USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 445 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 425 ASN :FLIP amide:sc= 0.838 F(o=-1.5,f=1.8) USER MOD Set 1.2: A 471 TYR OH : rot -168:sc= 0.94 USER MOD Single : A 414 SER OG : rot 180:sc= 0 USER MOD Single : A 415 SER OG : rot 180:sc= 0 USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 418 SER OG : rot 180:sc= 0 USER MOD Single : A 421 GLN : amide:sc=-0.00161 X(o=-0.0016,f=0) USER MOD Single : A 429 CYS SG : rot -32:sc= -0.615 USER MOD Single : A 435 ASN :FLIP amide:sc= -0.758 F(o=-1.6!,f=-0.76) USER MOD Single : A 437 GLN : amide:sc= -0.755! C(o=-0.76!,f=-3.5!) USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 SER OG : rot 180:sc= -0.0053 USER MOD Single : A 446 ASN : amide:sc= -0.0113 K(o=-0.011,f=-1.5) USER MOD Single : A 447 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0486) USER MOD Single : A 449 THR OG1 : rot 90:sc= 0.665 USER MOD Single : A 451 MET CE :methyl -125:sc= -2.43 (180deg=-4.23!) USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 HIS : no HD1:sc= -0.0585 K(o=-0.058,f=-2.5!) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 460 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 470 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 413 -9.000 1.043 25.484 1.00 0.00 N ATOM 2 CA GLY A 413 -8.258 1.044 24.237 1.00 0.00 C ATOM 3 C GLY A 413 -9.084 1.552 23.071 1.00 0.00 C ATOM 4 O GLY A 413 -9.957 2.403 23.244 1.00 0.00 O ATOM 0 HA2 GLY A 413 -7.369 1.666 24.347 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -7.914 0.032 24.021 1.00 0.00 H new ATOM 8 N SER A 414 -8.808 1.031 21.880 1.00 0.00 N ATOM 9 CA SER A 414 -9.528 1.441 20.680 1.00 0.00 C ATOM 10 C SER A 414 -9.909 0.229 19.835 1.00 0.00 C ATOM 11 O SER A 414 -9.459 -0.887 20.092 1.00 0.00 O ATOM 12 CB SER A 414 -8.676 2.406 19.854 1.00 0.00 C ATOM 13 OG SER A 414 -8.498 3.638 20.531 1.00 0.00 O ATOM 0 H SER A 414 -8.091 0.324 21.720 1.00 0.00 H new ATOM 0 HA SER A 414 -10.442 1.948 20.989 1.00 0.00 H new ATOM 0 HB2 SER A 414 -7.704 1.956 19.651 1.00 0.00 H new ATOM 0 HB3 SER A 414 -9.153 2.583 18.890 1.00 0.00 H new ATOM 0 HG SER A 414 -7.949 4.236 19.983 1.00 0.00 H new ATOM 19 N SER A 415 -10.742 0.459 18.825 1.00 0.00 N ATOM 20 CA SER A 415 -11.188 -0.614 17.944 1.00 0.00 C ATOM 21 C SER A 415 -10.626 -0.430 16.537 1.00 0.00 C ATOM 22 O SER A 415 -9.850 -1.253 16.054 1.00 0.00 O ATOM 23 CB SER A 415 -12.717 -0.658 17.892 1.00 0.00 C ATOM 24 OG SER A 415 -13.173 -1.869 17.315 1.00 0.00 O ATOM 0 H SER A 415 -11.121 1.378 18.597 1.00 0.00 H new ATOM 0 HA SER A 415 -10.818 -1.557 18.345 1.00 0.00 H new ATOM 0 HB2 SER A 415 -13.121 -0.557 18.899 1.00 0.00 H new ATOM 0 HB3 SER A 415 -13.089 0.187 17.313 1.00 0.00 H new ATOM 0 HG SER A 415 -14.153 -1.873 17.295 1.00 0.00 H new ATOM 30 N GLY A 416 -11.025 0.658 15.885 1.00 0.00 N ATOM 31 CA GLY A 416 -10.552 0.931 14.540 1.00 0.00 C ATOM 32 C GLY A 416 -11.422 1.938 13.813 1.00 0.00 C ATOM 33 O GLY A 416 -12.613 1.706 13.609 1.00 0.00 O ATOM 0 H GLY A 416 -11.667 1.355 16.264 1.00 0.00 H new ATOM 0 HA2 GLY A 416 -9.529 1.306 14.587 1.00 0.00 H new ATOM 0 HA3 GLY A 416 -10.525 0.001 13.972 1.00 0.00 H new ATOM 37 N SER A 417 -10.826 3.060 13.422 1.00 0.00 N ATOM 38 CA SER A 417 -11.556 4.108 12.718 1.00 0.00 C ATOM 39 C SER A 417 -12.243 3.550 11.476 1.00 0.00 C ATOM 40 O SER A 417 -11.896 2.473 10.992 1.00 0.00 O ATOM 41 CB SER A 417 -10.608 5.243 12.325 1.00 0.00 C ATOM 42 OG SER A 417 -9.972 5.794 13.465 1.00 0.00 O ATOM 0 H SER A 417 -9.840 3.267 13.581 1.00 0.00 H new ATOM 0 HA SER A 417 -12.320 4.499 13.390 1.00 0.00 H new ATOM 0 HB2 SER A 417 -9.856 4.869 11.630 1.00 0.00 H new ATOM 0 HB3 SER A 417 -11.164 6.022 11.803 1.00 0.00 H new ATOM 0 HG SER A 417 -9.370 6.516 13.187 1.00 0.00 H new ATOM 48 N SER A 418 -13.220 4.293 10.965 1.00 0.00 N ATOM 49 CA SER A 418 -13.960 3.872 9.780 1.00 0.00 C ATOM 50 C SER A 418 -13.102 4.009 8.527 1.00 0.00 C ATOM 51 O SER A 418 -12.606 5.091 8.215 1.00 0.00 O ATOM 52 CB SER A 418 -15.237 4.701 9.631 1.00 0.00 C ATOM 53 OG SER A 418 -16.204 4.011 8.857 1.00 0.00 O ATOM 0 H SER A 418 -13.517 5.188 11.352 1.00 0.00 H new ATOM 0 HA SER A 418 -14.228 2.823 9.902 1.00 0.00 H new ATOM 0 HB2 SER A 418 -15.647 4.924 10.616 1.00 0.00 H new ATOM 0 HB3 SER A 418 -15.002 5.655 9.159 1.00 0.00 H new ATOM 0 HG SER A 418 -17.012 4.560 8.777 1.00 0.00 H new ATOM 59 N GLY A 419 -12.930 2.902 7.810 1.00 0.00 N ATOM 60 CA GLY A 419 -12.132 2.918 6.599 1.00 0.00 C ATOM 61 C GLY A 419 -11.425 1.600 6.352 1.00 0.00 C ATOM 62 O GLY A 419 -11.864 0.553 6.829 1.00 0.00 O ATOM 0 H GLY A 419 -13.330 1.994 8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -12.773 3.148 5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -11.393 3.716 6.665 1.00 0.00 H new ATOM 66 N PHE A 420 -10.328 1.649 5.604 1.00 0.00 N ATOM 67 CA PHE A 420 -9.561 0.449 5.292 1.00 0.00 C ATOM 68 C PHE A 420 -8.654 0.065 6.457 1.00 0.00 C ATOM 69 O PHE A 420 -8.257 0.915 7.253 1.00 0.00 O ATOM 70 CB PHE A 420 -8.724 0.666 4.030 1.00 0.00 C ATOM 71 CG PHE A 420 -9.547 0.792 2.779 1.00 0.00 C ATOM 72 CD1 PHE A 420 -10.224 -0.303 2.267 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.642 2.004 2.115 1.00 0.00 C ATOM 74 CE1 PHE A 420 -10.982 -0.191 1.117 1.00 0.00 C ATOM 75 CE2 PHE A 420 -10.399 2.122 0.965 1.00 0.00 C ATOM 76 CZ PHE A 420 -11.069 1.023 0.464 1.00 0.00 C ATOM 0 H PHE A 420 -9.950 2.507 5.203 1.00 0.00 H new ATOM 0 HA PHE A 420 -10.264 -0.366 5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -8.123 1.567 4.153 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -8.030 -0.167 3.916 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -10.159 -1.255 2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -9.119 2.866 2.500 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -11.506 -1.052 0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -10.467 3.073 0.458 1.00 0.00 H new ATOM 0 HZ PHE A 420 -11.659 1.113 -0.436 1.00 0.00 H new ATOM 86 N GLN A 421 -8.332 -1.221 6.550 1.00 0.00 N ATOM 87 CA GLN A 421 -7.473 -1.718 7.619 1.00 0.00 C ATOM 88 C GLN A 421 -6.216 -2.368 7.049 1.00 0.00 C ATOM 89 O GLN A 421 -6.245 -3.023 6.008 1.00 0.00 O ATOM 90 CB GLN A 421 -8.233 -2.723 8.487 1.00 0.00 C ATOM 91 CG GLN A 421 -9.062 -3.714 7.686 1.00 0.00 C ATOM 92 CD GLN A 421 -9.682 -4.791 8.554 1.00 0.00 C ATOM 93 OE1 GLN A 421 -10.903 -4.862 8.699 1.00 0.00 O ATOM 94 NE2 GLN A 421 -8.842 -5.638 9.137 1.00 0.00 N ATOM 0 H GLN A 421 -8.653 -1.938 5.899 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.174 -0.870 8.235 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -7.520 -3.272 9.102 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -8.889 -2.180 9.168 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -9.851 -3.179 7.158 