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 Single : A 7 GLN : amide:sc=-0.000218 K(o=-0.00022,f=-0.65) USER MOD Single : A 11 CYS SG : rot 106:sc= -1.92 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0462 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 20 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.22) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0704) USER MOD Single : A 25 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.6!) USER MOD Single : A 27 SER OG : rot 89:sc= 0.0354 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 170:sc= -2.23! USER MOD Single : A 38 SER OG : rot 79:sc= 1.13 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 159:sc= -0.138 (180deg=-0.522) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 64 LYS NZ :NH3+ 158:sc= 1 (180deg=0.317) USER MOD Single : A 67 THR OG1 : rot 154:sc= 1.03 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= -0.234 K(o=-0.23,f=-0.82) USER MOD Single : A 82 MET CE :methyl -112:sc= -0.291 (180deg=-0.686) USER MOD Single : A 84 THR OG1 : rot -160:sc= -0.131 USER MOD Single : A 86 MET CE :methyl -162:sc= -0.195 (180deg=-0.809) USER MOD Single : A 89 LYS NZ :NH3+ -157:sc= 1.24 (180deg=1.15) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN :FLIP amide:sc= -2.2! C(o=-4.5!,f=-2.2!) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0209 USER MOD Single : A 108 THR OG1 : rot 73:sc= 1.15 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 69 N GLY A 6 -3.988 -0.803 -12.282 1.00 0.00 N ATOM 70 CA GLY A 6 -3.145 -1.899 -11.870 1.00 0.00 C ATOM 71 C GLY A 6 -1.788 -1.378 -11.513 1.00 0.00 C ATOM 72 O GLY A 6 -0.838 -2.139 -11.303 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.587 -2.410 -11.014 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.065 -2.632 -12.673 1.00 0.00 H new ATOM 76 N GLN A 7 -1.707 -0.068 -11.425 1.00 0.00 N ATOM 77 CA GLN A 7 -0.486 0.590 -11.150 1.00 0.00 C ATOM 78 C GLN A 7 -0.308 0.934 -9.720 1.00 0.00 C ATOM 79 O GLN A 7 -1.189 1.483 -9.055 1.00 0.00 O ATOM 80 CB GLN A 7 -0.189 1.749 -12.116 1.00 0.00 C ATOM 81 CG GLN A 7 -1.312 2.785 -12.340 1.00 0.00 C ATOM 82 CD GLN A 7 -1.551 3.732 -11.172 1.00 0.00 C ATOM 83 OE1 GLN A 7 -0.630 4.063 -10.427 1.00 0.00 O ATOM 84 NE2 GLN A 7 -2.781 4.179 -11.008 1.00 0.00 N ATOM 0 H GLN A 7 -2.503 0.559 -11.546 1.00 0.00 H new ATOM 0 HA GLN A 7 0.292 -0.146 -11.352 1.00 0.00 H new ATOM 0 HB2 GLN A 7 0.691 2.278 -11.749 1.00 0.00 H new ATOM 0 HB3 GLN A 7 0.076 1.323 -13.084 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.071 3.375 -13.224 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -2.239 2.254 -12.554 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.520 3.883 -11.645 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.993 4.821 -10.244 1.00 0.00 H new ATOM 93 N VAL A 8 0.802 0.541 -9.253 1.00 0.00 N ATOM 94 CA VAL A 8 1.228 0.770 -7.910 1.00 0.00 C ATOM 95 C VAL A 8 2.486 1.609 -7.980 1.00 0.00 C ATOM 96 O VAL A 8 3.335 1.364 -8.848 1.00 0.00 O ATOM 97 CB VAL A 8 1.527 -0.574 -7.193 1.00 0.00 C ATOM 98 CG1 VAL A 8 1.954 -0.348 -5.770 1.00 0.00 C ATOM 99 CG2 VAL A 8 0.318 -1.499 -7.235 1.00 0.00 C ATOM 0 H VAL A 8 1.483 0.025 -9.810 1.00 0.00 H new ATOM 0 HA VAL A 8 0.447 1.278 -7.344 1.00 0.00 H new ATOM 0 HB VAL A 8 2.348 -1.052 -7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.156 -1.308 -5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.857 0.263 -5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.159 0.165 -5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.556 -2.433 -6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.525 -1.019 -6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.056 -1.708 -8.272 1.00 0.00 H new ATOM 109 N ILE A 9 2.619 2.590 -7.124 1.00 0.00 N ATOM 110 CA ILE A 9 3.801 3.397 -7.159 1.00 0.00 C ATOM 111 C ILE A 9 4.898 2.733 -6.343 1.00 0.00 C ATOM 112 O ILE A 9 4.808 2.625 -5.112 1.00 0.00 O ATOM 113 CB ILE A 9 3.530 4.819 -6.630 1.00 0.00 C ATOM 114 CG1 ILE A 9 2.455 5.510 -7.483 1.00 0.00 C ATOM 115 CG2 ILE A 9 4.814 5.653 -6.599 1.00 0.00 C ATOM 116 CD1 ILE A 9 2.800 5.640 -8.960 1.00 0.00 C ATOM 0 H ILE A 9 1.936 2.842 -6.410 1.00 0.00 H new ATOM 0 HA ILE A 9 4.122 3.486 -8.197 1.00 0.00 H new ATOM 0 HB ILE A 9 3.163 4.735 -5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.523 4.953 -7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.273 6.505 -7.077 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.591 6.651 -6.221 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.544 5.173 -5.947 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.223 5.729 -7.607 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.984 6.139 -9.482 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.713 6.225 -9.070 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.951 4.649 -9.387 1.00 0.00 H new ATOM 128 N ALA A 10 5.918 2.288 -7.020 1.00 0.00 N ATOM 129 CA ALA A 10 7.030 1.642 -6.384 1.00 0.00 C ATOM 130 C ALA A 10 8.070 2.671 -6.034 1.00 0.00 C ATOM 131 O ALA A 10 8.672 3.293 -6.915 1.00 0.00 O ATOM 132 CB ALA A 10 7.621 0.571 -7.290 1.00 0.00 C ATOM 0 H ALA A 10 6.002 2.364 -8.034 1.00 0.00 H new ATOM 0 HA ALA A 10 6.685 1.155 -5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.463 0.094 -6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.860 -0.177 -7.513 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.964 1.028 -8.218 1.00 0.00 H new ATOM 138 N CYS A 11 8.267 2.879 -4.771 1.00 0.00 N ATOM 139 CA CYS A 11 9.199 3.837 -4.328 1.00 0.00 C ATOM 140 C CYS A 11 10.524 3.167 -4.083 1.00 0.00 C ATOM 141 O CYS A 11 10.653 2.340 -3.191 1.00 0.00 O ATOM 142 CB CYS A 11 8.704 4.464 -3.058 1.00 0.00 C ATOM 143 SG CYS A 11 7.013 5.099 -3.172 1.00 0.00 S ATOM 0 H CYS A 11 7.780 2.383 -4.025 1.00 0.00 H new ATOM 0 HA CYS A 11 9.321 4.610 -5.087 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.753 3.727 -2.256 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.371 5.280 -2.782 1.00 0.00 H new ATOM 0 HG CYS A 11 6.208 4.308 -2.526 1.00 0.00 H new ATOM 149 N HIS A 12 11.484 3.495 -4.890 1.00 0.00 N ATOM 150 CA HIS A 12 12.825 2.961 -4.743 1.00 0.00 C ATOM 151 C HIS A 12 13.659 3.952 -3.965 1.00 0.00 C ATOM 152 O HIS A 12 14.841 3.726 -3.683 1.00 0.00 O ATOM 153 CB HIS A 12 13.474 2.719 -6.119 1.00 0.00 C ATOM 154 CG HIS A 12 12.789 1.701 -6.986 1.00 0.00 C ATOM 155 ND1 HIS A 12 13.243 0.413 -7.136 1.00 0.00 N ATOM 156 CD2 HIS A 12 11.689 1.798 -7.770 1.00 0.00 C ATOM 157 CE1 HIS A 12 12.460 -0.236 -7.969 1.00 0.00 C ATOM 158 NE2 HIS A 12 11.509 0.578 -8.370 1.00 0.00 N ATOM 0 H HIS A 12 11.372 4.139 -5.673 1.00 0.00 H new ATOM 0 HA HIS A 12 12.771 2.008 -4.216 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.507 3.666 -6.657 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.506 2.404 -5.964 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.069 2.673 -7.899 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.578 -1.266 -8.273 1.00 0.00 H new ATOM 0 HE2 HIS A 12 10.760 0.341 -9.021 1.00 0.00 H new ATOM 167 N THR A 13 13.027 5.060 -3.615 1.00 0.00 N ATOM 168 CA THR A 13 13.691 6.125 -2.943 1.00 0.00 C ATOM 169 C THR A 13 12.670 6.796 -2.030 1.00 0.00 C ATOM 170 O THR A 13 11.452 6.655 -2.239 1.00 0.00 O ATOM 171 CB THR A 13 14.175 7.180 -3.966 1.00 0.00 C ATOM 172 OG1 THR A 13 14.720 6.530 -5.122 1.00 0.00 O ATOM 173 CG2 THR A 13 15.271 8.048 -3.370 1.00 0.00 C ATOM 0 H THR A 13 12.038 5.231 -3.796 1.00 0.00 H new ATOM 0 HA THR A 13 14.545 5.737 -2.388 1.00 0.00 H new ATOM 0 HB THR A 13 13.316 7.795 -4.235 1.00 0.00 H new ATOM 0 HG1 THR A 13 15.022 7.205 -5.765 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.595 8.782 -4.108 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.888 8.563 -2.489 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.117 7.422 -3.085 1.00 0.00 H new ATOM 181 N VAL A 14 13.150 7.536 -1.068 1.00 0.00 N ATOM 182 CA VAL A 14 12.308 8.253 -0.119 1.00 0.00 C ATOM 183 C VAL A 14 11.643 9.446 -0.824 1.00 0.00 C ATOM 184 O VAL A 14 10.589 9.930 -0.418 1.00 0.00 O ATOM 185 CB VAL A 14 13.135 8.744 1.120 1.00 0.00 C ATOM 186 CG1 VAL A 14 14.225 9.741 0.724 1.00 0.00 C ATOM 187 CG2 VAL A 14 12.232 9.326 2.203 1.00 0.00 C ATOM 0 H VAL A 14 14.149 7.667 -0.910 1.00 0.00 H new ATOM 0 HA VAL A 14 11.540 7.571 0.246 1.00 0.00 H new ATOM 0 HB VAL A 14 13.631 7.866 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.772 10.054 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.913 9.269 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.768 10.612 0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.840 9.656 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.681 10.175 1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.529 8.564 2.539 1.00 0.00 H new ATOM 197 N GLU A 15 12.271 9.878 -1.910 1.00 0.00 N ATOM 198 CA GLU A 15 11.804 10.995 -2.710 1.00 0.00 C ATOM 199 C GLU A 15 10.427 10.656 -3.291 1.00 0.00 C ATOM 200 O GLU A 15 9.455 11.386 -3.074 1.00 0.00 O ATOM 201 CB GLU A 15 12.862 11.243 -3.822 1.00 0.00 C ATOM 202 CG GLU A 15 12.686 12.476 -4.730 1.00 0.00 C ATOM 203 CD GLU A 15 11.501 12.414 -5.663 1.00 0.00 C ATOM 204 OE1 GLU A 15 11.588 11.706 -6.697 1.00 0.00 O ATOM 205 OE2 GLU A 15 10.484 13.089 -5.396 1.00 0.00 O ATOM 0 H GLU A 15 13.130 9.455 -2.262 1.00 0.00 H new ATOM 0 HA GLU A 15 11.691 11.903 -2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.838 11.319 -3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.888 10.360 -4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.589 13.361 -4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.591 12.604 -5.324 1.00 0.00 H new ATOM 212 N THR A 16 10.347 9.513 -3.949 1.00 0.00 N ATOM 213 CA THR A 16 9.118 9.041 -4.557 1.00 0.00 C ATOM 214 C THR A 16 8.076 8.753 -3.473 1.00 0.00 C ATOM 215 O THR A 16 6.888 9.018 -3.635 1.00 0.00 O ATOM 216 CB THR A 16 9.418 7.751 -5.337 1.00 0.00 C ATOM 217 OG1 THR A 16 10.539 7.989 -6.202 1.00 0.00 O ATOM 218 CG2 THR A 16 8.225 7.320 -6.175 1.00 0.00 C ATOM 0 H THR A 16 11.139 8.883 -4.077 1.00 0.00 H new ATOM 0 HA THR A 16 8.725 9.803 -5.230 1.00 0.00 H new ATOM 0 HB THR A 16 9.638 6.956 -4.625 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.743 7.173 -6.705 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.470 6.405 -6.714 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.369 7.140 -5.524 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.979 8.106 -6.889 1.00 0.00 H new ATOM 226 N TRP A 17 8.561 8.231 -2.380 1.00 0.00 N ATOM 227 CA TRP A 17 7.758 7.887 -1.237 1.00 0.00 C ATOM 228 C TRP A 17 7.049 9.105 -0.631 1.00 0.00 C ATOM 229 O TRP A 17 5.826 9.138 -0.542 1.00 0.00 O ATOM 230 CB TRP A 17 8.680 7.194 -0.220 1.00 0.00 C ATOM 231 CG TRP A 17 8.120 6.967 1.144 1.00 0.00 C ATOM 232 CD1 TRP A 17 8.640 7.437 2.310 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.940 6.248 1.492 1.00 0.00 C ATOM 234 NE1 TRP A 17 7.880 7.035 3.361 1.00 0.00 N ATOM 235 CE2 TRP A 17 6.822 6.305 2.888 1.00 0.00 C ATOM 236 CE3 TRP A 17 5.979 5.558 0.763 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.777 5.698 3.568 1.00 0.00 C ATOM 238 CZ3 TRP A 17 4.946 4.962 1.439 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.851 5.034 2.830 1.00 0.00 C ATOM 0 H TRP A 17 9.553 8.027 -2.256 1.00 0.00 H new ATOM 0 HA TRP A 17 6.955 7.215 -1.539 1.00 0.00 H new ATOM 0 HB2 TRP A 17 8.976 6.229 -0.631 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.587 7.790 -0.121 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.530 8.043 2.388 1.00 0.00 H new ATOM 0 HE1 TRP A 17 8.066 7.243 4.342 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.045 5.493 -0.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.703 5.751 4.