USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=12 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 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 38:sc= 0.145 USER MOD Single : A 421 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD Single : A 425 ASN : amide:sc= -0.412 K(o=-0.41,f=-3.1!) USER MOD Single : A 429 CYS SG : rot 180:sc= 0 USER MOD Single : A 435 ASN : amide:sc= -1.37 K(o=-1.4,f=-2.1) USER MOD Single : A 437 GLN : amide:sc= -1.04 K(o=-1,f=-1.9) USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 SER OG : rot 180:sc= -0.2 USER MOD Single : A 446 ASN :FLIP amide:sc= -0.281 F(o=-2.8!,f=-0.28) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 449 THR OG1 : rot 180:sc= 0 USER MOD Single : A 451 MET CE :methyl 144:sc= -0.137 (180deg=-0.83) USER MOD Single : A 453 LYS NZ :NH3+ 143:sc= -0.385 (180deg=-1.41!) USER MOD Single : A 454 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-5.2!) 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= -0.0371 X(o=-0.037,f=0) USER MOD Single : A 470 LYS NZ :NH3+ 148:sc= 1.58 (180deg=0.585) USER MOD Single : A 471 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 413 -19.659 0.697 22.482 1.00 0.00 N ATOM 2 CA GLY A 413 -18.211 0.725 22.378 1.00 0.00 C ATOM 3 C GLY A 413 -17.703 1.971 21.681 1.00 0.00 C ATOM 4 O GLY A 413 -18.395 2.988 21.631 1.00 0.00 O ATOM 0 HA2 GLY A 413 -17.777 0.669 23.376 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -17.872 -0.156 21.833 1.00 0.00 H new ATOM 8 N SER A 414 -16.491 1.894 21.143 1.00 0.00 N ATOM 9 CA SER A 414 -15.888 3.027 20.450 1.00 0.00 C ATOM 10 C SER A 414 -15.847 2.784 18.944 1.00 0.00 C ATOM 11 O SER A 414 -15.103 1.929 18.462 1.00 0.00 O ATOM 12 CB SER A 414 -14.474 3.280 20.976 1.00 0.00 C ATOM 13 OG SER A 414 -14.484 3.519 22.373 1.00 0.00 O ATOM 0 H SER A 414 -15.906 1.059 21.173 1.00 0.00 H new ATOM 0 HA SER A 414 -16.502 3.907 20.642 1.00 0.00 H new ATOM 0 HB2 SER A 414 -13.842 2.420 20.756 1.00 0.00 H new ATOM 0 HB3 SER A 414 -14.039 4.136 20.461 1.00 0.00 H new ATOM 0 HG SER A 414 -13.568 3.676 22.685 1.00 0.00 H new ATOM 19 N SER A 415 -16.652 3.541 18.207 1.00 0.00 N ATOM 20 CA SER A 415 -16.712 3.407 16.756 1.00 0.00 C ATOM 21 C SER A 415 -15.385 3.807 16.118 1.00 0.00 C ATOM 22 O SER A 415 -14.817 3.062 15.321 1.00 0.00 O ATOM 23 CB SER A 415 -17.844 4.266 16.189 1.00 0.00 C ATOM 24 OG SER A 415 -17.797 4.301 14.773 1.00 0.00 O ATOM 0 H SER A 415 -17.272 4.254 18.590 1.00 0.00 H new ATOM 0 HA SER A 415 -16.907 2.361 16.520 1.00 0.00 H new ATOM 0 HB2 SER A 415 -18.805 3.868 16.514 1.00 0.00 H new ATOM 0 HB3 SER A 415 -17.769 5.279 16.584 1.00 0.00 H new ATOM 0 HG SER A 415 -18.531 4.855 14.435 1.00 0.00 H new ATOM 30 N GLY A 416 -14.897 4.991 16.476 1.00 0.00 N ATOM 31 CA GLY A 416 -13.642 5.472 15.929 1.00 0.00 C ATOM 32 C GLY A 416 -13.832 6.273 14.657 1.00 0.00 C ATOM 33 O GLY A 416 -14.660 7.182 14.605 1.00 0.00 O ATOM 0 H GLY A 416 -15.348 5.625 17.135 1.00 0.00 H new ATOM 0 HA2 GLY A 416 -13.139 6.091 16.672 1.00 0.00 H new ATOM 0 HA3 GLY A 416 -12.989 4.623 15.726 1.00 0.00 H new ATOM 37 N SER A 417 -13.061 5.937 13.627 1.00 0.00 N ATOM 38 CA SER A 417 -13.144 6.636 12.350 1.00 0.00 C ATOM 39 C SER A 417 -13.213 5.644 11.192 1.00 0.00 C ATOM 40 O SER A 417 -12.547 4.610 11.206 1.00 0.00 O ATOM 41 CB SER A 417 -11.940 7.563 12.172 1.00 0.00 C ATOM 42 OG SER A 417 -10.723 6.850 12.309 1.00 0.00 O ATOM 0 H SER A 417 -12.372 5.185 13.652 1.00 0.00 H new ATOM 0 HA SER A 417 -14.056 7.233 12.349 1.00 0.00 H new ATOM 0 HB2 SER A 417 -11.981 8.033 11.189 1.00 0.00 H new ATOM 0 HB3 SER A 417 -11.981 8.364 12.910 1.00 0.00 H new ATOM 0 HG SER A 417 -9.969 7.464 12.189 1.00 0.00 H new ATOM 48 N SER A 418 -14.024 5.969 10.191 1.00 0.00 N ATOM 49 CA SER A 418 -14.184 5.106 9.026 1.00 0.00 C ATOM 50 C SER A 418 -12.909 5.083 8.188 1.00 0.00 C ATOM 51 O SER A 418 -12.388 6.128 7.801 1.00 0.00 O ATOM 52 CB SER A 418 -15.361 5.581 8.171 1.00 0.00 C ATOM 53 OG SER A 418 -15.233 6.954 7.845 1.00 0.00 O ATOM 0 H SER A 418 -14.581 6.823 10.163 1.00 0.00 H new ATOM 0 HA SER A 418 -14.385 4.094 9.379 1.00 0.00 H new ATOM 0 HB2 SER A 418 -15.412 4.990 7.256 1.00 0.00 H new ATOM 0 HB3 SER A 418 -16.295 5.417 8.709 1.00 0.00 H new ATOM 0 HG SER A 418 -14.291 7.163 7.672 1.00 0.00 H new ATOM 59 N GLY A 419 -12.412 3.881 7.913 1.00 0.00 N ATOM 60 CA GLY A 419 -11.202 3.742 7.123 1.00 0.00 C ATOM 61 C GLY A 419 -10.731 2.304 7.033 1.00 0.00 C ATOM 62 O GLY A 419 -10.754 1.572 8.023 1.00 0.00 O ATOM 0 H GLY A 419 -12.825 3.001 8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -11.381 4.126 6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -10.413 4.353 7.562 1.00 0.00 H new ATOM 66 N PHE A 420 -10.303 1.897 5.843 1.00 0.00 N ATOM 67 CA PHE A 420 -9.826 0.536 5.626 1.00 0.00 C ATOM 68 C PHE A 420 -8.839 0.125 6.714 1.00 0.00 C ATOM 69 O PHE A 420 -8.282 0.972 7.412 1.00 0.00 O ATOM 70 CB PHE A 420 -9.166 0.417 4.251 1.00 0.00 C ATOM 71 CG PHE A 420 -10.128 0.573 3.108 1.00 0.00 C ATOM 72 CD1 PHE A 420 -11.358 -0.063 3.129 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.801 1.357 2.013 1.00 0.00 C ATOM 74 CE1 PHE A 420 -12.246 0.079 2.079 1.00 0.00 C ATOM 75 CE2 PHE A 420 -10.685 1.504 0.961 1.00 0.00 C ATOM 76 CZ PHE A 420 -11.909 0.863 0.993 1.00 0.00 C ATOM 0 H PHE A 420 -10.277 2.490 5.014 1.00 0.00 H new ATOM 0 HA PHE A 420 -10.685 -0.134 5.668 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -8.386 1.174 4.165 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -8.678 -0.554 4.174 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -11.627 -0.677 3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -8.845 1.858 1.981 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -13.202 -0.423 2.108 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -10.419 2.120 0.114 1.00 0.00 H new ATOM 0 HZ PHE A 420 -12.600 0.975 0.171 1.00 0.00 H new ATOM 86 N GLN A 421 -8.627 -1.180 6.852 1.00 0.00 N ATOM 87 CA GLN A 421 -7.708 -1.703 7.856 1.00 0.00 C ATOM 88 C GLN A 421 -6.473 -2.310 7.199 1.00 0.00 C ATOM 89 O GLN A 421 -6.549 -2.954 6.153 1.00 0.00 O ATOM 90 CB GLN A 421 -8.408 -2.752 8.721 1.00 0.00 C ATOM 91 CG GLN A 421 -9.213 -2.158 9.866 1.00 0.00 C ATOM 92 CD GLN A 421 -8.337 -1.630 10.984 1.00 0.00 C ATOM 93 OE1 GLN A 421 -7.797 -2.399 11.780 1.00 0.00 O ATOM 94 NE2 GLN A 421 -8.190 -0.312 11.050 1.00 0.00 N ATOM 0 H GLN A 421 -9.079 -1.894 6.281 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.390 -0.874 8.489 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -9.071 -3.346 8.092 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -7.660 -3.433 9.128 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -9.836 -1.349 9.485 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -9.885 -2.918 10.265 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -8.656 0.288 10.369 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -7.611 0.101 11.781 1.00 0.00 H new ATOM 103 N PRO A 422 -5.306 -2.100 7.826 1.00 0.00 N ATOM 104 CA PRO A 422 -4.031 -2.619 7.320 1.00 0.00 C ATOM 105 C PRO A 422 -3.935 -4.136 7.439 1.00 0.00 C ATOM 106 O PRO A 422 -4.818 -4.781 8.001 1.00 0.00 O ATOM 107 CB PRO A 422 -2.992 -1.944 8.219 1.00 0.00 C ATOM 108 CG PRO A 422 -3.723 -1.640 9.481 1.00 0.00 C ATOM 109 CD PRO A 422 -5.140 -1.341 9.076 1.00 0.00 C ATOM 0 HA PRO A 422 -3.897 -2.409 6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -2.141 -2.600 8.403 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.601 -1.036 7.760 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.683 -2.485 10.168 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.276 -0.789 9.996 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.851 -1.661 9.837 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -5.297 -0.273 8.922 1.00 0.00 H new ATOM 117 N GLY A 423 -2.855 -4.699 6.906 1.00 0.00 N ATOM 118 CA GLY A 423 -2.663 -6.137 6.964 1.00 0.00 C ATOM 119 C GLY A 423 -3.082 -6.829 5.682 1.00 0.00 C ATOM 120 O GLY A 423 -2.448 -7.795 5.255 1.00 0.00 O ATOM 0 H GLY A 423 -2.110 -4.186 6.435 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.613 -6.353 7.164 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -3.236 -6.544 7.797 1.00 0.00 H new ATOM 124 N ASP A 424 -4.152 -6.338 5.068 1.00 0.00 N ATOM 125 CA ASP A 424 -4.656 -6.916 3.828 1.00 0.00 C ATOM 126 C ASP A 424 -3.690 -6.656 2.676 1.00 0.00 C ATOM 127 O ASP A 424 -2.935 -5.685 2.694 1.00 0.00 O ATOM 128 CB ASP A 424 -6.034 -6.342 3.495 1.00 0.00 C ATOM 129 CG ASP A 424 -7.136 -6.958 4.335 1.00 0.00 C ATOM 130 OD1 ASP A 424 -7.312 -8.193 4.270 1.00 0.00 O ATOM 131 OD2 ASP A 424 -7.821 -6.205 5.057 1.00 0.00 O ATOM 0 H ASP A 424 -4.688 -5.540 5.409 1.00 0.00 H new ATOM 0 HA ASP A 424 -4.745 -7.993 3.968 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -6.022 -5.263 3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -6.249 -6.509 2.440 1.00 0.00 H new ATOM 136 N ASN A 425 -3.721 -7.531 1.676 1.00 0.00 N ATOM 137 CA ASN A 425 -2.847 -7.396 0.516 1.00 0.00 C ATOM 138 C ASN A 425 -3.431 -6.412 -0.493 1.00 0.00 C ATOM 139 O ASN A 425 -4.640 -6.382 -0.720 1.00 0.00 O ATOM 140 CB ASN A 425 -2.634 -8.758 -0.149 1.00 0.00 C ATOM 141 CG ASN A 425 -1.958 -9.752 0.775 1.00 0.00 C ATOM 142 OD1 ASN A 425 -2.215 -9.773 1.979 1.00 0.00 O ATOM 143 ND2 ASN A 425 -1.087 -10.583 0.214 1.00 0.00 N ATOM 0 H ASN A 425 -4.341 -8.340 1.645 1.00 0.00 H new ATOM 0 HA ASN A 425 -1.886 -7.011 0.859 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -3.596 -9.158 -0.468 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -2.029 -8.631 -1.047 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -0.601 -11.274 0.785 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -0.905 -10.530 -0.788 1.00 0.00 H new ATOM 150 N VAL A 426 -2.561 -5.607 -1.097 1.00 0.00 N ATOM 151 CA VAL A 426 -2.989 -4.622 -2.083 1.00 0.00 C ATOM 152 C VAL A 426 -2.009 -4.550 -3.249 1.00 0.00 C ATOM 153 O VAL A 426 -1.046 -5.314 -3.310 1.00 0.00 O ATOM 154 CB VAL A 426 -3.126 -3.222 -1.455 1.00 0.00 C ATOM 155 CG1 VAL A 426 -4.136 -3.243 -0.318 1.00 0.00 C ATOM 156 CG2 VAL A 426 -1.774 -2.722 -0.969 1.00 0.00 C ATOM 0 H VAL A 426 -1.556 -5.618 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 426 -3.963 -4.944 -2.450 1.00 0.00 H new ATOM 0 HB VAL A 426 -3.489 -2.534 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -4.219 -2.245 0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.108 -3.555 -0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -3.806 -3.943 0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -1.889 -1.732 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -1.380 -3.409 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.083 -2.667 -1.810 1.00 0.00 H new ATOM 166 N GLU A 427 -2.262 -3.628 -4.172 1.00 0.00 N ATOM 167 CA GLU A 427 -1.402 -3.457 -5.337 1.00 0.00 C ATOM 168 C GLU A 427 -1.665 -2.116 -6.016 1.00 0.00 C ATOM 169 O GLU A 427 -2.807 -1.663 -6.100 1.00 0.00 O ATOM 170 CB GLU A 427 -1.622 -4.597 -6.333 1.00 0.00 C ATOM 171 CG GLU A 427 -0.664 -4.569 -7.512 1.00 0.00 C ATOM 172 CD GLU A 427 -0.969 -5.645 -8.537 1.00 0.00 C ATOM 173 OE1 GLU A 427 -0.520 -6.794 -8.341 1.00 0.00 O ATOM 174 OE2 GLU A 427 -1.655 -5.337 -9.534 1.00 0.00 O ATOM 0 H GLU A 427 -3.055 -2.988 -4.136 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.366 -3.476 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -1.516 -5.549 -5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.645 -4.550 -6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -0.712 -3.591 -7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 427 0.356 -4.696 -7.150 1.00 0.00 H new ATOM 181 N VAL A 428 -0.600 -1.485 -6.499 1.00 0.00 N ATOM 182 CA VAL A 428 -0.714 -0.196 -7.171 1.00 0.00 C ATOM 183 C VAL A 428 -1.477 -0.327 -8.484 1.00 0.00 C ATOM 184 O VAL A 428 -1.341 -1.322 -9.196 1.00 0.00 O ATOM 185 CB VAL A 428 0.672 0.415 -7.454 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.533 1.717 -8.226 1.00 0.00 C ATOM 187 CG2 VAL A 428 1.432 0.634 -6.154 1.00 0.00 C ATOM 0 H VAL A 428 0.352 -1.846 -6.438 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.263 0.464 -6.499 1.00 0.00 H new ATOM 0 HB VAL A 428 1.241 -0.284 -8.067 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.522 2.134 -8.417 1.00 0.00 H new ATOM 0 HG12 VAL A 428 0.031 1.526 -9.174 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.053 2.426 -7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 428 2.409 1.066 -6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.869 1.313 -5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.563 -0.320 -5.644 1.00 0.00 H new ATOM 197 N CYS A 429 -2.280 0.684 -8.798 1.00 0.00 N ATOM 198 CA CYS A 429 -3.066 0.682 -10.027 1.00 0.00 C ATOM 199 C CYS A 429 -2.395 1.529 -11.103 1.00 0.00 C ATOM 200 O CYS A 429 -2.253 1.097 -12.247 1.00 0.00 O ATOM 201 CB CYS A 429 -4.477 1.205 -9.755 1.00 0.00 C ATOM 202 SG CYS A 429 -5.542 1.250 -11.215 1.00 0.00 S ATOM 0 H CYS A 429 -2.404 1.515 -8.219 1.00 0.00 H new ATOM 0 HA CYS A 429 -3.130 -0.345 -10.387 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -4.945 0.578 -8.996 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -4.406 2.210 -9.339 1.00 0.00 H new ATOM 0 HG CYS A 429 -6.714 1.704 -10.883 1.00 0.00 H new ATOM 208 N GLU A 430 -1.986 2.737 -10.729 1.00 0.00 N ATOM 209 CA GLU A 430 -1.333 3.645 -11.663 1.00 0.00 C ATOM 210 C GLU A 430 -0.211 4.419 -10.976 1.00 0.00 C ATOM 211 O GLU A 430 -0.305 4.752 -9.795 1.00 0.00 O ATOM 212 CB GLU A 430 -2.351 4.621 -12.257 1.00 0.00 C ATOM 213 CG GLU A 430 -1.744 