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -8.432 -4.181 6.929 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -7.837 -5.543 8.989 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -9.201 -6.384 9.732 1.00 0.00 H new ATOM 103 N PRO A 422 -5.086 -2.183 7.748 1.00 0.00 N ATOM 104 CA PRO A 422 -3.798 -2.744 7.330 1.00 0.00 C ATOM 105 C PRO A 422 -3.753 -4.262 7.471 1.00 0.00 C ATOM 106 O PRO A 422 -4.544 -4.850 8.207 1.00 0.00 O ATOM 107 CB PRO A 422 -2.799 -2.088 8.287 1.00 0.00 C ATOM 108 CG PRO A 422 -3.600 -1.748 9.496 1.00 0.00 C ATOM 109 CD PRO A 422 -4.979 -1.413 8.998 1.00 0.00 C ATOM 0 HA PRO A 422 -3.591 -2.551 6.277 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -1.981 -2.766 8.532 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.353 -1.197 7.844 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.629 -2.586 10.193 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.162 -0.905 10.030 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.747 -1.703 9.715 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -5.094 -0.343 8.822 1.00 0.00 H new ATOM 117 N GLY A 423 -2.820 -4.890 6.762 1.00 0.00 N ATOM 118 CA GLY A 423 -2.690 -6.334 6.823 1.00 0.00 C ATOM 119 C GLY A 423 -3.114 -7.010 5.534 1.00 0.00 C ATOM 120 O GLY A 423 -2.529 -8.014 5.130 1.00 0.00 O ATOM 0 H GLY A 423 -2.152 -4.425 6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.654 -6.593 7.042 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -3.295 -6.716 7.646 1.00 0.00 H new ATOM 124 N ASP A 424 -4.136 -6.458 4.888 1.00 0.00 N ATOM 125 CA ASP A 424 -4.639 -7.014 3.637 1.00 0.00 C ATOM 126 C ASP A 424 -3.624 -6.831 2.513 1.00 0.00 C ATOM 127 O ASP A 424 -2.769 -5.948 2.574 1.00 0.00 O ATOM 128 CB ASP A 424 -5.964 -6.352 3.256 1.00 0.00 C ATOM 129 CG ASP A 424 -7.107 -6.788 4.152 1.00 0.00 C ATOM 130 OD1 ASP A 424 -7.178 -7.991 4.482 1.00 0.00 O ATOM 131 OD2 ASP A 424 -7.931 -5.926 4.523 1.00 0.00 O ATOM 0 H ASP A 424 -4.632 -5.627 5.210 1.00 0.00 H new ATOM 0 HA ASP A 424 -4.803 -8.082 3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -5.855 -5.269 3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -6.204 -6.595 2.221 1.00 0.00 H new ATOM 136 N ASN A 425 -3.723 -7.673 1.490 1.00 0.00 N ATOM 137 CA ASN A 425 -2.812 -7.605 0.353 1.00 0.00 C ATOM 138 C ASN A 425 -3.436 -6.820 -0.798 1.00 0.00 C ATOM 139 O ASN A 425 -4.488 -7.190 -1.318 1.00 0.00 O ATOM 140 CB ASN A 425 -2.444 -9.013 -0.117 1.00 0.00 C ATOM 141 CG ASN A 425 -1.086 -9.061 -0.792 1.00 0.00 C ATOM 142 OD1 ASN A 425 -0.923 -8.272 -1.848 1.00 0.00 O flip ATOM 143 ND2 ASN A 425 -0.196 -9.798 -0.369 1.00 0.00 N flip ATOM 0 H ASN A 425 -4.425 -8.410 1.425 1.00 0.00 H new ATOM 0 HA ASN A 425 -1.908 -7.088 0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -2.446 -9.690 0.737 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -3.204 -9.372 -0.811 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -0.366 -10.387 0.446 1.00 0.00 H new ATOM 0 HD22 ASN A 425 0.712 -9.820 -0.833 1.00 0.00 H new ATOM 150 N VAL A 426 -2.778 -5.733 -1.190 1.00 0.00 N ATOM 151 CA VAL A 426 -3.266 -4.897 -2.280 1.00 0.00 C ATOM 152 C VAL A 426 -2.147 -4.565 -3.261 1.00 0.00 C ATOM 153 O VAL A 426 -0.988 -4.908 -3.034 1.00 0.00 O ATOM 154 CB VAL A 426 -3.876 -3.585 -1.751 1.00 0.00 C ATOM 155 CG1 VAL A 426 -5.130 -3.869 -0.938 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.855 -2.820 -0.922 1.00 0.00 C ATOM 0 H VAL A 426 -1.906 -5.411 -0.769 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.039 -5.467 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 426 -4.157 -2.965 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -5.547 -2.931 -0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.865 -4.372 -1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -4.878 -4.508 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -3.302 -1.896 -0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -2.542 -3.431 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.988 -2.584 -1.539 1.00 0.00 H new ATOM 166 N GLU A 427 -2.504 -3.894 -4.352 1.00 0.00 N ATOM 167 CA GLU A 427 -1.529 -3.516 -5.368 1.00 0.00 C ATOM 168 C GLU A 427 -1.882 -2.165 -5.984 1.00 0.00 C ATOM 169 O GLU A 427 -3.023 -1.712 -5.903 1.00 0.00 O ATOM 170 CB GLU A 427 -1.458 -4.584 -6.461 1.00 0.00 C ATOM 171 CG GLU A 427 -0.869 -4.080 -7.768 1.00 0.00 C ATOM 172 CD GLU A 427 -0.813 -5.155 -8.836 1.00 0.00 C ATOM 173 OE1 GLU A 427 0.024 -6.073 -8.710 1.00 0.00 O ATOM 174 OE2 GLU A 427 -1.606 -5.078 -9.798 1.00 0.00 O ATOM 0 H GLU A 427 -3.460 -3.601 -4.554 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.554 -3.434 -4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -0.859 -5.421 -6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.461 -4.967 -6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -1.465 -3.243 -8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 427 0.137 -3.701 -7.587 1.00 0.00 H new ATOM 181 N VAL A 428 -0.892 -1.526 -6.601 1.00 0.00 N ATOM 182 CA VAL A 428 -1.097 -0.227 -7.231 1.00 0.00 C ATOM 183 C VAL A 428 -1.825 -0.371 -8.563 1.00 0.00 C ATOM 184 O VAL A 428 -1.479 -1.222 -9.383 1.00 0.00 O ATOM 185 CB VAL A 428 0.241 0.499 -7.467 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.016 1.803 -8.217 1.00 0.00 C ATOM 187 CG2 VAL A 428 0.951 0.750 -6.145 1.00 0.00 C ATOM 0 H VAL A 428 0.059 -1.887 -6.678 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.708 0.363 -6.548 1.00 0.00 H new ATOM 0 HB VAL A 428 0.878 -0.139 -8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 428 0.972 2.302 -8.375 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -0.447 1.593 -9.181 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.639 2.450 -7.633 1.00 0.00 H new ATOM 0 HG21 VAL A 428 1.894 1.264 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.321 1.368 -5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.147 -0.202 -5.651 1.00 0.00 H new ATOM 197 N CYS A 429 -2.836 0.465 -8.771 1.00 0.00 N ATOM 198 CA CYS A 429 -3.615 0.431 -10.004 1.00 0.00 C ATOM 199 C CYS A 429 -3.084 1.446 -11.011 1.00 0.00 C ATOM 200 O CYS A 429 -2.933 1.141 -12.193 1.00 0.00 O ATOM 201 CB CYS A 429 -5.089 0.712 -9.708 1.00 0.00 C ATOM 202 SG CYS A 429 -6.228 0.067 -10.955 1.00 0.00 S ATOM 0 H CYS A 429 -3.136 1.174 -8.102 1.00 0.00 H new ATOM 0 HA CYS A 429 -3.522 -0.565 -10.436 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -5.343 0.279 -8.741 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -5.233 1.789 -9.623 1.00 0.00 H new ATOM 0 HG CYS A 429 -5.657 0.100 -12.122 1.00 0.00 H new ATOM 208 N GLU A 430 -2.803 2.655 -10.534 1.00 0.00 N ATOM 209 CA GLU A 430 -2.291 3.715 -11.394 1.00 0.00 C ATOM 210 C GLU A 430 -1.116 4.432 -10.734 1.00 0.00 C ATOM 211 O GLU A 430 -0.925 4.346 -9.521 1.00 0.00 O ATOM 212 CB GLU A 430 -3.399 4.719 -11.717 1.00 0.00 C ATOM 213 CG GLU A 430 -3.090 5.602 -12.915 1.00 0.00 C ATOM 214 CD GLU A 430 -2.433 4.838 -14.048 1.00 0.00 C ATOM 215 OE1 GLU A 430 -2.870 3.703 -14.331 1.00 0.00 O ATOM 216 OE2 GLU A 430 -1.481 5.376 -14.652 1.00 0.00 O ATOM 0 H GLU A 430 -2.921 2.924 -9.557 1.00 0.00 H new ATOM 0 HA GLU A 430 -1.942 3.259 -12.321 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -4.326 4.177 -11.905 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -3.571 5.351 -10.845 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -4.013 6.056 -13.275 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -2.435 6.416 -12.603 1.00 0.00 H new ATOM 223 N GLY A 431 -0.332 5.139 -11.542 1.00 0.00 N ATOM 224 CA GLY A 431 0.814 5.859 -11.019 1.00 0.00 C ATOM 225 C GLY A 431 2.130 5.294 -11.515 1.00 0.00 C ATOM 226 O GLY A 431 2.154 4.478 -12.436 1.00 0.00 O ATOM 0 H GLY A 431 -0.470 5.226 -12.549 1.00 0.00 H new ATOM 0 HA2 GLY A 431 0.742 6.908 -11.306 1.00 0.00 H new ATOM 0 HA3 GLY A 431 0.795 5.824 -9.930 1.00 0.00 H new ATOM 230 N GLU A 432 3.227 5.729 -10.904 1.00 0.00 N ATOM 231 CA GLU A 432 4.553 5.262 -11.291 1.00 0.00 C ATOM 232 C GLU A 432 4.848 3.895 -10.681 1.00 0.00 C ATOM 233 O GLU A 432 5.548 3.074 -11.276 1.00 0.00 O ATOM 234 CB GLU A 432 5.621 6.268 -10.856 1.00 0.00 C ATOM 235 CG GLU A 432 7.041 5.743 -10.986 1.00 0.00 C ATOM 236 CD GLU A 432 7.561 5.816 -12.409 1.00 0.00 C ATOM 237 OE1 GLU A 432 7.104 6.699 -13.164 1.00 0.00 O ATOM 238 OE2 GLU A 432 8.427 4.989 -12.766 1.00 0.00 O ATOM 0 H GLU A 432 3.224 6.404 -10.139 1.00 0.00 H new ATOM 0 HA GLU A 432 4.574 5.169 -12.377 1.00 0.00 H new ATOM 0 HB2 GLU A 432 5.521 7.173 -11.455 1.00 0.00 H new ATOM 0 HB3 GLU A 432 5.441 6.551 -9.819 1.00 0.00 H new ATOM 0 HG2 GLU A 432 7.698 6.317 -10.333 1.00 0.00 H new ATOM 0 HG3 GLU A 432 7.075 4.709 -10.643 1.00 0.00 H new ATOM 245 N LEU A 433 4.311 3.657 -9.489 1.00 0.00 N ATOM 246 CA LEU A 433 4.516 2.390 -8.796 1.00 0.00 C ATOM 247 C LEU A 433 3.471 1.362 -9.219 1.00 0.00 C ATOM 248 O LEU A 433 3.186 0.415 -8.487 1.00 0.00 O ATOM 249 CB LEU A 433 4.457 2.600 -7.282 1.00 0.00 C ATOM 250 CG LEU A 433 5.138 3.862 -6.752 1.00 0.00 C ATOM 251 CD1 LEU A 433 4.627 4.200 -5.360 1.00 0.00 C ATOM 252 CD2 LEU A 433 6.650 3.688 -6.740 1.00 0.00 C ATOM 0 H LEU A 433 3.730 4.325 -8.982 1.00 0.00 H new ATOM 0 HA LEU A 433 5.502 2.011 -9.067 1.00 0.00 H new ATOM 0 HB2 LEU A 433 3.410 2.622 -6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 433 4.911 1.736 -6.798 1.00 0.00 H new ATOM 0 HG LEU A 433 4.893 4.690 -7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 433 5.123 5.101 -4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 433 3.551 4.369 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 433 4.840 3.373 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 433 7.118 4.596 -6.360 1.00 0.00 H new ATOM 0 HD22 LEU A 433 6.914 2.848 -6.098 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.002 3.495 -7.753 1.00 0.00 H new ATOM 264 N ILE A 434 2.906 1.556 -10.406 1.00 0.00 N ATOM 265 CA ILE A 434 1.896 0.644 -10.928 1.00 0.00 C ATOM 266 C ILE A 434 2.408 -0.793 -10.943 1.00 0.00 C ATOM 267 O ILE A 434 3.614 -1.033 -10.911 1.00 0.00 O ATOM 268 CB ILE A 434 1.464 1.038 -12.353 1.00 0.00 C ATOM 269 CG1 ILE A 434 0.399 0.070 -12.872 1.00 0.00 C ATOM 270 CG2 ILE A 434 2.667 1.059 -13.284 1.00 0.00 C ATOM 271 CD1 ILE A 434 -0.280 0.542 -14.139 1.00 0.00 C ATOM 0 H ILE A 434 3.130 2.336 -11.024 1.00 0.00 H new ATOM 0 HA ILE A 434 1.035 0.714 -10.264 1.00 0.00 H new ATOM 0 HB ILE A 434 1.035 2.039 -12.323 1.00 0.00 H new ATOM 0 HG12 ILE A 434 0.860 -0.900 -13.056 1.00 0.00 H new ATOM 0 HG13 ILE A 434 -0.355 -0.077 -12.098 1.00 0.00 H new ATOM 0 HG21 ILE A 434 2.346 1.339 -14.287 1.00 0.00 H new ATOM 0 HG22 ILE A 434 3.396 1.784 -12.921 1.00 0.00 H new ATOM 0 HG23 ILE A 434 3.123 0.069 -13.312 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -1.023 -0.193 -14.449 1.00 0.00 H new ATOM 0 HD12 ILE A 434 -0.770 1.498 -13.955 1.00 0.00 H new ATOM 0 HD13 ILE A 434 0.463 0.662 -14.927 1.00 0.00 H new ATOM 283 N ASN A 435 1.481 -1.745 -10.994 1.00 0.00 N ATOM 284 CA ASN A 435 1.838 -3.159 -11.014 1.00 0.00 C ATOM 285 C ASN A 435 2.701 -3.519 -9.809 1.00 0.00 C ATOM 286 O ASN A 435 3.551 -4.408 -9.884 1.00 0.00 O ATOM 287 CB ASN A 435 2.581 -3.499 -12.308 1.00 0.00 C ATOM 288 CG ASN A 435 1.665 -3.508 -13.516 1.00 0.00 C ATOM 289 OD1 ASN A 435 1.811 -2.507 -14.377 1.00 0.00 O flip ATOM 290 ND2 ASN A 435 0.835 -4.404 -13.673 1.00 0.00 N flip ATOM 0 H ASN A 435 0.478 -1.563 -11.022 1.00 0.00 H new ATOM 0 HA ASN A 435 0.918 -3.742 -10.966 1.00 0.00 H new ATOM 0 HB2 ASN A 435 3.379 -2.774 -12.466 1.00 0.00 H new ATOM 0 HB3 ASN A 435 3.053 -4.476 -12.206 1.00 0.00 H new ATOM 0 HD21 ASN A 435 0.758 -5.154 -12.986 1.00 0.00 H new ATOM 0 HD22 ASN A 435 0.225 -4.396 -14.490 1.00 0.00 H new ATOM 297 N LEU A 436 2.477 -2.825 -8.699 1.00 0.00 N ATOM 298 CA LEU A 436 3.233 -3.072 -7.476 1.00 0.00 C ATOM 299 C LEU A 436 2.327 -3.618 -6.377 1.00 0.00 C ATOM 300 O LEU A 436 1.450 -2.915 -5.876 1.00 0.00 O ATOM 301 CB LEU A 436 3.909 -1.785 -7.002 1.00 0.00 C ATOM 302 CG LEU A 436 4.750 -1.897 -5.730 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.084 -2.564 -6.030 1.00 0.00 C ATOM 304 CD2 LEU A 436 4.965 -0.525 -5.110 1.00 0.00 C ATOM 0 H LEU A 436 1.778 -2.087 -8.620 1.00 0.00 H new ATOM 0 HA LEU A 436 3.998 -3.817 -7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.548 -1.417 -7.805 1.00 0.00 H new ATOM 0 HB3 LEU A 436 3.138 -1.032 -6.838 1.00 0.00 H new ATOM 0 HG LEU A 436 4.210 -2.516 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 436 6.669 -2.635 -5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 436 5.910 -3.564 -6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 436 6.630 -1.972 -6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 436 5.566 -0.624 -4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 436 5.483 0.118 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.000 -0.084 -4.858 1.00 0.00 H new ATOM 316 N GLN A 437 2.548 -4.875 -6.005 1.00 0.00 N ATOM 317 CA GLN A 437 1.752 -5.515 -4.964 1.00 0.00 C ATOM 318 C GLN A 437 2.491 -5.504 -3.630 1.00 0.00 C ATOM 319 O GLN A 437 3.703 -5.295 -3.582 1.00 0.00 O ATOM 320 CB GLN A 437 1.414 -6.952 -5.361 1.00 0.00 C ATOM 321 CG GLN A 437 2.618 -7.754 -5.827 1.00 0.00 C ATOM 322 CD GLN A 437 2.982 -7.475 -7.272 1.00 0.00 C ATOM 323 OE1 GLN A 437 3.950 -6.768 -7.555 1.00 0.00 O ATOM 324 NE2 GLN A 437 2.207 -8.030 -8.196 1.00 0.00 N ATOM 0 H GLN A 437 3.271 -5.470 -6.409 1.00 0.00 H new ATOM 0 HA GLN A 437 0.827 -4.950 -4.851 1.00 0.00 H new ATOM 0 HB2 GLN A 437 0.959 -7.458 -4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 437 0.669 -6.935 -6.157 1.00 0.00 H new ATOM 0 HG2 GLN