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 4.190 4.426 0.884 1.00 0.00 H new ATOM 0 HH2 TRP A 17 4.024 4.551 3.329 1.00 0.00 H new ATOM 250 N ASN A 18 7.807 10.111 -0.282 1.00 0.00 N ATOM 251 CA ASN A 18 7.256 11.264 0.421 1.00 0.00 C ATOM 252 C ASN A 18 6.396 12.133 -0.490 1.00 0.00 C ATOM 253 O ASN A 18 5.322 12.595 -0.091 1.00 0.00 O ATOM 254 CB ASN A 18 8.375 12.100 1.022 1.00 0.00 C ATOM 255 CG ASN A 18 7.864 13.199 1.940 1.00 0.00 C ATOM 256 OD1 ASN A 18 6.824 13.061 2.594 1.00 0.00 O ATOM 257 ND2 ASN A 18 8.585 14.276 2.011 1.00 0.00 N ATOM 0 H ASN A 18 8.808 10.165 -0.468 1.00 0.00 H new ATOM 0 HA ASN A 18 6.617 10.881 1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.048 11.450 1.581 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.960 12.547 0.218 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.299 15.042 2.621 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.438 14.356 1.457 1.00 0.00 H new ATOM 264 N GLU A 19 6.865 12.326 -1.717 1.00 0.00 N ATOM 265 CA GLU A 19 6.192 13.192 -2.700 1.00 0.00 C ATOM 266 C GLU A 19 4.749 12.717 -2.957 1.00 0.00 C ATOM 267 O GLU A 19 3.796 13.509 -2.927 1.00 0.00 O ATOM 268 CB GLU A 19 6.988 13.195 -4.010 1.00 0.00 C ATOM 269 CG GLU A 19 6.455 14.122 -5.090 1.00 0.00 C ATOM 270 CD GLU A 19 6.509 15.581 -4.700 1.00 0.00 C ATOM 271 OE1 GLU A 19 7.567 16.220 -4.897 1.00 0.00 O ATOM 272 OE2 GLU A 19 5.500 16.121 -4.227 1.00 0.00 O ATOM 0 H GLU A 19 7.719 11.892 -2.066 1.00 0.00 H new ATOM 0 HA GLU A 19 6.147 14.205 -2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.018 13.475 -3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.011 12.179 -4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.031 13.975 -6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.424 13.851 -5.317 1.00 0.00 H new ATOM 279 N GLN A 20 4.595 11.425 -3.189 1.00 0.00 N ATOM 280 CA GLN A 20 3.327 10.838 -3.426 1.00 0.00 C ATOM 281 C GLN A 20 2.411 10.858 -2.216 1.00 0.00 C ATOM 282 O GLN A 20 1.199 10.984 -2.370 1.00 0.00 O ATOM 283 CB GLN A 20 3.500 9.468 -4.010 1.00 0.00 C ATOM 284 CG GLN A 20 3.659 9.458 -5.530 1.00 0.00 C ATOM 285 CD GLN A 20 4.728 10.400 -6.071 1.00 0.00 C ATOM 286 OE1 GLN A 20 4.444 11.553 -6.385 1.00 0.00 O ATOM 287 NE2 GLN A 20 5.930 9.931 -6.176 1.00 0.00 N ATOM 0 H GLN A 20 5.370 10.762 -3.214 1.00 0.00 H new ATOM 0 HA GLN A 20 2.809 11.457 -4.158 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.375 9.000 -3.560 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.638 8.857 -3.741 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.895 8.443 -5.849 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.702 9.720 -5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.127 8.968 -5.905 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.680 10.525 -6.530 1.00 0.00 H new ATOM 296 N LEU A 21 2.973 10.755 -1.021 1.00 0.00 N ATOM 297 CA LEU A 21 2.206 10.823 0.173 1.00 0.00 C ATOM 298 C LEU A 21 1.626 12.199 0.364 1.00 0.00 C ATOM 299 O LEU A 21 0.439 12.336 0.652 1.00 0.00 O ATOM 300 CB LEU A 21 3.052 10.461 1.343 1.00 0.00 C ATOM 301 CG LEU A 21 3.540 9.028 1.454 1.00 0.00 C ATOM 302 CD1 LEU A 21 4.387 8.877 2.699 1.00 0.00 C ATOM 303 CD2 LEU A 21 2.372 8.050 1.481 1.00 0.00 C ATOM 0 H LEU A 21 3.973 10.622 -0.872 1.00 0.00 H new ATOM 0 HA LEU A 21 1.383 10.113 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.926 11.112 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.489 10.693 2.247 1.00 0.00 H new ATOM 0 HG LEU A 21 4.144 8.797 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.737 7.848 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.244 9.548 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.791 9.126 3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.752 7.032 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.735 8.268 2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.792 8.150 0.563 1.00 0.00 H new ATOM 315 N GLN A 22 2.460 13.217 0.196 1.00 0.00 N ATOM 316 CA GLN A 22 2.006 14.589 0.299 1.00 0.00 C ATOM 317 C GLN A 22 0.919 14.844 -0.715 1.00 0.00 C ATOM 318 O GLN A 22 -0.089 15.475 -0.412 1.00 0.00 O ATOM 319 CB GLN A 22 3.147 15.568 0.088 1.00 0.00 C ATOM 320 CG GLN A 22 4.238 15.486 1.128 1.00 0.00 C ATOM 321 CD GLN A 22 5.338 16.472 0.867 1.00 0.00 C ATOM 322 OE1 GLN A 22 6.300 16.173 0.179 1.00 0.00 O ATOM 323 NE2 GLN A 22 5.206 17.655 1.407 1.00 0.00 N ATOM 0 H GLN A 22 3.453 13.114 -0.012 1.00 0.00 H new ATOM 0 HA GLN A 22 1.614 14.741 1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.584 15.391 -0.895 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.744 16.581 0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.813 15.670 2.115 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.651 14.477 1.142 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.387 17.867 1.976 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.922 18.366 1.259 1.00 0.00 H new ATOM 332 N LYS A 23 1.118 14.311 -1.909 1.00 0.00 N ATOM 333 CA LYS A 23 0.159 14.435 -2.978 1.00 0.00 C ATOM 334 C LYS A 23 -1.160 13.738 -2.590 1.00 0.00 C ATOM 335 O LYS A 23 -2.226 14.301 -2.765 1.00 0.00 O ATOM 336 CB LYS A 23 0.774 13.886 -4.311 1.00 0.00 C ATOM 337 CG LYS A 23 -0.064 14.069 -5.609 1.00 0.00 C ATOM 338 CD LYS A 23 -1.300 13.170 -5.680 1.00 0.00 C ATOM 339 CE LYS A 23 -0.930 11.692 -5.778 1.00 0.00 C ATOM 340 NZ LYS A 23 -0.258 11.352 -7.058 1.00 0.00 N ATOM 0 H LYS A 23 1.953 13.780 -2.158 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.080 15.485 -3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.740 14.369 -4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.967 12.821 -4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.379 15.110 -5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.571 13.866 -6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.916 13.331 -4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.903 13.450 -6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.274 11.430 -4.948 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.832 11.088 -5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.167 10.319 -7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.823 11.713 -7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.687 11.786 -7.080 1.00 0.00 H new ATOM 354 N ALA A 24 -1.076 12.532 -2.030 1.00 0.00 N ATOM 355 CA ALA A 24 -2.277 11.783 -1.657 1.00 0.00 C ATOM 356 C ALA A 24 -3.018 12.461 -0.504 1.00 0.00 C ATOM 357 O ALA A 24 -4.247 12.455 -0.453 1.00 0.00 O ATOM 358 CB ALA A 24 -1.920 10.352 -1.290 1.00 0.00 C ATOM 0 H ALA A 24 -0.198 12.055 -1.826 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.942 11.767 -2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.825 9.810 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.450 9.864 -2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.229 10.354 -0.447 1.00 0.00 H new ATOM 364 N ASN A 25 -2.266 13.047 0.397 1.00 0.00 N ATOM 365 CA ASN A 25 -2.816 13.721 1.571 1.00 0.00 C ATOM 366 C ASN A 25 -3.511 14.997 1.136 1.00 0.00 C ATOM 367 O ASN A 25 -4.694 15.222 1.417 1.00 0.00 O ATOM 368 CB ASN A 25 -1.663 14.101 2.505 1.00 0.00 C ATOM 369 CG ASN A 25 -2.098 14.541 3.904 1.00 0.00 C ATOM 370 OD1 ASN A 25 -3.191 15.081 4.111 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.239 14.314 4.872 1.00 0.00 N ATOM 0 H ASN A 25 -1.248 13.075 0.345 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.521 13.061 2.076 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.992 13.247 2.599 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.091 14.907 2.046 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.465 14.585 5.829 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.346 13.866 4.667 1.00 0.00 H new ATOM 378 N GLU A 26 -2.765 15.805 0.419 1.00 0.00 N ATOM 379 CA GLU A 26 -3.217 17.115 -0.056 1.00 0.00 C ATOM 380 C GLU A 26 -4.388 16.994 -1.034 1.00 0.00 C ATOM 381 O GLU A 26 -5.366 17.739 -0.944 1.00 0.00 O ATOM 382 CB GLU A 26 -2.055 17.850 -0.722 1.00 0.00 C ATOM 383 CG GLU A 26 -2.372 19.254 -1.195 1.00 0.00 C ATOM 384 CD GLU A 26 -1.200 19.894 -1.877 1.00 0.00 C ATOM 385 OE1 GLU A 26 -0.236 20.276 -1.192 1.00 0.00 O ATOM 386 OE2 GLU A 26 -1.215 20.007 -3.121 1.00 0.00 O ATOM 0 H GLU A 26 -1.811 15.578 0.139 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.567 17.681 0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.224 17.899 -0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.715 17.263 -1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.218 19.223 -1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.674 19.864 -0.344 1.00 0.00 H new ATOM 393 N SER A 27 -4.297 16.055 -1.944 1.00 0.00 N ATOM 394 CA SER A 27 -5.321 15.872 -2.933 1.00 0.00 C ATOM 395 C SER A 27 -6.437 14.964 -2.421 1.00 0.00 C ATOM 396 O SER A 27 -7.325 14.580 -3.184 1.00 0.00 O ATOM 397 CB SER A 27 -4.700 15.329 -4.202 1.00 0.00 C ATOM 398 OG SER A 27 -3.666 16.208 -4.658 1.00 0.00 O ATOM 0 H SER A 27 -3.516 15.403 -2.017 1.00 0.00 H new ATOM 0 HA SER A 27 -5.780 16.837 -3.150 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.290 14.336 -4.019 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.463 15.222 -4.973 1.00 0.00 H new ATOM 0 HG SER A 27 -2.815 15.955 -4.243 1.00 0.00 H new ATOM 404 N LYS A 28 -6.375 14.627 -1.123 1.00 0.00 N ATOM 405 CA LYS A 28 -7.396 13.836 -0.445 1.00 0.00 C ATOM 406 C LYS A 28 -7.726 12.551 -1.177 1.00 0.00 C ATOM 407 O LYS A 28 -8.884 12.266 -1.505 1.00 0.00 O ATOM 408 CB LYS A 28 -8.626 14.663 -0.163 1.00 0.00 C ATOM 409 CG LYS A 28 -8.351 15.842 0.748 1.00 0.00 C ATOM 410 CD LYS A 28 -9.599 16.643 1.010 1.00 0.00 C ATOM 411 CE LYS A 28 -9.310 17.814 1.924 1.00 0.00 C ATOM 412 NZ LYS A 28 -10.521 18.609 2.199 1.00 0.00 N ATOM 0 H LYS A 28 -5.604 14.902 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.976 13.531 0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.036 15.027 -1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.387 14.029 0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.942 15.485 1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.595 16.483 0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.007 17.006 0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.358 16.004 1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.895 17.448 2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.553 18.452 1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.281 19.401 2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.903 18.980 1.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.235 18.007 2.657 1.00 0.00 H new ATOM 426 N THR A 29 -6.714 11.812 -1.474 1.00 0.00 N ATOM 427 CA THR A 29 -6.865 10.566 -2.137 1.00 0.00 C ATOM 428 C THR A 29 -6.714 9.465 -1.102 1.00 0.00 C ATOM 429 O THR A 29 -5.923 9.584 -0.159 1.00 0.00 O ATOM 430 CB THR A 29 -5.782 10.404 -3.191 1.00 0.00 C ATOM 431 OG1 THR A 29 -5.696 11.615 -3.959 1.00 0.00 O ATOM 432 CG2 THR A 29 -6.106 9.250 -4.137 1.00 0.00 C ATOM 0 H THR A 29 -5.748 12.060 -1.260 1.00 0.00 H new ATOM 0 HA THR A 29 -7.841 10.517 -2.621 1.00 0.00 H new ATOM 0 HB THR A 29 -4.838 10.193 -2.688 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.998 11.521 -4.641 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.315 9.156 -4.881 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.181 8.323 -3.568 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.054 9.446 -4.638 1.00 0.00 H new ATOM 440 N LEU A 30 -7.464 8.434 -1.255 1.00 0.00 N ATOM 441 CA LEU A 30 -7.401 7.316 -0.347 1.00 0.00 C ATOM 442 C LEU A 30 -6.227 6.468 -0.827 1.00 0.00 C ATOM 443 O LEU A 30 -6.171 6.099 -1.998 1.00 0.00 O ATOM 444 CB LEU A 30 -8.753 6.536 -0.376 1.00 0.00 C ATOM 445 CG LEU A 30 -9.023 5.440 0.705 1.00 0.00 C ATOM 446 CD1 LEU A 30 -10.444 4.921 0.572 1.00 0.00 C ATOM 447 CD2 LEU A 30 -8.058 4.268 0.610 1.00 0.00 C ATOM 0 H LEU A 30 -8.143 8.329 -2.009 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.250 7.617 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.557 7.269 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.837 6.061 -1.353 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.875 5.914 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.625 4.158 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.146 5.743 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.582 4.489 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.294 3.539 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.151 3.799 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.037 4.625 0.746 1.00 0.00 H new ATOM 459 N VAL A 31 -5.291 6.201 0.039 1.00 0.00 N ATOM 460 CA VAL A 31 -4.082 5.538 -0.359 1.00 0.00 C ATOM 461 C VAL A 31 -3.773 4.294 0.502 1.00 0.00 C ATOM 462 O VAL A 31 -4.021 4.277 1.705 1.00 0.00 O ATOM 463 CB VAL A 31 -2.896 6.556 -0.369 1.00 0.00 C ATOM 464 CG1 VAL A 31 -2.693 7.202 0.983 1.00 0.00 C ATOM 465 CG2 VAL A 31 -1.616 5.931 -0.856 1.00 0.00 C ATOM 0 H VAL A 31 -5.343 6.434 1.031 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.224 5.162 -1.372 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.172 7.339 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.859 7.902 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.598 7.737 1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.475 6.433 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.820 6.676 -0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.345 5.101 -0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.755 5.563 -1.872 1.00 0.00 H new ATOM 475 N VAL A 32 -3.276 3.261 -0.135 1.00 0.00 N ATOM 476 CA VAL A 32 -2.874 2.042 0.534 1.00 0.00 C ATOM 477 C VAL A 32 -1.418 1.754 0.203 1.00 0.00 C ATOM 478 O VAL A 32 -1.028 1.741 -0.970 1.00 0.00 O ATOM 479 CB VAL A 32 -3.751 0.839 0.123 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.298 -0.445 0.819 1.00 0.00 C ATOM 481 CG2 VAL A 32 -5.218 1.109 0.416 1.00 0.00 C ATOM 0 H VAL A 32 -3.137 3.241 -1.145 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.001 2.185 1.607 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.632 0.702 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.936 -1.272 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.265 -0.661 0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.370 -0.318 1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.813 0.246 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.349 1.288 1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.545 1.986 -0.142 1.00 0.00 H new ATOM 491 N VAL A 33 -0.618 1.548 1.211 1.00 0.00 N ATOM 492 CA VAL A 33 0.793 1.310 1.016 1.00 0.00 C ATOM 493 C VAL A 33 1.169 -0.110 1.413 1.00 0.00 C ATOM 494 O VAL A 33 0.780 -0.587 2.485 1.00 0.00 O ATOM 495 CB VAL A 33 1.662 2.305 1.832 1.00 0.00 C ATOM 496 CG1 VAL A 33 3.142 2.060 1.575 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.291 3.748 1.507 1.00 0.00 C ATOM 0 H VAL A 33 -0.918 1.539 2.186 1.00 0.00 H new ATOM 0 HA VAL A 33 0.989 1.457 -0.046 1.00 0.00 H new ATOM 0 HB VAL A 33 1.464 2.136 2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.734 2.767 2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.399 1.043 1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.354 2.194 0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.914 4.424 2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.451 3.934 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.242 3.918 1.752 1.00 0.00 H new ATOM 507 N ASP A 34 1.899 -0.764 0.546 1.00 0.00 N ATOM 508 CA ASP A 34 2.436 -2.092 0.782 1.00 0.00 C ATOM 509 C ASP A 34 3.910 -2.011 1.129 1.00 0.00 C ATOM 510 O ASP A 34 4.749 -1.664 0.280 1.00 0.00 O ATOM 511 CB ASP A 34 2.232 -2.982 -0.457 1.00 0.00 C ATOM 512 CG ASP A 34 2.988 -4.305 -0.390 1.00 0.00 C ATOM 513 OD1 ASP A 34 2.650 -5.156 0.432 1.00 0.00 O ATOM 514 OD2 ASP A 34 3.944 -4.484 -1.187 1.00 0.00 O ATOM 0 H ASP A 34 2.146 -0.384 -0.368 1.00 0.00 H new ATOM 0 HA ASP A 34 1.902 -2.535 1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.168 -3.187 -0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.552 -2.435 -1.344 1.00 0.00 H new ATOM 519 N PHE A 35 4.223 -2.259 2.375 1.00 0.00 N ATOM 520 CA PHE A 35 5.575 -2.326 2.809 1.00 0.00 C ATOM 521 C PHE A 35 5.981 -3.772 2.713 1.00 0.00 C ATOM 522 O PHE A 35 5.435 -4.616 3.419 1.00 0.00 O ATOM 523 CB PHE A 35 5.688 -1.863 4.256 1.00 0.00 C ATOM 524 CG PHE A 35 5.273 -0.440 4.518 1.00 0.00 C ATOM 525 CD1 PHE A 35 6.179 0.599 4.367 1.00 0.00 C ATOM 526 CD2 PHE A 35 3.983 -0.142 4.936 1.00 0.00 C ATOM 527 CE1 PHE A 35 5.806 1.904 4.623 1.00 0.00 C ATOM 528 CE2 PHE A 35 3.606 1.159 5.197 1.00 0.00 C ATOM 529 CZ PHE A 35 4.519 2.184 5.041 1.00 0.00 C ATOM 0 H PHE A 35 3.537 -2.419 3.112 1.00 0.00 H new ATOM 0 HA PHE A 35 6.212 -1.686 2.199 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.080 -2.520 4.877 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.722 -1.986 4.578 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.188 0.385 4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.265 -0.939 5.058 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.520 2.705 4.497 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.599 1.376 5.523 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.227 3.203 5.246 1.00 0.00 H new ATOM 539 N THR A 36 6.933 -4.062 1.900 1.00 0.00 N ATOM 540 CA THR A 36 7.253 -5.424 1.618 1.00 0.00 C ATOM 541 C THR A 36 8.760 -5.607 1.516 1.00 0.00 C ATOM 542 O THR A 36 9.520 -4.649 1.634 1.00 0.00 O ATOM 543 CB THR A 36 6.567 -5.839 0.274 1.00 0.00 C ATOM 544 OG1 THR A 36 6.744 -7.238 -0.005 1.00 0.00 O ATOM 545 CG2 THR A 36 7.130 -5.030 -0.888 1.00 0.00 C ATOM 0 H THR A 36 7.509 -3.375 1.414 1.00 0.00 H new ATOM 0 HA THR A 36 6.888 -6.056 2.428 1.00 0.00 H new ATOM 0 HB THR A 36 5.502 -5.636 0.386 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.173 -7.496 -0.759 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.640 -5.333 -1.813 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.951 -3.969 -0.713 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.202 -5.208 -0.970 1.00 0.00 H new ATOM 553 N ALA A 37 9.174 -6.824 1.319 1.00 0.00 N ATOM 554 CA ALA A 37 10.544 -7.154 1.114 1.00 0.00 C ATOM 555 C ALA A 37 10.609 -8.092 -0.063 1.00 0.00 C ATOM 556 O ALA A 37 9.864 -9.072 -0.127 1.00 0.00 O ATOM 557 CB ALA A 37 11.149 -7.787 2.356 1.00 0.00 C ATOM 0 H ALA A 37 8.550 -7.630 1.297 1.00 0.00 H new ATOM 0 HA ALA A 37 11.125 -6.254 0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.195 -8.028 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.081 -7.089 3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.605 -8.699 2.601 1.00 0.00 H new ATOM 563 N SER A 38 11.471 -7.791 -0.989 1.00 0.00 N ATOM 564 CA SER A 38 11.618 -8.550 -2.229 1.00 0.00 C ATOM 565 C SER A 38 11.937 -10.042 -1.979 1.00 0.00 C ATOM 566 O SER A 38 11.658 -10.891 -2.818 1.00 0.00 O ATOM 567 CB SER A 38 12.724 -7.920 -3.066 1.00 0.00 C ATOM 568 OG SER A 38 12.501 -6.516 -3.242 1.00 0.00 O ATOM 0 H SER A 38 12.110 -7.000 -0.917 1.00 0.00 H new ATOM 0 HA SER A 38 10.665 -8.513 -2.757 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.687 -8.081 -2.582 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.771 -8.409 -4.039 1.00 0.00 H new ATOM 0 HG SER A 38 12.780 -6.037 -2.434 1.00 0.00 H new ATOM 574 N TRP A 39 12.493 -10.342 -0.819 1.00 0.00 N ATOM 575 CA TRP A 39 12.904 -11.691 -0.489 1.00 0.00 C ATOM 576 C TRP A 39 11.883 -12.492 0.342 1.00 0.00 C ATOM 577 O TRP A 39 12.113 -13.666 0.616 1.00 0.00 O ATOM 578 CB TRP A 39 14.301 -11.697 0.171 1.00 0.00 C ATOM 579 CG TRP A 39 14.469 -10.716 1.298 1.00 0.00 C ATOM 580 CD1 TRP A 39 15.168 -9.559 1.239 1.00 0.00 C ATOM 581 CD2 TRP A 39 13.932 -10.788 2.634 1.00 0.00 C ATOM 582 NE1 TRP A 39 15.114 -8.907 2.440 1.00 0.00 N ATOM 583 CE2 TRP A 39 14.361 -9.634 3.312 1.00 0.00 C ATOM 584 CE3 TRP A 39 13.134 -11.707 3.318 1.00 0.00 C ATOM 585 CZ2 TRP A 39 14.022 -9.377 4.636 1.00 0.00 C ATOM 586 CZ3 TRP A 39 12.799 -11.450 4.630 1.00 0.00 C ATOM 587 CH2 TRP A 39 13.240 -10.293 5.275 1.00 0.00 C ATOM 0 H TRP A 39 12.671 -9.659 -0.083 1.00 0.00 H new ATOM 0 HA TRP A 39 12.958 -12.217 -1.442 1.00 0.00 H new ATOM 0 HB2 TRP A 39 14.506 -12.699 0.547 1.00 0.00 H new ATOM 0 HB3 TRP A 39 15.049 -11.484 -0.592 1.00 0.00 H new ATOM 0 HD1 TRP A 39 15.694 -9.201 0.367 1.00 0.00 H new ATOM 0 HE1 TRP A 39 15.566 -8.017 2.650 1.00 0.00 H new ATOM 0 HE3 TRP A 39 12.785 -12.604 2.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 14.365 -8.485 5.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 12.184 -12.156 5.169 1.00 0.00 H new ATOM 0 HH2 TRP A 39 12.956 -10.120 6.302 1.00 0.00 H new ATOM 598 N CYS A 40 10.771 -11.897 0.735 1.00 0.00 N ATOM 599 CA CYS A 40 9.808 -12.648 1.545 1.00 0.00 C ATOM 600 C CYS A 40 8.708 -13.324 0.716 1.00 0.00 C ATOM 601 O CYS A 40 8.041 -12.688 -0.109 1.00 0.00 O ATOM 602 CB CYS A 40 9.281 -11.852 2.768 1.00 0.00 C ATOM 603 SG CYS A 40 8.652 -10.173 2.423 1.00 0.00 S ATOM 0 H CYS A 40 10.511 -10.934 0.521 1.00 0.00 H new ATOM 0 HA CYS A 40 10.373 -13.475 1.976 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.482 -12.429 3.234 1.00 0.00 H new ATOM 0 HB3 CYS A 40 10.086 -11.773 3.499 1.00 0.00 H new ATOM 608 N GLY A 41 8.541 -14.628 0.959 1.00 0.00 N ATOM 609 CA GLY A 41 7.606 -15.480 0.218 1.00 0.00 C ATOM 610 C GLY A 41 6.160 -14.996 0.229 1.00 0.00 C ATOM 611 O GLY A 41 5.611 -14.702 -0.834 1.00 0.00 O ATOM 0 H GLY A 41 9.057 -15.127 1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.943 -15.553 -0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.642 -16.486 0.637 1.00 0.00 H new ATOM 615 N PRO A 42 5.502 -14.895 1.419 1.00 0.00 N ATOM 616 CA PRO A 42 4.111 -14.418 1.527 1.00 0.00 C ATOM 617 C PRO A 42 3.916 -13.057 0.854 1.00 0.00 C ATOM 618 O PRO A 42 2.858 -12.765 0.318 1.00 0.00 O ATOM 619 CB PRO A 42 3.876 -14.303 3.046 1.00 0.00 C ATOM 620 CG PRO A 42 5.232 -14.417 3.666 1.00 0.00 C ATOM 621 CD PRO A 42 6.035 -15.270 2.735 1.00 0.00 C ATOM 0 HA PRO A 42 3.413 -15.092 1.030 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.406 -13.353 3.300 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.213 -15.092 3.402 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.689 -13.435 3.790 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.173 -14.868 4.657 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.102 -15.063 2.814 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.900 -16.332 2.940 1.00 0.00 H new ATOM 629 N CYS A 43 4.963 -12.260 0.862 1.00 0.00 N ATOM 630 CA CYS A 43 4.944 -10.927 0.287 1.00 0.00 C ATOM 631 C CYS A 43 4.907 -11.027 -1.237 1.00 0.00 C ATOM 632 O CYS A 43 4.229 -10.264 -1.920 1.00 0.00 O ATOM 633 CB CYS A 43 6.214 -10.213 0.682 1.00 0.00 C ATOM 634 SG CYS A 43 6.641 -10.346 2.437 1.00 0.00 S ATOM 0 H CYS A 43 5.861 -12.519 1.271 1.00 0.00 H new ATOM 0 HA CYS A 43 4.067 -10.388 0.646 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.038 -10.611 0.090 1.00 0.00 H new ATOM 0 HB3 CYS A 43 6.117 -9.158 0.424 1.00 0.00 H new ATOM 639 N ARG A 44 5.639 -11.973 -1.746 1.00 0.00 N ATOM 640 CA ARG A 44 5.739 -12.212 -3.161 1.00 0.00 C ATOM 641 C ARG A 44 4.449 -12.845 -3.669 1.00 0.00 C ATOM 642 O ARG A 44 3.972 -12.531 -4.756 1.00 0.00 O ATOM 643 CB ARG A 44 6.929 -13.128 -3.398 1.00 0.00 C ATOM 644 CG ARG A 44 7.230 -13.460 -4.840 1.00 0.00 C ATOM 645 CD ARG A 44 8.481 -14.307 -4.911 1.00 0.00 C ATOM 646 NE ARG A 44 9.636 -13.618 -4.300 1.00 0.00 N ATOM 647 CZ ARG A 44 10.733 -14.234 -3.816 1.00 0.00 C ATOM 648 NH1 ARG A 44 10.820 -15.552 -3.830 1.00 0.00 N ATOM 649 NH2 ARG A 44 11.727 -13.525 -3.304 1.00 0.00 N ATOM 0 H ARG A 44 6.195 -12.614 -1.181 1.00 0.00 H new ATOM 0 HA ARG A 44 5.885 -11.278 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.813 -12.664 -2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.758 -14.060 -2.859 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.390 -13.994 -5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.365 -12.544 -5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.310 -15.255 -4.401 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.705 -14.541 -5.952 1.00 0.00 H new ATOM 0 HE ARG A 44 9.601 -12.600 -4.240 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.054 -16.110 -4.209 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.653 -16.012 -3.462 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.665 -12.507 -3.274 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.555 -13.996 -2.939 1.00 0.00 H new ATOM 663 N PHE A 45 3.881 -13.706 -2.852 1.00 0.00 N ATOM 664 CA PHE A 45 2.647 -14.402 -3.175 1.00 0.00 C ATOM 665 C PHE A 45 1.450 -13.435 -3.170 1.00 0.00 C ATOM 666 O PHE A 45 0.499 -13.594 -3.945 1.00 0.00 O ATOM 667 CB PHE A 45 2.427 -15.549 -2.164 1.00 0.00 C ATOM 668 CG PHE A 45 1.199 -16.388 -2.415 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.240 -17.448 -3.305 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.010 -16.119 -1.755 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.120 -18.222 -3.533 1.00 0.00 C ATOM 672 CE2 PHE A 45 -1.113 -16.889 -1.981 1.00 0.00 C ATOM 673 CZ PHE A 45 -1.057 -17.944 -2.870 1.00 0.00 C ATOM 0 H PHE A 45 4.263 -13.947 -1.937 1.00 0.00 H new ATOM 0 HA PHE A 45 2.728 -14.818 -4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.302 -16.199 -2.177 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.361 -15.124 -1.163 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.159 -17.672 -3.827 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.038 -15.297 -1.056 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.165 -19.045 -4.231 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.034 -16.667 -1.463 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.933 -18.550 -3.046 1.00 0.00 H new ATOM 683 N ILE A 46 1.514 -12.422 -2.318 1.00 0.00 N ATOM 684 CA ILE A 46 0.408 -11.482 -2.181 1.00 0.00 C ATOM 685 C ILE A 46 0.546 -10.328 -3.208 1.00 0.00 C ATOM 686 O ILE A 46 -0.388 -9.558 -3.427 1.00 0.00 O ATOM 687 CB ILE A 46 0.343 -10.906 -0.719 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.992 -10.218 -0.434 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.488 -9.943 -0.448 1.00 0.00 C ATOM 690 CD1 ILE A 46 -2.161 -11.164 -0.429 1.00 0.00 C ATOM 0 H ILE A 46 2.313 -12.230 -1.715 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.520 -12.018 -2.381 1.00 0.00 H new ATOM 0 HB ILE A 46 0.437 -11.759 -0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.935 -9.717 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.162 -9.446 -1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.412 -9.564 0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.438 -10.463 -0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.437 -9.110 -1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.076 -10.610 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.243 -11.647 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.012 -11.922 0.340 1.00 0.00 H new ATOM 702 N ALA A 47 1.708 -10.247 -3.852 1.00 0.00 N ATOM 703 CA ALA A 47 1.992 -9.186 -4.828 1.00 0.00 C ATOM 704 C ALA A 47 0.981 -9.139 -6.004 1.00 0.00 C ATOM 705 O ALA A 47 0.429 -8.074 -6.287 1.00 0.00 O ATOM 706 CB ALA A 47 3.434 -9.249 -5.324 1.00 0.00 C ATOM 0 H ALA A 47 2.475 -10.905 -3.717 1.00 0.00 H new ATOM 0 HA ALA A 47 1.864 -8.246 -4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.606 -8.449 -6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.114 -9.131 -4.481 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.613 -10.212 -5.802 1.00 0.00 H new ATOM 712 N PRO A 48 0.692 -10.286 -6.705 1.00 0.00 N ATOM 