5.614 -13.234 1.00 0.00 C ATOM 214 CD GLU A 430 -1.621 5.052 -14.637 1.00 0.00 C ATOM 215 OE1 GLU A 430 -2.550 4.342 -15.076 1.00 0.00 O ATOM 216 OE2 GLU A 430 -0.595 5.322 -15.296 1.00 0.00 O ATOM 0 H GLU A 430 -2.096 3.109 -9.786 1.00 0.00 H new ATOM 0 HA GLU A 430 -0.901 3.049 -12.466 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -3.131 4.054 -12.766 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -2.832 5.169 -11.447 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -2.358 6.514 -13.260 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -0.758 5.911 -12.878 1.00 0.00 H new ATOM 223 N GLY A 431 0.850 4.703 -11.725 1.00 0.00 N ATOM 224 CA GLY A 431 1.975 5.434 -11.172 1.00 0.00 C ATOM 225 C GLY A 431 3.282 4.680 -11.311 1.00 0.00 C ATOM 226 O GLY A 431 3.288 3.460 -11.475 1.00 0.00 O ATOM 0 H GLY A 431 0.950 4.440 -12.705 1.00 0.00 H new ATOM 0 HA2 GLY A 431 2.060 6.398 -11.674 1.00 0.00 H new ATOM 0 HA3 GLY A 431 1.788 5.639 -10.118 1.00 0.00 H new ATOM 230 N GLU A 432 4.393 5.407 -11.247 1.00 0.00 N ATOM 231 CA GLU A 432 5.712 4.798 -11.370 1.00 0.00 C ATOM 232 C GLU A 432 5.796 3.513 -10.552 1.00 0.00 C ATOM 233 O GLU A 432 6.626 2.643 -10.824 1.00 0.00 O ATOM 234 CB GLU A 432 6.795 5.778 -10.914 1.00 0.00 C ATOM 235 CG GLU A 432 6.948 6.984 -11.825 1.00 0.00 C ATOM 236 CD GLU A 432 8.256 7.719 -11.606 1.00 0.00 C ATOM 237 OE1 GLU A 432 8.547 8.079 -10.446 1.00 0.00 O ATOM 238 OE2 GLU A 432 8.989 7.933 -12.594 1.00 0.00 O ATOM 0 H GLU A 432 4.406 6.418 -11.111 1.00 0.00 H new ATOM 0 HA GLU A 432 5.874 4.551 -12.419 1.00 0.00 H new ATOM 0 HB2 GLU A 432 6.561 6.122 -9.906 1.00 0.00 H new ATOM 0 HB3 GLU A 432 7.748 5.252 -10.858 1.00 0.00 H new ATOM 0 HG2 GLU A 432 6.887 6.660 -12.864 1.00 0.00 H new ATOM 0 HG3 GLU A 432 6.118 7.670 -11.656 1.00 0.00 H new ATOM 245 N LEU A 433 4.933 3.399 -9.549 1.00 0.00 N ATOM 246 CA LEU A 433 4.909 2.221 -8.689 1.00 0.00 C ATOM 247 C LEU A 433 3.837 1.236 -9.146 1.00 0.00 C ATOM 248 O LEU A 433 3.286 0.486 -8.339 1.00 0.00 O ATOM 249 CB LEU A 433 4.657 2.630 -7.237 1.00 0.00 C ATOM 250 CG LEU A 433 5.609 3.678 -6.660 1.00 0.00 C ATOM 251 CD1 LEU A 433 5.029 4.284 -5.391 1.00 0.00 C ATOM 252 CD2 LEU A 433 6.974 3.064 -6.384 1.00 0.00 C ATOM 0 H LEU A 433 4.240 4.109 -9.311 1.00 0.00 H new ATOM 0 HA LEU A 433 5.880 1.731 -8.758 1.00 0.00 H new ATOM 0 HB2 LEU A 433 3.639 3.011 -7.159 1.00 0.00 H new ATOM 0 HB3 LEU A 433 4.711 1.737 -6.614 1.00 0.00 H new ATOM 0 HG LEU A 433 5.732 4.473 -7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 433 5.720 5.028 -4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 433 4.075 4.760 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 433 4.876 3.499 -4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 433 7.639 3.824 -5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 433 6.868 2.249 -5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.394 2.678 -7.313 1.00 0.00 H new ATOM 264 N ILE A 434 3.549 1.243 -10.443 1.00 0.00 N ATOM 265 CA ILE A 434 2.546 0.347 -11.006 1.00 0.00 C ATOM 266 C ILE A 434 2.991 -1.108 -10.908 1.00 0.00 C ATOM 267 O ILE A 434 4.174 -1.395 -10.731 1.00 0.00 O ATOM 268 CB ILE A 434 2.255 0.685 -12.480 1.00 0.00 C ATOM 269 CG1 ILE A 434 1.043 -0.105 -12.977 1.00 0.00 C ATOM 270 CG2 ILE A 434 3.474 0.392 -13.342 1.00 0.00 C ATOM 271 CD1 ILE A 434 0.348 0.535 -14.159 1.00 0.00 C ATOM 0 H ILE A 434 3.995 1.858 -11.123 1.00 0.00 H new ATOM 0 HA ILE A 434 1.636 0.485 -10.423 1.00 0.00 H new ATOM 0 HB ILE A 434 2.028 1.749 -12.555 1.00 0.00 H new ATOM 0 HG12 ILE A 434 1.363 -1.109 -13.254 1.00 0.00 H new ATOM 0 HG13 ILE A 434 0.329 -0.212 -12.160 1.00 0.00 H new ATOM 0 HG21 ILE A 434 3.252 0.636 -14.381 1.00 0.00 H new ATOM 0 HG22 ILE A 434 4.315 0.994 -12.999 1.00 0.00 H new ATOM 0 HG23 ILE A 434 3.729 -0.665 -13.264 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -0.502 -0.079 -14.458 1.00 0.00 H new ATOM 0 HD12 ILE A 434 -0.003 1.529 -13.880 1.00 0.00 H new ATOM 0 HD13 ILE A 434 1.047 0.617 -14.991 1.00 0.00 H new ATOM 283 N ASN A 435 2.034 -2.023 -11.026 1.00 0.00 N ATOM 284 CA ASN A 435 2.327 -3.449 -10.952 1.00 0.00 C ATOM 285 C ASN A 435 3.143 -3.773 -9.704 1.00 0.00 C ATOM 286 O ASN A 435 3.967 -4.688 -9.708 1.00 0.00 O ATOM 287 CB ASN A 435 3.084 -3.901 -12.202 1.00 0.00 C ATOM 288 CG ASN A 435 2.443 -3.396 -13.481 1.00 0.00 C ATOM 289 OD1 ASN A 435 3.087 -2.726 -14.288 1.00 0.00 O ATOM 290 ND2 ASN A 435 1.168 -3.716 -13.669 1.00 0.00 N ATOM 0 H ASN A 435 1.049 -1.802 -11.173 1.00 0.00 H new ATOM 0 HA ASN A 435 1.380 -3.986 -10.895 1.00 0.00 H new ATOM 0 HB2 ASN A 435 4.113 -3.545 -12.149 1.00 0.00 H new ATOM 0 HB3 ASN A 435 3.125 -4.990 -12.225 1.00 0.00 H new ATOM 0 HD21 ASN A 435 0.683 -3.404 -14.510 1.00 0.00 H new ATOM 0 HD22 ASN A 435 0.674 -4.274 -12.972 1.00 0.00 H new ATOM 297 N LEU A 436 2.908 -3.016 -8.638 1.00 0.00 N ATOM 298 CA LEU A 436 3.621 -3.222 -7.382 1.00 0.00 C ATOM 299 C LEU A 436 2.700 -3.823 -6.325 1.00 0.00 C ATOM 300 O LEU A 436 1.875 -3.124 -5.738 1.00 0.00 O ATOM 301 CB LEU A 436 4.199 -1.899 -6.878 1.00 0.00 C ATOM 302 CG LEU A 436 5.094 -1.985 -5.641 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.362 -2.764 -5.953 1.00 0.00 C ATOM 304 CD2 LEU A 436 5.433 -0.592 -5.130 1.00 0.00 C ATOM 0 H LEU A 436 2.230 -2.254 -8.618 1.00 0.00 H new ATOM 0 HA LEU A 436 4.437 -3.921 -7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.773 -1.445 -7.686 1.00 0.00 H new ATOM 0 HB3 LEU A 436 3.371 -1.225 -6.657 1.00 0.00 H new ATOM 0 HG LEU A 436 4.550 -2.515 -4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 436 6.987 -2.815 -5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 436 6.100 -3.773 -6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 436 6.910 -2.263 -6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 436 6.070 -0.673 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 436 5.957 -0.037 -5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.515 -0.068 -4.866 1.00 0.00 H new ATOM 316 N GLN A 437 2.849 -5.123 -6.088 1.00 0.00 N ATOM 317 CA GLN A 437 2.030 -5.817 -5.101 1.00 0.00 C ATOM 318 C GLN A 437 2.663 -5.736 -3.716 1.00 0.00 C ATOM 319 O GLN A 437 3.879 -5.604 -3.585 1.00 0.00 O ATOM 320 CB GLN A 437 1.840 -7.280 -5.503 1.00 0.00 C ATOM 321 CG GLN A 437 3.101 -8.118 -5.365 1.00 0.00 C ATOM 322 CD GLN A 437 4.034 -7.969 -6.550 1.00 0.00 C ATOM 323 OE1 GLN A 437 5.037 -7.258 -6.480 1.00 0.00 O ATOM 324 NE2 GLN A 437 3.708 -8.640 -7.649 1.00 0.00 N ATOM 0 H GLN A 437 3.528 -5.716 -6.565 1.00 0.00 H new ATOM 0 HA GLN A 437 1.056 -5.328 -5.065 1.00 0.00 H new ATOM 0 HB2 GLN A 437 1.054 -7.718 -4.888 1.00 0.00 H new ATOM 0 HB3 GLN A 437 1.497 -7.322 -6.537 1.00 0.00 H new ATOM 0 HG2 GLN A 437 3.627 -7.829 -4.455 1.00 0.00 H new ATOM 0 HG3 GLN A 437 