USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 553 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 NoAdj-H: A 463 HIS HD1 : A 463 HIS ND1 : A 470 ZNZN :(H bumps) USER MOD NoAdj-H: A 465 HIS HE2 : A 465 HIS NE2 : A 470 ZNZN :(H bumps) USER MOD Set 1.1: A 416 LYS NZ :NH3+ -174:sc= 0.687 (180deg=0) USER MOD Set 1.2: A 430 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 432 TYR OH : rot 165:sc= 0.564 USER MOD Single : A 400 GLN : amide:sc=-0.00524 K(o=-0.0052,f=-0.85) USER MOD Single : A 401 THR OG1 : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot 180:sc= 0 USER MOD Single : A 403 SER OG : rot 22:sc= 0.502 USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 417 TYR OH : rot 165:sc= -0.0439 USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ 173:sc= -0.0918 (180deg=-0.156) USER MOD Single : A 425 ASN : amide:sc= -0.674 K(o=-0.67,f=-2.2!) USER MOD Single : A 427 TYR OH : rot 180:sc= 0 USER MOD Single : A 431 TYR OH : rot 30:sc= 0 USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 435 THR OG1 : rot -64:sc= 0.645 USER MOD Single : A 436 THR OG1 : rot -108:sc= -1.06 USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 457 THR OG1 : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 ASN : amide:sc= -0.0356 K(o=-0.036,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 399 -25.556 -7.376 23.378 1.00 0.00 N ATOM 2 CA VAL A 399 -25.573 -6.464 22.203 1.00 0.00 C ATOM 3 C VAL A 399 -24.387 -5.503 22.231 1.00 0.00 C ATOM 4 O VAL A 399 -24.248 -4.698 23.151 1.00 0.00 O ATOM 5 CB VAL A 399 -26.879 -5.646 22.142 1.00 0.00 C ATOM 6 CG1 VAL A 399 -28.081 -6.571 22.011 1.00 0.00 C ATOM 7 CG2 VAL A 399 -27.017 -4.750 23.367 1.00 0.00 C ATOM 0 HA VAL A 399 -25.505 -7.095 21.316 1.00 0.00 H new ATOM 0 HB VAL A 399 -26.840 -5.006 21.261 1.00 0.00 H new ATOM 0 HG11 VAL A 399 -28.994 -5.977 21.969 1.00 0.00 H new ATOM 0 HG12 VAL A 399 -27.989 -7.160 21.098 1.00 0.00 H new ATOM 0 HG13 VAL A 399 -28.122 -7.239 22.871 1.00 0.00 H new ATOM 0 HG21 VAL A 399 -27.946 -4.183 23.301 1.00 0.00 H new ATOM 0 HG22 VAL A 399 -27.030 -5.364 24.267 1.00 0.00 H new ATOM 0 HG23 VAL A 399 -26.174 -4.061 23.410 1.00 0.00 H new ATOM 17 N GLN A 400 -23.535 -5.593 21.215 1.00 0.00 N ATOM 18 CA GLN A 400 -22.362 -4.733 21.125 1.00 0.00 C ATOM 19 C GLN A 400 -22.016 -4.434 19.669 1.00 0.00 C ATOM 20 O GLN A 400 -21.096 -5.027 19.104 1.00 0.00 O ATOM 21 CB GLN A 400 -21.168 -5.386 21.822 1.00 0.00 C ATOM 22 CG GLN A 400 -21.096 -5.091 23.310 1.00 0.00 C ATOM 23 CD GLN A 400 -20.366 -6.170 24.085 1.00 0.00 C ATOM 24 OE1 GLN A 400 -19.655 -6.994 23.507 1.00 0.00 O ATOM 25 NE2 GLN A 400 -20.540 -6.174 25.402 1.00 0.00 N ATOM 0 H GLN A 400 -23.635 -6.252 20.443 1.00 0.00 H new ATOM 0 HA GLN A 400 -22.594 -3.793 21.625 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -21.219 -6.465 21.676 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -20.249 -5.043 21.347 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -20.593 -4.136 23.463 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -22.107 -4.986 23.705 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -21.138 -5.473 25.840 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -20.076 -6.878 25.976 1.00 0.00 H new ATOM 34 N THR A 401 -22.756 -3.508 19.068 1.00 0.00 N ATOM 35 CA THR A 401 -22.526 -3.129 17.680 1.00 0.00 C ATOM 36 C THR A 401 -22.545 -1.612 17.514 1.00 0.00 C ATOM 37 O THR A 401 -22.896 -1.099 16.452 1.00 0.00 O ATOM 38 CB THR A 401 -23.581 -3.751 16.745 1.00 0.00 C ATOM 39 OG1 THR A 401 -24.826 -3.901 17.440 1.00 0.00 O ATOM 40 CG2 THR A 401 -23.116 -5.105 16.230 1.00 0.00 C ATOM 0 H THR A 401 -23.520 -3.007 19.521 1.00 0.00 H new ATOM 0 HA THR A 401 -21.542 -3.509 17.407 1.00 0.00 H new ATOM 0 HB THR A 401 -23.719 -3.084 15.894 1.00 0.00 H new ATOM 0 HG1 THR A 401 -25.491 -4.295 16.838 1.00 0.00 H new ATOM 0 HG21 THR A 401 -23.877 -5.525 15.572 1.00 0.00 H new ATOM 0 HG22 THR A 401 -22.185 -4.984 15.677 1.00 0.00 H new ATOM 0 HG23 THR A 401 -22.953 -5.778 17.072 1.00 0.00 H new ATOM 48 N THR A 402 -22.165 -0.902 18.571 1.00 0.00 N ATOM 49 CA THR A 402 -22.139 0.556 18.542 1.00 0.00 C ATOM 50 C THR A 402 -20.914 1.098 19.274 1.00 0.00 C ATOM 51 O THR A 402 -20.996 2.104 19.979 1.00 0.00 O ATOM 52 CB THR A 402 -23.410 1.153 19.174 1.00 0.00 C ATOM 53 OG1 THR A 402 -23.621 0.592 20.475 1.00 0.00 O ATOM 54 CG2 THR A 402 -24.626 0.889 18.299 1.00 0.00 C ATOM 0 H THR A 402 -21.871 -1.312 19.458 1.00 0.00 H new ATOM 0 HA THR A 402 -22.092 0.852 17.494 1.00 0.00 H new ATOM 0 HB THR A 402 -23.273 2.231 19.262 1.00 0.00 H new ATOM 0 HG1 THR A 402 -24.430 0.978 20.870 1.00 0.00 H new ATOM 0 HG21 THR A 402 -25.511 1.320 18.767 1.00 0.00 H new ATOM 0 HG22 THR A 402 -24.475 1.343 17.320 1.00 0.00 H new ATOM 0 HG23 THR A 402 -24.764 -0.186 18.183 1.00 0.00 H new ATOM 62 N SER A 403 -19.781 0.426 19.100 1.00 0.00 N ATOM 63 CA SER A 403 -18.540 0.840 19.743 1.00 0.00 C ATOM 64 C SER A 403 -17.521 1.304 18.708 1.00 0.00 C ATOM 65 O SER A 403 -17.143 0.548 17.812 1.00 0.00 O ATOM 66 CB SER A 403 -17.959 -0.308 20.569 1.00 0.00 C ATOM 67 OG SER A 403 -17.501 -1.357 19.733 1.00 0.00 O ATOM 0 H SER A 403 -19.697 -0.408 18.519 1.00 0.00 H new ATOM 0 HA SER A 403 -18.765 1.675 20.406 1.00 0.00 H new ATOM 0 HB2 SER A 403 -17.135 0.060 21.180 1.00 0.00 H new ATOM 0 HB3 SER A 403 -18.718 -0.689 21.253 1.00 0.00 H new ATOM 0 HG SER A 403 -17.334 -1.008 18.833 1.00 0.00 H new ATOM 73 N GLU A 404 -17.080 2.551 18.836 1.00 0.00 N ATOM 74 CA GLU A 404 -16.104 3.115 17.911 1.00 0.00 C ATOM 75 C GLU A 404 -14.681 2.818 18.373 1.00 0.00 C ATOM 76 O GLU A 404 -14.309 3.122 19.506 1.00 0.00 O ATOM 77 CB GLU A 404 -16.306 4.627 17.783 1.00 0.00 C ATOM 78 CG GLU A 404 -15.432 5.268 16.718 1.00 0.00 C ATOM 79 CD GLU A 404 -16.139 6.391 15.983 1.00 0.00 C ATOM 80 OE1 GLU A 404 -17.362 6.275 15.757 1.00 0.00 O ATOM 81 OE2 GLU A 404 -15.471 7.387 15.635 1.00 0.00 O ATOM 0 H GLU A 404 -17.383 3.190 19.571 1.00 0.00 H new ATOM 0 HA GLU A 404 -16.254 2.651 16.936 1.00 0.00 H new ATOM 0 HB2 GLU A 404 -17.352 4.827 17.552 1.00 0.00 H new ATOM 0 HB3 GLU A 404 -16.096 5.096 18.744 1.00 0.00 H new ATOM 0 HG2 GLU A 404 -14.526 5.656 17.182 1.00 0.00 H new ATOM 0 HG3 GLU A 404 -15.122 4.508 16.001 1.00 0.00 H new ATOM 88 N VAL A 405 -13.889 2.223 17.487 1.00 0.00 N ATOM 89 CA VAL A 405 -12.507 1.885 17.802 1.00 0.00 C ATOM 90 C VAL A 405 -11.565 3.027 17.435 1.00 0.00 C ATOM 91 O VAL A 405 -11.997 4.065 16.937 1.00 0.00 O ATOM 92 CB VAL A 405 -12.058 0.609 17.064 1.00 0.00 C ATOM 93 CG1 VAL A 405 -12.783 -0.610 17.617 1.00 0.00 C ATOM 94 CG2 VAL A 405 -12.295 0.746 15.568 1.00 0.00 C ATOM 0 H VAL A 405 -14.182 1.965 16.545 1.00 0.00 H new ATOM 0 HA VAL A 405 -12.462 1.710 18.877 1.00 0.00 H new ATOM 0 HB VAL A 405 -10.989 0.473 17.228 1.00 0.00 H new ATOM 0 HG11 VAL A 405 -12.454 -1.502 17.084 1.00 0.00 H new ATOM 0 HG12 VAL A 405 -12.558 -0.717 18.678 1.00 0.00 H new ATOM 0 HG13 VAL A 405 -13.858 -0.485 17.485 1.00 0.00 H new ATOM 0 HG21 VAL A 405 -11.972 -0.165 15.064 1.00 0.00 H new ATOM 0 HG22 VAL A 405 -13.357 0.907 15.381 1.00 0.00 H new ATOM 0 HG23 VAL A 405 -11.726 1.594 15.186 1.00 0.00 H new ATOM 104 N ASP A 406 -10.276 2.826 17.687 1.00 0.00 N ATOM 105 CA ASP A 406 -9.270 3.838 17.385 1.00 0.00 C ATOM 106 C ASP A 406 -8.223 3.293 16.419 1.00 0.00 C ATOM 107 O ASP A 406 -7.607 2.258 16.677 1.00 0.00 O ATOM 108 CB ASP A 406 -8.595 4.317 18.672 1.00 0.00 C ATOM 109 CG ASP A 406 -9.322 5.489 19.304 1.00 0.00 C ATOM 110 OD1 ASP A 406 -10.325 5.255 20.009 1.00 0.00 O ATOM 111 OD2 ASP A 406 -8.887 6.641 19.094 1.00 0.00 O ATOM 0 H ASP A 406 -9.903 1.971 18.100 1.00 0.00 H new ATOM 0 HA ASP A 406 -9.771 4.682 16.911 1.00 0.00 H new ATOM 0 HB2 ASP A 406 -8.551 3.493 19.384 1.00 0.00 H new ATOM 0 HB3 ASP A 406 -7.567 4.605 18.454 1.00 0.00 H new ATOM 116 N LEU A 407 -8.028 3.994 15.308 1.00 0.00 N ATOM 117 CA LEU A 407 -7.055 3.579 14.303 1.00 0.00 C ATOM 118 C LEU A 407 -5.633 3.900 14.754 1.00 0.00 C ATOM 119 O LEU A 407 -5.311 5.051 15.048 1.00 0.00 O ATOM 120 CB LEU A 407 -7.348 4.263 12.966 1.00 0.00 C ATOM 121 CG LEU A 407 -7.161 3.381 11.731 1.00 0.00 C ATOM 122 CD1 LEU A 407 -5.692 3.044 11.532 1.00 0.00 C ATOM 123 CD2 LEU A 407 -7.990 2.110 11.854 1.00 0.00 C ATOM 0 H LEU A 407 -8.530 4.852 15.080 