USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=14 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 49:sc= 0.00764 USER MOD Single : A 421 GLN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 425 ASN : amide:sc= -0.205 K(o=-0.2,f=-2.5!) USER MOD Single : A 429 CYS SG : rot 180:sc= -0.305 USER MOD Single : A 435 ASN : amide:sc= -0.142 K(o=-0.14,f=-1.9) USER MOD Single : A 437 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 SER OG : rot 5:sc= 0.372 USER MOD Single : A 446 ASN :FLIP amide:sc= -0.133 F(o=-1.8!,f=-0.13) USER MOD Single : A 447 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.079) USER MOD Single : A 449 THR OG1 : rot 180:sc= 0 USER MOD Single : A 451 MET CE :methyl 153:sc= -0.735 (180deg=-1.66!) USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 HIS : no HD1:sc= -0.122 K(o=-0.12,f=-4.2!) USER MOD Single : A 458 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.415) USER MOD Single : A 460 MET CE :methyl 145:sc= -1.62 (180deg=-5.28!) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 470 LYS NZ :NH3+ -154:sc= -0.133 (180deg=-0.577) USER MOD Single : A 471 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 413 -6.094 3.209 17.155 1.00 0.00 N ATOM 2 CA GLY A 413 -6.427 2.052 17.965 1.00 0.00 C ATOM 3 C GLY A 413 -7.176 0.992 17.182 1.00 0.00 C ATOM 4 O GLY A 413 -6.848 0.716 16.028 1.00 0.00 O ATOM 0 HA2 GLY A 413 -5.512 1.621 18.371 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -7.033 2.369 18.814 1.00 0.00 H new ATOM 8 N SER A 414 -8.183 0.395 17.811 1.00 0.00 N ATOM 9 CA SER A 414 -8.977 -0.645 17.167 1.00 0.00 C ATOM 10 C SER A 414 -10.416 -0.182 16.962 1.00 0.00 C ATOM 11 O SER A 414 -10.935 -0.207 15.846 1.00 0.00 O ATOM 12 CB SER A 414 -8.956 -1.924 18.006 1.00 0.00 C ATOM 13 OG SER A 414 -7.628 -2.359 18.241 1.00 0.00 O ATOM 0 H SER A 414 -8.468 0.613 18.766 1.00 0.00 H new ATOM 0 HA SER A 414 -8.538 -0.851 16.191 1.00 0.00 H new ATOM 0 HB2 SER A 414 -9.457 -1.747 18.957 1.00 0.00 H new ATOM 0 HB3 SER A 414 -9.513 -2.708 17.493 1.00 0.00 H new ATOM 0 HG SER A 414 -7.642 -3.177 18.781 1.00 0.00 H new ATOM 19 N SER A 415 -11.055 0.242 18.047 1.00 0.00 N ATOM 20 CA SER A 415 -12.436 0.708 17.988 1.00 0.00 C ATOM 21 C SER A 415 -12.551 1.957 17.119 1.00 0.00 C ATOM 22 O SER A 415 -11.728 2.867 17.208 1.00 0.00 O ATOM 23 CB SER A 415 -12.957 1.004 19.396 1.00 0.00 C ATOM 24 OG SER A 415 -12.257 2.087 19.983 1.00 0.00 O ATOM 0 H SER A 415 -10.639 0.273 18.978 1.00 0.00 H new ATOM 0 HA SER A 415 -13.041 -0.081 17.542 1.00 0.00 H new ATOM 0 HB2 SER A 415 -14.021 1.236 19.352 1.00 0.00 H new ATOM 0 HB3 SER A 415 -12.850 0.117 20.020 1.00 0.00 H new ATOM 0 HG SER A 415 -12.610 2.257 20.881 1.00 0.00 H new ATOM 30 N GLY A 416 -13.580 1.992 16.278 1.00 0.00 N ATOM 31 CA GLY A 416 -13.785 3.132 15.404 1.00 0.00 C ATOM 32 C GLY A 416 -13.117 2.956 14.054 1.00 0.00 C ATOM 33 O GLY A 416 -12.294 3.777 13.650 1.00 0.00 O ATOM 0 H GLY A 416 -14.275 1.251 16.186 1.00 0.00 H new ATOM 0 HA2 GLY A 416 -14.854 3.287 15.259 1.00 0.00 H new ATOM 0 HA3 GLY A 416 -13.395 4.029 15.885 1.00 0.00 H new ATOM 37 N SER A 417 -13.470 1.881 13.356 1.00 0.00 N ATOM 38 CA SER A 417 -12.894 1.597 12.047 1.00 0.00 C ATOM 39 C SER A 417 -12.713 2.881 11.243 1.00 0.00 C ATOM 40 O SER A 417 -13.676 3.436 10.713 1.00 0.00 O ATOM 41 CB SER A 417 -13.784 0.621 11.276 1.00 0.00 C ATOM 42 OG SER A 417 -13.274 0.383 9.976 1.00 0.00 O ATOM 0 H SER A 417 -14.152 1.193 13.675 1.00 0.00 H new ATOM 0 HA SER A 417 -11.915 1.143 12.199 1.00 0.00 H new ATOM 0 HB2 SER A 417 -13.853 -0.321 11.821 1.00 0.00 H new ATOM 0 HB3 SER A 417 -14.794 1.024 11.205 1.00 0.00 H new ATOM 0 HG SER A 417 -13.860 -0.245 9.505 1.00 0.00 H new ATOM 48 N SER A 418 -11.471 3.348 11.157 1.00 0.00 N ATOM 49 CA SER A 418 -11.163 4.568 10.421 1.00 0.00 C ATOM 50 C SER A 418 -10.827 4.256 8.966 1.00 0.00 C ATOM 51 O SER A 418 -9.661 4.099 8.606 1.00 0.00 O ATOM 52 CB SER A 418 -9.994 5.304 11.079 1.00 0.00 C ATOM 53 OG SER A 418 -10.435 6.082 12.179 1.00 0.00 O ATOM 0 H SER A 418 -10.662 2.900 11.588 1.00 0.00 H new ATOM 0 HA SER A 418 -12.045 5.208 10.442 1.00 0.00 H new ATOM 0 HB2 SER A 418 -9.249 4.583 11.415 1.00 0.00 H new ATOM 0 HB3 SER A 418 -9.507 5.948 10.346 1.00 0.00 H new ATOM 0 HG SER A 418 -11.010 5.537 12.756 1.00 0.00 H new ATOM 59 N GLY A 419 -11.860 4.166 8.133 1.00 0.00 N ATOM 60 CA GLY A 419 -11.655 3.872 6.727 1.00 0.00 C ATOM 61 C GLY A 419 -11.159 2.458 6.496 1.00 0.00 C ATOM 62 O GLY A 419 -11.682 1.507 7.077 1.00 0.00 O ATOM 0 H GLY A 419 -12.834 4.291 8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -12.591 4.018 6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -10.936 4.578 6.313 1.00 0.00 H new ATOM 66 N PHE A 420 -10.149 2.319 5.644 1.00 0.00 N ATOM 67 CA PHE A 420 -9.584 1.011 5.336 1.00 0.00 C ATOM 68 C PHE A 420 -8.704 0.515 6.480 1.00 0.00 C ATOM 69 O PHE A 420 -8.180 1.308 7.261 1.00 0.00 O ATOM 70 CB PHE A 420 -8.769 1.075 4.042 1.00 0.00 C ATOM 71 CG PHE A 420 -9.604 1.337 2.821 1.00 0.00 C ATOM 72 CD1 PHE A 420 -10.035 2.620 2.522 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.957 0.301 1.972 1.00 0.00 C ATOM 74 CE1 PHE A 420 -10.803 2.863 1.400 1.00 0.00 C ATOM 75 CE2 PHE A 420 -10.725 0.539 0.847 1.00 0.00 C ATOM 76 CZ PHE A 420 -11.148 1.822 0.561 1.00 0.00 C ATOM 0 H PHE A 420 -9.705 3.096 5.155 1.00 0.00 H new ATOM 0 HA PHE A 420 -10.408 0.310 5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -8.017 1.859 4.134 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -8.234 0.134 3.912 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -9.767 3.439 3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -9.629 -0.704 2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -11.134 3.867 1.179 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -10.994 -0.277 0.193 1.00 0.00 H new ATOM 0 HZ PHE A 420 -11.748 2.011 -0.317 1.00 0.00 H new ATOM 86 N GLN A 421 -8.548 -0.802 6.571 1.00 0.00 N ATOM 87 CA GLN A 421 -7.734 -1.404 7.619 1.00 0.00 C ATOM 88 C GLN A 421 -6.507 -2.091 7.029 1.00 0.00 C ATOM 89 O GLN A 421 -6.571 -2.741 5.985 1.00 0.00 O ATOM 90 CB GLN A 421 -8.560 -2.411 8.421 1.00 0.00 C ATOM 91 CG GLN A 421 -9.831 -1.823 9.011 1.00 0.00 C ATOM 92 CD GLN A 421 -9.588 -1.111 10.328 1.00 0.00 C ATOM 93 OE1 GLN A 421 -9.914 -1.629 11.396 1.00 0.00 O ATOM 94 NE2 GLN A 421 -9.013 0.084 10.258 1.00 0.00 N ATOM 0 H GLN A 421 -8.975 -1.472 5.931 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.398 -0.609 8.284 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -8.823 -3.249 7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -7.946 -2.811 9.228 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -10.268 -1.123 8.299 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -10.559 -2.620 9.162 