A 437 3.472 -7.523 -5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 437 2.410 -8.817 -5.708 1.00 0.00 H new ATOM 0 HE21 GLN A 437 1.415 -8.609 -7.917 1.00 0.00 H new ATOM 0 HE22 GLN A 437 2.404 -7.878 -9.185 1.00 0.00 H new ATOM 333 N GLY A 438 1.753 -5.730 -2.547 1.00 0.00 N ATOM 334 CA GLY A 438 2.356 -5.741 -1.227 1.00 0.00 C ATOM 335 C GLY A 438 1.323 -5.797 -0.119 1.00 0.00 C ATOM 336 O GLY A 438 0.120 -5.821 -0.381 1.00 0.00 O ATOM 0 H GLY A 438 0.748 -5.906 -2.561 1.00 0.00 H new ATOM 0 HA2 GLY A 438 3.022 -6.600 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 438 2.969 -4.848 -1.103 1.00 0.00 H new ATOM 340 N LYS A 439 1.792 -5.819 1.124 1.00 0.00 N ATOM 341 CA LYS A 439 0.902 -5.873 2.277 1.00 0.00 C ATOM 342 C LYS A 439 0.755 -4.496 2.916 1.00 0.00 C ATOM 343 O LYS A 439 1.686 -3.690 2.897 1.00 0.00 O ATOM 344 CB LYS A 439 1.431 -6.872 3.309 1.00 0.00 C ATOM 345 CG LYS A 439 0.903 -8.283 3.117 1.00 0.00 C ATOM 346 CD LYS A 439 1.751 -9.302 3.859 1.00 0.00 C ATOM 347 CE LYS A 439 1.403 -9.346 5.338 1.00 0.00 C ATOM 348 NZ LYS A 439 0.181 -10.157 5.597 1.00 0.00 N ATOM 0 H LYS A 439 2.785 -5.800 1.358 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.079 -6.201 1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 439 2.520 -6.891 3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 439 1.164 -6.526 4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -0.126 -8.338 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 439 0.888 -8.525 2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 439 1.603 -10.289 3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 439 2.806 -9.055 3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 439 2.241 -9.764 5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 439 1.250 -8.331 5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 -0.023 -10.162 6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 -0.625 -9.744 5.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 0.336 -11.132 5.270 1.00 0.00 H new ATOM 362 N ILE A 440 -0.418 -4.233 3.481 1.00 0.00 N ATOM 363 CA ILE A 440 -0.685 -2.954 4.127 1.00 0.00 C ATOM 364 C ILE A 440 -0.237 -2.971 5.585 1.00 0.00 C ATOM 365 O ILE A 440 -0.474 -3.940 6.307 1.00 0.00 O ATOM 366 CB ILE A 440 -2.181 -2.593 4.066 1.00 0.00 C ATOM 367 CG1 ILE A 440 -2.697 -2.708 2.630 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.410 -1.189 4.606 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.206 -2.723 2.529 1.00 0.00 C ATOM 0 H ILE A 440 -1.199 -4.889 3.505 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.116 -2.201 3.582 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.735 -3.295 4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.310 -1.873 2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.302 -3.620 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.472 -0.949 4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -2.075 -1.138 5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -1.847 -0.473 4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.500 -2.806 1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.599 -3.574 3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.608 -1.800 2.946 1.00 0.00 H new ATOM 381 N LEU A 441 0.409 -1.891 6.012 1.00 0.00 N ATOM 382 CA LEU A 441 0.888 -1.780 7.386 1.00 0.00 C ATOM 383 C LEU A 441 -0.080 -0.965 8.236 1.00 0.00 C ATOM 384 O LEU A 441 -0.493 -1.398 9.312 1.00 0.00 O ATOM 385 CB LEU A 441 2.275 -1.136 7.412 1.00 0.00 C ATOM 386 CG LEU A 441 3.450 -2.057 7.080 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.729 -1.252 6.910 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.622 -3.112 8.163 1.00 0.00 C ATOM 0 H LEU A 441 0.613 -1.081 5.427 1.00 0.00 H new ATOM 0 HA LEU A 441 0.952 -2.784 7.805 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.281 -0.305 6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.439 -0.714 8.404 1.00 0.00 H new ATOM 0 HG LEU A 441 3.236 -2.562 6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.554 -1.925 6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.602 -0.535 6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 441 4.949 -0.719 7.835 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.462 -3.759 7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.814 -2.624 9.119 1.00 0.00 H new ATOM 0 HD23 LEU A 441 2.713 -3.710 8.236 1.00 0.00 H new ATOM 400 N SER A 442 -0.440 0.217 7.746 1.00 0.00 N ATOM 401 CA SER A 442 -1.359 1.094 8.461 1.00 0.00 C ATOM 402 C SER A 442 -2.167 1.945 7.487 1.00 0.00 C ATOM 403 O SER A 442 -1.923 1.929 6.280 1.00 0.00 O ATOM 404 CB SER A 442 -0.588 1.997 9.426 1.00 0.00 C ATOM 405 OG SER A 442 0.121 1.232 10.385 1.00 0.00 O ATOM 0 H SER A 442 -0.109 0.589 6.856 1.00 0.00 H new ATOM 0 HA SER A 442 -2.049 0.470 9.030 1.00 0.00 H new ATOM 0 HB2 SER A 442 0.109 2.621 8.867 1.00 0.00 H new ATOM 0 HB3 SER A 442 -1.281 2.669 9.933 1.00 0.00 H new ATOM 0 HG SER A 442 0.606 1.832 10.988 1.00 0.00 H new ATOM 411 N VAL A 443 -3.132 2.688 8.020 1.00 0.00 N ATOM 412 CA VAL A 443 -3.977 3.547 7.199 1.00 0.00 C ATOM 413 C VAL A 443 -3.982 4.978 7.725 1.00 0.00 C ATOM 414 O VAL A 443 -4.429 5.239 8.842 1.00 0.00 O ATOM 415 CB VAL A 443 -5.426 3.026 7.148 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.315 3.994 6.383 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.471 1.640 6.525 1.00 0.00 C ATOM 0 H VAL A 443 -3.348 2.712 9.017 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.558 3.534 6.193 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.804 2.953 8.168 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.334 3.609 6.358 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.306 4.965 6.878 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.943 4.103 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.502 1.287 6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.075 1.684 5.511 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.869 0.954 7.120 1.00 0.00 H new ATOM 427 N ASP A 444 -3.481 5.903 6.913 1.00 0.00 N ATOM 428 CA ASP A 444 -3.428 7.309 7.295 1.00 0.00 C ATOM 429 C ASP A 444 -4.424 8.131 6.482 1.00 0.00 C ATOM 430 O ASP A 444 -4.056 8.779 5.503 1.00 0.00 O ATOM 431 CB ASP A 444 -2.015 7.860 7.100 1.00 0.00 C ATOM 432 CG ASP A 444 -0.971 7.055 7.851 1.00 0.00 C ATOM 433 OD1 ASP A 444 -0.851 5.842 7.580 1.00 0.00 O ATOM 434 OD2 ASP A 444 -0.276 7.638 8.709 1.00 0.00 O ATOM 0 H ASP A 444 -3.106 5.704 5.986 1.00 0.00 H new ATOM 0 HA ASP A 444 -3.697 7.384 8.349 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -1.773 7.863 6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -1.982 8.896 7.437 1.00 0.00 H new ATOM 439 N GLY A 445 -5.687 8.097 6.895 1.00 0.00 N ATOM 440 CA GLY A 445 -6.717 8.842 6.193 1.00 0.00 C ATOM 441 C GLY A 445 -6.626 8.680 4.689 1.00 0.00 