1.00 0.00 H new ATOM 0 HA LEU A 407 -7.139 2.500 14.176 1.00 0.00 H new ATOM 0 HB2 LEU A 407 -8.375 4.629 12.980 1.00 0.00 H new ATOM 0 HB3 LEU A 407 -6.700 5.135 12.872 1.00 0.00 H new ATOM 0 HG LEU A 407 -7.506 3.934 10.858 1.00 0.00 H new ATOM 0 HD11 LEU A 407 -5.579 2.416 10.648 1.00 0.00 H new ATOM 0 HD12 LEU A 407 -5.123 3.964 11.398 1.00 0.00 H new ATOM 0 HD13 LEU A 407 -5.319 2.510 12.406 1.00 0.00 H new ATOM 0 HD21 LEU A 407 -7.845 1.494 10.967 1.00 0.00 H new ATOM 0 HD22 LEU A 407 -7.675 1.554 12.737 1.00 0.00 H new ATOM 0 HD23 LEU A 407 -9.044 2.371 11.946 1.00 0.00 H new ATOM 135 N LEU A 408 -4.789 2.875 14.804 1.00 0.00 N ATOM 136 CA LEU A 408 -3.401 3.049 15.219 1.00 0.00 C ATOM 137 C LEU A 408 -2.654 3.961 14.251 1.00 0.00 C ATOM 138 O LEU A 408 -2.099 3.501 13.253 1.00 0.00 O ATOM 139 CB LEU A 408 -2.700 1.693 15.304 1.00 0.00 C ATOM 140 CG LEU A 408 -3.310 0.707 16.303 1.00 0.00 C ATOM 141 CD1 LEU A 408 -4.369 -0.152 15.626 1.00 0.00 C ATOM 142 CD2 LEU A 408 -2.229 -0.165 16.921 1.00 0.00 C ATOM 0 H LEU A 408 -5.041 1.916 14.563 1.00 0.00 H new ATOM 0 HA LEU A 408 -3.398 3.515 16.204 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -2.708 1.235 14.315 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.656 1.857 15.571 1.00 0.00 H new ATOM 0 HG LEU A 408 -3.788 1.277 17.100 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -4.792 -0.847 16.351 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -5.159 0.487 15.233 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -3.915 -0.712 14.809 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -2.682 -0.859 17.629 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.721 -0.726 16.136 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -1.507 0.464 17.442 1.00 0.00 H new ATOM 154 N ASP A 409 -2.644 5.255 14.553 1.00 0.00 N ATOM 155 CA ASP A 409 -1.964 6.231 13.710 1.00 0.00 C ATOM 156 C ASP A 409 -0.472 5.925 13.617 1.00 0.00 C ATOM 157 O ASP A 409 0.132 5.437 14.572 1.00 0.00 O ATOM 158 CB ASP A 409 -2.173 7.644 14.258 1.00 0.00 C ATOM 159 CG ASP A 409 -2.144 8.698 13.170 1.00 0.00 C ATOM 160 OD1 ASP A 409 -1.056 8.939 12.605 1.00 0.00 O ATOM 161 OD2 ASP A 409 -3.209 9.283 12.882 1.00 0.00 O ATOM 0 H ASP A 409 -3.099 5.652 15.375 1.00 0.00 H new ATOM 0 HA ASP A 409 -2.392 6.170 12.710 1.00 0.00 H new ATOM 0 HB2 ASP A 409 -3.129 7.690 14.779 1.00 0.00 H new ATOM 0 HB3 ASP A 409 -1.399 7.864 14.993 1.00 0.00 H new ATOM 166 N ASP A 410 0.116 6.216 12.461 1.00 0.00 N ATOM 167 CA ASP A 410 1.537 5.972 12.242 1.00 0.00 C ATOM 168 C ASP A 410 2.146 7.055 11.359 1.00 0.00 C ATOM 169 O ASP A 410 3.084 6.801 10.605 1.00 0.00 O ATOM 170 CB ASP A 410 1.748 4.599 11.605 1.00 0.00 C ATOM 171 CG ASP A 410 1.023 4.458 10.280 1.00 0.00 C ATOM 172 OD1 ASP A 410 -0.214 4.288 10.297 1.00 0.00 O ATOM 173 OD2 ASP A 410 1.692 4.518 9.228 1.00 0.00 O ATOM 0 H ASP A 410 -0.370 6.621 11.661 1.00 0.00 H new ATOM 0 HA ASP A 410 2.037 5.996 13.210 1.00 0.00 H new ATOM 0 HB2 ASP A 410 2.814 4.433 11.452 1.00 0.00 H new ATOM 0 HB3 ASP A 410 1.400 3.826 12.290 1.00 0.00 H new ATOM 178 N GLY A 411 1.605 8.267 11.458 1.00 0.00 N ATOM 179 CA GLY A 411 2.109 9.371 10.662 1.00 0.00 C ATOM 180 C GLY A 411 1.011 10.080 9.893 1.00 0.00 C ATOM 181 O GLY A 411 0.678 11.227 10.191 1.00 0.00 O ATOM 0 H GLY A 411 0.828 8.503 12.075 1.00 0.00 H new ATOM 0 HA2 GLY A 411 2.611 10.086 11.314 1.00 0.00 H new ATOM 0 HA3 GLY A 411 2.857 8.998 9.962 1.00 0.00 H new ATOM 185 N TYR A 412 0.451 9.396 8.901 1.00 0.00 N ATOM 186 CA TYR A 412 -0.615 9.970 8.087 1.00 0.00 C ATOM 187 C TYR A 412 -1.978 9.447 8.529 1.00 0.00 C ATOM 188 O TYR A 412 -2.102 8.307 8.975 1.00 0.00 O ATOM 189 CB TYR A 412 -0.388 9.645 6.610 1.00 0.00 C ATOM 190 CG TYR A 412 0.800 10.362 6.008 1.00 0.00 C ATOM 191 CD1 TYR A 412 0.909 11.746 6.078 1.00 0.00 C ATOM 192 CD2 TYR A 412 1.811 9.654 5.372 1.00 0.00 C ATOM 193 CE1 TYR A 412 1.993 12.403 5.528 1.00 0.00 C ATOM 194 CE2 TYR A 412 2.899 10.305 4.821 1.00 0.00 C ATOM 195 CZ TYR A 412 2.986 11.679 4.902 1.00 0.00 C ATOM 196 OH TYR A 412 4.067 12.330 4.356 1.00 0.00 O ATOM 0 H TYR A 412 0.716 8.446 8.641 1.00 0.00 H new ATOM 0 HA TYR A 412 -0.599 11.052 8.222 1.00 0.00 H new ATOM 0 HB2 TYR A 412 -0.246 8.570 6.501 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -1.284 9.907 6.047 1.00 0.00 H new ATOM 0 HD1 TYR A 412 0.135 12.316 6.570 1.00 0.00 H new ATOM 0 HD2 TYR A 412 1.746 8.578 5.307 1.00 0.00 H new ATOM 0 HE1 TYR A 412 2.062 13.479 5.588 1.00 0.00 H new ATOM 0 HE2 TYR A 412 3.677 9.740 4.329 1.00 0.00 H new ATOM 0 HH TYR A 412 4.675 11.675 3.954 1.00 0.00 H new ATOM 206 N ARG A 413 -2.999 10.290 8.403 1.00 0.00 N ATOM 207 CA ARG A 413 -4.353 9.913 8.789 1.00 0.00 C ATOM 208 C ARG A 413 -5.010 9.065 7.705 1.00 0.00 C ATOM 209 O ARG A 413 -5.520 9.590 6.715 1.00 0.00 O ATOM 210 CB ARG A 413 -5.195 11.161 9.056 1.00 0.00 C ATOM 211 CG ARG A 413 -6.365 10.915 9.996 1.00 0.00 C ATOM 212 CD ARG A 413 -7.528 11.846 9.694 1.00 0.00 C ATOM 213 NE ARG A 413 -8.357 12.086 10.872 1.00 0.00 N ATOM 214 CZ ARG A 413 -9.571 12.632 10.826 1.00 0.00 C ATOM 215 NH1 ARG A 413 -10.100 12.994 9.663 1.00 0.00 N ATOM 216 NH2 ARG A 413 -10.257 12.815 11.945 1.00 0.00 N ATOM 0 H ARG A 413 -2.913 11.238 8.037 1.00 0.00 H new ATOM 0 HA ARG A 413 -4.293 9.321 9.702 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -4.556 11.937 9.479 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -5.575 11.543 8.108 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -6.694 9.880 9.906 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -6.041 11.058 11.027 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -7.145 12.796 9.321 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -8.140 11.416 8.901 1.00 0.00 H new ATOM 0 HE ARG A 413 -7.984 11.820 11.783 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -9.576 12.854 8.799 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -11.030 13.412 9.634 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -9.855 12.538 12.841 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -11.187 13.233 11.911 1.00 0.00 H new ATOM 230 N TRP A 414 -4.994 7.750 7.900 1.00 0.00 N ATOM 231 CA TRP A 414 -5.590 6.828 6.938 1.00 0.00 C ATOM 232 C TRP A 414 -6.983 6.402 7.386 1.00 0.00 C ATOM 233 O TRP A 414 -7.256 6.291 8.582 1.00 0.00 O ATOM 234 CB TRP A 414 -4.698 5.597 6.763 1.00 0.00 C ATOM 235 CG TRP A 414 -3.280 5.935 6.417 1.00 0.00 C ATOM 236 CD1 TRP A 414 -2.238 6.082 7.286 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.749 6.168 5.108 1.00 0.00 C ATOM 238 NE1 TRP A 414 -1.092 6.393 6.597 1.00 0.00 N ATOM 239 CE2 TRP A 414 -1.379 6.450 5.259 1.00 0.00 C ATOM 240 CE3 TRP A 414 -3.299 6.164 3.823 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.552 6.727 4.173 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.477 6.439 2.746 1.00 0.00 C ATOM 243 CH2 TRP A 414 -1.116 6.717 2.926 1.00 0.00 C ATOM 0 H TRP A 414 -4.576 7.299 8.714 1.00 0.00 H new ATOM 0 HA TRP A 414 -5.678 7.344 5.982 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -4.711 5.014 7.684 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -5.115 4.964 5.980 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -2.305 5.970 8.358 1.00 0.00 H new ATOM 0 HE1 TRP A 414 -0.175 6.555 7.014 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -4.347 5.950 3.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.497 6.942 4.