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -8.759 0.475 9.351 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -8.825 0.610 11.111 1.00 0.00 H new ATOM 103 N PRO A 422 -5.360 -1.943 7.709 1.00 0.00 N ATOM 104 CA PRO A 422 -4.096 -2.542 7.271 1.00 0.00 C ATOM 105 C PRO A 422 -4.096 -4.061 7.407 1.00 0.00 C ATOM 106 O PRO A 422 -4.989 -4.638 8.026 1.00 0.00 O ATOM 107 CB PRO A 422 -3.063 -1.921 8.214 1.00 0.00 C ATOM 108 CG PRO A 422 -3.835 -1.560 9.436 1.00 0.00 C ATOM 109 CD PRO A 422 -5.210 -1.181 8.960 1.00 0.00 C ATOM 0 HA PRO A 422 -3.899 -2.351 6.216 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -2.263 -2.625 8.444 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.596 -1.043 7.767 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.880 -2.398 10.131 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.363 -0.732 9.965 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.975 -1.449 9.688 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -5.295 -0.108 8.789 1.00 0.00 H new ATOM 117 N GLY A 423 -3.088 -4.703 6.824 1.00 0.00 N ATOM 118 CA GLY A 423 -2.992 -6.150 6.893 1.00 0.00 C ATOM 119 C GLY A 423 -3.515 -6.826 5.641 1.00 0.00 C ATOM 120 O GLY A 423 -3.159 -7.968 5.349 1.00 0.00 O ATOM 0 H GLY A 423 -2.337 -4.248 6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.951 -6.435 7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -3.553 -6.508 7.757 1.00 0.00 H new ATOM 124 N ASP A 424 -4.364 -6.121 4.901 1.00 0.00 N ATOM 125 CA ASP A 424 -4.938 -6.660 3.674 1.00 0.00 C ATOM 126 C ASP A 424 -4.008 -6.422 2.488 1.00 0.00 C ATOM 127 O ASP A 424 -3.393 -5.364 2.372 1.00 0.00 O ATOM 128 CB ASP A 424 -6.303 -6.026 3.403 1.00 0.00 C ATOM 129 CG ASP A 424 -7.312 -6.337 4.491 1.00 0.00 C ATOM 130 OD1 ASP A 424 -7.544 -7.534 4.762 1.00 0.00 O ATOM 131 OD2 ASP A 424 -7.870 -5.383 5.072 1.00 0.00 O ATOM 0 H ASP A 424 -4.670 -5.175 5.130 1.00 0.00 H new ATOM 0 HA ASP A 424 -5.064 -7.735 3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -6.188 -4.946 3.316 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -6.683 -6.384 2.446 1.00 0.00 H new ATOM 136 N ASN A 425 -3.912 -7.415 1.610 1.00 0.00 N ATOM 137 CA ASN A 425 -3.055 -7.314 0.433 1.00 0.00 C ATOM 138 C ASN A 425 -3.654 -6.358 -0.594 1.00 0.00 C ATOM 139 O ASN A 425 -4.872 -6.207 -0.682 1.00 0.00 O ATOM 140 CB ASN A 425 -2.852 -8.694 -0.195 1.00 0.00 C ATOM 141 CG ASN A 425 -2.162 -9.662 0.747 1.00 0.00 C ATOM 142 OD1 ASN A 425 -2.594 -9.855 1.883 1.00 0.00 O ATOM 143 ND2 ASN A 425 -1.082 -10.277 0.277 1.00 0.00 N ATOM 0 H ASN A 425 -4.416 -8.298 1.691 1.00 0.00 H new ATOM 0 HA ASN A 425 -2.089 -6.921 0.749 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -3.819 -9.103 -0.487 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -2.260 -8.593 -1.105 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -0.576 -10.939 0.865 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -0.759 -10.087 -0.672 1.00 0.00 H new ATOM 150 N VAL A 426 -2.787 -5.716 -1.372 1.00 0.00 N ATOM 151 CA VAL A 426 -3.229 -4.776 -2.395 1.00 0.00 C ATOM 152 C VAL A 426 -2.176 -4.616 -3.486 1.00 0.00 C ATOM 153 O VAL A 426 -1.121 -5.248 -3.440 1.00 0.00 O ATOM 154 CB VAL A 426 -3.541 -3.394 -1.791 1.00 0.00 C ATOM 155 CG1 VAL A 426 -4.736 -3.479 -0.852 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.322 -2.842 -1.067 1.00 0.00 C ATOM 0 H VAL A 426 -1.775 -5.830 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.140 -5.187 -2.830 1.00 0.00 H new ATOM 0 HB VAL A 426 -3.794 -2.711 -2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -4.942 -2.493 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.608 -3.829 -1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -4.515 -4.176 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -2.560 -1.865 -0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -2.036 -3.523 -0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.495 -2.742 -1.770 1.00 0.00 H new ATOM 166 N GLU A 427 -2.470 -3.766 -4.464 1.00 0.00 N ATOM 167 CA GLU A 427 -1.548 -3.523 -5.567 1.00 0.00 C ATOM 168 C GLU A 427 -1.772 -2.139 -6.170 1.00 0.00 C ATOM 169 O GLU A 427 -2.860 -1.572 -6.064 1.00 0.00 O ATOM 170 CB GLU A 427 -1.715 -4.594 -6.647 1.00 0.00 C ATOM 171 CG GLU A 427 -0.740 -4.451 -7.803 1.00 0.00 C ATOM 172 CD GLU A 427 -1.096 -5.337 -8.981 1.00 0.00 C ATOM 173 OE1 GLU A 427 -2.304 -5.531 -9.234 1.00 0.00 O ATOM 174 OE2 GLU A 427 -0.167 -5.837 -9.649 1.00 0.00 O ATOM 0 H GLU A 427 -3.339 -3.234 -4.515 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.533 -3.569 -5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -1.587 -5.577 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.733 -4.552 -7.034 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -0.719 -3.411 -8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 427 0.264 -4.697 -7.459 1.00 0.00 H new ATOM 181 N VAL A 428 -0.735 -1.600 -6.802 1.00 0.00 N ATOM 182 CA VAL A 428 -0.818 -0.283 -7.422 1.00 0.00 C ATOM 183 C VAL A 428 -1.445 -0.367 -8.809 1.00 0.00 C ATOM 184 O VAL A 428 -1.044 -1.188 -9.634 1.00 0.00 O ATOM 185 CB VAL A 428 0.572 0.371 -7.538 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.450 1.798 -8.051 1.00 0.00 C ATOM 187 CG2 VAL A 428 1.290 0.338 -6.197 1.00 0.00 C ATOM 0 H VAL A 428 0.173 -2.055 -6.898 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.448 0.331 -6.778 1.00 0.00 H new ATOM 0 HB VAL A 428 1.163 -0.198 -8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.442 2.244 -8.126 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -0.021 1.792 -9.034 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.159 2.382 -7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 428 2.270 0.804 -6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.704 0.882 -5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.411 -0.696 -5.875 1.00 0.00 H new ATOM 197 N CYS A 429 -2.430 0.489 -9.059 1.00 0.00 N ATOM 198 CA CYS A 429 -3.114 0.511 -10.347 1.00 0.00 C ATOM 199 C CYS A 429 -2.372 1.398 -11.341 1.00 0.00 C ATOM 200 O CYS A 429 -2.264 1.067 -12.522 1.00 0.00 O ATOM 201 CB CYS A 429 -4.551 1.008 -10.176 1.00 0.00 C ATOM 202 SG CYS A 429 -4.678 2.677 -9.492 1.00 0.00 S ATOM 0 H CYS A 429 -2.772 1.176 -8.387 1.00 0.00 H new ATOM 0 HA CYS A 429 -3.133 -0.506 -10.738 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -5.050 0.985 -11.145 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -5.088 0.318 -9.525 1.00 0.00 H new ATOM 0 HG CYS A 429 -5.931 3.009 -9.387 1.00 0.00 H new ATOM 208 N GLU A 430 -1.862 2.525 -10.856 1.00 0.00 N ATOM 209 CA GLU A 430 -1.132 3.460 -11.703 1.00 0.00 C ATOM 210 C GLU A 430 -0.014 4.145 -10.921 1.00 0.00 C ATOM 211 O GLU A 430 0.026 4.085 -9.693 1.00 0.00 O ATOM 212 CB GLU A 430 -2.083 4.510 -12.280 1.00 0.00 C ATOM 213 CG GLU A 430 -1.516 5.252 -13.479 1.00 0.00 C