713 CA PRO A 48 -0.282 -10.299 -7.814 1.00 0.00 C ATOM 714 C PRO A 48 -1.693 -9.980 -7.325 1.00 0.00 C ATOM 715 O PRO A 48 -2.569 -9.572 -8.094 1.00 0.00 O ATOM 716 CB PRO A 48 -0.229 -11.745 -8.316 1.00 0.00 C ATOM 717 CG PRO A 48 1.077 -12.260 -7.845 1.00 0.00 C ATOM 718 CD PRO A 48 1.284 -11.630 -6.514 1.00 0.00 C ATOM 0 HA PRO A 48 -0.047 -9.555 -8.575 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.054 -12.334 -7.915 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -0.304 -11.790 -9.403 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.068 -13.347 -7.769 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.878 -11.995 -8.536 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.785 -12.185 -5.720 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.340 -11.575 -6.250 1.00 0.00 H new ATOM 726 N PHE A 49 -1.900 -10.168 -6.047 1.00 0.00 N ATOM 727 CA PHE A 49 -3.179 -9.914 -5.440 1.00 0.00 C ATOM 728 C PHE A 49 -3.321 -8.411 -5.195 1.00 0.00 C ATOM 729 O PHE A 49 -4.334 -7.821 -5.510 1.00 0.00 O ATOM 730 CB PHE A 49 -3.300 -10.693 -4.125 1.00 0.00 C ATOM 731 CG PHE A 49 -4.693 -10.759 -3.568 1.00 0.00 C ATOM 732 CD1 PHE A 49 -5.550 -11.742 -4.005 1.00 0.00 C ATOM 733 CD2 PHE A 49 -5.144 -9.860 -2.609 1.00 0.00 C ATOM 734 CE1 PHE A 49 -6.827 -11.841 -3.515 1.00 0.00 C ATOM 735 CE2 PHE A 49 -6.428 -9.959 -2.113 1.00 0.00 C ATOM 736 CZ PHE A 49 -7.264 -10.953 -2.570 1.00 0.00 C ATOM 0 H PHE A 49 -1.186 -10.501 -5.399 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.978 -10.246 -6.103 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.937 -11.708 -4.284 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.647 -10.233 -3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.211 -12.449 -4.748 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.487 -9.081 -2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.486 -12.618 -3.874 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.776 -9.259 -1.368 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.268 -11.032 -2.181 1.00 0.00 H new ATOM 746 N PHE A 50 -2.275 -7.802 -4.661 1.00 0.00 N ATOM 747 CA PHE A 50 -2.255 -6.359 -4.397 1.00 0.00 C ATOM 748 C PHE A 50 -2.351 -5.582 -5.720 1.00 0.00 C ATOM 749 O PHE A 50 -2.970 -4.517 -5.790 1.00 0.00 O ATOM 750 CB PHE A 50 -0.974 -5.999 -3.620 1.00 0.00 C ATOM 751 CG PHE A 50 -0.881 -4.566 -3.165 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.559 -4.146 -2.033 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.112 -3.648 -3.856 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.474 -2.840 -1.600 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.021 -2.338 -3.425 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.703 -1.934 -2.297 1.00 0.00 C ATOM 0 H PHE A 50 -1.416 -8.285 -4.397 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.114 -6.081 -3.787 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.905 -6.646 -2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.112 -6.220 -4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.163 -4.852 -1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.423 -3.958 -4.742 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.010 -2.527 -0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.585 -1.631 -3.972 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.634 -0.910 -1.960 1.00 0.00 H new ATOM 766 N ALA A 51 -1.760 -6.141 -6.767 1.00 0.00 N ATOM 767 CA ALA A 51 -1.841 -5.554 -8.103 1.00 0.00 C ATOM 768 C ALA A 51 -3.284 -5.626 -8.627 1.00 0.00 C ATOM 769 O ALA A 51 -3.738 -4.750 -9.366 1.00 0.00 O ATOM 770 CB ALA A 51 -0.891 -6.267 -9.055 1.00 0.00 C ATOM 0 H ALA A 51 -1.217 -7.003 -6.719 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.545 -4.507 -8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.964 -5.818 -10.046 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.131 -6.173 -8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.159 -7.322 -9.114 1.00 0.00 H new ATOM 776 N ASP A 52 -3.996 -6.667 -8.211 1.00 0.00 N ATOM 777 CA ASP A 52 -5.403 -6.878 -8.582 1.00 0.00 C ATOM 778 C ASP A 52 -6.235 -5.791 -7.959 1.00 0.00 C ATOM 779 O ASP A 52 -7.079 -5.184 -8.601 1.00 0.00 O ATOM 780 CB ASP A 52 -5.874 -8.236 -8.072 1.00 0.00 C ATOM 781 CG ASP A 52 -7.282 -8.590 -8.485 1.00 0.00 C ATOM 782 OD1 ASP A 52 -7.460 -9.181 -9.578 1.00 0.00 O ATOM 783 OD2 ASP A 52 -8.232 -8.306 -7.724 1.00 0.00 O ATOM 0 H ASP A 52 -3.618 -7.395 -7.604 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.506 -6.852 -9.667 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.194 -9.006 -8.437 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.812 -8.246 -6.984 1.00 0.00 H new ATOM 788 N LEU A 53 -5.982 -5.569 -6.694 1.00 0.00 N ATOM 789 CA LEU A 53 -6.554 -4.490 -5.943 1.00 0.00 C ATOM 790 C LEU A 53 -6.313 -3.153 -6.620 1.00 0.00 C ATOM 791 O LEU A 53 -7.232 -2.360 -6.760 1.00 0.00 O ATOM 792 CB LEU A 53 -5.969 -4.487 -4.534 1.00 0.00 C ATOM 793 CG LEU A 53 -6.620 -5.373 -3.477 1.00 0.00 C ATOM 794 CD1 LEU A 53 -6.644 -6.834 -3.869 1.00 0.00 C ATOM 795 CD2 LEU A 53 -5.929 -5.177 -2.136 1.00 0.00 C ATOM 0 H LEU A 53 -5.352 -6.155 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.632 -4.639 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.921 -4.775 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.992 -3.461 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.662 -5.065 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.119 -7.415 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.207 -6.953 -4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.624 -7.188 -4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.400 -5.814 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.876 -5.443 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.015 -4.134 -1.831 1.00 0.00 H new ATOM 807 N ALA A 54 -5.093 -2.925 -7.049 1.00 0.00 N ATOM 808 CA ALA A 54 -4.734 -1.690 -7.718 1.00 0.00 C ATOM 809 C ALA A 54 -5.484 -1.519 -9.032 1.00 0.00 C ATOM 810 O ALA A 54 -5.784 -0.403 -9.444 1.00 0.00 O ATOM 811 CB ALA A 54 -3.235 -1.620 -7.943 1.00 0.00 C ATOM 0 H ALA A 54 -4.323 -3.585 -6.946 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.028 -0.867 -7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.986 -0.686 -8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.721 -1.663 -6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.920 -2.460 -8.562 1.00 0.00 H new ATOM 817 N LYS A 55 -5.763 -2.617 -9.699 1.00 0.00 N ATOM 818 CA LYS A 55 -6.470 -2.564 -10.953 1.00 0.00 C ATOM 819 C LYS A 55 -7.971 -2.405 -10.741 1.00 0.00 C ATOM 820 O LYS A 55 -8.649 -1.737 -11.522 1.00 0.00 O ATOM 821 CB LYS A 55 -6.163 -3.800 -11.802 1.00 0.00 C ATOM 822 CG LYS A 55 -6.777 -3.776 -13.192 1.00 0.00 C ATOM 823 CD LYS A 55 -6.384 -5.005 -13.975 1.00 0.00 C ATOM 824 CE LYS A 55 -6.970 -4.999 -15.372 1.00 0.00 C ATOM 825 NZ LYS A 55 -6.590 -6.214 -16.135 1.00 0.00 N ATOM 0 H LYS A 55 -5.510 -3.556 -9.391 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.121 -1.684 -11.494 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.082 -3.901 -11.897 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.520 -4.685 -11.276 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.863 -3.722 -13.114 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.451 -2.882 -13.723 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.297 -5.063 -14.038 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.720 -5.896 -13.445 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.056 -4.934 -15.310 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.627 -4.113 -15.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.010 -6.173 -17.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.554 -6.263 -16.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.939 -7.059 -15.639 1.00 0.00 H new ATOM 839 N LYS A 56 -8.478 -2.989 -9.679 1.00 0.00 N ATOM 840 CA LYS A 56 -9.906 -2.987 -9.432 1.00 0.00 C ATOM 841 C LYS A 56 -10.295 -1.654 -8.759 1.00 0.00 C ATOM 842 O LYS A 56 -11.347 -1.088 -9.042 1.00 0.00 O ATOM 843 CB LYS A 56 -10.252 -4.190 -8.528 1.00 0.00 C ATOM 844 CG LYS A 56 -11.640 -4.895 -8.704 1.00 0.00 C ATOM 845 CD LYS A 56 -12.897 -4.031 -8.488 1.00 0.00 C ATOM 846 CE LYS A 56 -13.251 -3.170 -9.698 1.00 0.00 C ATOM 847 NZ LYS A 56 -13.513 -3.972 -10.905 1.00 0.00 N ATOM 0 H LYS A 56 -7.925 -3.472 -8.971 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.464 -3.078 -10.364 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.479 -4.944 -8.673 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.181 -3.856 -7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.684 -5.310 -9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.683 -5.735 -8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.740 -4.680 -8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.742 -3.385 -7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.131 -2.569 -9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.434 -2.476 -9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.077 -3.414 -11.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.610 -4.238 -11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.037 -4.832 -10.644 1.00 0.00 H new ATOM 861 N LEU A 57 -9.440 -1.155 -7.886 1.00 0.00 N ATOM 862 CA LEU A 57 -9.699 0.080 -7.187 1.00 0.00 C ATOM 863 C LEU A 57 -8.915 1.236 -7.815 1.00 0.00 C ATOM 864 O LEU A 57 -7.722 1.399 -7.562 1.00 0.00 O ATOM 865 CB LEU A 57 -9.365 -0.038 -5.676 1.00 0.00 C ATOM 866 CG LEU A 57 -10.272 -0.936 -4.778 1.00 0.00 C ATOM 867 CD1 LEU A 57 -10.257 -2.397 -5.188 1.00 0.00 C ATOM 868 CD2 LEU A 57 -9.876 -0.801 -3.319 1.00 0.00 C ATOM 0 H LEU A 57 -8.552 -1.595 -7.645 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.765 0.288 -7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.344 -0.409 -5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.375 0.968 -5.255 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.292 -0.579 -4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.907 -2.968 -4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.613 -2.491 -6.214 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.240 -2.784 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.519 -1.434 -2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.838 -1.109 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.986 0.237 -3.007 1.00 0.00 H new ATOM 880 N PRO A 58 -9.568 2.046 -8.668 1.00 0.00 N ATOM 881 CA PRO A 58 -8.923 3.174 -9.313 1.00 0.00 C ATOM 882 C PRO A 58 -9.016 4.437 -8.450 1.00 0.00 C ATOM 883 O PRO A 58 -8.272 5.400 -8.644 1.00 0.00 O ATOM 884 CB PRO A 58 -9.737 3.334 -10.594 1.00 0.00 C ATOM 885 CG PRO A 58 -11.119 2.887 -10.239 1.00 0.00 C ATOM 886 CD PRO A 58 -10.985 1.911 -9.090 1.00 0.00 C ATOM 0 HA PRO A 58 -7.858 3.019 -9.486 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.734 4.369 -10.936 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.323 2.730 -11.402 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.738 3.737 -9.953 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.603 2.413 -11.093 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.669 2.155 -8.277 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.213 0.892 -9.403 1.00 0.00 H new ATOM 894 N ASN A 59 -9.922 4.406 -7.487 1.00 0.00 N ATOM 895 CA ASN A 59 -10.163 5.525 -6.590 1.00 0.00 C ATOM 896 C ASN A 59 -9.103 5.538 -5.498 1.00 0.00 C ATOM 897 O ASN A 59 -8.814 6.573 -4.889 1.00 0.00 O ATOM 898 CB ASN A 59 -11.552 5.382 -5.966 1.00 0.00 C ATOM 899 CG ASN A 59 -11.970 6.562 -5.104 1.00 0.00 C ATOM 900 OD1 ASN A 59 -11.586 7.703 -5.352 1.00 0.00 O ATOM 901 ND2 ASN A 59 -12.741 6.296 -4.091 1.00 0.00 N ATOM 0 H ASN A 59 -10.516 3.597 -7.304 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.113 6.461 -7.147 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.284 5.250 -6.762 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.574 4.477 -5.359 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.047 7.047 -3.472 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.040 5.337 -3.916 1.00 0.00 H new ATOM 908 N VAL A 60 -8.519 4.388 -5.276 1.00 0.00 N ATOM 909 CA VAL A 60 -7.509 4.211 -4.268 1.00 0.00 C ATOM 910 C VAL A 60 -6.131 4.221 -4.910 1.00 0.00 C ATOM 911 O VAL A 60 -5.928 3.625 -5.958 1.00 0.00 O ATOM 912 CB VAL A 60 -7.727 2.896 -3.479 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.663 2.712 -2.412 1.00 0.00 C ATOM 914 CG2 VAL A 60 -9.113 2.876 -2.856 1.00 0.00 C ATOM 0 H VAL A 60 -8.735 3.539 -5.798 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.582 5.038 -3.562 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.645 2.066 -4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.843 1.780 -1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.680 2.676 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.701 3.547 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.251 1.946 -2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.218 3.720 -2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.866 2.948 -3.641 1.00 0.00 H new ATOM 924 N LEU A 61 -5.225 4.934 -4.309 