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -2.891 6.439 1.749 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.500 6.927 2.064 1.00 0.00 H new ATOM 254 N ARG A 415 -7.861 6.162 6.418 1.00 0.00 N ATOM 255 CA ARG A 415 -9.228 5.746 6.711 1.00 0.00 C ATOM 256 C ARG A 415 -9.580 4.467 5.959 1.00 0.00 C ATOM 257 O ARG A 415 -9.208 4.295 4.798 1.00 0.00 O ATOM 258 CB ARG A 415 -10.212 6.857 6.339 1.00 0.00 C ATOM 259 CG ARG A 415 -11.663 6.509 6.630 1.00 0.00 C ATOM 260 CD ARG A 415 -12.105 7.044 7.983 1.00 0.00 C ATOM 261 NE ARG A 415 -13.559 7.035 8.127 1.00 0.00 N ATOM 262 CZ ARG A 415 -14.188 7.101 9.298 1.00 0.00 C ATOM 263 NH1 ARG A 415 -13.497 7.185 10.428 1.00 0.00 N ATOM 264 NH2 ARG A 415 -15.513 7.087 9.340 1.00 0.00 N ATOM 0 H ARG A 415 -7.651 6.248 5.424 1.00 0.00 H new ATOM 0 HA ARG A 415 -9.300 5.549 7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -9.948 7.762 6.885 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -10.107 7.083 5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -12.301 6.922 5.849 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -11.790 5.427 6.607 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -11.659 6.442 8.774 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -11.735 8.061 8.109 1.00 0.00 H new ATOM 0 HE ARG A 415 -14.125 6.975 7.281 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -12.477 7.199 10.402 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -13.986 7.235 11.322 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -16.050 7.026 8.475 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -15.995 7.138 10.237 1.00 0.00 H new ATOM 278 N LYS A 416 -10.298 3.572 6.629 1.00 0.00 N ATOM 279 CA LYS A 416 -10.700 2.308 6.024 1.00 0.00 C ATOM 280 C LYS A 416 -12.023 2.456 5.283 1.00 0.00 C ATOM 281 O LYS A 416 -13.016 2.913 5.848 1.00 0.00 O ATOM 282 CB LYS A 416 -10.823 1.221 7.096 1.00 0.00 C ATOM 283 CG LYS A 416 -10.944 -0.184 6.525 1.00 0.00 C ATOM 284 CD LYS A 416 -9.756 -1.050 6.911 1.00 0.00 C ATOM 285 CE LYS A 416 -9.772 -1.387 8.392 1.00 0.00 C ATOM 286 NZ LYS A 416 -8.954 -2.595 8.696 1.00 0.00 N ATOM 0 H LYS A 416 -10.613 3.699 7.591 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.932 2.018 5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -9.951 1.265 7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -11.696 1.429 7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -11.863 -0.646 6.885 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -11.018 -0.131 5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -9.770 -1.970 6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -8.830 -0.530 6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -9.392 -0.539 8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -10.800 -1.554 8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -9.072 -2.851 9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -9.267 -3.386 8.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -7.952 -2.392 8.506 1.00 0.00 H new ATOM 300 N TYR A 417 -12.028 2.067 4.011 1.00 0.00 N ATOM 301 CA TYR A 417 -13.230 2.156 3.189 1.00 0.00 C ATOM 302 C TYR A 417 -13.754 0.767 2.839 1.00 0.00 C ATOM 303 O TYR A 417 -14.962 0.557 2.741 1.00 0.00 O ATOM 304 CB TYR A 417 -12.939 2.945 1.910 1.00 0.00 C ATOM 305 CG TYR A 417 -11.938 2.271 0.998 1.00 0.00 C ATOM 306 CD1 TYR A 417 -12.337 1.282 0.109 1.00 0.00 C ATOM 307 CD2 TYR A 417 -10.595 2.628 1.025 1.00 0.00 C ATOM 308 CE1 TYR A 417 -11.425 0.665 -0.727 1.00 0.00 C ATOM 309 CE2 TYR A 417 -9.679 2.016 0.191 1.00 0.00 C ATOM 310 CZ TYR A 417 -10.098 1.035 -0.682 1.00 0.00 C ATOM 311 OH TYR A 417 -9.187 0.423 -1.512 1.00 0.00 O ATOM 0 H TYR A 417 -11.214 1.688 3.528 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.996 2.678 3.762 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -13.871 3.095 1.365 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.565 3.933 2.179 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -13.376 0.990 0.070 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -10.262 3.395 1.708 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -11.751 -0.103 -1.412 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -8.639 2.305 0.223 1.00 0.00 H new ATOM 0 HH TYR A 417 -8.360 0.948 -1.534 1.00 0.00 H new ATOM 321 N GLY A 418 -12.837 -0.175 2.651 1.00 0.00 N ATOM 322 CA GLY A 418 -13.226 -1.531 2.314 1.00 0.00 C ATOM 323 C GLY A 418 -12.062 -2.501 2.367 1.00 0.00 C ATOM 324 O GLY A 418 -10.921 -2.128 2.093 1.00 0.00 O ATOM 0 H GLY A 418 -11.831 -0.024 2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -14.003 -1.864 3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -13.659 -1.543 1.314 1.00 0.00 H new ATOM 328 N GLN A 419 -12.351 -3.750 2.719 1.00 0.00 N ATOM 329 CA GLN A 419 -11.320 -4.778 2.806 1.00 0.00 C ATOM 330 C GLN A 419 -11.674 -5.977 1.933 1.00 0.00 C ATOM 331 O GLN A 419 -12.821 -6.133 1.513 1.00 0.00 O ATOM 332 CB GLN A 419 -11.138 -5.225 4.258 1.00 0.00 C ATOM 333 CG GLN A 419 -12.405 -5.776 4.889 1.00 0.00 C ATOM 334 CD GLN A 419 -12.522 -5.432 6.361 1.00 0.00 C ATOM 335 OE1 GLN A 419 -13.401 -4.671 6.765 1.00 0.00 O ATOM 336 NE2 GLN A 419 -11.632 -5.991 7.172 1.00 0.00 N ATOM 0 H GLN A 419 -13.290 -4.074 2.949 1.00 0.00 H new ATOM 0 HA GLN A 419 -10.384 -4.352 2.445 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -10.360 -5.988 4.300 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -10.787 -4.379 4.848 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -13.272 -5.382 4.358 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -12.424 -6.859 4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -10.920 -6.616 6.794 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -11.660 -5.795 8.173 1.00 0.00 H new ATOM 345 N LYS A 420 -10.685 -6.822 1.665 1.00 0.00 N ATOM 346 CA LYS A 420 -10.894 -8.007 0.841 1.00 0.00 C ATOM 347 C LYS A 420 -10.333 -9.251 1.524 1.00 0.00 C ATOM 348 O LYS A 420 -9.308 -9.189 2.203 1.00 0.00 O ATOM 349 CB LYS A 420 -10.238 -7.823 -0.529 1.00 0.00 C ATOM 350 CG LYS A 420 -11.048 -6.953 -1.478 1.00 0.00 C ATOM 351 CD LYS A 420 -12.165 -7.741 -2.141 1.00 0.00 C ATOM 352 CE LYS A 420 -11.617 -8.809 -3.074 1.00 0.00 C ATOM 353 NZ LYS A 420 -12.446 -8.953 -4.303 1.00 0.00 N ATOM 0 H LYS A 420 -9.730 -6.709 2.006 1.00 0.00 H new ATOM 0 HA LYS A 420 -11.967 -8.141 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -9.252 -7.379 -0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -10.087 -8.801 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -11.471 -6.111 -0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -10.391 -6.538 -2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -12.785 -8.208 -1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -12.807 -7.062 -2.701 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -10.594 -8.556 -3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -11.577 -9.764 -2.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -12.038 -9.691 -4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -13.416 -9.219 -4.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -12.463 -8.050 -4.818 1.00 0.00 H new ATOM 367 N VAL A 421 -11.011 -10.378 1.337 1.00 0.00 N ATOM 368 CA VAL A 421 -10.582 -11.637 1.933 1.00 0.00 C ATOM 369 C VAL A 421 -10.183 -12.644 0.858 1.00 0.00 C ATOM 370 O VAL A 421 -10.696 -12.609 -0.260 1.00 0.00 O ATOM 371 CB VAL A 421 -11.689 -12.248 2.817 1.00 0.00 C ATOM 372 CG1 VAL A 421 -12.934 -12.542 1.993 1.00 0.00 C ATOM 373 CG2 VAL A 421 -11.187 -13.506 3.510 1.00 0.00 C ATOM 0 H VAL A 421 -11.861 -10.445 0.777 1.00 0.00 H new ATOM 0 HA VAL A 421 -9.716 -11.415 2.557 1.00 0.00 H new ATOM 0 HB VAL A 421 -11.956 -11.521 3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -13.702 -12.972 2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.306 -11.617 1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -12.687 -13.248 1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -11.982 -13.922 4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -10.888 -14.239 2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -10.331 -13.259 4.137 1.00 0.00 H new ATOM 383 N VAL A 422 -9.265 -13.540 1.205 1.00 0.00 N ATOM 384 CA VAL A 422 -8.798 -14.557 0.270 1.00 0.00 C ATOM 385 C VAL A 422 -8.653 -15.910 0.959 1.00 0.00 C ATOM 386 O VAL A 422 -8.043 -16.013 2.023 1.00 0.00 O ATOM 387 CB VAL A 422 -7.446 -14.166 -0.359 1.00 0.00 C ATOM 388 CG1 VAL A 422 -7.111 -15.085 -1.525 1.00 0.00 C ATOM 389 CG2 VAL A 422 -7.466 -12.711 -0.805 1.00 0.00 C ATOM 0 H VAL A 422 -8.830 -13.583 2.127 1.00 0.00 H new ATOM 0 HA VAL A 422 -9.548 -14.631 -0.518 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.669 -14.280 0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -6.153 -14.793 -1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -7.051 -16.114 -1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -7.889 -15.007 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -6.504 -12.453 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -8.254 -12.568 -1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -7.654 -12.069 0.056 1.00 0.00 H new ATOM 399 N LYS A 423 -9.219 -16.945 0.346 1.00 0.00 N ATOM 400 CA LYS A 423 -9.154 -18.292 0.901 1.00 0.00 