C ATOM 442 O GLY A 445 -6.886 7.601 4.158 1.00 0.00 O ATOM 0 H GLY A 445 -6.016 7.567 7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.698 8.509 6.533 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.634 9.899 6.447 1.00 0.00 H new ATOM 446 N ASN A 446 -6.258 9.755 4.000 1.00 0.00 N ATOM 447 CA ASN A 446 -6.136 9.728 2.547 1.00 0.00 C ATOM 448 C ASN A 446 -4.897 8.946 2.120 1.00 0.00 C ATOM 449 O ASN A 446 -4.883 8.311 1.065 1.00 0.00 O ATOM 450 CB ASN A 446 -6.070 11.152 1.993 1.00 0.00 C ATOM 451 CG ASN A 446 -6.351 11.207 0.504 1.00 0.00 C ATOM 452 OD1 ASN A 446 -6.655 10.189 -0.120 1.00 0.00 O ATOM 453 ND2 ASN A 446 -6.251 12.398 -0.074 1.00 0.00 N ATOM 0 H ASN A 446 -6.039 10.656 4.425 1.00 0.00 H new ATOM 0 HA ASN A 446 -7.017 9.229 2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -6.791 11.777 2.519 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -5.083 11.570 2.189 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -6.429 12.496 -1.074 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -5.996 13.215 0.481 1.00 0.00 H new ATOM 460 N LYS A 447 -3.858 8.997 2.946 1.00 0.00 N ATOM 461 CA LYS A 447 -2.614 8.293 2.657 1.00 0.00 C ATOM 462 C LYS A 447 -2.600 6.919 3.319 1.00 0.00 C ATOM 463 O LYS A 447 -3.142 6.740 4.410 1.00 0.00 O ATOM 464 CB LYS A 447 -1.416 9.115 3.137 1.00 0.00 C ATOM 465 CG LYS A 447 -1.364 10.515 2.550 1.00 0.00 C ATOM 466 CD LYS A 447 -0.504 11.442 3.393 1.00 0.00 C ATOM 467 CE LYS A 447 -1.293 12.035 4.551 1.00 0.00 C ATOM 468 NZ LYS A 447 -2.218 13.110 4.098 1.00 0.00 N ATOM 0 H LYS A 447 -3.853 9.519 3.822 1.00 0.00 H new ATOM 0 HA LYS A 447 -2.544 8.157 1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.448 9.187 4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.498 8.588 2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -0.967 10.471 1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -2.374 10.919 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 447 0.354 10.892 3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -0.113 12.245 2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -1.864 11.247 5.042 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -0.603 12.438 5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -2.597 13.613 4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -1.702 13.779 3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -3.002 12.689 3.560 1.00 0.00 H new ATOM 482 N ILE A 448 -1.975 5.953 2.654 1.00 0.00 N ATOM 483 CA ILE A 448 -1.888 4.597 3.180 1.00 0.00 C ATOM 484 C ILE A 448 -0.442 4.117 3.226 1.00 0.00 C ATOM 485 O ILE A 448 0.195 3.927 2.189 1.00 0.00 O ATOM 486 CB ILE A 448 -2.718 3.612 2.335 1.00 0.00 C ATOM 487 CG1 ILE A 448 -4.058 4.241 1.948 1.00 0.00 C ATOM 488 CG2 ILE A 448 -2.937 2.314 3.099 1.00 0.00 C ATOM 489 CD1 ILE A 448 -4.898 4.654 3.136 1.00 0.00 C ATOM 0 H ILE A 448 -1.522 6.085 1.750 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.291 4.624 4.192 1.00 0.00 H new ATOM 0 HB ILE A 448 -2.167 3.386 1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -3.873 5.115 1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.622 3.531 1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.525 1.628 2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -1.973 1.860 3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.470 2.523 4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -5.833 5.092 2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -5.114 3.780 3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.353 5.388 3.729 1.00 0.00 H new ATOM 501 N THR A 449 0.072 3.919 4.436 1.00 0.00 N ATOM 502 CA THR A 449 1.443 3.460 4.618 1.00 0.00 C ATOM 503 C THR A 449 1.530 1.940 4.538 1.00 0.00 C ATOM 504 O THR A 449 0.968 1.233 5.376 1.00 0.00 O ATOM 505 CB THR A 449 2.017 3.926 5.970 1.00 0.00 C ATOM 506 OG1 THR A 449 1.660 5.292 6.209 1.00 0.00 O ATOM 507 CG2 THR A 449 3.531 3.779 5.995 1.00 0.00 C ATOM 0 H THR A 449 -0.441 4.070 5.305 1.00 0.00 H new ATOM 0 HA THR A 449 2.032 3.897 3.812 1.00 0.00 H new ATOM 0 HB THR A 449 1.595 3.298 6.755 1.00 0.00 H new ATOM 0 HG1 THR A 449 0.805 5.328 6.687 1.00 0.00 H new ATOM 0 HG21 THR A 449 3.913 4.114 6.959 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.798 2.733 5.843 1.00 0.00 H new ATOM 0 HG23 THR A 449 3.968 4.384 5.201 1.00 0.00 H new ATOM 515 N ILE A 450 2.235 1.445 3.528 1.00 0.00 N ATOM 516 CA ILE A 450 2.396 0.008 3.341 1.00 0.00 C ATOM 517 C ILE A 450 3.842 -0.345 3.012 1.00 0.00 C ATOM 518 O ILE A 450 4.720 0.517 3.020 1.00 0.00 O ATOM 519 CB ILE A 450 1.482 -0.519 2.219 1.00 0.00 C ATOM 520 CG1 ILE A 450 1.969 -0.019 0.858 1.00 0.00 C ATOM 521 CG2 ILE A 450 0.043 -0.091 2.463 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.429 -0.818 -0.308 1.00 0.00 C ATOM 0 H ILE A 450 2.704 2.017 2.826 1.00 0.00 H new ATOM 0 HA ILE A 450 2.114 -0.466 4.281 1.00 0.00 H new ATOM 0 HB ILE A 450 1.521 -1.608 2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.679 1.025 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 450 3.058 -0.051 0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.591 -0.471 1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.299 -0.492 3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 450 -0.014 0.997 2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.816 -0.407 -1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.741 -1.858 -0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.340 -0.765 -0.312 1.00 0.00 H new ATOM 534 N MET A 451 4.083 -1.619 2.720 1.00 0.00 N ATOM 535 CA MET A 451 5.423 -2.086 2.384 1.00 0.00 C ATOM 536 C MET A 451 5.384 -3.037 1.192 1.00 0.00 C ATOM 537 O MET A 451 4.777 -4.106 1.239 1.00 0.00 O ATOM 538 CB MET A 451 6.059 -2.785 3.587 1.00 0.00 C ATOM 539 CG MET A 451 7.376 -3.472 3.265 1.00 0.00 C ATOM 540 SD MET A 451 8.469 -3.586 4.695 1.00 0.00 S ATOM 541 CE MET A 451 9.713 -2.370 4.268 1.00 0.00 C ATOM 0 H MET A 451 3.368 -2.346 2.709 1.00 0.00 H new ATOM 0 HA MET A 451 6.026 -1.219 2.115 1.00 0.00 H new ATOM 0 HB2 MET A 451 6.225 -2.052 4.377 1.00 0.00 H new ATOM 0 HB3 MET A 451 5.360 -3.524 3.979 1.00 0.00 H new ATOM 0 HG2 MET A 451 7.175 -4.474 2.885 1.00 0.00 H new ATOM 0 HG3 MET A 451 7.881 -2.925 2.469 1.00 0.00 H new ATOM 0 HE1 MET A 451 10.699 -2.834 4.294 1.00 0.00 H new ATOM 0 HE2 MET A 451 9.518 -1.987 3.266 1.00 0.00 H new ATOM 0 HE3 MET A 451 9.680 -1.549 4.984 1.00 0.00 H new ATOM 551 N PRO A 452 6.048 -2.640 0.095 1.00 0.00 N ATOM 552 CA PRO A 452 6.104 -3.443 -1.130 1.00 0.00 C ATOM 553 C PRO A 452 6.944 -4.704 -0.959 1.00 0.00 C ATOM 554 O PRO A 452 7.921 -4.714 -0.210 1.00 0.00 O ATOM 555 CB PRO A 452 6.757 -2.499 -2.143 1.00 0.00 C ATOM 556 CG PRO A 452 7.556 -1.551 -1.317 1.00 0.00 C ATOM 557 CD PRO A 452 6.794 -1.377 -0.032 1.00 0.00 C ATOM 0 HA PRO A 452 5.118 -3.797 -1.430 