ATOM 214 CD GLU A 430 -2.571 6.041 -14.230 1.00 0.00 C ATOM 215 OE1 GLU A 430 -3.424 6.670 -13.569 1.00 0.00 O ATOM 216 OE2 GLU A 430 -2.544 6.029 -15.478 1.00 0.00 O ATOM 0 H GLU A 430 -1.941 2.813 -9.881 1.00 0.00 H new ATOM 0 HA GLU A 430 -0.686 2.896 -12.522 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -3.014 4.024 -12.571 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -2.330 5.231 -11.501 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -0.731 5.930 -13.144 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -1.051 4.537 -14.158 1.00 0.00 H new ATOM 223 N GLY A 431 0.893 4.796 -11.644 1.00 0.00 N ATOM 224 CA GLY A 431 1.999 5.482 -11.002 1.00 0.00 C ATOM 225 C GLY A 431 3.305 4.725 -11.134 1.00 0.00 C ATOM 226 O GLY A 431 3.309 3.507 -11.308 1.00 0.00 O ATOM 0 H GLY A 431 0.881 4.860 -12.662 1.00 0.00 H new ATOM 0 HA2 GLY A 431 2.111 6.474 -11.441 1.00 0.00 H new ATOM 0 HA3 GLY A 431 1.770 5.625 -9.946 1.00 0.00 H new ATOM 230 N GLU A 432 4.418 5.449 -11.052 1.00 0.00 N ATOM 231 CA GLU A 432 5.736 4.837 -11.166 1.00 0.00 C ATOM 232 C GLU A 432 5.799 3.529 -10.382 1.00 0.00 C ATOM 233 O GLU A 432 6.558 2.622 -10.726 1.00 0.00 O ATOM 234 CB GLU A 432 6.815 5.799 -10.662 1.00 0.00 C ATOM 235 CG GLU A 432 7.233 6.836 -11.691 1.00 0.00 C ATOM 236 CD GLU A 432 8.302 6.322 -12.636 1.00 0.00 C ATOM 237 OE1 GLU A 432 8.295 5.111 -12.938 1.00 0.00 O ATOM 238 OE2 GLU A 432 9.146 7.133 -13.073 1.00 0.00 O ATOM 0 H GLU A 432 4.432 6.459 -10.907 1.00 0.00 H new ATOM 0 HA GLU A 432 5.917 4.618 -12.218 1.00 0.00 H new ATOM 0 HB2 GLU A 432 6.448 6.310 -9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 432 7.691 5.224 -10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 432 6.360 7.142 -12.268 1.00 0.00 H new ATOM 0 HG3 GLU A 432 7.603 7.723 -11.177 1.00 0.00 H new ATOM 245 N LEU A 433 4.997 3.440 -9.327 1.00 0.00 N ATOM 246 CA LEU A 433 4.961 2.244 -8.493 1.00 0.00 C ATOM 247 C LEU A 433 3.834 1.312 -8.926 1.00 0.00 C ATOM 248 O LEU A 433 3.151 0.719 -8.091 1.00 0.00 O ATOM 249 CB LEU A 433 4.783 2.629 -7.023 1.00 0.00 C ATOM 250 CG LEU A 433 5.993 3.278 -6.348 1.00 0.00 C ATOM 251 CD1 LEU A 433 5.564 4.041 -5.104 1.00 0.00 C ATOM 252 CD2 LEU A 433 7.035 2.226 -5.998 1.00 0.00 C ATOM 0 H LEU A 433 4.363 4.181 -9.029 1.00 0.00 H new ATOM 0 HA LEU A 433 5.908 1.719 -8.613 1.00 0.00 H new ATOM 0 HB2 LEU A 433 3.939 3.314 -6.947 1.00 0.00 H new ATOM 0 HB3 LEU A 433 4.517 1.733 -6.463 1.00 0.00 H new ATOM 0 HG LEU A 433 6.440 3.985 -7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 433 6.437 4.496 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 433 4.854 4.820 -5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 433 5.093 3.355 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 433 7.889 2.705 -5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 433 6.599 1.495 -5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.364 1.723 -6.907 1.00 0.00 H new ATOM 264 N ILE A 434 3.647 1.187 -10.235 1.00 0.00 N ATOM 265 CA ILE A 434 2.605 0.325 -10.779 1.00 0.00 C ATOM 266 C ILE A 434 3.049 -1.134 -10.789 1.00 0.00 C ATOM 267 O ILE A 434 4.238 -1.432 -10.687 1.00 0.00 O ATOM 268 CB ILE A 434 2.218 0.742 -12.210 1.00 0.00 C ATOM 269 CG1 ILE A 434 0.964 -0.009 -12.662 1.00 0.00 C ATOM 270 CG2 ILE A 434 3.371 0.483 -13.167 1.00 0.00 C ATOM 271 CD1 ILE A 434 0.392 0.500 -13.967 1.00 0.00 C ATOM 0 H ILE A 434 4.204 1.672 -10.939 1.00 0.00 H new ATOM 0 HA ILE A 434 1.735 0.434 -10.131 1.00 0.00 H new ATOM 0 HB ILE A 434 2.000 1.810 -12.215 1.00 0.00 H new ATOM 0 HG12 ILE A 434 1.202 -1.067 -12.767 1.00 0.00 H new ATOM 0 HG13 ILE A 434 0.203 0.071 -11.886 1.00 0.00 H new ATOM 0 HG21 ILE A 434 3.082 0.783 -14.174 1.00 0.00 H new ATOM 0 HG22 ILE A 434 4.241 1.059 -12.853 1.00 0.00 H new ATOM 0 HG23 ILE A 434 3.617 -0.579 -13.161 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -0.495 -0.078 -14.226 1.00 0.00 H new ATOM 0 HD12 ILE A 434 0.122 1.551 -13.861 1.00 0.00 H new ATOM 0 HD13 ILE A 434 1.137 0.395 -14.756 1.00 0.00 H new ATOM 283 N ASN A 435 2.084 -2.040 -10.915 1.00 0.00 N ATOM 284 CA ASN A 435 2.376 -3.469 -10.941 1.00 0.00 C ATOM 285 C ASN A 435 3.172 -3.883 -9.707 1.00 0.00 C ATOM 286 O ASN A 435 3.957 -4.831 -9.751 1.00 0.00 O ATOM 287 CB ASN A 435 3.153 -3.829 -12.208 1.00 0.00 C ATOM 288 CG ASN A 435 2.268 -3.866 -13.439 1.00 0.00 C ATOM 289 OD1 ASN A 435 1.118 -3.429 -13.403 1.00 0.00 O ATOM 290 ND2 ASN A 435 2.802 -4.389 -14.536 1.00 0.00 N ATOM 0 H ASN A 435 1.094 -1.810 -11.001 1.00 0.00 H new ATOM 0 HA ASN A 435 1.429 -4.009 -10.939 1.00 0.00 H new ATOM 0 HB2 ASN A 435 3.951 -3.103 -12.360 1.00 0.00 H new ATOM 0 HB3 ASN A 435 3.628 -4.801 -12.076 1.00 0.00 H new ATOM 0 HD21 ASN A 435 2.255 -4.441 -15.395 1.00 0.00 H new ATOM 0 HD22 ASN A 435 3.760 -4.739 -14.520 1.00 0.00 H new ATOM 297 N LEU A 436 2.963 -3.168 -8.607 1.00 0.00 N ATOM 298 CA LEU A 436 3.660 -3.462 -7.360 1.00 0.00 C ATOM 299 C LEU A 436 2.700 -4.030 -6.320 1.00 0.00 C ATOM 300 O LEU A 436 1.909 -3.298 -5.726 1.00 0.00 O ATOM 301 CB LEU A 436 4.328 -2.197 -6.816 1.00 0.00 C ATOM 302 CG LEU A 436 5.094 -2.355 -5.503 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.362 -3.166 -5.718 1.00 0.00 C ATOM 304 CD2 LEU A 436 5.425 -0.992 -4.911 1.00 0.00 C ATOM 0 H LEU A 436 2.317 -2.381 -8.553 1.00 0.00 H new ATOM 0 HA LEU A 436 4.425 -4.210 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 436 5.017 -1.820 -7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 436 3.560 -1.436 -6.676 1.00 0.00 H new ATOM 0 HG LEU A 436 4.460 -2.892 -4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 436 6.894 -3.268 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 436 6.102 -4.155 -6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 436 7.001 -2.658 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 436 5.970 -1.124 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 436 6.040 -0.430 -5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.502 -0.445 -4.718 1.00 0.00 H new ATOM 316 N GLN A 437 2.777 -5.339 -6.105 1.00 0.00 N ATOM 317 CA GLN A 437 1.915 -6.005 -5.135 1.00 0.00 C ATOM 318 C GLN A 437 2.539 -5.978 -3.743 1.00 0.00 C ATOM 319 O GLN A 437 3.757 -6.064 -3.596 1.00 0.00 O ATOM 320 CB GLN A 437 1.654 -7.451 -5.561 1.00 0.00 C ATOM 321 CG GLN A 437 2.921 -8.236 -5.859 1.00 0.00 C ATOM 322 CD GLN A 437 2.648 -9.699 -6.148 1.00 0.00 C ATOM 323 OE1 GLN A 437 2.021 -10.039 -7.151 1.00 0.00 O ATOM 324 NE2 GLN A 437 3.118 -10.574 -5.267 1.00 0.00 N ATOM 0 H GLN A 437 3.427 -5.959 -6.589 1.00 0.00 H new ATOM 0 HA GLN A 437 0.968 -5.467 -5.099 1.00 0.00 H new ATOM 0 HB2 GLN A 437 1.099 -7.959 -4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 437 1.020 -7.451 -6.447 1.00 0.00 H new ATOM 0 HG2 GLN A 437 3.428 -7.789 -6.714 1.00 0.00 H new ATOM 0 