C ATOM 401 C LYS A 423 -7.724 -18.824 0.873 1.00 0.00 C ATOM 402 O LYS A 423 -7.312 -19.570 1.760 1.00 0.00 O ATOM 403 CB LYS A 423 -10.076 -19.232 0.124 1.00 0.00 C ATOM 404 CG LYS A 423 -11.479 -19.323 0.701 1.00 0.00 C ATOM 405 CD LYS A 423 -12.238 -18.015 0.538 1.00 0.00 C ATOM 406 CE LYS A 423 -12.310 -17.245 1.847 1.00 0.00 C ATOM 407 NZ LYS A 423 -12.745 -15.836 1.639 1.00 0.00 N ATOM 0 H LYS A 423 -9.728 -16.876 -0.535 1.00 0.00 H new ATOM 0 HA LYS A 423 -9.485 -18.246 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -10.139 -18.893 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -9.634 -20.228 0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -12.025 -20.125 0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -11.422 -19.582 1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -11.750 -17.402 -0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -13.247 -18.221 0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -13.004 -17.743 2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -11.332 -17.256 2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -12.896 -15.380 2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -12.011 -15.320 1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -13.633 -15.823 1.097 1.00 0.00 H new ATOM 421 N GLY A 424 -6.975 -18.435 -0.153 1.00 0.00 N ATOM 422 CA GLY A 424 -5.600 -18.883 -0.279 1.00 0.00 C ATOM 423 C GLY A 424 -4.663 -18.182 0.687 1.00 0.00 C ATOM 424 O GLY A 424 -3.526 -18.610 0.879 1.00 0.00 O ATOM 0 H GLY A 424 -7.295 -17.818 -0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -5.556 -19.958 -0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -5.258 -18.710 -1.300 1.00 0.00 H new ATOM 428 N ASN A 425 -5.139 -17.100 1.298 1.00 0.00 N ATOM 429 CA ASN A 425 -4.332 -16.342 2.248 1.00 0.00 C ATOM 430 C ASN A 425 -4.945 -16.396 3.646 1.00 0.00 C ATOM 431 O ASN A 425 -6.155 -16.232 3.806 1.00 0.00 O ATOM 432 CB ASN A 425 -4.205 -14.888 1.791 1.00 0.00 C ATOM 433 CG ASN A 425 -3.513 -14.760 0.448 1.00 0.00 C ATOM 434 OD1 ASN A 425 -3.896 -15.411 -0.525 1.00 0.00 O ATOM 435 ND2 ASN A 425 -2.484 -13.921 0.388 1.00 0.00 N ATOM 0 H ASN A 425 -6.078 -16.730 1.152 1.00 0.00 H new ATOM 0 HA ASN A 425 -3.340 -16.792 2.288 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -5.198 -14.442 1.729 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -3.648 -14.323 2.538 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -1.978 -13.797 -0.489 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -2.200 -13.401 1.219 1.00 0.00 H new ATOM 442 N PRO A 426 -4.119 -16.628 4.683 1.00 0.00 N ATOM 443 CA PRO A 426 -4.595 -16.702 6.067 1.00 0.00 C ATOM 444 C PRO A 426 -4.935 -15.329 6.637 1.00 0.00 C ATOM 445 O PRO A 426 -5.771 -15.208 7.533 1.00 0.00 O ATOM 446 CB PRO A 426 -3.409 -17.312 6.812 1.00 0.00 C ATOM 447 CG PRO A 426 -2.215 -16.892 6.026 1.00 0.00 C ATOM 448 CD PRO A 426 -2.661 -16.836 4.589 1.00 0.00 C ATOM 0 HA PRO A 426 -5.515 -17.280 6.154 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -3.356 -16.948 7.838 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -3.489 -18.398 6.862 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -1.851 -15.920 6.359 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -1.396 -17.600 6.153 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -2.174 -16.023 4.050 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -2.421 -17.758 4.059 1.00 0.00 H new ATOM 456 N TYR A 427 -4.280 -14.297 6.114 1.00 0.00 N ATOM 457 CA TYR A 427 -4.512 -12.933 6.575 1.00 0.00 C ATOM 458 C TYR A 427 -5.377 -12.162 5.578 1.00 0.00 C ATOM 459 O TYR A 427 -5.226 -12.315 4.366 1.00 0.00 O ATOM 460 CB TYR A 427 -3.181 -12.208 6.780 1.00 0.00 C ATOM 461 CG TYR A 427 -2.130 -13.049 7.470 1.00 0.00 C ATOM 462 CD1 TYR A 427 -2.241 -13.365 8.817 1.00 0.00 C ATOM 463 CD2 TYR A 427 -1.028 -13.528 6.771 1.00 0.00 C ATOM 464 CE1 TYR A 427 -1.283 -14.133 9.452 1.00 0.00 C ATOM 465 CE2 TYR A 427 -0.067 -14.297 7.398 1.00 0.00 C ATOM 466 CZ TYR A 427 -0.198 -14.597 8.738 1.00 0.00 C ATOM 467 OH TYR A 427 0.759 -15.362 9.365 1.00 0.00 O ATOM 0 H TYR A 427 -3.585 -14.379 5.372 1.00 0.00 H new ATOM 0 HA TYR A 427 -5.041 -12.982 7.527 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -2.799 -11.888 5.811 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -3.355 -11.306 7.367 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -3.090 -13.005 9.379 1.00 0.00 H new ATOM 0 HD2 TYR A 427 -0.922 -13.295 5.722 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -1.384 -14.368 10.501 1.00 0.00 H new ATOM 0 HE2 TYR A 427 0.784 -14.662 6.841 1.00 0.00 H new ATOM 0 HH TYR A 427 1.455 -15.608 8.720 1.00 0.00 H new ATOM 477 N PRO A 428 -6.298 -11.319 6.077 1.00 0.00 N ATOM 478 CA PRO A 428 -7.185 -10.527 5.224 1.00 0.00 C ATOM 479 C PRO A 428 -6.477 -9.325 4.608 1.00 0.00 C ATOM 480 O PRO A 428 -5.376 -8.961 5.022 1.00 0.00 O ATOM 481 CB PRO A 428 -8.274 -10.065 6.191 1.00 0.00 C ATOM 482 CG PRO A 428 -7.591 -9.987 7.511 1.00 0.00 C ATOM 483 CD PRO A 428 -6.550 -11.073 7.512 1.00 0.00 C ATOM 0 HA PRO A 428 -7.559 -11.101 4.376 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -8.682 -9.098 5.897 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -9.107 -10.768 6.216 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -7.132 -9.009 7.654 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -8.301 -10.129 8.325 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -5.644 -10.758 8.029 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -6.909 -11.971 8.015 1.00 0.00 H new ATOM 491 N ARG A 429 -7.115 -8.712 3.615 1.00 0.00 N ATOM 492 CA ARG A 429 -6.546 -7.552 2.941 1.00 0.00 C ATOM 493 C ARG A 429 -7.259 -6.272 3.366 1.00 0.00 C ATOM 494 O ARG A 429 -8.436 -6.076 3.062 1.00 0.00 O ATOM 495 CB ARG A 429 -6.639 -7.719 1.422 1.00 0.00 C ATOM 496 CG ARG A 429 -5.497 -8.528 0.829 1.00 0.00 C ATOM 497 CD ARG A 429 -5.969 -9.386 -0.334 1.00 0.00 C ATOM 498 NE ARG A 429 -5.068 -10.509 -0.586 1.00 0.00 N ATOM 499 CZ ARG A 429 -3.919 -10.402 -1.250 1.00 0.00 C ATOM 500 NH1 ARG A 429 -3.526 -9.229 -1.729 1.00 0.00 N ATOM 501 NH2 ARG A 429 -3.160 -11.475 -1.435 1.00 0.00 N ATOM 0 H ARG A 429 -8.027 -9.000 3.260 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.497 -7.477 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -7.583 -8.204 1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -6.655 -6.733 0.957 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -4.710 -7.854 0.490 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -5.062 -9.165 1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -6.969 -9.764 -0.123 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -6.043 -8.772 -1.231 1.00 0.00 H new ATOM 0 HE ARG A 429 -5.335 -11.428 -0.233 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -4.105 -8.401 -1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -2.644 -9.155 -2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -3.457 -12.379 -1.069 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -2.279 -11.395 -1.943 1.00 0.00 H new ATOM 515 N SER A 430 -6.540 -5.405 4.072 1.00 0.00 N ATOM 516 CA SER A 430 -7.103 -4.145 4.538 1.00 0.00 C ATOM 517 C SER A 430 -6.635 -2.983 3.669 1.00 0.00 C ATOM 518 O SER A 430 -5.436 -2.793 3.462 1.00 0.00 O ATOM 519 CB SER A 430 -6.712 -3.896 5.996 1.00 0.00 C ATOM 520 OG SER A 430 -7.159 -4.948 6.833 1.00 0.00 O ATOM 0 H SER A 430 -5.565 -5.553 4.334 1.00 0.00 H new ATOM 0 HA SER A 430 -8.188 -4.214 4.466 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.629 -3.801 6.074 1.00 0.00 H new ATOM 0 HB3 SER A 430 -7.140 -2.952 6.334 1.00 0.00 H new ATOM 0 HG SER A 430 -6.894 -4.765 7.759 1.00 0.00 H new ATOM 526 N TYR A 431 -7.588 -2.208 3.162 1.00 0.00 N ATOM 527 CA TYR A 431 -7.272 -1.064 2.313 1.00 0.00 C ATOM 528 C TYR A 431 -7.628 0.244 3.012 1.00 0.00 C ATOM 529 O TYR A 431 -8.702 0.372 3.601 1.00 0.00 O ATOM 530 CB TYR A 431 -8.022 -1.167 0.983 1.00 0.00 C ATOM 531 CG TYR A 431 -7.837 -2.495 0.284 1.00 0.00 C ATOM 532 CD1 TYR A 431 -6.577 -3.072 0.169 1.00 0.00 C ATOM 533 CD2 TYR A 431 -8.920 -3.172 -0.261 1.00 0.00 C ATOM 534 CE1 TYR A 431 -6.404 -4.285 -0.469 1.00 0.00 C ATOM 535 CE2 TYR A 431 -8.754 -4.386 -0.901 1.00 0.00 C ATOM 536 CZ TYR A 431 -7.495 -4.938 -1.002 1.00 0.00 C ATOM 537 OH TYR A 431 -7.327 -6.147 -1.639 1.00 0.00 O ATOM 0 H TYR A 431 -8.585 -2.351 3.324 1.00 0.00 H new ATOM 0 HA TYR A 431 -6.200 -1.071 2.118 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -9.085 -1.005 1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -7.684 -0.368 0.323 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -5.720 -2.564 0.585 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -9.908 -2.743 -0.184 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -5.419 -4.720 -0.550 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -9.607 -4.900 -1.320 1.00 0.00 H new ATOM 0 HH TYR A 431 -6.564 -6.621 -1.246 1.00 0.00 H new ATOM 547 N TYR A 432 -6.722 1.213 2.941 1.00 0.00 N ATOM 548 CA TYR A 432 -6.942 2.513 3.565 1.00 0.00 C ATOM 549 C TYR A 432 -6.686 3.643 2.573 1.00 0.00 C ATOM 550 O TYR A 432 -6.444 3.401 1.390 1.00 0.00 O ATOM 551 CB TYR A 432 -6.031 2.674 4.785 1.00 0.00 C ATOM 552 CG TYR A 432 -6.054 1.485 5.719 1.00 0.00 C ATOM 553 CD1 TYR A 432 -5.426 0.294 5.372 1.00 0.00 C ATOM 554 CD2 TYR A 432 -6.702 1.553 6.945 1.00 0.00 C ATOM 555 CE1 TYR A 432 -5.445 -0.795 6.223 1.00 0.00 C ATOM 556 CE2 TYR A 432 -6.725 0.468 7.802 1.00 0.00 C ATOM 557 CZ TYR A 432 -6.095 -0.703 7.435 1.00 0.00 C ATOM 558 OH TYR A 432 -6.115 -1.786 8.285 1.00 0.00 O ATOM 0 H TYR A 432 -5.828 1.123 2.458 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.983 2.564 3.885 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -5.009 2.839 4.445 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -6.331 3.565 5.337 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -4.916 0.219 4.423 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -7.196 2.469 7.234 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -4.953 -1.714 5.940 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -7.233 0.537 8.753 1.00 0.00 H new ATOM 0 HH TYR A 432 -6.394 -1.496 9.178 1.00 0.00 H new ATOM 568 N LYS A 433 -6.745 4.877 3.062 1.00 0.00 N ATOM 569 CA LYS A 433 -6.521 6.044 2.216 1.00 0.00 C ATOM 570 C LYS A 433 -6.353 7.306 3.057 1.00 0.00 C ATOM 571 O LYS A 433 -7.184 7.609 3.912 1.00 0.00 O ATOM 572 CB LYS A 433 -7.684 6.221 1.237 1.00 0.00 C ATOM 573 CG LYS A 433 -9.032 6.391 1.919 1.00 0.00 C ATOM 574 CD LYS A 433 -9.552 7.814 1.784 1.00 0.00 C ATOM 575 CE LYS A 433 -10.958 7.951 2.347 1.00 0.00 C ATOM 576 NZ LYS A 433 -11.990 7.931 1.274 1.00 0.00 N ATOM 0 H LYS A 433 -6.946 5.095 4.038 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.602 5.881 1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.491 7.091 0.610 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -7.727 5.355 0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -9.751 5.697 1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -8.941 6.135 2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -8.882 8.498 2.305 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -9.550 8.105 0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -11.149 7.139 3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -11.035 8.882 2.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -12.934 8.027 1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -11.824 8.721 0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -11.934 7.032 0.755 1.00 0.00 H new ATOM 590 N CYS A 434 -5.273 8.039 2.805 1.00 0.00 N ATOM 591 CA CYS A 434 -4.995 9.268 3.538 1.00 0.00 C ATOM 592 C CYS A 434 -6.072 10.315 3.266 1.00 0.00 C ATOM 593 O CYS A 434 -6.042 10.999 2.243 1.00 0.00 O ATOM 594 CB CYS A 434 -3.621 9.818 3.147 1.00 0.00 C ATOM 595 SG CYS A 434 -2.979 11.075 4.278 1.00 0.00 S ATOM 0 H CYS A 434 -4.576 7.803 2.099 1.00 0.00 H new ATOM 0 HA CYS A 434 -4.997 9.038 4.603 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.911 8.992 3.098 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.684 10.244 2.146 1.00 0.00 H new ATOM 600 N THR A 435 -7.023 10.430 4.188 1.00 0.00 N ATOM 601 CA THR A 435 -8.112 11.389 4.048 1.00 0.00 C ATOM 602 C THR A 435 -7.800 12.692 4.780 1.00 0.00 C ATOM 603 O THR A 435 -8.422 13.012 5.793 1.00 0.00 O ATOM 604 CB THR A 435 -9.437 10.814 4.583 1.00 0.00 C ATOM 605 OG1 THR A 435 -10.439 11.838 4.613 1.00 0.00 O ATOM 606 CG2 THR A 435 -9.251 10.239 5.979 1.00 0.00 C ATOM 0 H THR A 435 -7.061 9.871 5.040 1.00 0.00 H new ATOM 0 HA THR A 435 -8.217 11.594 2.983 1.00 0.00 H new ATOM 0 HB THR A 435 -9.757 10.013 3.916 1.00 0.00 H new ATOM 0 HG1 THR A 435 -10.174 12.536 5.248 1.00 0.00 H new ATOM 0 HG21 THR A 435 -10.200 9.839 6.337 1.00 0.00 H new ATOM 0 HG22 THR A 435 -8.509 9.441 5.948 1.00 0.00 H new ATOM 0 HG23 THR A 435 -8.911 11.025 6.654 1.00 0.00 H new ATOM 614 N THR A 436 -6.832 13.438 4.258 1.00 0.00 N ATOM 615 CA THR A 436 -6.438 14.708 4.859 1.00 0.00 C ATOM 616 C THR A 436 -7.065 15.882 4.111 1.00 0.00 C ATOM 617 O THR A 436 -7.536 15.730 2.983 1.00 0.00 O ATOM 618 CB THR A 436 -4.904 14.871 4.872 1.00 0.00 C ATOM 619 OG1 THR A 436 -4.281 13.685 4.362 1.00 0.00 O ATOM 620 CG2 THR A 436 -4.397 15.147 6.280 1.00 0.00 C ATOM 0 H THR A 436 -6.306 13.186 3.421 1.00 0.00 H new ATOM 0 HA THR A 436 -6.799 14.703 5.887 1.00 0.00 H new ATOM 0 HB THR A 436 -4.648 15.720 4.238 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.854 13.198 5.097 1.00 0.00 H new ATOM 0 HG21 THR A 436 -3.313 15.258 6.261 1.00 0.00 H new ATOM 0 HG22 THR A 436 -4.849 16.065 6.656 1.00 0.00 H new ATOM 0 HG23 THR A 436 -4.666 14.316 6.933 1.00 0.00 H new ATOM 628 N PRO A 437 -7.081 17.077 4.729 1.00 0.00 N ATOM 629 CA PRO A 437 -7.655 18.276 4.112 1.00 0.00 C ATOM 630 C PRO A 437 -7.084 18.542 2.723 1.00 0.00 C ATOM 631 O PRO A 437 -6.066 19.219 2.578 1.00 0.00 O ATOM 632 CB PRO A 437 -7.260 19.399 5.076 1.00 0.00 C ATOM 633 CG PRO A 437 -7.077 18.720 6.390 1.00 0.00 C ATOM 634 CD PRO A 437 -6.541 17.351 6.074 1.00 0.00 C ATOM 0 HA PRO A 437 -8.731 18.182 3.965 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -6.343 19.893 4.754 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -8.033 20.165 5.130 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -6.384 19.274 7.023 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -8.021 18.655 6.931 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -5.451 17.334 6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -6.876 16.610 6.800 1.00 0.00 H new ATOM 642 N GLY A 438 -7.746 18.003 1.704 1.00 0.00 N ATOM 643 CA GLY A 438 -7.289 18.191 0.339 1.00 0.00 C ATOM 644 C GLY A 438 -6.511 16.999 -0.181 1.00 0.00 C ATOM 645 O GLY A 438 -6.483 16.745 -1.385 1.00 0.00 O ATOM 0 H GLY A 438 -8.591 17.439 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -8.148 18.370 -0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -6.661 19.081 0.289 1.00 0.00 H new ATOM 649 N CYS A 439 -5.877 16.265 0.727 1.00 0.00 N ATOM 650 CA CYS A 439 -5.094 15.094 0.354 1.00 0.00 C ATOM 651 C CYS A 439 -5.988 13.864 0.212 1.00 0.00 C ATOM 652 O CYS A 439 -6.730 13.514 1.128 1.00 0.00 O ATOM 653 CB CYS A 439 -4.007 14.829 1.398 1.00 0.00 C ATOM 654 SG CYS A 439 -2.926 13.433 1.004 1.00 0.00 S ATOM 0 H CYS A 439 -5.890 16.461 1.728 1.00 0.00 H new ATOM 0 HA CYS A 439 -4.624 15.293 -0.609 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.398 15.726 1.508 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.482 14.646 2.362 1.00 0.00 H new ATOM 659 N GLY A 440 -5.911 13.214 -0.946 1.00 0.00 N ATOM 660 CA GLY A 440 -6.718 12.033 -1.189 1.00 0.00 C ATOM 661 C GLY A 440 -5.893 10.860 -1.681 1.00 0.00 C ATOM 662 O GLY A 440 -6.083 10.386 -2.800 1.00 0.00 O ATOM 0 H GLY A 440 -5.304 13.485 -1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.232 11.752 -0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -7.487 12.267 -1.925 1.00 0.00 H new ATOM 666 N VAL A 441 -4.974 10.390 -0.843 1.00 0.00 N ATOM 667 CA VAL A 441 -4.117 9.265 -1.200 1.00 0.00 C ATOM 668 C VAL A 441 -4.753 7.940 -0.797 1.00 0.00 C ATOM 669 O VAL A 441 -5.435 7.853 0.224 1.00 0.00 O ATOM 670 CB VAL A 441 -2.731 9.381 -0.537 1.00 0.00 C ATOM 671 CG1 VAL A 441 -1.804 8.285 -1.040 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.129 10.755 -0.790 1.00 0.00 C ATOM 0 H VAL A 441 -4.804 10.771 0.088 1.00 0.00 H new ATOM 0 HA VAL A 441 -3.996 9.291 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 441 -2.854 9.256 0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -0.830 8.384 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.229 