.942 6.535 1.00 0.00 O ATOM 1556 CB ALA A 100 0.881 -12.627 4.484 1.00 0.00 C ATOM 0 H ALA A 100 1.651 -11.933 6.791 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.485 -11.074 5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.253 -13.011 3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.610 -11.929 4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.403 -13.455 4.964 1.00 0.00 H new ATOM 1562 N LYS A 101 -2.232 -12.392 6.022 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.365 -13.170 6.348 1.00 0.00 C ATOM 1564 C LYS A 101 -4.285 -13.053 5.180 1.00 0.00 C ATOM 1565 O LYS A 101 -4.799 -11.965 4.927 1.00 0.00 O ATOM 1566 CB LYS A 101 -4.058 -12.606 7.568 1.00 0.00 C ATOM 1567 CG LYS A 101 -3.231 -12.558 8.836 1.00 0.00 C ATOM 1568 CD LYS A 101 -4.032 -11.980 9.919 1.00 0.00 C ATOM 1569 CE LYS A 101 -3.251 -11.764 11.186 1.00 0.00 C ATOM 1570 NZ LYS A 101 -4.090 -11.112 12.210 1.00 0.00 N ATOM 0 H LYS A 101 -2.458 -11.433 5.757 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.084 -14.201 6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.392 -11.595 7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.951 -13.200 7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.903 -13.561 9.107 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.333 -11.962 8.675 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -4.445 -11.027 9.588 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.876 -12.637 10.128 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.886 -12.720 11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.376 -11.148 10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.538 -10.987 13.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.403 -10.183 11.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.921 -11.706 12.408 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.481 -14.117 4.454 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.303 -14.071 3.286 1.00 0.00 C ATOM 1586 C LYS A 102 -6.732 -13.683 3.648 1.00 0.00 C ATOM 1587 O LYS A 102 -7.299 -12.751 3.067 1.00 0.00 O ATOM 1588 CB LYS A 102 -5.284 -15.409 2.570 1.00 0.00 C ATOM 1589 CG LYS A 102 -6.074 -15.405 1.286 1.00 0.00 C ATOM 1590 CD LYS A 102 -6.100 -16.768 0.605 1.00 0.00 C ATOM 1591 CE LYS A 102 -4.708 -17.255 0.213 1.00 0.00 C ATOM 1592 NZ LYS A 102 -4.760 -18.553 -0.491 1.00 0.00 N ATOM 0 H LYS A 102 -4.078 -15.032 4.656 1.00 0.00 H new ATOM 0 HA LYS A 102 -4.901 -13.312 2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.252 -15.684 2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.685 -16.175 3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.096 -15.088 1.494 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.646 -14.671 0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.560 -17.495 1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.726 -16.713 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.230 -16.513 -0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.091 -17.350 1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.796 -18.851 -0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.193 -19.267 0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.328 -18.456 -1.357 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.279 -14.357 4.645 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.665 -14.154 5.055 1.00 0.00 C ATOM 1608 C ASP A 103 -8.904 -12.763 5.630 1.00 0.00 C ATOM 1609 O ASP A 103 -9.858 -12.071 5.234 1.00 0.00 O ATOM 1610 CB ASP A 103 -9.108 -15.226 6.042 1.00 0.00 C ATOM 1611 CG ASP A 103 -10.525 -15.019 6.512 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -11.465 -15.369 5.770 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -10.716 -14.514 7.631 1.00 0.00 O ATOM 0 H ASP A 103 -6.781 -15.058 5.193 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.273 -14.238 4.154 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.022 -16.206 5.573 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.438 -15.224 6.902 1.00 0.00 H new ATOM 1618 N GLU A 104 -8.036 -12.342 6.547 1.00 0.00 N ATOM 1619 CA GLU A 104 -8.158 -11.018 7.160 1.00 0.00 C ATOM 1620 C GLU A 104 -7.969 -9.926 6.125 1.00 0.00 C ATOM 1621 O GLU A 104 -8.605 -8.863 6.201 1.00 0.00 O ATOM 1622 CB GLU A 104 -7.180 -10.846 8.325 1.00 0.00 C ATOM 1623 CG GLU A 104 -7.235 -9.476 8.990 1.00 0.00 C ATOM 1624 CD GLU A 104 -6.315 -9.368 10.172 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -5.135 -9.058 10.002 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -6.770 -9.605 11.307 1.00 0.00 O ATOM 0 H GLU A 104 -7.245 -12.893 6.881 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.166 -10.933 7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.387 -11.610 9.074 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.167 -11.021 7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.972 -8.711 8.259 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.257 -9.273 9.310 1.00 0.00 H new ATOM 1633 N LEU A 105 -7.118 -10.189 5.145 1.00 0.00 N ATOM 1634 CA LEU A 105 -6.902 -9.245 4.077 1.00 0.00 C ATOM 1635 C LEU A 105 -8.188 -9.062 3.333 1.00 0.00 C ATOM 1636 O LEU A 105 -8.631 -7.952 3.131 1.00 0.00 O ATOM 1637 CB LEU A 105 -5.855 -9.743 3.109 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.444 -8.757 2.009 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -4.837 -7.490 2.606 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -4.479 -9.405 1.044 1.00 0.00 C ATOM 0 H LEU A 105 -6.571 -11.047 5.073 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.558 -8.306 4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.965 -10.019 3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.227 -10.652 2.636 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.342 -8.474 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.555 -6.809 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.569 -7.006 3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.953 -7.750 3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.200 -8.688 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.586 -9.725 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.953 -10.271 0.581 1.00 0.00 H new ATOM 1652 N GLN A 106 -8.798 -10.182 2.959 1.00 0.00 N ATOM 1653 CA GLN A 106 -10.077 -10.162 2.222 1.00 0.00 C ATOM 1654 C GLN A 106 -11.129 -9.401 3.021 1.00 0.00 C ATOM 1655 O GLN A 106 -11.899 -8.622 2.467 1.00 0.00 O ATOM 1656 CB GLN A 106 -10.619 -11.577 1.922 1.00 0.00 C ATOM 1657 CG GLN A 106 -9.670 -12.534 1.207 1.00 0.00 C ATOM 1658 CD GLN A 106 -9.058 -11.964 -0.048 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -9.613 -12.072 -1.138 1.00 0.00 O ATOM 1660 NE2 GLN A 106 -7.886 -11.395 0.090 1.00 0.00 N ATOM 0 H GLN A 106 -8.437 -11.117 3.149 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.877 -9.668 1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.918 -12.035 2.865 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.520 -11.476 1.317 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.871 -12.818 1.892 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.212 -13.445 0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.459 -11.325 1.013 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.401 -11.022 -0.726 1.00 0.00 H new ATOM 1669 N SER A 107 -11.125 -9.609 4.327 1.00 0.00 N ATOM 1670 CA SER A 107 -12.068 -8.957 5.209 1.00 0.00 C ATOM 1671 C SER A 107 -11.831 -7.442 5.208 1.00 0.00 C ATOM 1672 O SER A 107 -12.776 -6.646 5.180 1.00 0.00 O ATOM 1673 CB SER A 107 -11.952 -9.547 6.630 1.00 0.00 C ATOM 1674 OG SER A 107 -12.854 -8.939 7.532 1.00 0.00 O ATOM 0 H SER A 107 -10.470 -10.232 4.800 1.00 0.00 H new ATOM 0 HA SER A 107 -13.082 -9.135 4.852 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.143 -10.619 6.594 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.933 -9.417 6.994 1.00 0.00 H new ATOM 0 HG SER A 107 -12.750 -9.341 8.420 1.00 0.00 H new ATOM 1680 N THR A 108 -10.576 -7.057 5.200 1.00 0.00 N ATOM 1681 CA THR A 108 -10.206 -5.671 5.176 1.00 0.00 C ATOM 1682 C THR A 108 -10.519 -5.069 3.796 1.00 0.00 C ATOM 1683 O THR A 108 -10.900 -3.900 3.685 1.00 0.00 O ATOM 1684 CB THR A 108 -8.714 -5.503 5.523 1.00 0.00 C ATOM 1685 OG1 THR A 108 -8.461 -6.158 6.782 1.00 0.00 O ATOM 1686 CG2 THR A 108 -8.348 -4.028 5.652 1.00 0.00 C ATOM 0 H THR A 108 -9.785 -7.701 5.210 1.00 0.00 H new ATOM 0 HA THR A 108 -10.787 -5.137 5.928 1.00 0.00 H new ATOM 0 HB THR A 108 -8.113 -5.942 4.726 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.481 -7.130 6.655 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.290 -3.936 5.897 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.547 -3.520 4.709 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.945 -3.573 6.443 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.391 -5.880 2.752 1.00 0.00 N ATOM 1695 CA ILE A 109 -10.717 -5.431 1.417 1.00 0.00 C ATOM 1696 C ILE A 109 -12.208 -5.176 1.318 1.00 0.00 C ATOM 1697 O ILE A 109 -12.624 -4.151 0.812 1.00 0.00 O ATOM 1698 CB ILE A 109 -10.274 -6.432 0.313 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -8.759 -6.691 0.384 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -10.663 -5.916 -1.072 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -7.904 -5.444 0.284 1.00 0.00 C ATOM 0 H ILE A 109 -10.065 -6.845 2.810 1.00 0.00 H new ATOM 0 HA ILE A 109 -10.162 -4.509 1.243 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.791 -7.376 0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.533 -7.197 1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.481 -7.372 -0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.344 -6.632 -1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.745 -5.792 -1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.178 -4.956 -1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.851 -5.719 0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.096 -4.946 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.149 -4.768 1.104 1.00 0.00 H new ATOM 1713 N ALA A 110 -13.005 -6.093 1.860 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.460 -5.954 1.854 1.00 0.00 C ATOM 1715 C ALA A 110 -14.892 -4.736 2.659 1.00 0.00 C ATOM 1716 O ALA A 110 -15.894 -4.102 2.348 1.00 0.00 O ATOM 1717 CB ALA A 110 -15.122 -7.214 2.375 1.00 0.00 C ATOM 0 H ALA A 110 -12.667 -6.943 2.311 1.00 0.00 H new ATOM 0 HA ALA A 110 -14.783 -5.805 0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.205 -7.088 2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -14.847 -8.058 1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.791 -7.403 3.396 1.00 0.00 H new ATOM 1723 N LYS A 111 -14.120 -4.419 3.685 1.00 0.00 N ATOM 1724 CA LYS A 111 -14.361 -3.247 4.520 1.00 0.00 C ATOM 1725 C LYS A 111 -14.281 -1.985 3.670 1.00 0.00 C ATOM 1726 O LYS A 111 -15.095 -1.070 3.790 1.00 0.00 O ATOM 1727 CB LYS A 111 -13.281 -3.159 5.563 1.00 0.00 C ATOM 1728 CG LYS A 111 -13.505 -2.089 6.611 1.00 0.00 C ATOM 1729 CD LYS A 111 -12.309 -1.947 7.527 1.00 0.00 C ATOM 1730 CE LYS A 111 -12.563 -0.894 8.590 1.00 0.00 C ATOM 1731 NZ LYS A 111 -11.370 -0.650 9.416 1.00 0.00 N ATOM 0 H LYS A 111 -13.306 -4.966 3.966 1.00 0.00 H new ATOM 0 HA LYS A 111 -15.346 -3.335 4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -13.195 -4.125 6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -12.329 -2.970 5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -13.704 -1.136 6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -14.388 -2.335 7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -12.094 -2.904 8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.429 -1.676 6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.871 0.036 8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -13.387 -1.213 9.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.649 -0.174 10.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.913 -1.556 9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.703 -0.047 8.893 1.00 0.00 H new ATOM 1745 N HIS A 112 -13.272 -1.949 2.825 1.00 0.00 N ATOM 1746 CA HIS A 112 -13.015 -0.826 1.958 1.00 0.00 C ATOM 1747 C HIS A 112 -13.813 -0.897 0.650 1.00 0.00 C ATOM 1748 O HIS A 112 -13.968 0.116 -0.039 1.00 0.00 O ATOM 1749 CB HIS A 112 -11.512 -0.715 1.661 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.650 -0.290 2.829 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -10.147 0.976 2.968 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -10.184 -0.979 3.898 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -9.419 1.046 4.054 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -9.427 -0.125 4.631 1.00 0.00 N ATOM 0 H HIS A 112 -12.601 -2.710 2.722 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.347 0.068 2.486 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.157 -1.681 1.302 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.371 -0.002 0.849 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.379 -2.017 4.125 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.900 1.923 4.412 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -8.941 -0.360 5.496 1.00 0.00 H new ATOM 1763 N LEU A 113 -14.300 -2.080 0.305 1.00 0.00 N ATOM 1764 CA LEU A 113 -15.052 -2.278 -0.896 1.00 0.00 C ATOM 1765 C LEU A 113 -16.395 -1.579 -0.763 1.00 0.00 C ATOM 1766 O LEU A 113 -17.210 -1.936 0.090 1.00 0.00 O ATOM 1767 CB LEU A 113 -15.222 -3.783 -1.131 1.00 0.00 C ATOM 1768 CG LEU A 113 -15.633 -4.248 -2.518 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -15.529 -5.753 -2.607 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -17.032 -3.798 -2.926 1.00 0.00 C ATOM 0 H LEU A 113 -14.176 -2.925 0.862 1.00 0.00 H new ATOM 0 HA LEU A 113 -14.532 -1.852 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -14.278 -4.268 -0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -15.965 -4.149 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 113 -14.943 -3.777 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -15.825 -6.080 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -14.500 -6.059 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -16.186 -6.208 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -17.255 -4.167 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -17.762 -4.196 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -17.080 -2.709 -2.922 1.00 0.00 H new