2.825 -9.167 -5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 437 2.868 -9.218 -7.663 1.00 0.00 H new ATOM 0 HE22 GLN A 437 4.298 -8.578 -8.479 1.00 0.00 H new ATOM 333 N GLY A 438 1.829 -5.817 -2.683 1.00 0.00 N ATOM 334 CA GLY A 438 2.326 -5.750 -1.321 1.00 0.00 C ATOM 335 C GLY A 438 1.220 -5.890 -0.294 1.00 0.00 C ATOM 336 O GLY A 438 0.086 -6.229 -0.632 1.00 0.00 O ATOM 0 H GLY A 438 0.818 -5.928 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 438 3.063 -6.538 -1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 438 2.839 -4.800 -1.171 1.00 0.00 H new ATOM 340 N LYS A 439 1.550 -5.631 0.967 1.00 0.00 N ATOM 341 CA LYS A 439 0.578 -5.730 2.049 1.00 0.00 C ATOM 342 C LYS A 439 0.481 -4.415 2.816 1.00 0.00 C ATOM 343 O LYS A 439 1.477 -3.710 2.985 1.00 0.00 O ATOM 344 CB LYS A 439 0.960 -6.863 3.004 1.00 0.00 C ATOM 345 CG LYS A 439 2.019 -6.471 4.019 1.00 0.00 C ATOM 346 CD LYS A 439 2.711 -7.692 4.602 1.00 0.00 C ATOM 347 CE LYS A 439 1.989 -8.205 5.838 1.00 0.00 C ATOM 348 NZ LYS A 439 2.379 -7.452 7.062 1.00 0.00 N ATOM 0 H LYS A 439 2.484 -5.351 1.265 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.396 -5.946 1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 439 0.068 -7.197 3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 439 1.322 -7.711 2.422 1.00 0.00 H new ATOM 0 HG2 LYS A 439 2.758 -5.825 3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 439 1.559 -5.894 4.822 1.00 0.00 H new ATOM 0 HD2 LYS A 439 2.754 -8.481 3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 439 3.740 -7.440 4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 439 0.912 -8.123 5.689 1.00 0.00 H new ATOM 0 HE3 LYS A 439 2.213 -9.263 5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 1.865 -7.832 7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 3.402 -7.550 7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 2.142 -6.446 6.941 1.00 0.00 H new ATOM 362 N ILE A 440 -0.721 -4.092 3.279 1.00 0.00 N ATOM 363 CA ILE A 440 -0.945 -2.863 4.031 1.00 0.00 C ATOM 364 C ILE A 440 -0.407 -2.982 5.452 1.00 0.00 C ATOM 365 O ILE A 440 -0.436 -4.059 6.051 1.00 0.00 O ATOM 366 CB ILE A 440 -2.442 -2.505 4.090 1.00 0.00 C ATOM 367 CG1 ILE A 440 -3.072 -2.622 2.700 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.629 -1.101 4.645 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.584 -2.625 2.720 1.00 0.00 C ATOM 0 H ILE A 440 -1.555 -4.664 3.147 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.410 -2.071 3.508 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.943 -3.208 4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.727 -1.793 2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.721 -3.539 2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.692 -0.862 4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -2.211 -1.049 5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -2.118 -0.385 4.002 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.961 -2.710 1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.938 -3.470 3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.944 -1.697 3.163 1.00 0.00 H new ATOM 381 N LEU A 441 0.083 -1.870 5.988 1.00 0.00 N ATOM 382 CA LEU A 441 0.627 -1.848 7.342 1.00 0.00 C ATOM 383 C LEU A 441 -0.221 -0.969 8.255 1.00 0.00 C ATOM 384 O LEU A 441 -0.557 -1.361 9.373 1.00 0.00 O ATOM 385 CB LEU A 441 2.071 -1.341 7.324 1.00 0.00 C ATOM 386 CG LEU A 441 3.148 -2.394 7.062 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.530 -1.760 7.082 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.059 -3.515 8.088 1.00 0.00 C ATOM 0 H LEU A 441 0.115 -0.972 5.506 1.00 0.00 H new ATOM 0 HA LEU A 441 0.610 -2.866 7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.154 -0.567 6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.280 -0.867 8.283 1.00 0.00 H new ATOM 0 HG LEU A 441 2.980 -2.820 6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.284 -2.525 6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.590 -0.993 6.309 1.00 0.00 H new ATOM 0 HD13 LEU A 441 4.708 -1.307 8.057 1.00 0.00 H new ATOM 0 HD21 LEU A 441 3.833 -4.255 7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.201 -3.105 9.088 1.00 0.00 H new ATOM 0 HD23 LEU A 441 2.079 -3.988 8.026 1.00 0.00 H new ATOM 400 N SER A 442 -0.565 0.220 7.772 1.00 0.00 N ATOM 401 CA SER A 442 -1.373 1.155 8.546 1.00 0.00 C ATOM 402 C SER A 442 -2.142 2.099 7.626 1.00 0.00 C ATOM 403 O SER A 442 -1.788 2.273 6.460 1.00 0.00 O ATOM 404 CB SER A 442 -0.486 1.962 9.496 1.00 0.00 C ATOM 405 OG SER A 442 0.343 1.110 10.267 1.00 0.00 O ATOM 0 H SER A 442 -0.297 0.559 6.848 1.00 0.00 H new ATOM 0 HA SER A 442 -2.091 0.580 9.130 1.00 0.00 H new ATOM 0 HB2 SER A 442 0.131 2.654 8.923 1.00 0.00 H new ATOM 0 HB3 SER A 442 -1.109 2.564 10.157 1.00 0.00 H new ATOM 0 HG SER A 442 0.901 1.650 10.865 1.00 0.00 H new ATOM 411 N VAL A 443 -3.197 2.705 8.160 1.00 0.00 N ATOM 412 CA VAL A 443 -4.017 3.632 7.389 1.00 0.00 C ATOM 413 C VAL A 443 -3.969 5.035 7.984 1.00 0.00 C ATOM 414 O VAL A 443 -4.301 5.237 9.152 1.00 0.00 O ATOM 415 CB VAL A 443 -5.483 3.164 7.325 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.369 4.260 6.751 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.600 1.889 6.504 1.00 0.00 C ATOM 0 H VAL A 443 -3.504 2.571 9.123 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.605 3.654 6.380 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.822 2.949 8.338 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.401 3.911 6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.308 5.146 7.383 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -6.033 4.509 5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.643 1.573 6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.243 2.075 5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.998 1.104 6.962 1.00 0.00 H new ATOM 427 N ASP A 444 -3.553 6.001 7.173 1.00 0.00 N ATOM 428 CA ASP A 444 -3.462 7.387 7.618 1.00 0.00 C ATOM 429 C ASP A 444 -4.330 8.294 6.752 1.00 0.00 C ATOM 430 O ASP A 444 -3.845 8.924 5.814 1.00 0.00 O ATOM 431 CB ASP A 444 -2.009 7.863 7.580 1.00 0.00 C ATOM 432 CG ASP A 444 -1.139 7.146 8.594 1.00 0.00 C ATOM 433 OD1 ASP A 444 -1.690 6.617 9.581 1.00 0.00 O ATOM 434 OD2 ASP A 444 0.094 7.114 8.399 1.00 0.00 O ATOM 0 H ASP A 444 -3.273 5.850 6.204 1.00 0.00 H new ATOM 0 HA ASP A 444 -3.826 7.438 8.644 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -1.604 7.704 6.581 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -1.976 8.936 7.771 1.00 0.00 H new ATOM 439 N GLY A 445 -5.619 8.355 7.074 1.00 0.00 N ATOM 440 CA GLY A 445 -6.535 9.186 6.315 1.00 0.00 C ATOM 441 C GLY A 445 -6.409 8.972 4.819 1.00 0.00 C ATOM 442 O GLY A 445 -6.621 7.866 4.324 1.00 0.00 O ATOM 0 H GLY A 445 -6.045 7.844 