7.310 -0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -1.687 8.374 -2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.151 10.817 -0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.021 10.913 -1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.784 11.521 -0.375 1.00 0.00 H new ATOM 682 N ARG A 442 -4.523 6.909 -1.604 1.00 0.00 N ATOM 683 CA ARG A 442 -5.072 5.586 -1.332 1.00 0.00 C ATOM 684 C ARG A 442 -3.966 4.535 -1.301 1.00 0.00 C ATOM 685 O ARG A 442 -3.221 4.376 -2.267 1.00 0.00 O ATOM 686 CB ARG A 442 -6.114 5.215 -2.389 1.00 0.00 C ATOM 687 CG ARG A 442 -7.112 6.326 -2.677 1.00 0.00 C ATOM 688 CD ARG A 442 -8.490 5.997 -2.124 1.00 0.00 C ATOM 689 NE ARG A 442 -9.556 6.632 -2.895 1.00 0.00 N ATOM 690 CZ ARG A 442 -10.008 6.168 -4.058 1.00 0.00 C ATOM 691 NH1 ARG A 442 -9.489 5.066 -4.587 1.00 0.00 N ATOM 692 NH2 ARG A 442 -10.980 6.806 -4.694 1.00 0.00 N ATOM 0 H ARG A 442 -3.960 6.965 -2.452 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.552 5.613 -0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.602 4.949 -3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.655 4.329 -2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -6.756 7.258 -2.238 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -7.180 6.485 -3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -8.634 4.917 -2.129 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -8.551 6.322 -1.085 1.00 0.00 H new ATOM 0 HE ARG A 442 -9.979 7.481 -2.520 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -8.741 4.571 -4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -9.839 4.715 -5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -11.382 7.653 -4.292 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -11.326 6.450 -5.585 1.00 0.00 H new ATOM 706 N LYS A 443 -3.867 3.821 -0.184 1.00 0.00 N ATOM 707 CA LYS A 443 -2.852 2.785 -0.027 1.00 0.00 C ATOM 708 C LYS A 443 -3.496 1.421 0.191 1.00 0.00 C ATOM 709 O LYS A 443 -4.591 1.321 0.743 1.00 0.00 O ATOM 710 CB LYS A 443 -1.928 3.119 1.145 1.00 0.00 C ATOM 711 CG LYS A 443 -2.634 3.139 2.490 1.00 0.00 C ATOM 712 CD LYS A 443 -1.650 3.328 3.634 1.00 0.00 C ATOM 713 CE LYS A 443 -2.181 2.745 4.933 1.00 0.00 C ATOM 714 NZ LYS A 443 -1.233 1.765 5.530 1.00 0.00 N ATOM 0 H LYS A 443 -4.477 3.941 0.625 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.264 2.747 -0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -1.120 2.388 1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.470 4.093 0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -3.369 3.944 2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -3.180 2.206 2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.703 2.852 3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -1.447 4.391 3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -2.366 3.551 5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -3.138 2.258 4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -1.632 1.390 6.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -1.076 0.983 4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -0.328 2.236 5.731 1.00 0.00 H new ATOM 728 N HIS A 444 -2.808 0.370 -0.245 1.00 0.00 N ATOM 729 CA HIS A 444 -3.312 -0.990 -0.097 1.00 0.00 C ATOM 730 C HIS A 444 -2.364 -1.831 0.752 1.00 0.00 C ATOM 731 O HIS A 444 -1.177 -1.942 0.449 1.00 0.00 O ATOM 732 CB HIS A 444 -3.499 -1.641 -1.470 1.00 0.00 C ATOM 733 CG HIS A 444 -4.198 -0.760 -2.459 1.00 0.00 C ATOM 734 ND1 HIS A 444 -3.690 -0.481 -3.709 1.00 0.00 N ATOM 735 CD2 HIS A 444 -5.376 -0.097 -2.375 1.00 0.00 C ATOM 736 CE1 HIS A 444 -4.523 0.318 -4.352 1.00 0.00 C ATOM 737 NE2 HIS A 444 -5.555 0.566 -3.565 1.00 0.00 N ATOM 0 H HIS A 444 -1.899 0.435 -0.704 1.00 0.00 H new ATOM 0 HA HIS A 444 -4.277 -0.940 0.407 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -2.523 -1.917 -1.868 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -4.068 -2.563 -1.352 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.049 -0.091 -1.530 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -4.384 0.703 -5.351 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -6.354 1.154 -3.802 1.00 0.00 H new ATOM 746 N VAL A 445 -2.898 -2.420 1.817 1.00 0.00 N ATOM 747 CA VAL A 445 -2.099 -3.251 2.711 1.00 0.00 C ATOM 748 C VAL A 445 -2.362 -4.732 2.466 1.00 0.00 C ATOM 749 O VAL A 445 -3.333 -5.293 2.978 1.00 0.00 O ATOM 750 CB VAL A 445 -2.389 -2.927 4.188 1.00 0.00 C ATOM 751 CG1 VAL A 445 -1.411 -3.655 5.098 1.00 0.00 C ATOM 752 CG2 VAL A 445 -2.333 -1.425 4.427 1.00 0.00 C ATOM 0 H VAL A 445 -3.880 -2.338 2.082 1.00 0.00 H new ATOM 0 HA VAL A 445 -1.053 -3.030 2.497 1.00 0.00 H new ATOM 0 HB VAL A 445 -3.395 -3.272 4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -1.632 -3.413 6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -1.506 -4.730 4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.393 -3.344 4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -2.541 -1.216 5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.341 -1.053 4.172 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -3.078 -0.929 3.804 1.00 0.00 H new ATOM 762 N GLU A 446 -1.493 -5.361 1.682 1.00 0.00 N ATOM 763 CA GLU A 446 -1.632 -6.779 1.370 1.00 0.00 C ATOM 764 C GLU A 446 -0.429 -7.568 1.879 1.00 0.00 C ATOM 765 O GLU A 446 0.691 -7.057 1.913 1.00 0.00 O ATOM 766 CB GLU A 446 -1.786 -6.979 -0.138 1.00 0.00 C ATOM 767 CG GLU A 446 -2.792 -6.034 -0.777 1.00 0.00 C ATOM 768 CD GLU A 446 -2.840 -6.169 -2.286 1.00 0.00 C ATOM 769 OE1 GLU A 446 -1.792 -5.963 -2.934 1.00 0.00 O ATOM 770 OE2 GLU A 446 -3.924 -6.481 -2.821 1.00 0.00 O ATOM 0 H GLU A 446 -0.685 -4.912 1.251 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.526 -7.149 1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -0.816 -6.841 -0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -2.093 -8.007 -0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -3.782 -6.231 -0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -2.537 -5.007 -0.516 1.00 0.00 H new ATOM 777 N ARG A 447 -0.667 -8.816 2.269 1.00 0.00 N ATOM 778 CA ARG A 447 0.396 -9.676 2.774 1.00 0.00 C ATOM 779 C ARG A 447 0.592 -10.887 1.869 1.00 0.00 C ATOM 780 O ARG A 447 -0.334 -11.668 1.651 1.00 0.00 O ATOM 781 CB ARG A 447 0.077 -10.135 4.199 1.00 0.00 C ATOM 782 CG ARG A 447 0.463 -9.124 5.266 1.00 0.00 C ATOM 783 CD ARG A 447 -0.757 -8.417 5.834 1.00 0.00 C ATOM 784 NE ARG A 447 -0.402 -7.177 6.520 1.00 0.00 N ATOM 785 CZ ARG A 447 -1.195 -6.561 7.394 1.00 0.00 C ATOM 786 NH1 ARG A 447 -2.386 -7.063 7.692 1.00 0.00 N ATOM 787 NH2 ARG A 447 -0.794 -5.437 7.973 1.00 0.00 N ATOM 0 H ARG A 447 -1.588 -9.254 2.245 1.00 0.00 H new ATOM 0 HA ARG A 447 1.321 -9.100 2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -0.991 -10.341 4.275 1.00 0.00 H new ATOM 0 HB3 ARG A 447 0.597 -11.073 4.394 1.00 0.00 H new ATOM 0 HG2 ARG A 447 0.999 -9.629 6.070 1.00 0.00 H new ATOM 0 HG3 ARG A 447 1.146 -8.388 4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -1.457 -8.197 5.028 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -1.270 -9.082 6.529 1.00 0.00 H new ATOM 0 HE ARG A 447 0.506 -6.759 6.318 1.00 0.00 H new ATOM 0 HH11 ARG A 447 -2.700 -7.927 7.250 1.00 0.00 H new ATOM 0 HH12 ARG A 447 -2.988 -6.585 8.363 1.00 0.00 H new ATOM 0 HH21 ARG A 447 0.121 -5.046 7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -1.400 -4.964 8.643 1.00 0.00 H new ATOM 801 N ALA A 448 1.805 -11.038 1.345 1.00 0.00 N ATOM 802 CA ALA A 448 2.122 -12.155 0.463 1.00 0.00 C ATOM 803 C ALA A 448 2.240 -13.457 1.248 1.00 0.00 C ATOM 804 O ALA A 448 3.169 -13.637 2.035 1.00 0.00 O ATOM 805 CB ALA A 448 3.408 -11.874 -0.299 1.00 0.00 C ATOM 0 H ALA A 448 2.583 -10.401 1.516 1.00 0.00 H new ATOM 0 HA ALA A 448 1.307 -12.267 -0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 448 3.634 -12.715 -0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 448 3.287 -10.971 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 448 4.226 -11.734 0.407 1.00 0.00 H new ATOM 811 N ALA A 449 1.290 -14.361 1.028 1.00 0.00 N ATOM 812 CA ALA A 449 1.285 -15.647 1.714 1.00 0.00 C ATOM 813 C ALA A 449 2.261 -16.622 1.064 1.00 0.00 C ATOM 814 O ALA A 449 3.100 -17.217 1.740 1.00 0.00 O ATOM 815 CB ALA A 449 -0.119 -16.233 1.724 1.00 0.00 C ATOM 0 H ALA A 449 0.514 -14.226 0.380 1.00 0.00 H new