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.390 -3.045 -2.842 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.007 -1.974 -2.735 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.555 -1.944 -1.128 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.681 -0.597 -1.829 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.463 -1.219 0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 452 6.125 -0.518 -0.075 1.00 0.00 H new ATOM 565 N LYS A 453 6.558 -5.765 -1.658 1.00 0.00 N ATOM 566 CA LYS A 453 7.277 -7.032 -1.585 1.00 0.00 C ATOM 567 C LYS A 453 8.364 -7.103 -2.653 1.00 0.00 C ATOM 568 O LYS A 453 8.149 -7.647 -3.736 1.00 0.00 O ATOM 569 CB LYS A 453 6.306 -8.203 -1.752 1.00 0.00 C ATOM 570 CG LYS A 453 5.383 -8.402 -0.563 1.00 0.00 C ATOM 571 CD LYS A 453 4.405 -9.541 -0.800 1.00 0.00 C ATOM 572 CE LYS A 453 5.097 -10.894 -0.727 1.00 0.00 C ATOM 573 NZ LYS A 453 4.127 -12.001 -0.500 1.00 0.00 N ATOM 0 H LYS A 453 5.751 -5.773 -2.282 1.00 0.00 H new ATOM 0 HA LYS A 453 7.750 -7.097 -0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.704 -8.040 -2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 453 6.877 -9.117 -1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.976 -8.610 0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.831 -7.482 -0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 453 3.608 -9.498 -0.058 1.00 0.00 H new ATOM 0 HD3 LYS A 453 3.937 -9.423 -1.777 1.00 0.00 H new ATOM 0 HE2 LYS A 453 5.643 -11.073 -1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 453 5.831 -10.883 0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 4.637 -12.906 -0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 3.624 -11.843 0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 3.441 -12.028 -1.282 1.00 0.00 H new ATOM 587 N HIS A 454 9.532 -6.551 -2.339 1.00 0.00 N ATOM 588 CA HIS A 454 10.654 -6.554 -3.272 1.00 0.00 C ATOM 589 C HIS A 454 11.982 -6.497 -2.523 1.00 0.00 C ATOM 590 O HIS A 454 12.186 -5.635 -1.669 1.00 0.00 O ATOM 591 CB HIS A 454 10.546 -5.373 -4.236 1.00 0.00 C ATOM 592 CG HIS A 454 11.241 -5.601 -5.543 1.00 0.00 C ATOM 593 ND1 HIS A 454 12.291 -6.481 -5.693 1.00 0.00 N ATOM 594 CD2 HIS A 454 11.028 -5.058 -6.765 1.00 0.00 C ATOM 595 CE1 HIS A 454 12.696 -6.469 -6.951 1.00 0.00 C ATOM 596 NE2 HIS A 454 11.946 -5.614 -7.622 1.00 0.00 N ATOM 0 H HIS A 454 9.726 -6.096 -1.447 1.00 0.00 H new ATOM 0 HA HIS A 454 10.619 -7.482 -3.843 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.493 -5.164 -4.425 1.00 0.00 H new ATOM 0 HB3 HIS A 454 10.966 -4.487 -3.760 1.00 0.00 H new ATOM 0 HD2 HIS A 454 10.277 -4.325 -7.018 1.00 0.00 H new ATOM 0 HE1 HIS A 454 13.503 -7.058 -7.361 1.00 0.00 H new ATOM 0 HE2 HIS A 454 12.034 -5.401 -8.616 1.00 0.00 H new ATOM 604 N GLU A 455 12.881 -7.420 -2.851 1.00 0.00 N ATOM 605 CA GLU A 455 14.189 -7.474 -2.208 1.00 0.00 C ATOM 606 C GLU A 455 14.949 -6.166 -2.410 1.00 0.00 C ATOM 607 O GLU A 455 15.535 -5.625 -1.473 1.00 0.00 O ATOM 608 CB GLU A 455 15.006 -8.642 -2.762 1.00 0.00 C ATOM 609 CG GLU A 455 16.365 -8.802 -2.100 1.00 0.00 C ATOM 610 CD GLU A 455 16.974 -10.169 -2.343 1.00 0.00 C ATOM 611 OE1 GLU A 455 16.450 -11.159 -1.789 1.00 0.00 O ATOM 612 OE2 GLU A 455 17.975 -10.250 -3.086 1.00 0.00 O ATOM 0 H GLU A 455 12.728 -8.140 -3.557 1.00 0.00 H new ATOM 0 HA GLU A 455 14.034 -7.623 -1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 455 14.439 -9.564 -2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 455 15.148 -8.500 -3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 455 17.041 -8.035 -2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 455 16.264 -8.639 -1.027 1.00 0.00 H new ATOM 619 N ASP A 456 14.934 -5.665 -3.641 1.00 0.00 N ATOM 620 CA ASP A 456 15.621 -4.420 -3.967 1.00 0.00 C ATOM 621 C ASP A 456 15.285 -3.331 -2.953 1.00 0.00 C ATOM 622 O ASP A 456 16.163 -2.592 -2.506 1.00 0.00 O ATOM 623 CB ASP A 456 15.242 -3.958 -5.375 1.00 0.00 C ATOM 624 CG ASP A 456 16.266 -3.010 -5.969 1.00 0.00 C ATOM 625 OD1 ASP A 456 17.220 -3.495 -6.611 1.00 0.00 O ATOM 626 OD2 ASP A 456 16.112 -1.784 -5.790 1.00 0.00 O ATOM 0 H ASP A 456 14.454 -6.101 -4.428 1.00 0.00 H new ATOM 0 HA ASP A 456 16.694 -4.606 -3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 456 15.137 -4.828 -6.024 1.00 0.00 H new ATOM 0 HB3 ASP A 456 14.270 -3.465 -5.343 1.00 0.00 H new ATOM 631 N LEU A 457 14.009 -3.237 -2.595 1.00 0.00 N ATOM 632 CA LEU A 457 13.556 -2.238 -1.634 1.00 0.00 C ATOM 633 C LEU A 457 13.730 -2.739 -0.204 1.00 0.00 C ATOM 634 O LEU A 457 13.295 -3.839 0.137 1.00 0.00 O ATOM 635 CB LEU A 457 12.089 -1.885 -1.889 1.00 0.00 C ATOM 636 CG LEU A 457 11.798 -1.112 -3.176 1.00 0.00 C ATOM 637 CD1 LEU A 457 10.347 -1.295 -3.592 1.00 0.00 C ATOM 638 CD2 LEU A 457 12.122 0.364 -2.996 1.00 0.00 C ATOM 0 H LEU A 457 13.270 -3.840 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 457 14.166 -1.344 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 457 11.511 -2.809 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 457 11.726 -1.297 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 457 12.434 -1.509 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 457 10.159 -0.738 -4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 457 10.148 -2.353 -3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 457 9.693 -0.926 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 457 11.909 0.899 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 457 11.513 0.775 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 457 13.177 0.477 -2.746 1.00 0.00 H new ATOM 650 N LYS A 458 14.366 -1.924 0.629 1.00 0.00 N ATOM 651 CA LYS A 458 14.595 -2.281 2.024 1.00 0.00 C ATOM 652 C LYS A 458 13.987 -1.241 2.960 1.00 0.00 C ATOM 653 O LYS A 458 14.582 -0.883 3.976 1.00 0.00 O ATOM 654 CB LYS A 458 16.095 -2.415 2.299 1.00 0.00 C ATOM 655 CG LYS A 458 16.898 -1.191 1.894 1.00 0.00 C ATOM 656 CD LYS A 458 17.386 -1.293 0.459 1.00 0.00 C ATOM 657 CE LYS A 458 18.610 -2.190 0.349 1.00 0.00 C ATOM 658 NZ LYS A 458 19.873 -1.435 0.578 1.00 0.00 N ATOM 0 H LYS A 458 14.733 -1.010 0.362 1.00 0.00 H new ATOM 0 HA LYS A 458 14.110 -3.239 2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 458 16.246 -2.603 3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 458 16.478 -3.284 1.764 1.00 0.00 H new ATOM 0 HG2 LYS A 458 16.283 -0.298 2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 458 17.752 -1.078 2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 458 16.588 -1.686 -0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 458 17.628 -0.298 0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 458 18.534 -2.999 1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 458 18.636 -2.650 -0.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 20.684 -2.081 0.