HG3 GLN A 437 3.600 -8.158 -5.010 1.00 0.00 H new ATOM 0 HE21 GLN A 437 3.633 -10.248 -4.449 1.00 0.00 H new ATOM 0 HE22 GLN A 437 2.964 -11.572 -5.408 1.00 0.00 H new ATOM 333 N GLY A 438 1.694 -5.857 -2.724 1.00 0.00 N ATOM 334 CA GLY A 438 2.181 -5.819 -1.357 1.00 0.00 C ATOM 335 C GLY A 438 1.059 -5.894 -0.340 1.00 0.00 C ATOM 336 O GLY A 438 -0.100 -6.107 -0.697 1.00 0.00 O ATOM 0 H GLY A 438 0.681 -5.785 -2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 438 2.869 -6.649 -1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 438 2.747 -4.901 -1.202 1.00 0.00 H new ATOM 340 N LYS A 439 1.404 -5.721 0.932 1.00 0.00 N ATOM 341 CA LYS A 439 0.418 -5.771 2.005 1.00 0.00 C ATOM 342 C LYS A 439 0.362 -4.443 2.753 1.00 0.00 C ATOM 343 O LYS A 439 1.360 -3.727 2.843 1.00 0.00 O ATOM 344 CB LYS A 439 0.752 -6.903 2.979 1.00 0.00 C ATOM 345 CG LYS A 439 1.742 -6.504 4.059 1.00 0.00 C ATOM 346 CD LYS A 439 2.543 -7.699 4.550 1.00 0.00 C ATOM 347 CE LYS A 439 3.561 -8.151 3.514 1.00 0.00 C ATOM 348 NZ LYS A 439 4.449 -9.224 4.041 1.00 0.00 N ATOM 0 H LYS A 439 2.359 -5.545 1.245 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.559 -5.959 1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 439 -0.168 -7.248 3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 439 1.158 -7.745 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 439 2.421 -5.745 3.669 1.00 0.00 H new ATOM 0 HG3 LYS A 439 1.207 -6.054 4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 439 3.056 -7.439 5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 439 1.867 -8.522 4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 439 3.041 -8.513 2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 439 4.166 -7.299 3.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 5.128 -9.505 3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 4.965 -8.871 4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 3.875 -10.047 4.314 1.00 0.00 H new ATOM 362 N ILE A 440 -0.811 -4.120 3.289 1.00 0.00 N ATOM 363 CA ILE A 440 -0.995 -2.880 4.031 1.00 0.00 C ATOM 364 C ILE A 440 -0.523 -3.026 5.474 1.00 0.00 C ATOM 365 O ILE A 440 -0.629 -4.101 6.067 1.00 0.00 O ATOM 366 CB ILE A 440 -2.470 -2.436 4.028 1.00 0.00 C ATOM 367 CG1 ILE A 440 -3.033 -2.471 2.606 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.605 -1.042 4.623 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.541 -2.578 2.556 1.00 0.00 C ATOM 0 H ILE A 440 -1.647 -4.700 3.223 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.394 -2.121 3.530 1.00 0.00 H new ATOM 0 HB ILE A 440 -3.044 -3.129 4.643 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.723 -1.569 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.599 -3.317 2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.653 -0.742 4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -2.238 -1.047 5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -2.021 -0.336 4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.870 -2.598 1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.857 -3.494 3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.984 -1.719 3.061 1.00 0.00 H new ATOM 381 N LEU A 441 -0.003 -1.940 6.034 1.00 0.00 N ATOM 382 CA LEU A 441 0.484 -1.946 7.409 1.00 0.00 C ATOM 383 C LEU A 441 -0.339 -1.006 8.282 1.00 0.00 C ATOM 384 O LEU A 441 -0.711 -1.350 9.404 1.00 0.00 O ATOM 385 CB LEU A 441 1.958 -1.539 7.450 1.00 0.00 C ATOM 386 CG LEU A 441 2.972 -2.676 7.317 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.381 -2.121 7.177 1.00 0.00 C ATOM 388 CD2 LEU A 441 2.882 -3.613 8.513 1.00 0.00 C ATOM 0 H LEU A 441 0.092 -1.043 5.557 1.00 0.00 H new ATOM 0 HA LEU A 441 0.382 -2.958 7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.139 -0.822 6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.145 -1.020 8.390 1.00 0.00 H new ATOM 0 HG LEU A 441 2.737 -3.244 6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.089 -2.945 7.084 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.438 -1.491 6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 441 4.628 -1.529 8.058 1.00 0.00 H new ATOM 0 HD21 LEU A 441 3.611 -4.416 8.402 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.091 -3.057 9.427 1.00 0.00 H new ATOM 0 HD23 LEU A 441 1.880 -4.038 8.568 1.00 0.00 H new ATOM 400 N SER A 442 -0.623 0.183 7.760 1.00 0.00 N ATOM 401 CA SER A 442 -1.401 1.175 8.493 1.00 0.00 C ATOM 402 C SER A 442 -2.101 2.133 7.534 1.00 0.00 C ATOM 403 O SER A 442 -1.754 2.214 6.356 1.00 0.00 O ATOM 404 CB SER A 442 -0.499 1.958 9.448 1.00 0.00 C ATOM 405 OG SER A 442 -0.029 1.132 10.499 1.00 0.00 O ATOM 0 H SER A 442 -0.326 0.483 6.832 1.00 0.00 H new ATOM 0 HA SER A 442 -2.160 0.650 9.072 1.00 0.00 H new ATOM 0 HB2 SER A 442 0.348 2.369 8.898 1.00 0.00 H new ATOM 0 HB3 SER A 442 -1.050 2.802 9.863 1.00 0.00 H new ATOM 0 HG SER A 442 -0.321 0.209 10.345 1.00 0.00 H new ATOM 411 N VAL A 443 -3.089 2.859 8.049 1.00 0.00 N ATOM 412 CA VAL A 443 -3.837 3.813 7.240 1.00 0.00 C ATOM 413 C VAL A 443 -3.860 5.190 7.895 1.00 0.00 C ATOM 414 O VAL A 443 -4.490 5.383 8.936 1.00 0.00 O ATOM 415 CB VAL A 443 -5.286 3.341 7.012 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.062 4.371 6.205 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.301 1.987 6.319 1.00 0.00 C ATOM 0 H VAL A 443 -3.389 2.804 9.022 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.329 3.880 6.278 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.772 3.233 7.982 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.083 4.021 6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.079 5.318 6.745 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.580 4.513 5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.332 1.668 6.166 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -4.798 2.066 5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.783 1.255 6.939 1.00 0.00 H new ATOM 427 N ASP A 444 -3.170 6.144 7.279 1.00 0.00 N ATOM 428 CA ASP A 444 -3.113 7.504 7.802 1.00 0.00 C ATOM 429 C ASP A 444 -4.000 8.438 6.985 1.00 0.00 C ATOM 430 O ASP A 444 -3.558 9.024 5.997 1.00 0.00 O ATOM 431 CB ASP A 444 -1.671 8.014 7.795 1.00 0.00 C ATOM 432 CG ASP A 444 -0.845 7.432 8.925 1.00 0.00 C ATOM 433 OD1 ASP A 444 -0.414 6.266 8.805 1.00 0.00 O ATOM 434 OD2 ASP A 444 -0.631 8.141 9.931 1.00 0.00 O ATOM 0 H ASP A 444 -2.643 6.001 6.418 1.00 0.00 H new ATOM 0 HA ASP A 444 -3.481 7.489 8.828 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -1.205 7.764 6.842 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -1.673 9.101 7.873 1.00 0.00 H new ATOM 439 N GLY A 445 -5.255 8.571 7.403 1.00 0.00 N ATOM 440 CA GLY A 445 -6.185 9.434 6.698 1.00 0.00 C ATOM 441 C GLY A 445 -6.188 9.184 5.203 1.00 0.00 C ATOM 442 O GLY A 445 -6.844 8.261 4.723 1.00 0.00 O ATOM 0 H GLY A 445 -5.644 8.096 