ATOM 0 HA ALA A 449 1.608 -15.483 2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 449 -0.109 -17.193 2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.794 -15.551 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 449 -0.461 -16.375 0.699 1.00 0.00 H new ATOM 821 N THR A 450 2.148 -16.780 -0.251 1.00 0.00 N ATOM 822 CA THR A 450 3.023 -17.681 -0.993 1.00 0.00 C ATOM 823 C THR A 450 4.490 -17.359 -0.734 1.00 0.00 C ATOM 824 O THR A 450 5.345 -18.245 -0.754 1.00 0.00 O ATOM 825 CB THR A 450 2.750 -17.608 -2.508 1.00 0.00 C ATOM 826 OG1 THR A 450 2.308 -16.292 -2.863 1.00 0.00 O ATOM 827 CG2 THR A 450 1.700 -18.630 -2.921 1.00 0.00 C ATOM 0 H THR A 450 1.458 -16.295 -0.825 1.00 0.00 H new ATOM 0 HA THR A 450 2.809 -18.691 -0.642 1.00 0.00 H new ATOM 0 HB THR A 450 3.678 -17.834 -3.033 1.00 0.00 H new ATOM 0 HG1 THR A 450 2.138 -16.253 -3.827 1.00 0.00 H new ATOM 0 HG21 THR A 450 1.525 -18.558 -3.994 1.00 0.00 H new ATOM 0 HG22 THR A 450 2.052 -19.632 -2.677 1.00 0.00 H new ATOM 0 HG23 THR A 450 0.770 -18.432 -2.388 1.00 0.00 H new ATOM 835 N ASP A 451 4.774 -16.085 -0.492 1.00 0.00 N ATOM 836 CA ASP A 451 6.136 -15.639 -0.226 1.00 0.00 C ATOM 837 C ASP A 451 6.442 -15.709 1.269 1.00 0.00 C ATOM 838 O ASP A 451 5.532 -15.710 2.096 1.00 0.00 O ATOM 839 CB ASP A 451 6.332 -14.209 -0.737 1.00 0.00 C ATOM 840 CG ASP A 451 7.359 -14.128 -1.851 1.00 0.00 C ATOM 841 OD1 ASP A 451 7.505 -15.120 -2.596 1.00 0.00 O ATOM 842 OD2 ASP A 451 8.015 -13.074 -1.977 1.00 0.00 O ATOM 0 H ASP A 451 4.077 -15.341 -0.475 1.00 0.00 H new ATOM 0 HA ASP A 451 6.825 -16.301 -0.752 1.00 0.00 H new ATOM 0 HB2 ASP A 451 5.379 -13.821 -1.096 1.00 0.00 H new ATOM 0 HB3 ASP A 451 6.645 -13.571 0.089 1.00 0.00 H new ATOM 847 N PRO A 452 7.735 -15.772 1.637 1.00 0.00 N ATOM 848 CA PRO A 452 8.152 -15.842 3.042 1.00 0.00 C ATOM 849 C PRO A 452 7.836 -14.559 3.803 1.00 0.00 C ATOM 850 O PRO A 452 8.738 -13.845 4.244 1.00 0.00 O ATOM 851 CB PRO A 452 9.666 -16.055 2.956 1.00 0.00 C ATOM 852 CG PRO A 452 10.050 -15.501 1.628 1.00 0.00 C ATOM 853 CD PRO A 452 8.887 -15.778 0.718 1.00 0.00 C ATOM 0 HA PRO A 452 7.629 -16.631 3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 452 10.185 -15.541 3.765 1.00 0.00 H new ATOM 0 HB3 PRO A 452 9.922 -17.112 3.034 1.00 0.00 H new ATOM 0 HG2 PRO A 452 10.250 -14.431 1.693 1.00 0.00 H new ATOM 0 HG3 PRO A 452 10.959 -15.973 1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 452 8.790 -15.016 -0.055 1.00 0.00 H new ATOM 0 HD3 PRO A 452 8.992 -16.736 0.210 1.00 0.00 H new ATOM 861 N LYS A 453 6.548 -14.269 3.950 1.00 0.00 N ATOM 862 CA LYS A 453 6.104 -13.071 4.655 1.00 0.00 C ATOM 863 C LYS A 453 6.528 -11.812 3.906 1.00 0.00 C ATOM 864 O LYS A 453 7.495 -11.149 4.281 1.00 0.00 O ATOM 865 CB LYS A 453 6.663 -13.051 6.080 1.00 0.00 C ATOM 866 CG LYS A 453 5.661 -12.576 7.120 1.00 0.00 C ATOM 867 CD LYS A 453 5.977 -11.168 7.600 1.00 0.00 C ATOM 868 CE LYS A 453 4.710 -10.367 7.846 1.00 0.00 C ATOM 869 NZ LYS A 453 4.971 -9.153 8.670 1.00 0.00 N ATOM 0 H LYS A 453 5.790 -14.849 3.589 1.00 0.00 H new ATOM 0 HA LYS A 453 5.015 -13.091 4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 453 7.000 -14.054 6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.539 -12.403 6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 453 4.657 -12.600 6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 453 5.665 -13.260 7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 453 6.561 -11.218 8.519 1.00 0.00 H new ATOM 0 HD3 LYS A 453 6.592 -10.659 6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 453 4.276 -10.071 6.891 1.00 0.00 H new ATOM 0 HE3 LYS A 453 3.975 -10.996 8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 4.081 -8.634 8.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 5.361 -9.436 9.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 5.653 -8.540 8.179 1.00 0.00 H new ATOM 883 N ALA A 454 5.800 -11.489 2.841 1.00 0.00 N ATOM 884 CA ALA A 454 6.102 -10.312 2.037 1.00 0.00 C ATOM 885 C ALA A 454 5.013 -9.254 2.180 1.00 0.00 C ATOM 886 O ALA A 454 3.871 -9.464 1.773 1.00 0.00 O ATOM 887 CB ALA A 454 6.277 -10.701 0.575 1.00 0.00 C ATOM 0 H ALA A 454 4.997 -12.027 2.516 1.00 0.00 H new ATOM 0 HA ALA A 454 7.036 -9.884 2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 454 6.502 -9.812 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 454 7.097 -11.414 0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 454 5.358 -11.156 0.207 1.00 0.00 H new ATOM 893 N VAL A 455 5.374 -8.114 2.762 1.00 0.00 N ATOM 894 CA VAL A 455 4.429 -7.022 2.959 1.00 0.00 C ATOM 895 C VAL A 455 4.430 -6.073 1.765 1.00 0.00 C ATOM 896 O VAL A 455 5.210 -5.121 1.718 1.00 0.00 O ATOM 897 CB VAL A 455 4.749 -6.224 4.236 1.00 0.00 C ATOM 898 CG1 VAL A 455 3.644 -5.222 4.532 1.00 0.00 C ATOM 899 CG2 VAL A 455 4.957 -7.163 5.414 1.00 0.00 C ATOM 0 H VAL A 455 6.315 -7.923 3.105 1.00 0.00 H new ATOM 0 HA VAL A 455 3.442 -7.473 3.061 1.00 0.00 H new ATOM 0 HB VAL A 455 5.674 -5.671 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 455 3.889 -4.668 5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 455 3.549 -4.528 3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 455 2.701 -5.751 4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 455 5.182 -6.581 6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 455 4.051 -7.746 5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 455 5.787 -7.836 5.201 1.00 0.00 H new ATOM 909 N VAL A 456 3.555 -6.339 0.802 1.00 0.00 N ATOM 910 CA VAL A 456 3.455 -5.509 -0.392 1.00 0.00 C ATOM 911 C VAL A 456 2.458 -4.371 -0.188 1.00 0.00 C ATOM 912 O VAL A 456 1.262 -4.602 -0.024 1.00 0.00 O ATOM 913 CB VAL A 456 3.034 -6.339 -1.621 1.00 0.00 C ATOM 914 CG1 VAL A 456 1.658 -6.953 -1.410 1.00 0.00 C ATOM 915 CG2 VAL A 456 3.058 -5.483 -2.880 1.00 0.00 C ATOM 0 H VAL A 456 2.904 -7.124 0.825 1.00 0.00 H new ATOM 0 HA VAL A 456 4.445 -5.090 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 456 3.751 -7.150 -1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 456 1.380 -7.534 -2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 456 1.680 -7.604 -0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 456 0.926 -6.161 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 456 2.758 -6.087 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 456 2.367 -4.648 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 456 4.066 -5.101 -3.041 1.00 0.00 H new ATOM 925 N THR A 457 2.962 -3.141 -0.200 1.00 0.00 N ATOM 926 CA THR A 457 2.118 -1.967 -0.017 1.00 0.00 C ATOM 927 C THR A 457 2.209 -1.032 -1.216 1.00 0.00 C ATOM 928 O THR A 457 3.298 -0.621 -1.616 1.00 0.00 O ATOM 929 CB THR A 457 2.504 -1.189 1.254 1.00 0.00 C ATOM 930 OG1 THR A 457 2.932 -2.099 2.276 1.00 0.00 O ATOM 931 CG2 THR A 457 1.329 -0.367 1.763 1.00 0.00 C ATOM 0 H THR A 457 3.951 -2.932 -0.335 1.00 0.00 H new ATOM 0 HA THR A 457 1.094 -2.328 0.083 1.00 0.00 H new ATOM 0 HB THR A 457 3.321 -0.512 1.004 1.00 0.00 H new ATOM 0 HG1 THR A 457 3.177 -1.596 3.080 1.00 0.00 H new ATOM 0 HG21 THR A 457 1.626 0.174 2.662 1.00 0.00 H new ATOM 0 HG22 THR A 457 1.023 0.344 0.996 1.00 0.00 H new ATOM 0 HG23 THR A 457 0.496 -1.030 1.997 1.00 0.00 H new ATOM 939 N THR A 458 1.057 -0.699 -1.789 1.00 0.00 N ATOM 940 CA THR A 458 1.005 0.189 -2.945 1.00 0.00 C ATOM 941 C THR A 458 0.434 1.550 -2.567 1.00 0.00 C ATOM 942 O THR A 458 -0.709 1.652 -2.121 1.00 0.00 O ATOM 943 CB THR A 458 0.157 -0.415 -4.081 1.00 0.00 C ATOM 944 OG1 THR A 458 0.162 -1.845 -3.990 1.00 0.00 O ATOM 945 CG2 THR A 458 0.688 0.015 -5.440 1.00 0.00 C ATOM 0 H THR A 458 0.146 -1.031 -1.471 1.00 0.00 H new ATOM 0 HA THR A 458 2.030 0.313 -3.295 1.00 0.00 H new ATOM 0 HB THR A 458 -0.864 -0.049 -3.976 1.00 0.00 H new ATOM 0 HG1 THR A 458 -0.381 -2.221 -4.714 1.00 0.00 H new ATOM 0 HG21 THR A 458 0.073 -0.424 -6.226 1.00 0.00 H new ATOM 0 HG22 THR A 458 0.654 1.102 -5.517 1.00 0.00 H new ATOM 0 HG23 THR A 458 1.718 -0.325 -5.552 1.00 0.00 H new ATOM 953 N TYR A 459 1.235 2.596 -2.748 1.00 0.00 N ATOM 954 CA TYR A 459 0.808 3.950 -2.426 1.00 0.00 C ATOM 955 C TYR A 459 0.329 4.681 -3.675 1.00 0.00 C ATOM 956 O TYR A 459 1.134 5.182 -4.462 1.00 0.00 O ATOM 957 CB TYR A 459 1.953 4.728 -1.773 1.00 0.00 C ATOM 958 CG TYR A 459 2.035 4.546 -0.275 1.00 0.00 C ATOM 