1.00 0.00 N ATOM 925 CA LEU A 61 -3.868 5.047 -4.795 1.00 0.00 C ATOM 926 C LEU A 61 -3.032 4.017 -4.014 1.00 0.00 C ATOM 927 O LEU A 61 -3.206 3.875 -2.809 1.00 0.00 O ATOM 928 CB LEU A 61 -3.391 6.495 -4.521 1.00 0.00 C ATOM 929 CG LEU A 61 -2.156 7.043 -5.280 1.00 0.00 C ATOM 930 CD1 LEU A 61 -1.904 8.472 -4.871 1.00 0.00 C ATOM 931 CD2 LEU A 61 -0.910 6.225 -5.049 1.00 0.00 C ATOM 0 H LEU A 61 -5.403 5.463 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.776 4.851 -5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.228 7.161 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.182 6.575 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.385 6.983 -6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.035 8.856 -5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.776 9.079 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.718 8.516 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.081 6.660 -5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.669 6.221 -3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.078 5.202 -5.387 1.00 0.00 H new ATOM 943 N PHE A 62 -2.166 3.290 -4.682 1.00 0.00 N ATOM 944 CA PHE A 62 -1.372 2.268 -4.012 1.00 0.00 C ATOM 945 C PHE A 62 0.122 2.513 -4.188 1.00 0.00 C ATOM 946 O PHE A 62 0.571 2.965 -5.246 1.00 0.00 O ATOM 947 CB PHE A 62 -1.708 0.875 -4.540 1.00 0.00 C ATOM 948 CG PHE A 62 -3.155 0.459 -4.391 1.00 0.00 C ATOM 949 CD1 PHE A 62 -4.104 0.820 -5.335 1.00 0.00 C ATOM 950 CD2 PHE A 62 -3.559 -0.297 -3.307 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.424 0.431 -5.195 1.00 0.00 C ATOM 952 CE2 PHE A 62 -4.875 -0.688 -3.164 1.00 0.00 C ATOM 953 CZ PHE A 62 -5.808 -0.323 -4.107 1.00 0.00 C ATOM 0 H PHE A 62 -1.989 3.381 -5.682 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.620 2.326 -2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.441 0.831 -5.596 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.083 0.148 -4.022 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.809 1.412 -6.189 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.834 -0.586 -2.560 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.153 0.718 -5.938 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.172 -1.281 -2.312 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.838 -0.626 -3.995 1.00 0.00 H new ATOM 963 N LEU A 63 0.876 2.219 -3.151 1.00 0.00 N ATOM 964 CA LEU A 63 2.327 2.321 -3.162 1.00 0.00 C ATOM 965 C LEU A 63 2.949 1.021 -2.712 1.00 0.00 C ATOM 966 O LEU A 63 2.345 0.270 -1.957 1.00 0.00 O ATOM 967 CB LEU A 63 2.888 3.463 -2.279 1.00 0.00 C ATOM 968 CG LEU A 63 2.655 4.916 -2.717 1.00 0.00 C ATOM 969 CD1 LEU A 63 1.229 5.331 -2.546 1.00 0.00 C ATOM 970 CD2 LEU A 63 3.582 5.865 -1.983 1.00 0.00 C ATOM 0 H LEU A 63 0.496 1.897 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 63 2.590 2.550 -4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.466 3.347 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.964 3.313 -2.189 1.00 0.00 H new ATOM 0 HG LEU A 63 2.885 4.968 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.110 6.366 -2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.588 4.687 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.948 5.243 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.394 6.886 -2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.402 5.792 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.617 5.600 -2.196 1.00 0.00 H new ATOM 982 N LYS A 64 4.145 0.773 -3.174 1.00 0.00 N ATOM 983 CA LYS A 64 4.881 -0.409 -2.844 1.00 0.00 C ATOM 984 C LYS A 64 6.280 -0.004 -2.448 1.00 0.00 C ATOM 985 O LYS A 64 6.975 0.685 -3.214 1.00 0.00 O ATOM 986 CB LYS A 64 4.942 -1.302 -4.046 1.00 0.00 C ATOM 987 CG LYS A 64 5.338 -2.659 -3.653 1.00 0.00 C ATOM 988 CD LYS A 64 5.367 -3.591 -4.795 1.00 0.00 C ATOM 989 CE LYS A 64 5.627 -4.947 -4.267 1.00 0.00 C ATOM 990 NZ LYS A 64 4.483 -5.482 -3.487 1.00 0.00 N ATOM 0 H LYS A 64 4.642 1.403 -3.804 1.00 0.00 H new ATOM 0 HA LYS A 64 4.398 -0.940 -2.024 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.970 -1.328 -4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.654 -0.903 -4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.324 -2.627 -3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.644 -3.033 -2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.419 -3.566 -5.332 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.143 -3.302 -5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.844 -5.621 -5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.514 -4.923 -3.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.538 -6.520 -3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.517 -5.106 -2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.591 -5.196 -3.938 1.00 0.00 H new ATOM 1004 N VAL A 65 6.690 -0.383 -1.262 1.00 0.00 N ATOM 1005 CA VAL A 65 7.992 0.001 -0.749 1.00 0.00 C ATOM 1006 C VAL A 65 8.744 -1.208 -0.205 1.00 0.00 C ATOM 1007 O VAL A 65 8.276 -1.879 0.724 1.00 0.00 O ATOM 1008 CB VAL A 65 7.866 1.064 0.392 1.00 0.00 C ATOM 1009 CG1 VAL A 65 9.237 1.493 0.903 1.00 0.00 C ATOM 1010 CG2 VAL A 65 7.071 2.277 -0.070 1.00 0.00 C ATOM 0 H VAL A 65 6.140 -0.961 -0.627 1.00 0.00 H new ATOM 0 HA VAL A 65 8.544 0.432 -1.584 1.00 0.00 H new ATOM 0 HB VAL A 65 7.327 0.594 1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.115 2.232 1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.767 0.625 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.810 1.929 0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.001 2.998 0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.573 2.738 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.069 1.965 -0.365 1.00 0.00 H new ATOM 1020 N ASP A 66 9.889 -1.493 -0.794 1.00 0.00 N ATOM 1021 CA ASP A 66 10.769 -2.540 -0.297 1.00 0.00 C ATOM 1022 C ASP A 66 11.510 -2.007 0.916 1.00 0.00 C ATOM 1023 O ASP A 66 12.368 -1.134 0.799 1.00 0.00 O ATOM 1024 CB ASP A 66 11.751 -2.995 -1.386 1.00 0.00 C ATOM 1025 CG ASP A 66 12.711 -4.106 -0.942 1.00 0.00 C ATOM 1026 OD1 ASP A 66 12.325 -5.288 -0.948 1.00 0.00 O ATOM 1027 OD2 ASP A 66 13.863 -3.817 -0.615 1.00 0.00 O ATOM 0 H ASP A 66 10.236 -1.012 -1.624 1.00 0.00 H new ATOM 0 HA ASP A 66 10.180 -3.412 -0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.183 -3.344 -2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.335 -2.136 -1.715 1.00 0.00 H new ATOM 1032 N THR A 67 11.148 -2.498 2.076 1.00 0.00 N ATOM 1033 CA THR A 67 11.701 -2.037 3.340 1.00 0.00 C ATOM 1034 C THR A 67 13.135 -2.503 3.538 1.00 0.00 C ATOM 1035 O THR A 67 13.853 -2.005 4.401 1.00 0.00 O ATOM 1036 CB THR A 67 10.824 -2.498 4.507 1.00 0.00 C ATOM 1037 OG1 THR A 67 10.626 -3.911 4.413 1.00 0.00 O ATOM 1038 CG2 THR A 67 9.481 -1.791 4.482 1.00 0.00 C ATOM 0 H THR A 67 10.453 -3.238 2.177 1.00 0.00 H new ATOM 0 HA THR A 67 11.713 -0.947 3.312 1.00 0.00 H new ATOM 0 HB THR A 67 11.324 -2.252 5.444 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.447 -4.276 5.305 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.874 -2.134 5.320 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.635 -0.715 4.561 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.969 -2.016 3.547 1.00 0.00 H new ATOM 1046 N ASP A 68 13.530 -3.465 2.749 1.00 0.00 N ATOM 1047 CA ASP A 68 14.890 -3.977 2.752 1.00 0.00 C ATOM 1048 C ASP A 68 15.792 -2.936 2.115 1.00 0.00 C ATOM 1049 O ASP A 68 16.959 -2.768 2.475 1.00 0.00 O ATOM 1050 CB ASP A 68 14.918 -5.266 1.957 1.00 0.00 C ATOM 1051 CG ASP A 68 16.277 -5.911 1.860 1.00 0.00 C ATOM 1052 OD1 ASP A 68 16.659 -6.650 2.781 1.00 0.00 O ATOM 1053 OD2 ASP A 68 16.960 -5.724 0.827 1.00 0.00 O ATOM 0 H ASP A 68 12.917 -3.926 2.076 1.00 0.00 H new ATOM 0 HA ASP A 68 15.236 -4.178 3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.225 -5.974 2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.552 -5.065 0.950 1.00 0.00 H new ATOM 1058 N GLU A 69 15.229 -2.254 1.160 1.00 0.00 N ATOM 1059 CA GLU A 69 15.867 -1.146 0.493 1.00 0.00 C ATOM 1060 C GLU A 69 15.763 0.063 1.398 1.00 0.00 C ATOM 1061 O GLU A 69 16.757 0.545 1.946 1.00 0.00 O ATOM 1062 CB GLU A 69 15.122 -0.837 -0.797 1.00 0.00 C ATOM 1063 CG GLU A 69 15.840 0.115 -1.736 1.00 0.00 C ATOM 1064 CD GLU A 69 17.086 -0.489 -2.322 1.00 0.00 C ATOM 1065 OE1 GLU A 69 18.164 -0.381 -1.714 1.00 0.00 O ATOM 1066 OE2 GLU A 69 17.003 -1.091 -3.418 1.00 0.00 O ATOM 0 H GLU A 69 14.291 -2.454 0.812 1.00 0.00 H new ATOM 0 HA GLU A 69 16.907 -1.388 0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.935 -1.772 -1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.150 -0.412 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.166 0.403 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.100 1.026 -1.197 1.00 0.00 H new ATOM 1073 N LEU A 70 14.542 0.519 1.575 1.00 0.00 N ATOM 1074 CA LEU A 70 14.244 1.644 2.381 1.00 0.00 C ATOM 1075 C LEU A 70 14.168 1.258 3.863 1.00 0.00 C ATOM 1076 O LEU A 70 13.076 1.136 4.440 1.00 0.00 O ATOM 1077 CB LEU A 70 12.925 2.305 1.937 1.00 0.00 C ATOM 1078 CG LEU A 70 12.852 3.024 0.561 1.00 0.00 C ATOM 1079 CD1 LEU A 70 13.916 4.092 0.429 1.00 0.00 C ATOM 1080 CD2 LEU A 70 12.891 2.061 -0.611 1.00 0.00 C ATOM 0 H LEU A 70 13.720 0.095 1.144 1.00 0.00 H new ATOM 0 HA LEU A 70 15.053 2.363 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.155 1.533 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.652 3.033 2.701 1.00 0.00 H new ATOM 0 HG LEU A 70 11.879 3.515 0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.832 4.571 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.782 4.838 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.902 3.637 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.837 2.621 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.820 1.491 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.044 1.377 -0.549 1.00 0.00 H new ATOM 1092 N LYS A 71 15.317 1.004 4.454 1.00 0.00 N ATOM 1093 CA LYS A 71 15.401 0.614 5.851 1.00 0.00 C ATOM 1094 C LYS A 71 15.053 1.749 6.790 1.00 0.00 C ATOM 1095 O LYS A 71 14.457 1.526 7.857 1.00 0.00 O ATOM 1096 CB LYS A 71 16.760 0.023 6.190 1.00 0.00 C ATOM 1097 CG LYS A 71 17.055 -1.279 5.473 1.00 0.00 C ATOM 1098 CD LYS A 71 18.420 -1.797 5.845 1.00 0.00 C ATOM 1099 CE LYS A 71 18.728 -3.114 5.157 1.00 0.00 C ATOM 1100 NZ LYS A 71 20.102 -3.575 5.449 1.00 0.00 N ATOM 0 H LYS A 71 16.220 1.061 3.982 1.00 0.00 H new ATOM 0 HA LYS A 71 14.652 -0.164 5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 71 17.534 0.748 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.815 -0.144 7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 71 16.298 -2.020 5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 71 17.000 -1.126 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 71 19.175 -1.059 5.574 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.477 -1.929 6.925 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.014 -3.870 5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 71 18.603 -3.000 4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.276 -4.477 4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.785 -2.865 5.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.213 -3.708 6.474 1.00 0.00 H new ATOM 1114 N SER A 72 15.405 2.965 6.400 1.00 0.00 N ATOM 1115 CA SER A 72 15.124 4.117 7.215 1.00 0.00 C ATOM 1116 C SER A 72 13.617 4.318 7.286 1.00 0.00 C ATOM 1117 O SER A 72 13.072 4.563 8.363 1.00 0.00 O ATOM 1118 CB SER A 72 15.827 5.357 6.658 1.00 0.00 C ATOM 1119 OG SER A 72 15.735 6.473 7.542 1.00 0.00 O ATOM 0 H SER A 72 15.885 3.170 5.524 1.00 0.00 H new ATOM 0 HA SER A 72 15.507 3.955 8.223 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.877 5.126 6.476 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.387 5.621 5.696 1.00 0.00 H new ATOM 0 HG SER A 72 16.198 7.242 7.148 1.00 0.00 H new ATOM 1125 N VAL A 73 12.945 4.164 6.136 1.00 0.00 N ATOM 1126 CA VAL A 73 11.485 4.270 6.058 1.00 0.00 C ATOM 1127 C VAL A 73 10.838 3.172 6.900 1.00 0.00 C ATOM 1128 O VAL A 73 9.841 3.402 7.594 1.00 0.00 O ATOM 1129 CB VAL A 73 10.977 4.177 4.588 1.00 0.00 C ATOM 1130 CG1 VAL A 73 9.456 4.205 4.525 1.00 0.00 C ATOM 1131 CG2 VAL A 73 11.554 5.311 3.754 1.00 0.00 C ATOM 0 H VAL A 73 13.395 3.964 5.243 1.00 0.00 H new ATOM 0 HA VAL A 73 11.202 5.248 6.448 1.00 0.00 H new ATOM 0 HB VAL A 73 11.316 3.225 4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.134 4.139 3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.053 3.361 5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.091 5.136 4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.189 5.231 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.245 6.267 4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.642 5.248 3.758 1.00 0.00 H new ATOM 1141 N ALA A 74 11.435 1.990 6.858 1.00 0.00 N ATOM 1142 CA ALA A 74 10.953 0.860 7.624 1.00 0.00 C ATOM 1143 C ALA A 74 10.944 1.167 9.117 1.00 0.00 C ATOM 1144 O ALA A 74 9.992 0.859 9.806 1.00 0.00 O ATOM 1145 CB ALA A 74 11.790 -0.370 7.342 1.00 0.00 C ATOM 0 H ALA A 74 12.262 1.792 6.294 1.00 0.00 H new ATOM 0 HA ALA A 74 9.926 