8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.190 9.279 7.091 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -5.926 10.475 6.889 1.00 0.00 H new ATOM 446 N ASN A 446 -5.453 10.010 4.465 1.00 0.00 N ATOM 447 CA ASN A 446 -5.375 9.875 3.015 1.00 0.00 C ATOM 448 C ASN A 446 -4.211 8.975 2.614 1.00 0.00 C ATOM 449 O ASN A 446 -4.294 8.232 1.636 1.00 0.00 O ATOM 450 CB ASN A 446 -5.220 11.250 2.362 1.00 0.00 C ATOM 451 CG ASN A 446 -4.487 12.234 3.254 1.00 0.00 C ATOM 452 OD1 ASN A 446 -5.179 12.742 4.268 1.00 0.00 O flip ATOM 453 ND2 ASN A 446 -3.314 12.534 3.034 1.00 0.00 N flip ATOM 0 H ASN A 446 -4.903 10.779 4.847 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.301 9.417 2.667 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -4.679 11.144 1.422 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -6.206 11.648 2.120 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -2.821 12.119 2.243 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -2.835 13.198 3.642 1.00 0.00 H new ATOM 460 N LYS A 447 -3.125 9.046 3.377 1.00 0.00 N ATOM 461 CA LYS A 447 -1.943 8.237 3.104 1.00 0.00 C ATOM 462 C LYS A 447 -2.074 6.853 3.732 1.00 0.00 C ATOM 463 O LYS A 447 -2.618 6.708 4.827 1.00 0.00 O ATOM 464 CB LYS A 447 -0.689 8.934 3.635 1.00 0.00 C ATOM 465 CG LYS A 447 -0.201 10.067 2.750 1.00 0.00 C ATOM 466 CD LYS A 447 0.459 9.543 1.486 1.00 0.00 C ATOM 467 CE LYS A 447 0.712 10.659 0.484 1.00 0.00 C ATOM 468 NZ LYS A 447 1.486 10.182 -0.695 1.00 0.00 N ATOM 0 H LYS A 447 -3.039 9.656 4.190 1.00 0.00 H new ATOM 0 HA LYS A 447 -1.855 8.119 2.024 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -0.896 9.326 4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.108 8.198 3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -1.040 10.709 2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 447 0.508 10.683 3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.403 9.061 1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -0.176 8.782 1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -0.241 11.070 0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 447 1.255 11.468 0.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 2.007 10.979 -1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 2.159 9.448 -0.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 0.834 9.786 -1.401 1.00 0.00 H new ATOM 482 N ILE A 448 -1.571 5.841 3.033 1.00 0.00 N ATOM 483 CA ILE A 448 -1.630 4.470 3.525 1.00 0.00 C ATOM 484 C ILE A 448 -0.240 3.845 3.578 1.00 0.00 C ATOM 485 O ILE A 448 0.267 3.343 2.574 1.00 0.00 O ATOM 486 CB ILE A 448 -2.541 3.595 2.644 1.00 0.00 C ATOM 487 CG1 ILE A 448 -3.860 4.317 2.362 1.00 0.00 C ATOM 488 CG2 ILE A 448 -2.797 2.254 3.316 1.00 0.00 C ATOM 489 CD1 ILE A 448 -4.650 4.641 3.610 1.00 0.00 C ATOM 0 H ILE A 448 -1.118 5.945 2.125 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.045 4.513 4.532 1.00 0.00 H new ATOM 0 HB ILE A 448 -2.038 3.413 1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -3.651 5.242 1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.471 3.697 1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.442 1.646 2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -1.850 1.738 3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.283 2.416 4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -5.572 5.152 3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -4.890 3.718 4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.058 5.287 4.258 1.00 0.00 H new ATOM 501 N THR A 449 0.373 3.877 4.758 1.00 0.00 N ATOM 502 CA THR A 449 1.704 3.313 4.943 1.00 0.00 C ATOM 503 C THR A 449 1.678 1.793 4.832 1.00 0.00 C ATOM 504 O THR A 449 1.319 1.099 5.784 1.00 0.00 O ATOM 505 CB THR A 449 2.296 3.707 6.309 1.00 0.00 C ATOM 506 OG1 THR A 449 2.022 5.086 6.583 1.00 0.00 O ATOM 507 CG2 THR A 449 3.798 3.468 6.338 1.00 0.00 C ATOM 0 H THR A 449 -0.032 4.288 5.599 1.00 0.00 H new ATOM 0 HA THR A 449 2.333 3.721 4.152 1.00 0.00 H new ATOM 0 HB THR A 449 1.831 3.085 7.074 1.00 0.00 H new ATOM 0 HG1 THR A 449 2.400 5.328 7.454 1.00 0.00 H new ATOM 0 HG21 THR A 449 4.193 3.754 7.313 1.00 0.00 H new ATOM 0 HG22 THR A 449 4.002 2.412 6.159 1.00 0.00 H new ATOM 0 HG23 THR A 449 4.277 4.066 5.563 1.00 0.00 H new ATOM 515 N ILE A 450 2.060 1.283 3.667 1.00 0.00 N ATOM 516 CA ILE A 450 2.082 -0.156 3.434 1.00 0.00 C ATOM 517 C ILE A 450 3.503 -0.653 3.193 1.00 0.00 C ATOM 518 O ILE A 450 4.434 0.141 3.058 1.00 0.00 O ATOM 519 CB ILE A 450 1.203 -0.544 2.229 1.00 0.00 C ATOM 520 CG1 ILE A 450 1.815 -0.012 0.932 1.00 0.00 C ATOM 521 CG2 ILE A 450 -0.210 -0.013 2.412 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.472 -0.845 -0.284 1.00 0.00 C ATOM 0 H ILE A 450 2.359 1.844 2.869 1.00 0.00 H new ATOM 0 HA ILE A 450 1.683 -0.627 4.332 1.00 0.00 H new ATOM 0 HB ILE A 450 1.156 -1.631 2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.473 1.010 0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 450 2.899 0.028 1.041 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.819 -0.295 1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.643 -0.436 3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 450 -0.182 1.073 2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.939 -0.409 -1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.839 -1.862 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.390 -0.865 -0.418 1.00 0.00 H new ATOM 534 N MET A 451 3.662 -1.971 3.138 1.00 0.00 N ATOM 535 CA MET A 451 4.970 -2.574 2.910 1.00 0.00 C ATOM 536 C MET A 451 5.005 -3.307 1.573 1.00 0.00 C ATOM 537 O MET A 451 4.415 -4.375 1.407 1.00 0.00 O ATOM 538 CB MET A 451 5.315 -3.540 4.044 1.00 0.00 C ATOM 539 CG MET A 451 6.727 -4.096 3.961 1.00 0.00 C ATOM 540 SD MET A 451 7.986 -2.846 4.284 1.00 0.00 S ATOM 541 CE MET A 451 8.993 -2.991 2.810 1.00 0.00 C ATOM 0 H MET A 451 2.902 -2.642 3.248 1.00 0.00 H new ATOM 0 HA MET A 451 5.711 -1.775 2.886 1.00 0.00 H new ATOM 0 HB2 MET A 451 5.191 -3.027 4.998 1.00 0.00 H new ATOM 0 HB3 MET A 451 4.606 -4.368 4.033 1.00 0.00 H new ATOM 0 HG2 MET A 451 6.836 -4.909 4.678 1.00 0.00 H new ATOM 0 HG3 MET A 451 6.888 -4.521 2.970 1.00 0.00 H new ATOM 0 HE1 MET A 451 9.485 -2.039 2.611 1.00 0.00 H new ATOM 0 HE2 MET A 451 9.746 -3.765 2.959 1.00 0.00 H new ATOM 0 HE3 MET A 451 8.361 -3.257 1.963 1.00 0.00 H new ATOM 551 N PRO A 452 5.713 -2.723 0.595 1.00 0.00 N ATOM 552 CA PRO A 452 5.842 -3.305 -0.745 1.00 0.00 C ATOM 553 C PRO A 452 6.695 -4.569 -0.748 1.00 0.00 C ATOM 554 O PRO A 452 7.568 -4.744 0.102 1.00 0.00 O ATOM 555 CB PRO A 452 6.526 -2.196 -1.549 1.00 0.00 C ATOM 556 CG PRO A 452 7.269 -1.396 -0.535 1.00 0.00 C ATOM 557 CD PRO A 452 6.443 -1.451 0.721 1.00 0.00 C ATOM 0 HA PRO A 452 4.878 -3.612 -1.151 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.200 -2.609 -2.299 