7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.558 8.971 6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.346 10.234 6.546 1.00 0.00 H new ATOM 446 N ASN A 446 -6.064 10.034 4.098 1.00 0.00 N ATOM 447 CA ASN A 446 -5.912 9.958 2.650 1.00 0.00 C ATOM 448 C ASN A 446 -4.703 9.106 2.274 1.00 0.00 C ATOM 449 O ASN A 446 -4.684 8.464 1.223 1.00 0.00 O ATOM 450 CB ASN A 446 -5.766 11.361 2.057 1.00 0.00 C ATOM 451 CG ASN A 446 -5.106 12.329 3.019 1.00 0.00 C ATOM 452 OD1 ASN A 446 -5.847 12.749 4.037 1.00 0.00 O flip ATOM 453 ND2 ASN A 446 -3.943 12.695 2.848 1.00 0.00 N flip ATOM 0 H ASN A 446 -5.885 10.957 4.493 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.806 9.489 2.240 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -5.178 11.306 1.141 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -6.750 11.741 1.782 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -3.411 12.346 2.051 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -3.512 13.347 3.503 1.00 0.00 H new ATOM 460 N LYS A 447 -3.695 9.104 3.139 1.00 0.00 N ATOM 461 CA LYS A 447 -2.483 8.331 2.901 1.00 0.00 C ATOM 462 C LYS A 447 -2.579 6.954 3.551 1.00 0.00 C ATOM 463 O LYS A 447 -3.120 6.812 4.647 1.00 0.00 O ATOM 464 CB LYS A 447 -1.262 9.078 3.442 1.00 0.00 C ATOM 465 CG LYS A 447 -1.075 10.458 2.835 1.00 0.00 C ATOM 466 CD LYS A 447 -0.404 11.410 3.811 1.00 0.00 C ATOM 467 CE LYS A 447 -1.398 11.970 4.816 1.00 0.00 C ATOM 468 NZ LYS A 447 -0.736 12.365 6.090 1.00 0.00 N ATOM 0 H LYS A 447 -3.694 9.630 4.013 1.00 0.00 H new ATOM 0 HA LYS A 447 -2.373 8.198 1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.356 9.176 4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.369 8.483 3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -0.473 10.380 1.930 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -2.044 10.861 2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 447 0.394 10.888 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 447 0.060 12.229 3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -1.902 12.835 4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -2.166 11.224 5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -1.447 12.742 6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -0.277 11.534 6.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -0.021 13.095 5.898 1.00 0.00 H new ATOM 482 N ILE A 448 -2.049 5.945 2.869 1.00 0.00 N ATOM 483 CA ILE A 448 -2.074 4.580 3.382 1.00 0.00 C ATOM 484 C ILE A 448 -0.679 3.963 3.369 1.00 0.00 C ATOM 485 O ILE A 448 -0.180 3.550 2.321 1.00 0.00 O ATOM 486 CB ILE A 448 -3.025 3.688 2.563 1.00 0.00 C ATOM 487 CG1 ILE A 448 -4.378 4.379 2.382 1.00 0.00 C ATOM 488 CG2 ILE A 448 -3.201 2.338 3.243 1.00 0.00 C ATOM 489 CD1 ILE A 448 -5.290 4.247 3.582 1.00 0.00 C ATOM 0 H ILE A 448 -1.597 6.046 1.960 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.435 4.635 4.409 1.00 0.00 H new ATOM 0 HB ILE A 448 -2.587 3.523 1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -4.212 5.437 2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.877 3.959 1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.876 1.718 2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -2.233 1.843 3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.620 2.484 4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -6.230 4.761 3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -5.486 3.192 3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.811 4.693 4.454 1.00 0.00 H new ATOM 501 N THR A 449 -0.054 3.901 4.541 1.00 0.00 N ATOM 502 CA THR A 449 1.282 3.334 4.665 1.00 0.00 C ATOM 503 C THR A 449 1.253 1.818 4.509 1.00 0.00 C ATOM 504 O THR A 449 0.612 1.116 5.292 1.00 0.00 O ATOM 505 CB THR A 449 1.918 3.686 6.024 1.00 0.00 C ATOM 506 OG1 THR A 449 1.695 5.068 6.325 1.00 0.00 O ATOM 507 CG2 THR A 449 3.411 3.398 6.013 1.00 0.00 C ATOM 0 H THR A 449 -0.453 4.237 5.418 1.00 0.00 H new ATOM 0 HA THR A 449 1.884 3.767 3.866 1.00 0.00 H new ATOM 0 HB THR A 449 1.451 3.068 6.791 1.00 0.00 H new ATOM 0 HG1 THR A 449 2.101 5.284 7.191 1.00 0.00 H new ATOM 0 HG21 THR A 449 3.838 3.654 6.983 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.576 2.339 5.812 1.00 0.00 H new ATOM 0 HG23 THR A 449 3.891 3.994 5.236 1.00 0.00 H new ATOM 515 N ILE A 450 1.950 1.319 3.494 1.00 0.00 N ATOM 516 CA ILE A 450 2.005 -0.115 3.237 1.00 0.00 C ATOM 517 C ILE A 450 3.432 -0.568 2.952 1.00 0.00 C ATOM 518 O ILE A 450 4.327 0.253 2.751 1.00 0.00 O ATOM 519 CB ILE A 450 1.107 -0.508 2.049 1.00 0.00 C ATOM 520 CG1 ILE A 450 1.668 0.064 0.746 1.00 0.00 C ATOM 521 CG2 ILE A 450 -0.317 -0.023 2.278 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.355 -0.781 -0.469 1.00 0.00 C ATOM 0 H ILE A 450 2.485 1.886 2.836 1.00 0.00 H new ATOM 0 HA ILE A 450 1.642 -0.611 4.137 1.00 0.00 H new ATOM 0 HB ILE A 450 1.091 -1.595 1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.265 1.066 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 450 2.749 0.166 0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.939 -0.308 1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.713 -0.475 3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 450 -0.320 1.062 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.783 -0.315 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.781 -1.776 -0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.274 -0.862 -0.587 1.00 0.00 H new ATOM 534 N MET A 451 3.638 -1.881 2.935 1.00 0.00 N ATOM 535 CA MET A 451 4.957 -2.444 2.672 1.00 0.00 C ATOM 536 C MET A 451 4.960 -3.237 1.369 1.00 0.00 C ATOM 537 O MET A 451 4.404 -4.332 1.279 1.00 0.00 O ATOM 538 CB MET A 451 5.392 -3.344 3.831 1.00 0.00 C ATOM 539 CG MET A 451 6.898 -3.402 4.024 1.00 0.00 C ATOM 540 SD MET A 451 7.738 -4.271 2.686 1.00 0.00 S ATOM 541 CE MET A 451 9.088 -3.145 2.345 1.00 0.00 C ATOM 0 H MET A 451 2.909 -2.575 3.100 1.00 0.00 H new ATOM 0 HA MET A 451 5.664 -1.619 2.577 1.00 0.00 H new ATOM 0 HB2 MET A 451 4.930 -2.986 4.751 1.00 0.00 H new ATOM 0 HB3 MET A 451 5.017 -4.353 3.657 1.00 0.00 H new ATOM 0 HG2 MET A 451 7.290 -2.388 4.096 1.00 0.00 H new ATOM 0 HG3 MET A 451 7.120 -3.897 4.969 1.00 0.00 H new ATOM 0 HE1 MET A 451 9.979 -3.715 2.082 1.00 0.00 H new ATOM 0 HE2 MET A 451 8.816 -2.492 1.516 1.00 0.00 H new ATOM 0 HE3 MET A 451 9.291 -2.542 3.230 1.00 0.00 H new ATOM 551 N PRO A 452 5.600 -2.673 0.334 1.00 0.00 N ATOM 552 CA PRO A 452 5.690 -3.310 -0.983 1.00 0.00 C ATOM 553 C PRO A 452 6.590 -4.542 -0.971 1.00 0.00 C ATOM 554 O PRO A 452 7.560 -4.607 -0.217 1.00 0.00 O ATOM 555 CB PRO A 452 6.293 -2.216 -1.867 1.00 0.00 C ATOM 556 CG PRO A 452 7.050 -1.343 -0.925 1.00 0.00 C ATOM 557 CD PRO A 452 6.285 -1.370 0.369 1.00 0.00 C ATOM 0 HA PRO A 452 4.721 -3.669 -1.328 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.948 -2.639 -2.629 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.517 -1.656 -2.389 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.067 -1.709 -0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.128 -0.327 -1.311 1.00 0.00 H new ATOM 0 HD2 PRO A 452 6.949 -1.288 1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 452 5.576 -0.545 0.434 1.00 0.00 H new ATOM 565 N LYS A 453 6.262 -5.517 -1.812 1.00 0.00 N ATOM 566 CA LYS A 453 7.041 -6.746 -1.900 1.00 0.00 C ATOM 567 C LYS A 453 8.031 -6.681 -3.059 1.00 0.00 C ATOM 568 O LYS A 453 7.709 -7.059 -4.186 1.00 0.00 O ATOM 569 CB LYS A 453 6.113 -7.950 -2.075 1.00 0.00 C ATOM 570 CG LYS A 453 5.485 -8.428 -0.778 1.00 0.00 C ATOM 571 CD LYS A 453 6.338 -9.489 -0.102 1.00 0.00 C ATOM 572 CE LYS A 453 7.341 -8.869 0.857 1.00 0.00 C ATOM 573 NZ LYS A 453 6.688 -7.937 1.818 1.00 0.00 N ATOM 0 H LYS A 453 5.461 -5.480 -2.443 1.00 0.00 H new ATOM 0 HA LYS A 453 7.602 -6.859 -0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.321 -7.689 -2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 453 6.676 -8.770 -2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.353 -7.582 -0.103 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.493 -8.832 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 453 5.696 -10.183 0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 453 6.867 -10.069 -0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 453 7.853 -9.658 1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 453 8.101 -8.332 0.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 7.147 -8.019 2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 6.780 -6.961 1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 5.681 -8.180 1.907 1.00 0.00 H new ATOM 587 N HIS A 454 9.237 -6.201 -2.774 1.00 0.00 N ATOM 588 CA HIS A 454 10.275 -6.088 -3.792 1.00 0.00 C ATOM 589 C HIS A 454 11.661 -6.250 -3.176 1.00 0.00 C ATOM 590 O HIS A 454 11.957 -5.671 -2.131 1.00 0.00 O ATOM 591 CB HIS A 454 10.176 -4.740 -4.506 1.00 0.00 C ATOM 592 CG HIS A 454 10.884 -4.706 -5.825 1.00 0.00 C ATOM 593 ND1 HIS A 454 12.215 -5.035 -5.974 1.00 0.00 N ATOM 594 CD2 HIS A 454 10.438 -4.381 -7.061 1.00 0.00 C ATOM 595 CE1 HIS A 454 12.557 -4.912 -7.244 1.00 0.00 C ATOM 596 NE2 HIS A 454 11.497 -4.518 -7.925 1.00 0.00 N ATOM 0 H HIS A 454 9.520 -5.884 -1.847 1.00 0.00 H new ATOM 0 HA HIS A 454 10.124 -6.887 -4.518 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.125 -4.497 -4.661 1.00 0.00 H new ATOM 0 HB3 HIS A 454 10.590 -3.965 -3.861 1.00 0.00 H new ATOM 0 HD2 HIS A 454 9.436 -4.072 -7.320 1.00 0.00 H new ATOM 0 HE1 HIS A 454 13.537 -5.102 -7.655 1.00 0.00 H new ATOM 0 HE2 HIS A 454 11.469 -4.344 -8.930 1.00 0.00 H new ATOM 604 N GLU A 455 12.506 -7.041 -3.829 1.00 0.00 N ATOM 605 CA GLU A 455 13.860 -7.279 -3.343 1.00 0.00 C ATOM 606 C GLU A 455 14.637 -5.970 -3.233 1.00 0.00 C ATOM 607 O GLU A 455 15.074 -5.585 -2.148 1.00 0.00 O ATOM 608 CB GLU A 455 14.597 -8.245 -4.273 1.00 0.00 C ATOM 609 CG GLU A 455 15.698 -9.034 -3.583 1.00 0.00 C ATOM 610 CD GLU A 455 15.206 -9.762 -2.347 1.00 0.00 C ATOM 611 OE1 GLU A 455 14.578 -10.830 -2.497 1.00 0.00 O ATOM 612 OE2 GLU A 455 15.450 -9.262 -1.229 1.00 0.00 O ATOM 0 H GLU A 455 12.277 -7.528 -4.696 1.00 0.00 H new ATOM 0 HA GLU A 455 13.789 -7.724 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 455 13.878 -8.942 -4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 455 15.029 -7.681 -5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 455 16.116 -9.757 -4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 455 16.505 -8.357 -3.304 1.00 0.00 H new ATOM 619 N ASP A 456 14.805 -5.292 -4.362 1.00 0.00 N ATOM 620 CA ASP A 456 15.528 -4.026 -4.393 1.00 0.00 C ATOM 621 C ASP A 456 15.065 -3.107 -3.267 1.00 0.00 C ATOM 622 O ASP A 456 15.814 -2.830 -2.329 1.00 0.00 O ATOM 623 CB ASP A 456 15.333 -3.335 -5.744 1.00 0.00 C ATOM 624 CG ASP A 456 16.198 -3.938 -6.833 1.00 0.00 C ATOM 625 OD1 ASP A 456 17.428 -4.029 -6.632 1.00 0.00 O ATOM 626 OD2 ASP A 456 15.647 -4.320 -7.886 1.00 0.00 O ATOM 0 H ASP A 456 14.450 -5.598 -5.268 1.00 0.00 H new ATOM 0 HA ASP A 456 16.588 -4.239 -4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 456 14.285 -3.404 -6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 456 15.567 -2.275 -5.644 1.00 0.00 H new ATOM 631 N LEU A 457 13.826 -2.637 -3.366 1.00 0.00 N ATOM 632 CA LEU A 457 13.262 -1.749 -2.355 1.00 0.00 C ATOM 633 C LEU A 457 13.244 -2.422 -0.987 1.00 0.00 C ATOM 634 O LEU A 457 12.631 -3.475 -0.809 1.00 0.00 O ATOM 635 CB LEU A 457 11.845 -1.330 -2.750 1.00 0.00 C ATOM 636 CG LEU A 457 11.717 -0.530 -4.046 1.00 0.00 C ATOM 637 CD1 LEU A 457 10.258 -0.402 -4.453 1.00 0.00 C ATOM 638 CD2 LEU A 457 12.352 0.844 -3.890 1.00 0.00 C ATOM 0 H LEU A 457 13.193 -2.856 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 457 13.893 -0.862 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 457 11.234 -2.228 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 457 11.424 -0.737 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 457 12.247 -1.065 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 457 10.187 0.171 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 457 9.835 -1.395 -4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 457 9.704 0.110 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 457 12.251 1.399 -4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 457 11.852 1.387 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 457 13.409 0.731 -3.647 1.00 0.00 H new ATOM 650 N LYS A 458 13.918 -1.806 -0.021 1.00 0.00 N ATOM 651 CA LYS A 458 13.977 -2.343 1.333 1.00 0.00 C ATOM 652 C LYS A 458 12.958 -1.655 2.236 1.00 0.00 C ATOM 653 O LYS A 458 12.065 -2.301 2.786 1.00 0.00 O ATOM 654 CB LYS A 458 15.383 -2.172 1.911 1.00 0.00 C ATOM 655 CG LYS A 458 16.391 -3.169 1.364 1.00 0.00 C ATOM 656 CD LYS A 458 17.587 -3.317 2.289 1.00 0.00 C ATOM 657 CE LYS A 458 17.256 -4.185 3.494 1.00 0.00 C ATOM 658 NZ LYS A 458 18.270 -4.044 4.574 1.00 0.00 N ATOM 0 H LYS A 458 14.431 -0.934 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 458 13.737 -3.405 1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 458 15.733 -1.161 1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 458 15.336 -2.273 2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 458 15.910 -4.138 1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 458 16.729 -2.844 0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 458 18.420 -3.756 1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 458 17.911 -2.333 2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 458 16.274 -3.911 3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 458 17.198 -5.229 3.