0.662 7.316 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.413 -1.209 7.927 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.734 -0.613 6.281 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.827 -0.175 7.615 1.00 0.00 H new ATOM 1151 N SER A 75 11.995 1.775 9.609 1.00 0.00 N ATOM 1152 CA SER A 75 12.057 2.120 11.015 1.00 0.00 C ATOM 1153 C SER A 75 11.168 3.347 11.309 1.00 0.00 C ATOM 1154 O SER A 75 10.496 3.413 12.342 1.00 0.00 O ATOM 1155 CB SER A 75 13.512 2.376 11.437 1.00 0.00 C ATOM 1156 OG SER A 75 13.617 2.616 12.830 1.00 0.00 O ATOM 0 H SER A 75 12.816 2.041 9.065 1.00 0.00 H new ATOM 0 HA SER A 75 11.677 1.282 11.600 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.126 1.516 11.168 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.905 3.232 10.889 1.00 0.00 H new ATOM 0 HG SER A 75 14.555 2.773 13.065 1.00 0.00 H new ATOM 1162 N ASP A 76 11.142 4.279 10.370 1.00 0.00 N ATOM 1163 CA ASP A 76 10.401 5.543 10.502 1.00 0.00 C ATOM 1164 C ASP A 76 8.889 5.307 10.626 1.00 0.00 C ATOM 1165 O ASP A 76 8.198 6.011 11.366 1.00 0.00 O ATOM 1166 CB ASP A 76 10.727 6.455 9.300 1.00 0.00 C ATOM 1167 CG ASP A 76 10.108 7.835 9.364 1.00 0.00 C ATOM 1168 OD1 ASP A 76 10.625 8.698 10.103 1.00 0.00 O ATOM 1169 OD2 ASP A 76 9.123 8.095 8.653 1.00 0.00 O ATOM 0 H ASP A 76 11.636 4.187 9.483 1.00 0.00 H new ATOM 0 HA ASP A 76 10.716 6.036 11.422 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.809 6.561 9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.391 5.963 8.387 1.00 0.00 H new ATOM 1174 N TRP A 77 8.384 4.314 9.918 1.00 0.00 N ATOM 1175 CA TRP A 77 6.970 3.969 9.971 1.00 0.00 C ATOM 1176 C TRP A 77 6.685 2.764 10.860 1.00 0.00 C ATOM 1177 O TRP A 77 5.522 2.385 11.048 1.00 0.00 O ATOM 1178 CB TRP A 77 6.400 3.766 8.576 1.00 0.00 C ATOM 1179 CG TRP A 77 6.284 5.038 7.800 1.00 0.00 C ATOM 1180 CD1 TRP A 77 7.292 5.752 7.232 1.00 0.00 C ATOM 1181 CD2 TRP A 77 5.077 5.743 7.498 1.00 0.00 C ATOM 1182 NE1 TRP A 77 6.789 6.870 6.623 1.00 0.00 N ATOM 1183 CE2 TRP A 77 5.433 6.884 6.762 1.00 0.00 C ATOM 1184 CE3 TRP A 77 3.730 5.521 7.787 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 4.492 7.801 6.308 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 2.796 6.429 7.332 1.00 0.00 C ATOM 1187 CH2 TRP A 77 3.180 7.556 6.602 1.00 0.00 C ATOM 0 H TRP A 77 8.935 3.726 9.293 1.00 0.00 H new ATOM 0 HA TRP A 77 6.464 4.819 10.429 1.00 0.00 H new ATOM 0 HB2 TRP A 77 7.035 3.070 8.028 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.416 3.305 8.656 1.00 0.00 H new ATOM 0 HD1 TRP A 77 8.336 5.477 7.258 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.341 7.580 6.142 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.424 4.655 8.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.787 8.674 5.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.750 6.265 7.544 1.00 0.00 H new ATOM 0 HH2 TRP A 77 2.424 8.249 6.263 1.00 0.00 H new ATOM 1198 N ALA A 78 7.749 2.198 11.420 1.00 0.00 N ATOM 1199 CA ALA A 78 7.699 1.016 12.291 1.00 0.00 C ATOM 1200 C ALA A 78 7.208 -0.232 11.558 1.00 0.00 C ATOM 1201 O ALA A 78 6.066 -0.674 11.727 1.00 0.00 O ATOM 1202 CB ALA A 78 6.921 1.260 13.588 1.00 0.00 C ATOM 0 H ALA A 78 8.695 2.553 11.281 1.00 0.00 H new ATOM 0 HA ALA A 78 8.731 0.825 12.584 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.920 0.350 14.188 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.394 2.065 14.150 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.895 1.539 13.350 1.00 0.00 H new ATOM 1208 N ILE A 79 8.051 -0.741 10.694 1.00 0.00 N ATOM 1209 CA ILE A 79 7.767 -1.936 9.944 1.00 0.00 C ATOM 1210 C ILE A 79 8.861 -2.961 10.226 1.00 0.00 C ATOM 1211 O ILE A 79 9.961 -2.902 9.645 1.00 0.00 O ATOM 1212 CB ILE A 79 7.715 -1.663 8.405 1.00 0.00 C ATOM 1213 CG1 ILE A 79 6.717 -0.534 8.065 1.00 0.00 C ATOM 1214 CG2 ILE A 79 7.360 -2.943 7.638 1.00 0.00 C ATOM 1215 CD1 ILE A 79 5.279 -0.813 8.462 1.00 0.00 C ATOM 0 H ILE A 79 8.963 -0.332 10.491 1.00 0.00 H new ATOM 0 HA ILE A 79 6.789 -2.306 10.253 1.00 0.00 H new ATOM 0 HB ILE A 79 8.707 -1.336 8.095 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.044 0.381 8.558 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.753 -0.348 6.992 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.329 -2.730 6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.113 -3.706 7.835 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.385 -3.304 7.964 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.654 0.035 8.184 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.927 -1.708 7.949 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.222 -0.967 9.540 1.00 0.00 H new ATOM 1227 N GLN A 80 8.601 -3.839 11.155 1.00 0.00 N ATOM 1228 CA GLN A 80 9.538 -4.873 11.507 1.00 0.00 C ATOM 1229 C GLN A 80 9.220 -6.165 10.765 1.00 0.00 C ATOM 1230 O GLN A 80 10.124 -6.949 10.443 1.00 0.00 O ATOM 1231 CB GLN A 80 9.551 -5.148 13.024 1.00 0.00 C ATOM 1232 CG GLN A 80 10.134 -4.057 13.942 1.00 0.00 C ATOM 1233 CD GLN A 80 9.373 -2.747 13.947 1.00 0.00 C ATOM 1234 OE1 GLN A 80 9.663 -1.836 13.168 1.00 0.00 O ATOM 1235 NE2 GLN A 80 8.408 -2.636 14.813 1.00 0.00 N ATOM 0 H GLN A 80 7.733 -3.859 11.691 1.00 0.00 H new ATOM 0 HA GLN A 80 10.525 -4.516 11.214 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.525 -5.340 13.339 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.114 -6.066 13.194 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.170 -4.442 14.961 1.00 0.00 H new ATOM 0 HG3 GLN A 80 11.163 -3.861 13.639 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.196 -3.410 15.442 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.864 -1.775 14.863 1.00 0.00 H new ATOM 1244 N ALA A 81 7.948 -6.379 10.475 1.00 0.00 N ATOM 1245 CA ALA A 81 7.531 -7.607 9.840 1.00 0.00 C ATOM 1246 C ALA A 81 6.870 -7.345 8.502 1.00 0.00 C ATOM 1247 O ALA A 81 5.853 -6.659 8.418 1.00 0.00 O ATOM 1248 CB ALA A 81 6.604 -8.393 10.755 1.00 0.00 C ATOM 0 H ALA A 81 7.194 -5.720 10.669 1.00 0.00 H new ATOM 0 HA ALA A 81 8.423 -8.204 9.654 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.300 -9.315 10.260 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.125 -8.634 11.682 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.721 -7.794 10.980 1.00 0.00 H new ATOM 1254 N MET A 82 7.449 -7.883 7.465 1.00 0.00 N ATOM 1255 CA MET A 82 6.915 -7.745 6.143 1.00 0.00 C ATOM 1256 C MET A 82 6.034 -8.912 5.781 1.00 0.00 C ATOM 1257 O MET A 82 6.286 -10.044 6.231 1.00 0.00 O ATOM 1258 CB MET A 82 8.006 -7.582 5.123 1.00 0.00 C ATOM 1259 CG MET A 82 8.673 -6.239 5.204 1.00 0.00 C ATOM 1260 SD MET A 82 9.784 -6.002 6.631 1.00 0.00 S ATOM 1261 CE MET A 82 11.039 -7.248 6.305 1.00 0.00 C ATOM 0 H MET A 82 8.308 -8.431 7.515 1.00 0.00 H new ATOM 0 HA MET A 82 6.306 -6.841 6.139 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.752 -8.364 5.266 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.589 -7.717 4.125 1.00 0.00 H new ATOM 0 HG2 MET A 82 9.245 -6.081 4.290 1.00 0.00 H new ATOM 0 HG3 MET A 82 7.901 -5.470 5.234 1.00 0.00 H new ATOM 0 HE1 MET A 82 10.975 -8.034 7.057 1.00 0.00 H new ATOM 0 HE2 MET A 82 10.877 -7.678 5.317 1.00 0.00 H new ATOM 0 HE3 MET A 82 12.027 -6.788 6.343 1.00 0.00 H new ATOM 1271 N PRO A 83 4.977 -8.692 4.985 1.00 0.00 N ATOM 1272 CA PRO A 83 4.610 -7.381 4.456 1.00 0.00 C ATOM 1273 C PRO A 83 3.605 -6.658 5.359 1.00 0.00 C ATOM 1274 O PRO A 83 2.898 -7.282 6.145 1.00 0.00 O ATOM 1275 CB PRO A 83 3.960 -7.738 3.125 1.00 0.00 C ATOM 1276 CG PRO A 83 3.303 -9.061 3.367 1.00 0.00 C ATOM 1277 CD PRO A 83 4.044 -9.725 4.516 1.00 0.00 C ATOM 0 HA PRO A 83 5.461 -6.705 4.376 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.233 -6.984 2.824 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.700 -7.803 2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.250 -8.928 3.614 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.345 -9.681 2.472 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.360 -10.033 5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.572 -10.619 4.186 1.00 0.00 H new ATOM 1285 N THR A 84 3.579 -5.370 5.285 1.00 0.00 N ATOM 1286 CA THR A 84 2.636 -4.616 6.034 1.00 0.00 C ATOM 1287 C THR A 84 1.814 -3.769 5.085 1.00 0.00 C ATOM 1288 O THR A 84 2.363 -3.004 4.299 1.00 0.00 O ATOM 1289 CB THR A 84 3.330 -3.714 7.039 1.00 0.00 C ATOM 1290 OG1 THR A 84 4.238 -4.485 7.843 1.00 0.00 O ATOM 1291 CG2 THR A 84 2.321 -3.015 7.947 1.00 0.00 C ATOM 0 H THR A 84 4.208 -4.814 4.706 1.00 0.00 H new ATOM 0 HA THR A 84 1.994 -5.307 6.580 1.00 0.00 H new ATOM 0 HB THR A 84 3.879 -2.954 6.483 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.438 -3.997 8.669 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.850 -2.377 8.655 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.648 -2.407 7.343 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.744 -3.762 8.492 1.00 0.00 H new ATOM 1299 N PHE A 85 0.524 -3.896 5.169 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.358 -3.160 4.348 1.00 0.00 C ATOM 1301 C PHE A 85 -0.970 -2.081 5.176 1.00 0.00 C ATOM 1302 O PHE A 85 -1.601 -2.358 6.191 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.457 -4.076 3.837 1.00 0.00 C ATOM 1304 CG PHE A 85 -0.984 -5.191 2.961 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -0.882 -5.010 1.595 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -0.643 -6.423 3.497 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.450 -6.030 0.781 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.208 -7.446 2.686 1.00 0.00 C ATOM 1309 CZ PHE A 85 -0.113 -7.246 1.325 1.00 0.00 C ATOM 0 H PHE A 85 0.059 -4.526 5.823 1.00 0.00 H new ATOM 0 HA PHE A 85 0.181 -2.736 3.501 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.983 -4.502 4.692 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.181 -3.479 3.283 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.145 -4.056 1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.720 -6.582 4.563 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.376 -5.876 -0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.058 -8.401 3.114 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.227 -8.047 0.685 1.00 0.00 H new ATOM 1319 N MET A 86 -0.782 -0.870 4.784 1.00 0.00 N ATOM 1320 CA MET A 86 -1.331 0.222 5.522 1.00 0.00 C ATOM 1321 C MET A 86 -2.388 0.904 4.718 1.00 0.00 C ATOM 1322 O MET A 86 -2.138 1.370 3.602 1.00 0.00 O ATOM 1323 CB MET A 86 -0.246 1.200 5.948 1.00 0.00 C ATOM 1324 CG MET A 86 -0.758 2.375 6.773 1.00 0.00 C ATOM 1325 SD MET A 86 0.566 3.467 7.332 1.00 0.00 S ATOM 1326 CE MET A 86 1.536 2.347 8.349 1.00 0.00 C ATOM 0 H MET A 86 -0.251 -0.606 3.954 1.00 0.00 H new ATOM 0 HA MET A 86 -1.788 -0.170 6.431 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.505 0.663 6.527 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.252 1.584 5.058 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.469 2.948 6.178 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.300 1.996 7.639 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.185 2.924 9.008 1.00 0.00 H new ATOM 0 HE2 MET A 86 0.868 1.729 8.948 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.144 1.708 7.708 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.548 0.951 5.272 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.669 1.528 4.676 1.00 0.00 C ATOM 1338 C PHE A 87 -4.943 2.862 5.316 1.00 0.00 C ATOM 1339 O PHE A 87 -5.229 2.955 6.525 1.00 0.00 O ATOM 1340 CB PHE A 87 -5.860 0.617 4.898 1.00 0.00 C ATOM 1341 CG PHE A 87 -5.788 -0.721 4.215 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -5.071 -1.771 4.770 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.450 -0.931 3.019 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -5.016 -2.997 4.143 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.399 -2.153 2.388 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.681 -3.187 2.949 1.00 0.00 C ATOM 0 H PHE A 87 -3.735 0.566 6.198 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.494 1.665 3.609 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.975 0.453 5.969 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.758 1.132 4.556 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.550 -1.626 5.705 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.015 -0.125 2.574 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.454 -3.807 4.585 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.921 -2.302 1.454 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.639 -4.146 2.454 1.00 0.00 H new ATOM 1356 N LEU A 88 -4.855 3.883 4.551 1.00 0.00 N ATOM 1357 CA LEU A 88 -5.146 5.173 5.037 1.00 0.00 C ATOM 1358 C LEU A 88 -6.075 5.874 4.073 1.00 0.00 C ATOM 1359 O LEU A 88 -6.166 5.505 2.915 1.00 0.00 O ATOM 1360 CB LEU A 88 -3.873 6.016 5.377 1.00 0.00 C ATOM 1361 CG LEU A 88 -2.828 6.289 4.284 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -1.870 7.372 4.762 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -2.017 5.032 3.974 1.00 0.00 C ATOM 0 H LEU A 88 -4.579 3.847 3.570 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.654 