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.796 -1.584 -2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.264 -1.807 -0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.402 -0.367 -0.870 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.068 -1.433 1.614 1.00 0.00 H new ATOM 0 HD3 PRO A 452 5.762 -0.603 0.792 1.00 0.00 H new ATOM 565 N LYS A 453 6.437 -5.449 -1.711 1.00 0.00 N ATOM 566 CA LYS A 453 7.182 -6.697 -1.827 1.00 0.00 C ATOM 567 C LYS A 453 8.120 -6.661 -3.029 1.00 0.00 C ATOM 568 O LYS A 453 7.683 -6.783 -4.174 1.00 0.00 O ATOM 569 CB LYS A 453 6.218 -7.879 -1.953 1.00 0.00 C ATOM 570 CG LYS A 453 5.430 -8.160 -0.686 1.00 0.00 C ATOM 571 CD LYS A 453 4.945 -9.599 -0.638 1.00 0.00 C ATOM 572 CE LYS A 453 6.001 -10.524 -0.052 1.00 0.00 C ATOM 573 NZ LYS A 453 5.394 -11.725 0.587 1.00 0.00 N ATOM 0 H LYS A 453 5.717 -5.320 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 453 7.782 -6.819 -0.925 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.521 -7.683 -2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 453 6.783 -8.771 -2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 453 6.054 -7.956 0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.576 -7.485 -0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 453 4.036 -9.658 -0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 453 4.687 -9.931 -1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 453 6.686 -10.839 -0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 453 6.592 -9.980 0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 6.146 -12.330 0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 4.760 -11.426 1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 4.851 -12.258 -0.122 1.00 0.00 H new ATOM 587 N HIS A 454 9.411 -6.493 -2.761 1.00 0.00 N ATOM 588 CA HIS A 454 10.411 -6.443 -3.822 1.00 0.00 C ATOM 589 C HIS A 454 11.821 -6.442 -3.239 1.00 0.00 C ATOM 590 O HIS A 454 12.020 -6.110 -2.071 1.00 0.00 O ATOM 591 CB HIS A 454 10.205 -5.200 -4.688 1.00 0.00 C ATOM 592 CG HIS A 454 10.666 -5.373 -6.103 1.00 0.00 C ATOM 593 ND1 HIS A 454 11.995 -5.349 -6.470 1.00 0.00 N ATOM 594 CD2 HIS A 454 9.966 -5.575 -7.244 1.00 0.00 C ATOM 595 CE1 HIS A 454 12.092 -5.528 -7.775 1.00 0.00 C ATOM 596 NE2 HIS A 454 10.875 -5.668 -8.268 1.00 0.00 N ATOM 0 H HIS A 454 9.789 -6.389 -1.819 1.00 0.00 H new ATOM 0 HA HIS A 454 10.292 -7.332 -4.441 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.147 -4.939 -4.689 1.00 0.00 H new ATOM 0 HB3 HIS A 454 10.740 -4.362 -4.240 1.00 0.00 H new ATOM 0 HD2 HIS A 454 8.892 -5.649 -7.332 1.00 0.00 H new ATOM 0 HE1 HIS A 454 13.011 -5.555 -8.342 1.00 0.00 H new ATOM 0 HE2 HIS A 454 10.647 -5.821 -9.251 1.00 0.00 H new ATOM 604 N GLU A 455 12.796 -6.818 -4.061 1.00 0.00 N ATOM 605 CA GLU A 455 14.187 -6.862 -3.625 1.00 0.00 C ATOM 606 C GLU A 455 14.795 -5.463 -3.601 1.00 0.00 C ATOM 607 O GLU A 455 15.341 -5.029 -2.587 1.00 0.00 O ATOM 608 CB GLU A 455 15.005 -7.770 -4.546 1.00 0.00 C ATOM 609 CG GLU A 455 15.018 -9.226 -4.112 1.00 0.00 C ATOM 610 CD GLU A 455 15.673 -9.425 -2.759 1.00 0.00 C ATOM 611 OE1 GLU A 455 16.567 -8.625 -2.410 1.00 0.00 O ATOM 612 OE2 GLU A 455 15.292 -10.379 -2.049 1.00 0.00 O ATOM 0 H GLU A 455 12.649 -7.096 -5.031 1.00 0.00 H new ATOM 0 HA GLU A 455 14.211 -7.267 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 455 14.603 -7.705 -5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 455 16.030 -7.403 -4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 455 13.995 -9.599 -4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 455 15.547 -9.819 -4.858 1.00 0.00 H new ATOM 619 N ASP A 456 14.696 -4.763 -4.726 1.00 0.00 N ATOM 620 CA ASP A 456 15.235 -3.412 -4.835 1.00 0.00 C ATOM 621 C ASP A 456 14.899 -2.591 -3.594 1.00 0.00 C ATOM 622 O ASP A 456 15.780 -2.259 -2.799 1.00 0.00 O ATOM 623 CB ASP A 456 14.685 -2.720 -6.084 1.00 0.00 C ATOM 624 CG ASP A 456 15.638 -1.679 -6.636 1.00 0.00 C ATOM 625 OD1 ASP A 456 16.598 -2.066 -7.336 1.00 0.00 O ATOM 626 OD2 ASP A 456 15.426 -0.478 -6.368 1.00 0.00 O ATOM 0 H ASP A 456 14.248 -5.108 -5.575 1.00 0.00 H new ATOM 0 HA ASP A 456 16.319 -3.485 -4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 456 14.484 -3.468 -6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 456 13.733 -2.246 -5.844 1.00 0.00 H new ATOM 631 N LEU A 457 13.621 -2.265 -3.434 1.00 0.00 N ATOM 632 CA LEU A 457 13.169 -1.482 -2.290 1.00 0.00 C ATOM 633 C LEU A 457 13.979 -1.820 -1.043 1.00 0.00 C ATOM 634 O LEU A 457 14.449 -2.947 -0.882 1.00 0.00 O ATOM 635 CB LEU A 457 11.683 -1.733 -2.030 1.00 0.00 C ATOM 636 CG LEU A 457 11.338 -3.040 -1.315 1.00 0.00 C ATOM 637 CD1 LEU A 457 11.549 -2.900 0.185 1.00 0.00 C ATOM 638 CD2 LEU A 457 9.905 -3.452 -1.618 1.00 0.00 C ATOM 0 H LEU A 457 12.880 -2.531 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 457 13.318 -0.428 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 457 11.293 -0.905 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 457 11.159 -1.716 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 457 12.004 -3.820 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 457 11.298 -3.840 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 457 12.592 -2.653 0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 457 10.908 -2.107 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 457 9.677 -4.384 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 457 9.223 -2.673 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 457 9.787 -3.595 -2.692 1.00 0.00 H new ATOM 650 N LYS A 458 14.138 -0.839 -0.162 1.00 0.00 N ATOM 651 CA LYS A 458 14.888 -1.032 1.073 1.00 0.00 C ATOM 652 C LYS A 458 14.038 -0.675 2.288 1.00 0.00 C ATOM 653 O LYS A 458 14.357 -1.056 3.414 1.00 0.00 O ATOM 654 CB LYS A 458 16.160 -0.182 1.060 1.00 0.00 C ATOM 655 CG LYS A 458 15.893 1.313 1.015 1.00 0.00 C ATOM 656 CD LYS A 458 15.784 1.902 2.411 1.00 0.00 C ATOM 657 CE LYS A 458 16.014 3.405 2.401 1.00 0.00 C ATOM 658 NZ LYS A 458 14.798 4.150 1.975 1.00 0.00 N ATOM 0 H LYS A 458 13.757 0.100 -0.281 1.00 0.00 H new ATOM 0 HA LYS A 458 15.162 -2.085 1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 458 16.749 -0.411 1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 458 16.764 -0.461 0.197 1.00 0.00 H new ATOM 0 HG2 LYS A 458 16.696 1.811 0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 458 14.971 1.502 0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 458 14.798 1.686 2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 458 16.513 1.426 3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 458 16.311 3.733 3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 458 16.839 3.642 1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 15.062 5.119 1.