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 19.959 -0.679 -0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 19.860 -1.017 1.530 1.00 0.00 H new ATOM 672 N ASP A 459 12.799 -0.761 2.610 1.00 0.00 N ATOM 673 CA ASP A 459 12.109 0.237 3.420 1.00 0.00 C ATOM 674 C ASP A 459 10.628 0.299 3.060 1.00 0.00 C ATOM 675 O ASP A 459 10.223 -0.132 1.981 1.00 0.00 O ATOM 676 CB ASP A 459 12.751 1.612 3.230 1.00 0.00 C ATOM 677 CG ASP A 459 14.086 1.731 3.938 1.00 0.00 C ATOM 678 OD1 ASP A 459 14.111 1.616 5.181 1.00 0.00 O ATOM 679 OD2 ASP A 459 15.107 1.937 3.249 1.00 0.00 O ATOM 0 H ASP A 459 12.294 -1.046 1.771 1.00 0.00 H new ATOM 0 HA ASP A 459 12.198 -0.055 4.466 1.00 0.00 H new ATOM 0 HB2 ASP A 459 12.890 1.801 2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 459 12.075 2.380 3.605 1.00 0.00 H new ATOM 684 N MET A 460 9.825 0.837 3.972 1.00 0.00 N ATOM 685 CA MET A 460 8.388 0.955 3.751 1.00 0.00 C ATOM 686 C MET A 460 8.062 2.218 2.960 1.00 0.00 C ATOM 687 O MET A 460 8.849 3.165 2.931 1.00 0.00 O ATOM 688 CB MET A 460 7.644 0.970 5.087 1.00 0.00 C ATOM 689 CG MET A 460 7.464 2.363 5.667 1.00 0.00 C ATOM 690 SD MET A 460 6.900 2.336 7.380 1.00 0.00 S ATOM 691 CE MET A 460 8.457 2.496 8.251 1.00 0.00 C ATOM 0 H MET A 460 10.145 1.198 4.871 1.00 0.00 H new ATOM 0 HA MET A 460 8.063 0.091 3.172 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.664 0.512 4.953 1.00 0.00 H new ATOM 0 HB3 MET A 460 8.188 0.355 5.803 1.00 0.00 H new ATOM 0 HG2 MET A 460 8.410 2.901 5.609 1.00 0.00 H new ATOM 0 HG3 MET A 460 6.745 2.915 5.061 1.00 0.00 H new ATOM 0 HE1 MET A 460 8.275 2.495 9.326 1.00 0.00 H new ATOM 0 HE2 MET A 460 9.106 1.659 7.993 1.00 0.00 H new ATOM 0 HE3 MET A 460 8.939 3.431 7.966 1.00 0.00 H new ATOM 701 N LEU A 461 6.899 2.226 2.319 1.00 0.00 N ATOM 702 CA LEU A 461 6.469 3.373 1.527 1.00 0.00 C ATOM 703 C LEU A 461 5.018 3.732 1.831 1.00 0.00 C ATOM 704 O LEU A 461 4.274 2.926 2.389 1.00 0.00 O ATOM 705 CB LEU A 461 6.631 3.077 0.035 1.00 0.00 C ATOM 706 CG LEU A 461 8.055 2.792 -0.442 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.475 1.382 -0.055 1.00 0.00 C ATOM 708 CD2 LEU A 461 8.163 2.988 -1.948 1.00 0.00 C ATOM 0 H LEU A 461 6.236 1.451 2.332 1.00 0.00 H new ATOM 0 HA LEU A 461 7.098 4.223 1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 461 6.007 2.219 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 461 6.244 3.927 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 461 8.729 3.497 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.491 1.197 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.437 1.276 1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.798 0.662 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 461 9.184 2.781 -2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 461 7.478 2.307 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 461 7.905 4.016 -2.201 1.00 0.00 H new ATOM 720 N GLU A 462 4.624 4.946 1.460 1.00 0.00 N ATOM 721 CA GLU A 462 3.261 5.410 1.693 1.00 0.00 C ATOM 722 C GLU A 462 2.627 5.908 0.397 1.00 0.00 C ATOM 723 O GLU A 462 3.167 6.789 -0.273 1.00 0.00 O ATOM 724 CB GLU A 462 3.251 6.526 2.740 1.00 0.00 C ATOM 725 CG GLU A 462 2.044 7.444 2.639 1.00 0.00 C ATOM 726 CD GLU A 462 1.889 8.339 3.853 1.00 0.00 C ATOM 727 OE1 GLU A 462 2.569 9.386 3.908 1.00 0.00 O ATOM 728 OE2 GLU A 462 1.089 7.994 4.747 1.00 0.00 O ATOM 0 H GLU A 462 5.228 5.625 0.997 1.00 0.00 H new ATOM 0 HA GLU A 462 2.676 4.568 2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 462 3.276 6.080 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 462 4.159 7.120 2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 462 2.136 8.062 1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 462 1.143 6.842 2.519 1.00 0.00 H new ATOM 735 N PHE A 463 1.478 5.337 0.050 1.00 0.00 N ATOM 736 CA PHE A 463 0.771 5.721 -1.166 1.00 0.00 C ATOM 737 C PHE A 463 -0.681 6.080 -0.860 1.00 0.00 C ATOM 738 O PHE A 463 -1.280 5.587 0.095 1.00 0.00 O ATOM 739 CB PHE A 463 0.822 4.586 -2.191 1.00 0.00 C ATOM 740 CG PHE A 463 2.124 3.836 -2.190 1.00 0.00 C ATOM 741 CD1 PHE A 463 3.328 4.513 -2.295 1.00 0.00 C ATOM 742 CD2 PHE A 463 2.142 2.455 -2.086 1.00 0.00 C ATOM 743 CE1 PHE A 463 4.528 3.826 -2.294 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.339 1.763 -2.084 1.00 0.00 C ATOM 745 CZ PHE A 463 4.533 2.449 -2.190 1.00 0.00 C ATOM 0 H PHE A 463 1.017 4.607 0.593 1.00 0.00 H new ATOM 0 HA PHE A 463 1.265 6.599 -1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 463 0.010 3.888 -1.989 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.649 4.997 -3.186 1.00 0.00 H new ATOM 0 HD1 PHE A 463 3.329 5.590 -2.379 1.00 0.00 H new ATOM 0 HD2 PHE A 463 1.211 1.913 -2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 463 5.460 4.366 -2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.340 0.686 -2.000 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.469 1.910 -2.192 1.00 0.00 H new ATOM 755 N PRO A 464 -1.259 6.960 -1.691 1.00 0.00 N ATOM 756 CA PRO A 464 -2.647 7.405 -1.531 1.00 0.00 C ATOM 757 C PRO A 464 -3.650 6.300 -1.844 1.00 0.00 C ATOM 758 O PRO A 464 -3.428 5.483 -2.737 1.00 0.00 O ATOM 759 CB PRO A 464 -2.773 8.545 -2.544 1.00 0.00 C ATOM 760 CG PRO A 464 -1.742 8.248 -3.578 1.00 0.00 C ATOM 761 CD PRO A 464 -0.604 7.587 -2.851 1.00 0.00 C ATOM 0 HA PRO A 464 -2.864 7.703 -0.505 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -3.772 8.579 -2.979 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -2.596 9.513 -2.075 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.143 7.594 -4.352 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -1.411 9.161 -4.073 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.102 6.849 -3.477 1.00 0.00 H new ATOM 0 HD3 PRO A 464 0.151 8.311 -2.544 1.00 0.00 H new ATOM 769 N ALA A 465 -4.754 6.282 -1.105 1.00 0.00 N ATOM 770 CA ALA A 465 -5.792 5.279 -1.306 1.00 0.00 C ATOM 771 C ALA A 465 -6.136 5.134 -2.784 1.00 0.00 C ATOM 772 O ALA A 465 -6.546 4.064 -3.233 1.00 0.00 O ATOM 773 CB ALA A 465 -7.035 5.638 -0.506 1.00 0.00 C ATOM 0 H ALA A 465 -4.953 6.951 -0.361 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.410 4.321 -0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -7.802 4.880 -0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -6.785 5.683 0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.410 6.608 -0.832 1.00 0.00 H new ATOM 779 N GLN A 466 -5.967 6.217 -3.536 1.00 0.00 N ATOM 780 CA GLN A 466 -6.261 6.209 -4.964 1.00 0.00 C ATOM 781 C GLN A 466 -5.248 5.360 -5.724 1.00 0.00 C ATOM 782 O GLN A 466 -5.604 4.636 -6.653 1.00 0.00 O ATOM 783 CB GLN A 466 -6.263 7.637 -5.513 1.00 0.00 C ATOM 784 CG GLN A 466 -6.425 7.707 -7.023 1.00 0.00 C ATOM 785 CD GLN A 466 -7.073 8.999 -7.481 1.00 0.00 C ATOM 786 OE1 GLN A 466 -8.297 9.093 -7.576 