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 18.009 -4.651 5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 19.203 -4.329 4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 18.308 -3.053 4.887 1.00 0.00 H new ATOM 672 N ASP A 459 13.097 -0.342 2.384 1.00 0.00 N ATOM 673 CA ASP A 459 12.187 0.434 3.218 1.00 0.00 C ATOM 674 C ASP A 459 10.763 0.371 2.673 1.00 0.00 C ATOM 675 O ASP A 459 10.546 0.010 1.517 1.00 0.00 O ATOM 676 CB ASP A 459 12.651 1.889 3.299 1.00 0.00 C ATOM 677 CG ASP A 459 13.936 2.043 4.088 1.00 0.00 C ATOM 678 OD1 ASP A 459 14.989 1.580 3.602 1.00 0.00 O ATOM 679 OD2 ASP A 459 13.890 2.626 5.192 1.00 0.00 O ATOM 0 H ASP A 459 13.831 0.207 1.937 1.00 0.00 H new ATOM 0 HA ASP A 459 12.193 0.002 4.219 1.00 0.00 H new ATOM 0 HB2 ASP A 459 12.798 2.277 2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 459 11.869 2.491 3.762 1.00 0.00 H new ATOM 684 N MET A 460 9.797 0.724 3.515 1.00 0.00 N ATOM 685 CA MET A 460 8.394 0.707 3.117 1.00 0.00 C ATOM 686 C MET A 460 8.031 1.975 2.350 1.00 0.00 C ATOM 687 O MET A 460 8.883 2.830 2.106 1.00 0.00 O ATOM 688 CB MET A 460 7.495 0.567 4.347 1.00 0.00 C ATOM 689 CG MET A 460 7.464 1.809 5.223 1.00 0.00 C ATOM 690 SD MET A 460 8.783 1.825 6.452 1.00 0.00 S ATOM 691 CE MET A 460 7.836 1.983 7.963 1.00 0.00 C ATOM 0 H MET A 460 9.960 1.025 4.476 1.00 0.00 H new ATOM 0 HA MET A 460 8.238 -0.150 2.462 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.481 0.337 4.021 1.00 0.00 H new ATOM 0 HB3 MET A 460 7.838 -0.279 4.943 1.00 0.00 H new ATOM 0 HG2 MET A 460 7.548 2.695 4.594 1.00 0.00 H new ATOM 0 HG3 MET A 460 6.500 1.868 5.729 1.00 0.00 H new ATOM 0 HE1 MET A 460 8.514 2.007 8.816 1.00 0.00 H new ATOM 0 HE2 MET A 460 7.256 2.905 7.934 1.00 0.00 H new ATOM 0 HE3 MET A 460 7.161 1.133 8.060 1.00 0.00 H new ATOM 701 N LEU A 461 6.763 2.090 1.972 1.00 0.00 N ATOM 702 CA LEU A 461 6.287 3.254 1.232 1.00 0.00 C ATOM 703 C LEU A 461 4.828 3.550 1.563 1.00 0.00 C ATOM 704 O LEU A 461 4.055 2.644 1.870 1.00 0.00 O ATOM 705 CB LEU A 461 6.445 3.026 -0.272 1.00 0.00 C ATOM 706 CG LEU A 461 7.881 2.913 -0.787 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.443 1.529 -0.503 1.00 0.00 C ATOM 708 CD2 LEU A 461 7.939 3.219 -2.276 1.00 0.00 C ATOM 0 H LEU A 461 6.045 1.391 2.166 1.00 0.00 H new ATOM 0 HA LEU A 461 6.889 4.113 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.912 2.114 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 461 5.956 3.846 -0.797 1.00 0.00 H new ATOM 0 HG LEU A 461 8.494 3.646 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.465 1.468 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.438 1.348 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.829 0.778 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 461 8.968 3.134 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 461 7.312 2.511 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 461 7.578 4.232 -2.454 1.00 0.00 H new ATOM 720 N GLU A 462 4.459 4.826 1.495 1.00 0.00 N ATOM 721 CA GLU A 462 3.091 5.241 1.786 1.00 0.00 C ATOM 722 C GLU A 462 2.429 5.837 0.547 1.00 0.00 C ATOM 723 O GLU A 462 2.950 6.773 -0.059 1.00 0.00 O ATOM 724 CB GLU A 462 3.076 6.260 2.927 1.00 0.00 C ATOM 725 CG GLU A 462 1.810 7.099 2.976 1.00 0.00 C ATOM 726 CD GLU A 462 1.524 7.642 4.363 1.00 0.00 C ATOM 727 OE1 GLU A 462 2.378 8.378 4.899 1.00 0.00 O ATOM 728 OE2 GLU A 462 0.446 7.330 4.912 1.00 0.00 O ATOM 0 H GLU A 462 5.087 5.589 1.241 1.00 0.00 H new ATOM 0 HA GLU A 462 2.527 4.359 2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 462 3.190 5.734 3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 462 3.936 6.921 2.824 1.00 0.00 H new ATOM 0 HG2 GLU A 462 1.902 7.930 2.276 1.00 0.00 H new ATOM 0 HG3 GLU A 462 0.965 6.495 2.645 1.00 0.00 H new ATOM 735 N PHE A 463 1.276 5.288 0.178 1.00 0.00 N ATOM 736 CA PHE A 463 0.542 5.764 -0.989 1.00 0.00 C ATOM 737 C PHE A 463 -0.925 6.004 -0.647 1.00 0.00 C ATOM 738 O PHE A 463 -1.487 5.390 0.260 1.00 0.00 O ATOM 739 CB PHE A 463 0.652 4.754 -2.134 1.00 0.00 C ATOM 740 CG PHE A 463 2.004 4.107 -2.235 1.00 0.00 C ATOM 741 CD1 PHE A 463 3.133 4.868 -2.491 1.00 0.00 C ATOM 742 CD2 PHE A 463 2.145 2.738 -2.075 1.00 0.00 C ATOM 743 CE1 PHE A 463 4.379 4.276 -2.584 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.388 2.141 -2.167 1.00 0.00 C ATOM 745 CZ PHE A 463 4.506 2.910 -2.423 1.00 0.00 C ATOM 0 H PHE A 463 0.830 4.514 0.670 1.00 0.00 H new ATOM 0 HA PHE A 463 0.983 6.710 -1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -0.103 3.980 -1.999 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.428 5.257 -3.075 1.00 0.00 H new ATOM 0 HD1 PHE A 463 3.039 5.936 -2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 463 1.274 2.131 -1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 463 5.252 4.881 -2.782 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.485 1.073 -2.039 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.478 2.444 -2.497 1.00 0.00 H new ATOM 755 N PRO A 464 -1.562 6.922 -1.390 1.00 0.00 N ATOM 756 CA PRO A 464 -2.972 7.266 -1.185 1.00 0.00 C ATOM 757 C PRO A 464 -3.910 6.137 -1.598 1.00 0.00 C ATOM 758 O PRO A 464 -3.584 5.335 -2.472 1.00 0.00 O ATOM 759 CB PRO A 464 -3.174 8.486 -2.087 1.00 0.00 C ATOM 760 CG PRO A 464 -2.136 8.350 -3.147 1.00 0.00 C ATOM 761 CD PRO A 464 -0.955 7.693 -2.488 1.00 0.00 C ATOM 0 HA PRO A 464 -3.198 7.453 -0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -4.177 8.501 -2.514 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -3.051 9.415 -1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.504 7.748 -3.978 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -1.864 9.324 -3.554 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.415 7.048 -3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -0.242 8.429 -2.116 1.00 0.00 H new ATOM 769 N ALA A 465 -5.078 6.082 -0.965 1.00 0.00 N ATOM 770 CA ALA A 465 -6.064 5.053 -1.269 1.00 0.00 C ATOM 771 C ALA A 465 -6.304 4.949 -2.771 1.00 0.00 C ATOM 772 O ALA A 465 -6.636 3.881 -3.283 1.00 0.00 O ATOM 773 CB ALA A 465 -7.370 5.343 -0.543 1.00 0.00 C ATOM 0 H ALA A 465 -5.364 6.738 -0.239 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.673 4.096 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -8.098 4.567 -0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -7.193 5.359 0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.756 6.311 -0.862 1.00 0.00 H new ATOM 779 N GLN A 466 -6.133 6.066 -3.472 1.00 0.00 N ATOM 780 CA GLN A 466 -6.333 6.099 -4.916 1.00 0.00 C ATOM 781 C GLN A 466 -5.227 5.334 -5.636 1.00 0.00 C ATOM 782 O GLN A 466 -5.468 4.696 -6.660 1.00 0.00 O ATOM 783 CB GLN A 466 -6.375 7.545 -5.413 1.00 0.00 C ATOM 784 CG GLN A 466 -5.000 8.146 -5.654 1.00 0.00 C ATOM 785 CD GLN A 466 -5.019 9.662 -5.660 1.00 0.00 C ATOM 786 OE1 GLN A 466 -4.758 10.294 -6.685 1.00 0.00 