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 14.363 3.669 1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 14.118 4.183 2.761 1.00 0.00 H new ATOM 672 N ASP A 459 12.955 0.057 2.052 1.00 0.00 N ATOM 673 CA ASP A 459 12.057 0.464 3.127 1.00 0.00 C ATOM 674 C ASP A 459 10.603 0.407 2.671 1.00 0.00 C ATOM 675 O ASP A 459 10.311 0.014 1.542 1.00 0.00 O ATOM 676 CB ASP A 459 12.401 1.877 3.601 1.00 0.00 C ATOM 677 CG ASP A 459 13.427 1.879 4.717 1.00 0.00 C ATOM 678 OD1 ASP A 459 14.183 0.891 4.830 1.00 0.00 O ATOM 679 OD2 ASP A 459 13.473 2.867 5.480 1.00 0.00 O ATOM 0 H ASP A 459 12.677 0.381 1.126 1.00 0.00 H new ATOM 0 HA ASP A 459 12.186 -0.230 3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 459 12.782 2.457 2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 459 11.493 2.373 3.945 1.00 0.00 H new ATOM 684 N MET A 460 9.694 0.802 3.557 1.00 0.00 N ATOM 685 CA MET A 460 8.270 0.796 3.244 1.00 0.00 C ATOM 686 C MET A 460 7.861 2.089 2.544 1.00 0.00 C ATOM 687 O MET A 460 8.684 2.982 2.340 1.00 0.00 O ATOM 688 CB MET A 460 7.447 0.612 4.521 1.00 0.00 C ATOM 689 CG MET A 460 7.387 1.858 5.390 1.00 0.00 C ATOM 690 SD MET A 460 6.898 1.497 7.088 1.00 0.00 S ATOM 691 CE MET A 460 6.653 3.152 7.728 1.00 0.00 C ATOM 0 H MET A 460 9.918 1.130 4.496 1.00 0.00 H new ATOM 0 HA MET A 460 8.075 -0.038 2.570 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.433 0.318 4.251 1.00 0.00 H new ATOM 0 HB3 MET A 460 7.872 -0.206 5.102 1.00 0.00 H new ATOM 0 HG2 MET A 460 8.364 2.342 5.392 1.00 0.00 H new ATOM 0 HG3 MET A 460 6.681 2.566 4.955 1.00 0.00 H new ATOM 0 HE1 MET A 460 5.828 3.148 8.440 1.00 0.00 H new ATOM 0 HE2 MET A 460 7.562 3.487 8.227 1.00 0.00 H new ATOM 0 HE3 MET A 460 6.420 3.829 6.906 1.00 0.00 H new ATOM 701 N LEU A 461 6.588 2.181 2.178 1.00 0.00 N ATOM 702 CA LEU A 461 6.070 3.364 1.500 1.00 0.00 C ATOM 703 C LEU A 461 4.602 3.591 1.844 1.00 0.00 C ATOM 704 O LEU A 461 3.912 2.676 2.293 1.00 0.00 O ATOM 705 CB LEU A 461 6.235 3.222 -0.014 1.00 0.00 C ATOM 706 CG LEU A 461 7.674 3.166 -0.530 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.282 1.797 -0.268 1.00 0.00 C ATOM 708 CD2 LEU A 461 7.721 3.497 -2.015 1.00 0.00 C ATOM 0 H LEU A 461 5.895 1.450 2.339 1.00 0.00 H new ATOM 0 HA LEU A 461 6.641 4.227 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.721 2.315 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 461 5.730 4.060 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 461 8.262 3.911 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.306 1.776 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.283 1.598 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.694 1.034 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 461 8.752 3.452 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 461 7.119 2.776 -2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 461 7.326 4.500 -2.177 1.00 0.00 H new ATOM 720 N GLU A 462 4.130 4.814 1.627 1.00 0.00 N ATOM 721 CA GLU A 462 2.742 5.159 1.913 1.00 0.00 C ATOM 722 C GLU A 462 2.049 5.703 0.667 1.00 0.00 C ATOM 723 O GLU A 462 2.418 6.756 0.147 1.00 0.00 O ATOM 724 CB GLU A 462 2.672 6.192 3.040 1.00 0.00 C ATOM 725 CG GLU A 462 3.819 7.188 3.025 1.00 0.00 C ATOM 726 CD GLU A 462 3.824 8.089 4.244 1.00 0.00 C ATOM 727 OE1 GLU A 462 4.406 7.689 5.275 1.00 0.00 O ATOM 728 OE2 GLU A 462 3.248 9.194 4.169 1.00 0.00 O ATOM 0 H GLU A 462 4.688 5.582 1.254 1.00 0.00 H new ATOM 0 HA GLU A 462 2.226 4.252 2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 462 1.730 6.735 2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 462 2.666 5.672 3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 462 4.764 6.647 2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 462 3.752 7.800 2.126 1.00 0.00 H new ATOM 735 N PHE A 463 1.042 4.976 0.193 1.00 0.00 N ATOM 736 CA PHE A 463 0.297 5.383 -0.993 1.00 0.00 C ATOM 737 C PHE A 463 -1.149 5.715 -0.639 1.00 0.00 C ATOM 738 O PHE A 463 -1.742 5.134 0.270 1.00 0.00 O ATOM 739 CB PHE A 463 0.335 4.278 -2.050 1.00 0.00 C ATOM 740 CG PHE A 463 1.691 3.653 -2.215 1.00 0.00 C ATOM 741 CD1 PHE A 463 2.807 4.440 -2.446 1.00 0.00 C ATOM 742 CD2 PHE A 463 1.848 2.278 -2.141 1.00 0.00 C ATOM 743 CE1 PHE A 463 4.057 3.868 -2.598 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.095 1.701 -2.292 1.00 0.00 C ATOM 745 CZ PHE A 463 4.200 2.497 -2.522 1.00 0.00 C ATOM 0 H PHE A 463 0.723 4.102 0.612 1.00 0.00 H new ATOM 0 HA PHE A 463 0.768 6.279 -1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -0.383 3.503 -1.780 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.015 4.690 -3.007 1.00 0.00 H new ATOM 0 HD1 PHE A 463 2.700 5.513 -2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 463 0.987 1.651 -1.963 1.00 0.00 H new ATOM 0 HE1 PHE A 463 4.920 4.493 -2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.205 0.628 -2.230 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.175 2.048 -2.642 1.00 0.00 H new ATOM 755 N PRO A 464 -1.733 6.673 -1.374 1.00 0.00 N ATOM 756 CA PRO A 464 -3.117 7.105 -1.157 1.00 0.00 C ATOM 757 C PRO A 464 -4.128 6.039 -1.566 1.00 0.00 C ATOM 758 O PRO A 464 -3.933 5.333 -2.555 1.00 0.00 O ATOM 759 CB PRO A 464 -3.249 8.339 -2.053 1.00 0.00 C ATOM 760 CG PRO A 464 -2.229 8.141 -3.122 1.00 0.00 C ATOM 761 CD PRO A 464 -1.087 7.409 -2.474 1.00 0.00 C ATOM 0 HA PRO A 464 -3.322 7.302 -0.105 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -4.252 8.418 -2.472 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -3.064 9.256 -1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.640 7.566 -3.952 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -1.899 9.097 -3.529 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.594 6.734 -3.174 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -0.327 8.097 -2.105 1.00 0.00 H new ATOM 769 N ALA A 465 -5.208 5.928 -0.800 1.00 0.00 N ATOM 770 CA ALA A 465 -6.250 4.950 -1.084 1.00 0.00 C ATOM 771 C ALA A 465 -6.552 4.889 -2.578 1.00 0.00 C ATOM 772 O ALA A 465 -7.040 3.877 -3.080 1.00 0.00 O ATOM 773 CB ALA A 465 -7.512 5.280 -0.301 1.00 0.00 C ATOM 0 H ALA A 465 -5.384 6.504 0.023 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.889 3.970 -0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -8.282 4.541 -0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -7.292 5.265 0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.868 6.271 -0.585 1.00 0.00 H new ATOM 779 N GLN A 466 -6.260 5.978 -3.281 1.00 0.00 N ATOM 780 CA GLN A 466 -6.502 6.048 -4.717 1.00 0.00 C ATOM 781 C GLN A 466 -5.474 5.223 -5.484 1.00 0.00 C ATOM 782 O GLN A 466 -5.819 4.488 -6.408 1.00 0.00 O ATOM 783 CB GLN A 466 -6.464 7.501 -5.192 1.00 0.00 C ATOM 784 CG GLN A 466 -6.638 7.655 -6.695 1.00 0.00 C ATOM 785 CD GLN A 466 -7.244 8.991 -7.079 1.00 0.00 C ATOM 786 OE1 GLN A 466 -8.375 9.302 -6.707 1.00 0.00 O ATOM 787 NE2 GLN