5.064 5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.212 6.982 5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.361 5.516 6.200 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.354 6.606 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.127 7.568 3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.428 8.285 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.368 7.039 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.285 5.254 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.501 4.701 4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.686 4.244 3.628 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.739 6.868 4.522 1.00 0.00 N ATOM 1376 CA LYS A 89 -7.714 7.507 3.715 1.00 0.00 C ATOM 1377 C LYS A 89 -7.533 8.977 3.755 1.00 0.00 C ATOM 1378 O LYS A 89 -7.626 9.608 4.817 1.00 0.00 O ATOM 1379 CB LYS A 89 -9.112 7.113 4.201 1.00 0.00 C ATOM 1380 CG LYS A 89 -10.290 7.735 3.463 1.00 0.00 C ATOM 1381 CD LYS A 89 -11.597 7.144 3.982 1.00 0.00 C ATOM 1382 CE LYS A 89 -12.830 7.710 3.285 1.00 0.00 C ATOM 1383 NZ LYS A 89 -13.067 9.138 3.589 1.00 0.00 N ATOM 0 H LYS A 89 -6.626 7.264 5.455 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.597 7.185 2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.203 6.029 4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.193 7.376 5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.288 8.816 3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.198 7.552 2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.577 6.062 3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.674 7.333 5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.718 7.588 2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.705 7.132 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.070 9.364 3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.820 9.327 4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.478 9.728 2.967 1.00 0.00 H new ATOM 1397 N GLU A 90 -7.224 9.511 2.586 1.00 0.00 N ATOM 1398 CA GLU A 90 -7.091 10.923 2.350 1.00 0.00 C ATOM 1399 C GLU A 90 -6.018 11.537 3.260 1.00 0.00 C ATOM 1400 O GLU A 90 -6.117 12.686 3.674 1.00 0.00 O ATOM 1401 CB GLU A 90 -8.448 11.573 2.524 1.00 0.00 C ATOM 1402 CG GLU A 90 -9.486 10.976 1.585 1.00 0.00 C ATOM 1403 CD GLU A 90 -10.871 11.469 1.836 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -11.482 11.033 2.812 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -11.394 12.251 1.038 1.00 0.00 O ATOM 0 H GLU A 90 -7.055 8.948 1.753 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.752 11.102 1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.779 11.452 3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.364 12.644 2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.208 11.206 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.472 9.891 1.684 1.00 0.00 H new ATOM 1412 N GLY A 91 -4.973 10.760 3.515 1.00 0.00 N ATOM 1413 CA GLY A 91 -3.870 11.205 4.348 1.00 0.00 C ATOM 1414 C GLY A 91 -4.010 10.832 5.823 1.00 0.00 C ATOM 1415 O GLY A 91 -3.059 10.993 6.592 1.00 0.00 O ATOM 0 H GLY A 91 -4.869 9.812 3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.944 10.779 3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.781 12.288 4.265 1.00 0.00 H new ATOM 1419 N LYS A 92 -5.165 10.333 6.223 1.00 0.00 N ATOM 1420 CA LYS A 92 -5.366 9.918 7.609 1.00 0.00 C ATOM 1421 C LYS A 92 -5.369 8.396 7.674 1.00 0.00 C ATOM 1422 O LYS A 92 -6.076 7.757 6.916 1.00 0.00 O ATOM 1423 CB LYS A 92 -6.704 10.457 8.131 1.00 0.00 C ATOM 1424 CG LYS A 92 -6.989 10.151 9.604 1.00 0.00 C ATOM 1425 CD LYS A 92 -5.960 10.797 10.528 1.00 0.00 C ATOM 1426 CE LYS A 92 -5.970 12.310 10.395 1.00 0.00 C ATOM 1427 NZ LYS A 92 -4.965 12.948 11.254 1.00 0.00 N ATOM 0 H LYS A 92 -5.976 10.204 5.617 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.561 10.315 8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.725 11.537 7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.509 10.040 7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.985 10.509 9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.988 9.072 9.758 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -6.171 10.519 11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.966 10.416 10.292 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.784 12.583 9.356 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -6.959 12.689 10.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.008 13.980 11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.156 12.710 12.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.018 12.607 10.992 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.605 7.826 8.580 1.00 0.00 N ATOM 1442 CA ILE A 93 -4.506 6.372 8.680 1.00 0.00 C ATOM 1443 C ILE A 93 -5.763 5.763 9.291 1.00 0.00 C ATOM 1444 O ILE A 93 -6.276 6.244 10.313 1.00 0.00 O ATOM 1445 CB ILE A 93 -3.234 5.916 9.459 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -1.974 6.451 8.758 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -3.172 4.385 9.569 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -0.681 6.101 9.458 1.00 0.00 C ATOM 0 H ILE A 93 -4.042 8.338 9.259 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.412 6.000 7.660 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.284 6.323 10.469 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.942 6.058 7.742 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.049 7.535 8.678 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.275 4.096 10.117 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.053 4.022 10.098 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.144 3.949 8.570 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.159 6.515 8.900 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.688 6.518 10.465 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.580 5.017 9.515 1.00 0.00 H new ATOM 1460 N LEU A 94 -6.272 4.733 8.644 1.00 0.00 N ATOM 1461 CA LEU A 94 -7.427 4.035 9.119 1.00 0.00 C ATOM 1462 C LEU A 94 -7.019 2.763 9.811 1.00 0.00 C ATOM 1463 O LEU A 94 -7.303 2.574 10.995 1.00 0.00 O ATOM 1464 CB LEU A 94 -8.378 3.700 7.977 1.00 0.00 C ATOM 1465 CG LEU A 94 -9.004 4.869 7.230 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -9.968 4.357 6.180 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -9.718 5.799 8.188 1.00 0.00 C ATOM 0 H LEU A 94 -5.888 4.364 7.774 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.941 4.689 9.823 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.837 3.088 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.183 3.084 8.377 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.209 5.430 6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.411 5.201 5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.432 3.725 5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.755 3.777 6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.158 6.627 7.632 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.505 5.252 8.707 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.006 6.188 8.916 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.339 1.901 9.087 1.00 0.00 N ATOM 1480 CA ASP A 95 -5.960 0.610 9.596 1.00 0.00 C ATOM 1481 C ASP A 95 -4.756 0.066 8.891 1.00 0.00 C ATOM 1482 O ASP A 95 -4.409 0.499 7.808 1.00 0.00 O ATOM 1483 CB ASP A 95 -7.090 -0.394 9.490 1.00 0.00 C ATOM 1484 CG ASP A 95 -7.556 -0.669 8.075 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -8.463 0.037 7.577 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -7.050 -1.607 7.463 1.00 0.00 O ATOM 0 H ASP A 95 -6.035 2.079 8.130 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.719 0.761 10.648 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.769 -1.332 9.942 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.936 -0.032 10.074 1.00 0.00 H new ATOM 1491 N LYS A 96 -4.098 -0.839 9.535 1.00 0.00 N ATOM 1492 CA LYS A 96 -2.937 -1.497 8.973 1.00 0.00 C ATOM 1493 C LYS A 96 -2.885 -2.994 9.302 1.00 0.00 C ATOM 1494 O LYS A 96 -3.252 -3.422 10.407 1.00 0.00 O ATOM 1495 CB LYS A 96 -1.612 -0.729 9.279 1.00 0.00 C ATOM 1496 CG LYS A 96 -1.411 -0.247 10.727 1.00 0.00 C ATOM 1497 CD LYS A 96 -1.337 -1.374 11.733 1.00 0.00 C ATOM 1498 CE LYS A 96 -1.182 -0.831 13.139 1.00 0.00 C ATOM 1499 NZ LYS A 96 -1.152 -1.903 14.144 1.00 0.00 N ATOM 0 H LYS A 96 -4.342 -1.154 10.474 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.046 -1.456 7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.775 -1.376 9.017 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.562 0.139 8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.494 0.340 10.782 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.231 0.418 10.998 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.239 -1.983 11.671 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.496 -2.025 11.495 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.263 -0.248 13.203 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.006 -0.152 13.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.045 -1.488 15.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -2.039 -2.444 14.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.351 -2.537 13.951 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.474 -3.775 8.338 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.395 -5.220 8.476 1.00 0.00 C ATOM 1515 C VAL A 97 -0.945 -5.666 8.367 1.00 0.00 C ATOM 1516 O VAL A 97 -0.283 -5.395 7.365 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.222 -5.950 7.368 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.172 -7.466 7.548 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -4.662 -5.464 7.346 1.00 0.00 C ATOM 0 H VAL A 97 -2.180 -3.431 7.424 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.807 -5.480 9.451 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.766 -5.707 6.408 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.756 -7.945 6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.138 -7.805 7.489 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.586 -7.731 8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.212 -5.990 6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.127 -5.660 8.312 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.681 -4.393 7.145 1.00 0.00 H new ATOM 1529 N VAL A 98 -0.453 -6.311 9.394 1.00 0.00 N ATOM 1530 CA VAL A 98 0.884 -6.844 9.376 1.00 0.00 C ATOM 1531 C VAL A 98 0.843 -8.344 9.047 1.00 0.00 C ATOM 1532 O VAL A 98 0.202 -9.141 9.750 1.00 0.00 O ATOM 1533 CB VAL A 98 1.656 -6.554 10.710 1.00 0.00 C ATOM 1534 CG1 VAL A 98 0.944 -7.139 11.926 1.00 0.00 C ATOM 1535 CG2 VAL A 98 3.092 -7.048 10.631 1.00 0.00 C ATOM 0 H VAL A 98 -0.964 -6.480 10.260 1.00 0.00 H new ATOM 0 HA VAL A 98 1.444 -6.335 8.592 1.00 0.00 H new ATOM 0 HB VAL A 98 1.674 -5.472 10.838 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.516 -6.913 12.826 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.052 -6.703 12.009 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.858 -8.220 11.813 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.603 -6.833 11.570 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.098 -8.123 10.452 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.606 -6.542 9.814 1.00 0.00 H new ATOM 1545 N GLY A 99 1.488 -8.705 7.971 1.00 0.00 N ATOM 1546 CA GLY A 99 1.479 -10.059 7.516 1.00 0.00 C ATOM 1547 C GLY A 99 0.554 -10.194 6.337 1.00 0.00 C ATOM 1548 O GLY A 99 -0.458 -9.484 6.254 1.00 0.00 O ATOM 0 H GLY A 99 2.032 -8.067 7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.487 -10.365 7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.157 -10.720 8.320 1.00 0.00 H new ATOM 1552 N ALA A 100 0.871 -11.072 5.414 1.00 0.00 N ATOM 1553 CA ALA A 100 0.017 -11.224 4.275 1.00 0.00 C ATOM 1554 C ALA A 100 -1.025 -12.248 4.586 1.00 0.00 C ATOM 1555 O ALA A 100 -0.739 -13.445 4.674 1.00 0.00 O ATOM 1556 CB ALA A 100 0.813 -11.639 3.050 1.00 0.00 C ATOM 0 H ALA A 100 1.694 -11.675 5.432 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.457 -10.268 4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.141 -11.748 2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.561 -10.878 2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.310 -12.590 3.244 1.00 0.00 H new ATOM 1562 N LYS A 101 -2.217 -11.792 4.764 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.319 -12.632 5.039 1.00 0.00 C ATOM 1564 C LYS A 101 -4.392 -12.347 4.029 1.00 0.00 C ATOM 1565 O LYS A 101 -4.983 -11.285 4.051 1.00 0.00 O ATOM 1566 CB LYS A 101 -3.783 -12.365 6.457 1.00 0.00 C ATOM 1567 CG LYS A 101 -2.712 -12.722 7.474 1.00 0.00 C ATOM 1568 CD LYS A 101 -3.094 -12.425 8.877 1.00 0.00 C ATOM 1569 CE LYS A 101 -4.297 -13.223 9.341 1.00 0.00 C ATOM 1570 NZ LYS A 101 -4.596 -12.963 10.754 1.00 0.00 N ATOM 0 H LYS A 101 -2.452 -10.801 4.720 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.054 -13.687 4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.048 -11.313 6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.685 -12.943 6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.482 -13.784 7.387 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.799 -12.177 7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.249 -12.638 9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.311 -11.361 8.972 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.163 -12.967 8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.108 -14.287 9.