1.00 0.00 O ATOM 787 NE2 GLN A 466 -6.254 10.004 -7.768 1.00 0.00 N ATOM 0 H GLN A 466 -5.628 7.111 -3.180 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.250 5.772 -5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -7.071 8.197 -5.043 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -5.330 8.127 -5.233 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -5.447 7.608 -7.494 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -7.028 6.863 -7.359 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -5.246 9.882 -7.675 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -6.633 10.898 -8.081 1.00 0.00 H new ATOM 796 N GLU A 467 -3.984 5.456 -5.323 1.00 0.00 N ATOM 797 CA GLU A 467 -2.919 4.696 -5.968 1.00 0.00 C ATOM 798 C GLU A 467 -3.020 3.214 -5.620 1.00 0.00 C ATOM 799 O GLU A 467 -2.720 2.349 -6.444 1.00 0.00 O ATOM 800 CB GLU A 467 -1.551 5.238 -5.549 1.00 0.00 C ATOM 801 CG GLU A 467 -1.030 6.342 -6.454 1.00 0.00 C ATOM 802 CD GLU A 467 0.370 6.790 -6.081 1.00 0.00 C ATOM 803 OE1 GLU A 467 1.176 5.932 -5.664 1.00 0.00 O ATOM 804 OE2 GLU A 467 0.660 7.998 -6.206 1.00 0.00 O ATOM 0 H GLU A 467 -3.673 6.052 -4.556 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.031 4.806 -7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -1.617 5.617 -4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -0.832 4.418 -5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -1.033 5.992 -7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -1.706 7.196 -6.405 1.00 0.00 H new ATOM 811 N LEU A 468 -3.444 2.928 -4.394 1.00 0.00 N ATOM 812 CA LEU A 468 -3.584 1.550 -3.935 1.00 0.00 C ATOM 813 C LEU A 468 -5.001 1.038 -4.175 1.00 0.00 C ATOM 814 O LEU A 468 -5.972 1.783 -4.039 1.00 0.00 O ATOM 815 CB LEU A 468 -3.238 1.449 -2.449 1.00 0.00 C ATOM 816 CG LEU A 468 -1.752 1.536 -2.098 1.00 0.00 C ATOM 817 CD1 LEU A 468 -1.567 1.753 -0.605 1.00 0.00 C ATOM 818 CD2 LEU A 468 -1.023 0.279 -2.550 1.00 0.00 C ATOM 0 H LEU A 468 -3.697 3.631 -3.700 1.00 0.00 H new ATOM 0 HA LEU A 468 -2.892 0.931 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -3.763 2.244 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -3.626 0.503 -2.070 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.324 2.390 -2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.503 1.812 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -2.054 2.682 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -2.011 0.921 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 468 0.033 0.358 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.454 -0.590 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -1.126 0.167 -3.629 1.00 0.00 H new ATOM 830 N ARG A 469 -5.112 -0.237 -4.530 1.00 0.00 N ATOM 831 CA ARG A 469 -6.410 -0.849 -4.787 1.00 0.00 C ATOM 832 C ARG A 469 -6.446 -2.285 -4.271 1.00 0.00 C ATOM 833 O ARG A 469 -5.480 -3.033 -4.417 1.00 0.00 O ATOM 834 CB ARG A 469 -6.721 -0.826 -6.285 1.00 0.00 C ATOM 835 CG ARG A 469 -7.291 0.497 -6.768 1.00 0.00 C ATOM 836 CD ARG A 469 -8.059 0.330 -8.070 1.00 0.00 C ATOM 837 NE ARG A 469 -9.467 0.017 -7.840 1.00 0.00 N ATOM 838 CZ ARG A 469 -10.316 -0.305 -8.809 1.00 0.00 C ATOM 839 NH1 ARG A 469 -9.902 -0.358 -10.067 1.00 0.00 N ATOM 840 NH2 ARG A 469 -11.582 -0.577 -8.520 1.00 0.00 N ATOM 0 H ARG A 469 -4.318 -0.867 -4.646 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.167 -0.272 -4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -5.809 -1.043 -6.840 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -7.430 -1.622 -6.513 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -7.951 0.910 -6.005 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -6.482 1.213 -6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -7.983 1.246 -8.656 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -7.603 -0.465 -8.660 1.00 0.00 H new ATOM 0 HE ARG A 469 -9.817 0.047 -6.883 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -8.929 -0.151 -10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -10.556 -0.606 -10.809 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -11.904 -0.539 -7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -12.233 -0.824 -9.265 1.00 0.00 H new ATOM 854 N LYS A 470 -7.567 -2.662 -3.666 1.00 0.00 N ATOM 855 CA LYS A 470 -7.732 -4.008 -3.129 1.00 0.00 C ATOM 856 C LYS A 470 -8.085 -4.996 -4.235 1.00 0.00 C ATOM 857 O LYS A 470 -9.054 -4.802 -4.968 1.00 0.00 O ATOM 858 CB LYS A 470 -8.820 -4.020 -2.053 1.00 0.00 C ATOM 859 CG LYS A 470 -10.175 -3.552 -2.553 1.00 0.00 C ATOM 860 CD LYS A 470 -11.043 -3.040 -1.416 1.00 0.00 C ATOM 861 CE LYS A 470 -12.415 -2.610 -1.912 1.00 0.00 C ATOM 862 NZ LYS A 470 -13.272 -3.778 -2.257 1.00 0.00 N ATOM 0 H LYS A 470 -8.376 -2.054 -3.535 1.00 0.00 H new ATOM 0 HA LYS A 470 -6.785 -4.313 -2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 470 -8.917 -5.031 -1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 470 -8.508 -3.383 -1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 470 -10.038 -2.762 -3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 470 -10.682 -4.375 -3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 470 -11.155 -3.820 -0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 470 -10.550 -2.198 -0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 470 -12.907 -2.012 -1.145 1.00 0.00 H new ATOM 0 HE3 LYS A 470 -12.301 -1.972 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 -14.225 -3.447 -2.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 -12.857 -4.287 -3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 -13.333 -4.417 -1.439 1.00 0.00 H new ATOM 876 N TYR A 471 -7.293 -6.057 -4.349 1.00 0.00 N ATOM 877 CA TYR A 471 -7.522 -7.076 -5.367 1.00 0.00 C ATOM 878 C TYR A 471 -7.843 -8.423 -4.727 1.00 0.00 C ATOM 879 O TYR A 471 -8.274 -9.355 -5.403 1.00 0.00 O ATOM 880 CB TYR A 471 -6.295 -7.208 -6.271 1.00 0.00 C ATOM 881 CG TYR A 471 -5.140 -7.935 -5.622 1.00 0.00 C ATOM 882 CD1 TYR A 471 -5.085 -9.323 -5.612 1.00 0.00 C ATOM 883 CD2 TYR A 471 -4.104 -7.234 -5.017 1.00 0.00 C ATOM 884 CE1 TYR A 471 -4.031 -9.992 -5.019 1.00 0.00 C ATOM 885 CE2 TYR A 471 -3.045 -7.894 -4.424 1.00 0.00 C ATOM 886 CZ TYR A 471 -3.014 -9.273 -4.427 1.00 0.00 C ATOM 887 OH TYR A 471 -1.962 -9.935 -3.835 1.00 0.00 O ATOM 0 H TYR A 471 -6.487 -6.234 -3.749 1.00 0.00 H new ATOM 0 HA TYR A 471 -8.377 -6.767 -5.968 1.00 0.00 H new ATOM 0 HB2 TYR A 471 -6.580 -7.736 -7.181 1.00 0.00 H new ATOM 0 HB3 TYR A 471 -5.965 -6.213 -6.569 1.00 0.00 H new ATOM 0 HD1 TYR A 471 -5.879 -9.889 -6.076 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -4.127 -6.154 -5.010 1.00 0.00 H new ATOM 0 HE1 TYR A 471 -4.004 -11.072 -5.019 1.00 0.00 H new ATOM 0 HE2 TYR A 471 -2.246 -7.334 -3.961 1.00 0.00 H new ATOM 0 HH TYR A 471 -1.435 -9.302 -3.303 1.00 0.00 H new TER 897 TYR A 471