A 466 -6.491 9.789 -7.826 1.00 0.00 N ATOM 0 H GLN A 466 -5.856 6.824 -2.880 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.491 5.635 -4.913 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -7.249 8.061 -4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -5.514 7.946 -4.897 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -5.669 7.547 -7.182 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -7.274 6.852 -7.067 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -5.559 9.490 -8.112 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -6.845 10.701 -8.114 1.00 0.00 H new ATOM 796 N GLU A 467 -4.210 5.350 -5.092 1.00 0.00 N ATOM 797 CA GLU A 467 -3.131 4.616 -5.744 1.00 0.00 C ATOM 798 C GLU A 467 -2.977 3.224 -5.139 1.00 0.00 C ATOM 799 O GLU A 467 -1.888 2.648 -5.149 1.00 0.00 O ATOM 800 CB GLU A 467 -1.814 5.386 -5.623 1.00 0.00 C ATOM 801 CG GLU A 467 -1.603 6.408 -6.727 1.00 0.00 C ATOM 802 CD GLU A 467 -2.773 7.363 -6.870 1.00 0.00 C ATOM 803 OE1 GLU A 467 -2.866 8.311 -6.062 1.00 0.00 O ATOM 804 OE2 GLU A 467 -3.594 7.162 -7.789 1.00 0.00 O ATOM 0 H GLU A 467 -3.908 5.953 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.385 4.509 -6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -1.787 5.894 -4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -0.986 4.677 -5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -0.697 6.978 -6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -1.445 5.889 -7.672 1.00 0.00 H new ATOM 811 N LEU A 468 -4.073 2.690 -4.613 1.00 0.00 N ATOM 812 CA LEU A 468 -4.061 1.365 -4.002 1.00 0.00 C ATOM 813 C LEU A 468 -5.410 0.674 -4.174 1.00 0.00 C ATOM 814 O LEU A 468 -6.459 1.269 -3.929 1.00 0.00 O ATOM 815 CB LEU A 468 -3.715 1.470 -2.516 1.00 0.00 C ATOM 816 CG LEU A 468 -2.229 1.607 -2.182 1.00 0.00 C ATOM 817 CD1 LEU A 468 -2.045 2.019 -0.729 1.00 0.00 C ATOM 818 CD2 LEU A 468 -1.496 0.305 -2.465 1.00 0.00 C ATOM 0 H LEU A 468 -4.981 3.154 -4.597 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.300 0.767 -4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -4.241 2.329 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -4.101 0.585 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.804 2.385 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.981 2.112 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -2.536 2.977 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -2.486 1.264 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -0.440 0.422 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.923 -0.492 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -1.599 0.051 -3.520 1.00 0.00 H new ATOM 830 N ARG A 469 -5.374 -0.586 -4.595 1.00 0.00 N ATOM 831 CA ARG A 469 -6.594 -1.359 -4.798 1.00 0.00 C ATOM 832 C ARG A 469 -6.333 -2.849 -4.600 1.00 0.00 C ATOM 833 O ARG A 469 -5.260 -3.353 -4.933 1.00 0.00 O ATOM 834 CB ARG A 469 -7.153 -1.110 -6.200 1.00 0.00 C ATOM 835 CG ARG A 469 -8.084 0.088 -6.281 1.00 0.00 C ATOM 836 CD ARG A 469 -9.051 -0.036 -7.448 1.00 0.00 C ATOM 837 NE ARG A 469 -8.358 -0.062 -8.733 1.00 0.00 N ATOM 838 CZ ARG A 469 -8.907 -0.515 -9.855 1.00 0.00 C ATOM 839 NH1 ARG A 469 -10.149 -0.977 -9.849 1.00 0.00 N ATOM 840 NH2 ARG A 469 -8.212 -0.506 -10.985 1.00 0.00 N ATOM 0 H ARG A 469 -4.514 -1.093 -4.802 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.327 -1.035 -4.059 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -6.324 -0.962 -6.892 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -7.689 -1.999 -6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -8.645 0.178 -5.351 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -7.497 1.000 -6.389 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -9.640 -0.946 -7.335 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -9.750 0.800 -7.430 1.00 0.00 H new ATOM 0 HE ARG A 469 -7.400 0.287 -8.771 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -10.686 -0.985 -8.982 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -10.568 -1.324 -10.712 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -7.256 -0.151 -10.993 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -8.634 -0.854 -11.846 1.00 0.00 H new ATOM 854 N LYS A 470 -7.321 -3.550 -4.054 1.00 0.00 N ATOM 855 CA LYS A 470 -7.200 -4.983 -3.811 1.00 0.00 C ATOM 856 C LYS A 470 -7.425 -5.773 -5.096 1.00 0.00 C ATOM 857 O LYS A 470 -8.189 -5.357 -5.967 1.00 0.00 O ATOM 858 CB LYS A 470 -8.204 -5.427 -2.745 1.00 0.00 C ATOM 859 CG LYS A 470 -9.637 -5.027 -3.054 1.00 0.00 C ATOM 860 CD LYS A 470 -10.608 -5.603 -2.038 1.00 0.00 C ATOM 861 CE LYS A 470 -11.866 -4.755 -1.926 1.00 0.00 C ATOM 862 NZ LYS A 470 -11.573 -3.396 -1.392 1.00 0.00 N ATOM 0 H LYS A 470 -8.215 -3.149 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 470 -6.189 -5.182 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 470 -8.153 -6.511 -2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 470 -7.915 -4.999 -1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 470 -9.719 -3.940 -3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 470 -9.905 -5.373 -4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 470 -10.877 -6.619 -2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 470 -10.122 -5.666 -1.064 1.00 0.00 H new ATOM 0 HE2 LYS A 470 -12.333 -4.667 -2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 470 -12.584 -5.254 -1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 -12.421 -3.017 -0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 -10.795 -3.453 -0.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 -11.299 -2.767 -2.174 1.00 0.00 H new ATOM 876 N TYR A 471 -6.755 -6.915 -5.207 1.00 0.00 N ATOM 877 CA TYR A 471 -6.881 -7.763 -6.387 1.00 0.00 C ATOM 878 C TYR A 471 -8.343 -7.913 -6.796 1.00 0.00 C ATOM 879 O TYR A 471 -9.234 -7.951 -5.950 1.00 0.00 O ATOM 880 CB TYR A 471 -6.271 -9.140 -6.118 1.00 0.00 C ATOM 881 CG TYR A 471 -4.936 -9.083 -5.410 1.00 0.00 C ATOM 882 CD1 TYR A 471 -4.096 -7.986 -5.556 1.00 0.00 C ATOM 883 CD2 TYR A 471 -4.515 -10.127 -4.595 1.00 0.00 C ATOM 884 CE1 TYR A 471 -2.876 -7.931 -4.912 1.00 0.00 C ATOM 885 CE2 TYR A 471 -3.297 -10.080 -3.946 1.00 0.00 C ATOM 886 CZ TYR A 471 -2.480 -8.980 -4.108 1.00 0.00 C ATOM 887 OH TYR A 471 -1.266 -8.928 -3.464 1.00 0.00 O ATOM 0 H TYR A 471 -6.120 -7.275 -4.495 1.00 0.00 H new ATOM 0 HA TYR A 471 -6.341 -7.287 -7.205 1.00 0.00 H new ATOM 0 HB2 TYR A 471 -6.967 -9.725 -5.517 1.00 0.00 H new ATOM 0 HB3 TYR A 471 -6.148 -9.665 -7.065 1.00 0.00 H new ATOM 0 HD1 TYR A 471 -4.403 -7.162 -6.184 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -5.151 -10.990 -4.467 1.00 0.00 H new ATOM 0 HE1 TYR A 471 -2.235 -7.071 -5.037 1.00 0.00 H new ATOM 0 HE2 TYR A 471 -2.986 -10.900 -3.315 1.00 0.00 H new ATOM 0 HH TYR A 471 -1.140 -9.745 -2.937 1.00 0.00 H new TER 897 TYR A 471