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.424 -13.523 11.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.777 -13.230 11.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.799 -11.952 10.885 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.631 -13.287 3.152 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.537 -13.114 2.048 1.00 0.00 C ATOM 1586 C LYS A 102 -6.984 -12.923 2.503 1.00 0.00 C ATOM 1587 O LYS A 102 -7.649 -11.970 2.086 1.00 0.00 O ATOM 1588 CB LYS A 102 -5.414 -14.296 1.094 1.00 0.00 C ATOM 1589 CG LYS A 102 -6.292 -14.194 -0.122 1.00 0.00 C ATOM 1590 CD LYS A 102 -6.094 -15.372 -1.054 1.00 0.00 C ATOM 1591 CE LYS A 102 -7.011 -15.275 -2.256 1.00 0.00 C ATOM 1592 NZ LYS A 102 -6.830 -16.403 -3.181 1.00 0.00 N ATOM 0 H LYS A 102 -4.195 -14.208 3.186 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.257 -12.199 1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.376 -14.385 0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.661 -15.211 1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.336 -14.145 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.072 -13.268 -0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.056 -15.407 -1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.289 -16.301 -0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -8.047 -15.245 -1.920 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.820 -14.340 -2.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.476 -16.297 -3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.848 -16.417 -3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.037 -17.294 -2.687 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.452 -13.802 3.365 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.840 -13.742 3.852 1.00 0.00 C ATOM 1608 C ASP A 103 -9.080 -12.485 4.686 1.00 0.00 C ATOM 1609 O ASP A 103 -10.087 -11.794 4.522 1.00 0.00 O ATOM 1610 CB ASP A 103 -9.190 -15.005 4.654 1.00 0.00 C ATOM 1611 CG ASP A 103 -10.585 -14.971 5.257 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -11.543 -15.409 4.595 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -10.735 -14.522 6.413 1.00 0.00 O ATOM 0 H ASP A 103 -6.903 -14.570 3.750 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.497 -13.695 2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.105 -15.875 4.003 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.460 -15.133 5.453 1.00 0.00 H new ATOM 1618 N GLU A 104 -8.134 -12.178 5.545 1.00 0.00 N ATOM 1619 CA GLU A 104 -8.222 -11.007 6.403 1.00 0.00 C ATOM 1620 C GLU A 104 -8.109 -9.725 5.561 1.00 0.00 C ATOM 1621 O GLU A 104 -8.720 -8.695 5.878 1.00 0.00 O ATOM 1622 CB GLU A 104 -7.124 -11.069 7.471 1.00 0.00 C ATOM 1623 CG GLU A 104 -7.207 -10.008 8.548 1.00 0.00 C ATOM 1624 CD GLU A 104 -8.478 -10.117 9.358 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -8.589 -11.039 10.187 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -9.361 -9.270 9.200 1.00 0.00 O ATOM 0 H GLU A 104 -7.284 -12.727 5.672 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.190 -10.993 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.158 -12.049 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.155 -10.987 6.978 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.347 -10.097 9.211 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.154 -9.021 8.089 1.00 0.00 H new ATOM 1633 N LEU A 105 -7.339 -9.798 4.484 1.00 0.00 N ATOM 1634 CA LEU A 105 -7.193 -8.686 3.570 1.00 0.00 C ATOM 1635 C LEU A 105 -8.520 -8.428 2.911 1.00 0.00 C ATOM 1636 O LEU A 105 -8.992 -7.310 2.885 1.00 0.00 O ATOM 1637 CB LEU A 105 -6.159 -9.001 2.508 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.801 -7.860 1.560 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -5.250 -6.671 2.333 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -4.791 -8.320 0.535 1.00 0.00 C ATOM 0 H LEU A 105 -6.803 -10.626 4.225 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.864 -7.807 4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.247 -9.333 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.522 -9.840 1.914 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.711 -7.551 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.001 -5.869 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.000 -6.318 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.354 -6.973 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.548 -7.493 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.886 -8.656 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.210 -9.143 -0.044 1.00 0.00 H new ATOM 1652 N GLN A 106 -9.113 -9.492 2.395 1.00 0.00 N ATOM 1653 CA GLN A 106 -10.459 -9.439 1.787 1.00 0.00 C ATOM 1654 C GLN A 106 -11.469 -8.845 2.757 1.00 0.00 C ATOM 1655 O GLN A 106 -12.328 -8.055 2.366 1.00 0.00 O ATOM 1656 CB GLN A 106 -10.915 -10.833 1.336 1.00 0.00 C ATOM 1657 CG GLN A 106 -10.151 -11.393 0.149 1.00 0.00 C ATOM 1658 CD GLN A 106 -10.465 -10.660 -1.144 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -9.741 -9.628 -1.425 1.00 0.00 O flip ATOM 1660 NE2 GLN A 106 -11.372 -11.039 -1.880 1.00 0.00 N flip ATOM 0 H GLN A 106 -8.688 -10.419 2.379 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.400 -8.795 0.909 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.815 -11.523 2.174 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.974 -10.790 1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.081 -11.330 0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.392 -12.449 0.032 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.925 -11.858 -1.628 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.573 -10.534 -2.743 1.00 0.00 H new ATOM 1669 N SER A 107 -11.337 -9.199 4.021 1.00 0.00 N ATOM 1670 CA SER A 107 -12.206 -8.669 5.043 1.00 0.00 C ATOM 1671 C SER A 107 -11.993 -7.168 5.172 1.00 0.00 C ATOM 1672 O SER A 107 -12.944 -6.401 5.213 1.00 0.00 O ATOM 1673 CB SER A 107 -11.960 -9.380 6.378 1.00 0.00 C ATOM 1674 OG SER A 107 -12.789 -8.865 7.413 1.00 0.00 O ATOM 0 H SER A 107 -10.633 -9.854 4.361 1.00 0.00 H new ATOM 0 HA SER A 107 -13.243 -8.847 4.759 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.146 -10.448 6.261 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.913 -9.268 6.662 1.00 0.00 H new ATOM 0 HG SER A 107 -12.605 -9.344 8.248 1.00 0.00 H new ATOM 1680 N THR A 108 -10.746 -6.768 5.188 1.00 0.00 N ATOM 1681 CA THR A 108 -10.377 -5.382 5.285 1.00 0.00 C ATOM 1682 C THR A 108 -10.869 -4.613 4.042 1.00 0.00 C ATOM 1683 O THR A 108 -11.338 -3.482 4.152 1.00 0.00 O ATOM 1684 CB THR A 108 -8.844 -5.267 5.439 1.00 0.00 C ATOM 1685 OG1 THR A 108 -8.428 -6.026 6.604 1.00 0.00 O ATOM 1686 CG2 THR A 108 -8.417 -3.822 5.607 1.00 0.00 C ATOM 0 H THR A 108 -9.951 -7.405 5.133 1.00 0.00 H new ATOM 0 HA THR A 108 -10.849 -4.939 6.162 1.00 0.00 H new ATOM 0 HB THR A 108 -8.374 -5.661 4.538 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.493 -6.984 6.410 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.333 -3.773 5.713 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.722 -3.248 4.732 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.888 -3.405 6.497 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.804 -5.247 2.878 1.00 0.00 N ATOM 1695 CA ILE A 109 -11.282 -4.627 1.659 1.00 0.00 C ATOM 1696 C ILE A 109 -12.792 -4.398 1.760 1.00 0.00 C ATOM 1697 O ILE A 109 -13.283 -3.337 1.414 1.00 0.00 O ATOM 1698 CB ILE A 109 -10.965 -5.473 0.396 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -9.450 -5.732 0.282 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -11.475 -4.760 -0.859 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -9.071 -6.595 -0.888 1.00 0.00 C ATOM 0 H ILE A 109 -10.426 -6.187 2.757 1.00 0.00 H new ATOM 0 HA ILE A 109 -10.760 -3.677 1.550 1.00 0.00 H new ATOM 0 HB ILE A 109 -11.473 -6.433 0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.932 -4.776 0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.101 -6.206 1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.247 -5.363 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.553 -4.620 -0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.988 -3.789 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.990 -6.733 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.560 -7.565 -0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.388 -6.113 -1.813 1.00 0.00 H new ATOM 1713 N ALA A 110 -13.509 -5.386 2.287 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.956 -5.283 2.450 1.00 0.00 C ATOM 1715 C ALA A 110 -15.319 -4.233 3.496 1.00 0.00 C ATOM 1716 O ALA A 110 -16.350 -3.559 3.385 1.00 0.00 O ATOM 1717 CB ALA A 110 -15.564 -6.634 2.793 1.00 0.00 C ATOM 0 H ALA A 110 -13.111 -6.268 2.609 1.00 0.00 H new ATOM 0 HA ALA A 110 -15.377 -4.960 1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.643 -6.529 2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -15.353 -7.342 1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -15.133 -7.001 3.725 1.00 0.00 H new ATOM 1723 N LYS A 111 -14.465 -4.085 4.495 1.00 0.00 N ATOM 1724 CA LYS A 111 -14.609 -3.118 5.501 1.00 0.00 C ATOM 1725 C LYS A 111 -14.446 -1.707 4.949 1.00 0.00 C ATOM 1726 O LYS A 111 -15.080 -0.765 5.426 1.00 0.00 O ATOM 1727 CB LYS A 111 -13.610 -3.425 6.566 1.00 0.00 C ATOM 1728 CG LYS A 111 -14.004 -4.568 7.470 1.00 0.00 C ATOM 1729 CD LYS A 111 -12.976 -4.821 8.546 1.00 0.00 C ATOM 1730 CE LYS A 111 -13.393 -5.993 9.414 1.00 0.00 C ATOM 1731 NZ LYS A 111 -12.408 -6.280 10.474 1.00 0.00 N ATOM 0 H LYS A 111 -13.635 -4.667 4.606 1.00 0.00 H new ATOM 0 HA LYS A 111 -15.615 -3.153 5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -12.655 -3.660 6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -13.456 -2.533 7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -14.966 -4.349 7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -14.135 -5.472 6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -12.007 -5.025 8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -12.858 -3.929 9.161 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -14.361 -5.780 9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -13.521 -6.878 8.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.735 -7.088 11.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -11.490 -6.509 10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -12.304 -5.446 11.086 1.00 0.00 H new ATOM 1745 N HIS A 112 -13.621 -1.575 3.939 1.00 0.00 N ATOM 1746 CA HIS A 112 -13.430 -0.320 3.264 1.00 0.00 C ATOM 1747 C HIS A 112 -14.490 -0.092 2.187 1.00 0.00 C ATOM 1748 O HIS A 112 -14.888 1.042 1.942 1.00 0.00 O ATOM 1749 CB HIS A 112 -12.036 -0.237 2.644 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.909 0.044 3.601 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -10.245 1.242 3.623 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -10.312 -0.721 4.538 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -9.294 1.203 4.522 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -9.309 0.028 5.094 1.00 0.00 N ATOM 0 H HIS A 112 -13.062 -2.340 3.562 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.531 0.464 4.015 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.829 -1.178 2.135 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.044 0.543 1.882 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.576 -1.735 4.801 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.611 2.007 4.752 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -8.677 -0.281 5.833 1.00 0.00 H new ATOM 1763 N LEU A 113 -14.937 -1.179 1.558 1.00 0.00 N ATOM 1764 CA LEU A 113 -15.888 -1.159 0.473 1.00 0.00 C ATOM 1765 C LEU A 113 -17.186 -0.452 0.865 1.00 0.00 C ATOM 1766 O LEU A 113 -17.858 -0.849 1.843 1.00 0.00 O ATOM 1767 CB LEU A 113 -16.130 -2.612 0.080 1.00 0.00 C ATOM 1768 CG LEU A 113 -16.925 -2.939 -1.188 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -18.414 -2.606 -1.085 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -16.303 -2.290 -2.412 1.00 0.00 C ATOM 0 H LEU A 113 -14.631 -2.120 1.805 1.00 0.00 H new ATOM 0 HA LEU A 113 -15.496 -0.592 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -15.155 -3.089 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -16.639 -3.094 0.915 1.00 0.00 H new ATOM 0 HG LEU A 113 -16.868 -4.022 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -18.910 -2.865 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -18.859 -3.175 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -18.536 -1.540 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -16.890 -2.541 -3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -16.288 -1.208 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -15.284 -2.654 -2.539 1.00 0.00 H new