O ATOM 787 NE2 GLN A 466 -5.328 10.255 -4.513 1.00 0.00 N ATOM 0 H GLN A 466 -5.857 6.959 -3.064 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.286 5.618 -5.137 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -6.947 7.585 -6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -6.906 8.156 -4.683 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -4.315 7.798 -4.881 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -4.613 7.787 -6.608 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -5.537 9.693 -3.688 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -5.356 11.273 -4.457 1.00 0.00 H new ATOM 796 N GLU A 467 -4.016 5.404 -5.093 1.00 0.00 N ATOM 797 CA GLU A 467 -2.873 4.718 -5.686 1.00 0.00 C ATOM 798 C GLU A 467 -2.696 3.330 -5.076 1.00 0.00 C ATOM 799 O GLU A 467 -1.601 2.766 -5.096 1.00 0.00 O ATOM 800 CB GLU A 467 -1.598 5.540 -5.489 1.00 0.00 C ATOM 801 CG GLU A 467 -1.446 6.675 -6.489 1.00 0.00 C ATOM 802 CD GLU A 467 -0.401 7.689 -6.066 1.00 0.00 C ATOM 803 OE1 GLU A 467 0.643 7.271 -5.521 1.00 0.00 O ATOM 804 OE2 GLU A 467 -0.626 8.898 -6.278 1.00 0.00 O ATOM 0 H GLU A 467 -3.801 5.928 -4.245 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.063 4.606 -6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -1.594 5.953 -4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -0.734 4.880 -5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -1.175 6.264 -7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -2.406 7.177 -6.612 1.00 0.00 H new ATOM 811 N LEU A 468 -3.779 2.786 -4.534 1.00 0.00 N ATOM 812 CA LEU A 468 -3.744 1.464 -3.917 1.00 0.00 C ATOM 813 C LEU A 468 -5.067 0.732 -4.122 1.00 0.00 C ATOM 814 O LEU A 468 -6.135 1.261 -3.812 1.00 0.00 O ATOM 815 CB LEU A 468 -3.442 1.585 -2.422 1.00 0.00 C ATOM 816 CG LEU A 468 -1.967 1.733 -2.046 1.00 0.00 C ATOM 817 CD1 LEU A 468 -1.822 2.029 -0.561 1.00 0.00 C ATOM 818 CD2 LEU A 468 -1.193 0.477 -2.419 1.00 0.00 C ATOM 0 H LEU A 468 -4.692 3.239 -4.509 1.00 0.00 H new ATOM 0 HA LEU A 468 -2.953 0.888 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -3.984 2.446 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -3.838 0.703 -1.919 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.552 2.571 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.766 2.131 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -2.342 2.957 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -2.254 1.212 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -0.145 0.600 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.609 -0.378 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -1.269 0.308 -3.493 1.00 0.00 H new ATOM 830 N ARG A 469 -4.988 -0.487 -4.644 1.00 0.00 N ATOM 831 CA ARG A 469 -6.178 -1.292 -4.890 1.00 0.00 C ATOM 832 C ARG A 469 -6.024 -2.687 -4.291 1.00 0.00 C ATOM 833 O ARG A 469 -5.054 -3.392 -4.572 1.00 0.00 O ATOM 834 CB ARG A 469 -6.448 -1.397 -6.392 1.00 0.00 C ATOM 835 CG ARG A 469 -7.127 -0.168 -6.976 1.00 0.00 C ATOM 836 CD ARG A 469 -8.603 -0.123 -6.614 1.00 0.00 C ATOM 837 NE ARG A 469 -9.423 -0.873 -7.563 1.00 0.00 N ATOM 838 CZ ARG A 469 -10.744 -0.972 -7.473 1.00 0.00 C ATOM 839 NH1 ARG A 469 -11.393 -0.373 -6.484 1.00 0.00 N ATOM 840 NH2 ARG A 469 -11.420 -1.673 -8.376 1.00 0.00 N ATOM 0 H ARG A 469 -4.112 -0.939 -4.905 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.024 -0.800 -4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -5.504 -1.562 -6.912 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -7.072 -2.271 -6.580 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -6.633 0.731 -6.608 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -7.017 -0.171 -8.060 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -8.743 -0.530 -5.613 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -8.938 0.914 -6.586 1.00 0.00 H new ATOM 0 HE ARG A 469 -8.955 -1.346 -8.336 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -10.877 0.166 -5.789 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -12.408 -0.452 -6.419 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -10.924 -2.135 -9.138 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -12.435 -1.749 -8.307 1.00 0.00 H new ATOM 854 N LYS A 470 -6.987 -3.080 -3.464 1.00 0.00 N ATOM 855 CA LYS A 470 -6.961 -4.391 -2.826 1.00 0.00 C ATOM 856 C LYS A 470 -7.510 -5.463 -3.761 1.00 0.00 C ATOM 857 O LYS A 470 -8.619 -5.337 -4.281 1.00 0.00 O ATOM 858 CB LYS A 470 -7.772 -4.366 -1.529 1.00 0.00 C ATOM 859 CG LYS A 470 -9.242 -4.046 -1.737 1.00 0.00 C ATOM 860 CD LYS A 470 -9.988 -3.961 -0.416 1.00 0.00 C ATOM 861 CE LYS A 470 -9.728 -2.637 0.287 1.00 0.00 C ATOM 862 NZ LYS A 470 -10.465 -1.514 -0.356 1.00 0.00 N ATOM 0 H LYS A 470 -7.796 -2.509 -3.220 1.00 0.00 H new ATOM 0 HA LYS A 470 -5.924 -4.633 -2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 470 -7.686 -5.335 -1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 470 -7.340 -3.627 -0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 470 -9.337 -3.100 -2.271 1.00 0.00 H new ATOM 0 HG3 LYS A 470 -9.697 -4.813 -2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 470 -11.057 -4.076 -0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 470 -9.681 -4.784 0.230 1.00 0.00 H new ATOM 0 HE2 LYS A 470 -10.026 -2.716 1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 470 -8.659 -2.424 0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 -10.724 -0.811 0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 -9.859 -1.067 -1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 -11.327 -1.879 -0.809 1.00 0.00 H new ATOM 876 N TYR A 471 -6.729 -6.517 -3.970 1.00 0.00 N ATOM 877 CA TYR A 471 -7.138 -7.610 -4.843 1.00 0.00 C ATOM 878 C TYR A 471 -7.201 -8.927 -4.075 1.00 0.00 C ATOM 879 O TYR A 471 -6.822 -8.994 -2.907 1.00 0.00 O ATOM 880 CB TYR A 471 -6.169 -7.740 -6.020 1.00 0.00 C ATOM 881 CG TYR A 471 -4.811 -8.278 -5.630 1.00 0.00 C ATOM 882 CD1 TYR A 471 -4.578 -9.646 -5.559 1.00 0.00 C ATOM 883 CD2 TYR A 471 -3.761 -7.419 -5.331 1.00 0.00 C ATOM 884 CE1 TYR A 471 -3.339 -10.142 -5.203 1.00 0.00 C ATOM 885 CE2 TYR A 471 -2.518 -7.906 -4.975 1.00 0.00 C ATOM 886 CZ TYR A 471 -2.312 -9.268 -4.912 1.00 0.00 C ATOM 887 OH TYR A 471 -1.076 -9.757 -4.557 1.00 0.00 O ATOM 0 H TYR A 471 -5.809 -6.637 -3.546 1.00 0.00 H new ATOM 0 HA TYR A 471 -8.134 -7.384 -5.223 1.00 0.00 H new ATOM 0 HB2 TYR A 471 -6.609 -8.397 -6.771 1.00 0.00 H new ATOM 0 HB3 TYR A 471 -6.043 -6.763 -6.486 1.00 0.00 H new ATOM 0 HD1 TYR A 471 -5.380 -10.333 -5.786 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -3.919 -6.352 -5.378 1.00 0.00 H new ATOM 0 HE1 TYR A 471 -3.175 -11.208 -5.153 1.00 0.00 H new ATOM 0 HE2 TYR A 471 -1.712 -7.224 -4.747 1.00 0.00 H new ATOM 0 HH TYR A 471 -0.930 -10.623 -4.992 1.00 0.00 H new TER 897 TYR A 471