959 CD1 TYR A 459 2.550 3.379 0.275 1.00 0.00 C ATOM 960 CD2 TYR A 459 1.596 5.540 0.590 1.00 0.00 C ATOM 961 CE1 TYR A 459 2.626 3.208 1.644 1.00 0.00 C ATOM 962 CE2 TYR A 459 1.668 5.377 1.960 1.00 0.00 C ATOM 963 CZ TYR A 459 2.184 4.210 2.483 1.00 0.00 C ATOM 964 OH TYR A 459 2.258 4.044 3.845 1.00 0.00 O ATOM 0 H TYR A 459 2.184 2.530 -3.116 1.00 0.00 H new ATOM 0 HA TYR A 459 -0.023 3.884 -1.724 1.00 0.00 H new ATOM 0 HB2 TYR A 459 2.896 4.413 -2.220 1.00 0.00 H new ATOM 0 HB3 TYR A 459 1.833 5.788 -1.995 1.00 0.00 H new ATOM 0 HD1 TYR A 459 2.897 2.592 -0.378 1.00 0.00 H new ATOM 0 HD2 TYR A 459 1.192 6.456 0.185 1.00 0.00 H new ATOM 0 HE1 TYR A 459 3.029 2.294 2.055 1.00 0.00 H new ATOM 0 HE2 TYR A 459 1.322 6.160 2.618 1.00 0.00 H new ATOM 0 HH TYR A 459 1.907 4.843 4.291 1.00 0.00 H new ATOM 974 N GLU A 460 -0.987 4.742 -3.852 1.00 0.00 N ATOM 975 CA GLU A 460 -1.574 5.413 -5.006 1.00 0.00 C ATOM 976 C GLU A 460 -1.799 6.893 -4.717 1.00 0.00 C ATOM 977 O GLU A 460 -2.768 7.267 -4.056 1.00 0.00 O ATOM 978 CB GLU A 460 -2.897 4.748 -5.388 1.00 0.00 C ATOM 979 CG GLU A 460 -2.752 3.676 -6.457 1.00 0.00 C ATOM 980 CD GLU A 460 -2.434 4.256 -7.822 1.00 0.00 C ATOM 981 OE1 GLU A 460 -3.112 5.221 -8.231 1.00 0.00 O ATOM 982 OE2 GLU A 460 -1.506 3.742 -8.484 1.00 0.00 O ATOM 0 H GLU A 460 -1.667 4.335 -3.210 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.878 5.327 -5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.341 4.304 -4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -3.589 5.512 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -1.962 2.983 -6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -3.675 3.100 -6.517 1.00 0.00 H new ATOM 989 N GLY A 461 -0.899 7.732 -5.219 1.00 0.00 N ATOM 990 CA GLY A 461 -1.017 9.162 -5.005 1.00 0.00 C ATOM 991 C GLY A 461 0.124 9.723 -4.177 1.00 0.00 C ATOM 992 O GLY A 461 0.875 8.972 -3.554 1.00 0.00 O ATOM 0 H GLY A 461 -0.090 7.447 -5.770 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.045 9.669 -5.969 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -1.962 9.374 -4.506 1.00 0.00 H new ATOM 996 N LYS A 462 0.255 11.044 -4.172 1.00 0.00 N ATOM 997 CA LYS A 462 1.311 11.706 -3.415 1.00 0.00 C ATOM 998 C LYS A 462 0.728 12.710 -2.426 1.00 0.00 C ATOM 999 O LYS A 462 -0.251 13.394 -2.726 1.00 0.00 O ATOM 1000 CB LYS A 462 2.282 12.412 -4.364 1.00 0.00 C ATOM 1001 CG LYS A 462 3.454 11.542 -4.791 1.00 0.00 C ATOM 1002 CD LYS A 462 3.243 10.965 -6.181 1.00 0.00 C ATOM 1003 CE LYS A 462 4.565 10.623 -6.848 1.00 0.00 C ATOM 1004 NZ LYS A 462 4.367 10.015 -8.193 1.00 0.00 N ATOM 0 H LYS A 462 -0.357 11.679 -4.684 1.00 0.00 H new ATOM 0 HA LYS A 462 1.851 10.944 -2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 462 1.739 12.737 -5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 462 2.664 13.310 -3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 462 4.371 12.132 -4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 462 3.586 10.730 -4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 462 2.625 10.069 -6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 462 2.699 11.683 -6.795 1.00 0.00 H new ATOM 0 HE2 LYS A 462 5.168 11.526 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 462 5.123 9.932 -6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 5.292 9.796 -8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 3.813 9.140 -8.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 3.857 10.684 -8.805 1.00 0.00 H new ATOM 1018 N HIS A 463 1.336 12.794 -1.248 1.00 0.00 N ATOM 1019 CA HIS A 463 0.876 13.714 -0.215 1.00 0.00 C ATOM 1020 C HIS A 463 1.082 15.162 -0.646 1.00 0.00 C ATOM 1021 O HIS A 463 1.945 15.458 -1.471 1.00 0.00 O ATOM 1022 CB HIS A 463 1.614 13.451 1.099 1.00 0.00 C ATOM 1023 CG HIS A 463 1.330 12.104 1.686 1.00 0.00 C ATOM 1024 ND1 HIS A 463 0.172 11.810 2.371 1.00 0.00 N ATOM 1025 CD2 HIS A 463 2.062 10.964 1.686 1.00 0.00 C ATOM 1026 CE1 HIS A 463 0.202 10.552 2.770 1.00 0.00 C ATOM 1027 NE2 HIS A 463 1.338 10.015 2.366 1.00 0.00 N ATOM 0 H HIS A 463 2.148 12.236 -0.985 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.190 13.546 -0.064 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.687 13.545 0.929 1.00 0.00 H new ATOM 0 HB3 HIS A 463 1.337 14.219 1.822 1.00 0.00 H new ATOM 0 HD2 HIS A 463 3.034 10.827 1.235 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.571 10.048 3.331 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.631 9.052 2.532 1.00 0.00 H new ATOM 1035 N ASN A 464 0.282 16.062 -0.082 1.00 0.00 N ATOM 1036 CA ASN A 464 0.377 17.480 -0.407 1.00 0.00 C ATOM 1037 C ASN A 464 0.085 18.340 0.818 1.00 0.00 C ATOM 1038 O ASN A 464 -0.444 19.445 0.701 1.00 0.00 O ATOM 1039 CB ASN A 464 -0.596 17.832 -1.534 1.00 0.00 C ATOM 1040 CG ASN A 464 -2.008 17.361 -1.248 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -2.295 16.164 -1.279 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -2.901 18.303 -0.967 1.00 0.00 N ATOM 0 H ASN A 464 -0.439 15.834 0.602 1.00 0.00 H new ATOM 0 HA ASN A 464 1.396 17.684 -0.737 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -0.599 18.912 -1.683 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -0.248 17.383 -2.464 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -3.867 18.046 -0.766 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -2.620 19.284 -0.952 1.00 0.00 H new ATOM 1049 N HIS A 465 0.435 17.826 1.993 1.00 0.00 N ATOM 1050 CA HIS A 465 0.212 18.547 3.239 1.00 0.00 C ATOM 1051 C HIS A 465 1.385 18.372 4.199 1.00 0.00 C ATOM 1052 O HIS A 465 1.264 18.634 5.396 1.00 0.00 O ATOM 1053 CB HIS A 465 -1.078 18.066 3.903 1.00 0.00 C ATOM 1054 CG HIS A 465 -1.076 16.603 4.224 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -0.760 16.106 5.471 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -1.356 15.527 3.452 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -0.846 14.787 5.452 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -1.206 14.411 4.239 1.00 0.00 N ATOM 0 H HIS A 465 0.874 16.913 2.107 1.00 0.00 H new ATOM 0 HA HIS A 465 0.123 19.607 3.000 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -1.237 18.631 4.821 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -1.919 18.284 3.245 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -0.500 16.668 6.281 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -1.644 15.543 2.411 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -0.654 14.129 6.287 1.00 0.00 H new ATOM 1066 N ASP A 466 2.521 17.927 3.669 1.00 0.00 N ATOM 1067 CA ASP A 466 3.714 17.718 4.479 1.00 0.00 C ATOM 1068 C ASP A 466 3.436 16.744 5.621 1.00 0.00 C ATOM 1069 O ASP A 466 2.304 16.295 5.804 1.00 0.00 O ATOM 1070 CB ASP A 466 4.212 19.051 5.042 1.00 0.00 C ATOM 1071 CG ASP A 466 5.071 19.811 4.050 1.00 0.00 C ATOM 1072 OD1 ASP A 466 4.831 19.677 2.832 1.00 0.00 O ATOM 1073 OD2 ASP A 466 5.983 20.542 4.491 1.00 0.00 O ATOM 0 H ASP A 466 2.639 17.704 2.681 1.00 0.00 H new ATOM 0 HA ASP A 466 4.485 17.288 3.840 1.00 0.00 H new ATOM 0 HB2 ASP A 466 3.357 19.666 5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 466 4.786 18.867 5.950 1.00 0.00 H new ATOM 1078 N LEU A 467 4.475 16.421 6.384 1.00 0.00 N ATOM 1079 CA LEU A 467 4.342 15.500 7.506 1.00 0.00 C ATOM 1080 C LEU A 467 3.834 16.229 8.750 1.00 0.00 C ATOM 1081 O LEU A 467 4.407 17.239 9.160 1.00 0.00 O ATOM 1082 CB LEU A 467 5.686 14.835 7.806 1.00 0.00 C ATOM 1083 CG LEU A 467 6.115 13.758 6.804 1.00 0.00 C ATOM 1084 CD1 LEU A 467 7.552 13.984 6.356 1.00 0.00 C ATOM 1085 CD2 LEU A 467 5.955 12.371 7.407 1.00 0.00 C ATOM 0 H LEU A 467 5.418 16.784 6.246 1.00 0.00 H new ATOM 0 HA LEU A 467 3.617 14.734 7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 467 6.456 15.606 7.839 1.00 0.00 H new ATOM 0 HB3 LEU A 467 5.639 14.388 8.799 1.00 0.00 H new ATOM 0 HG LEU A 467 5.468 13.828 5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 467 7.838 13.209 5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 467 7.635 14.961 5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 467 8.213 13.944 7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 467 6.265 11.620 6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 467 6.575 12.289 8.300 1.00 0.00 H new ATOM 0 HD23 LEU A 467 4.911 12.209 7.674 1.00 0.00 H new ATOM 1097 N PRO A 468 2.749 15.728 9.369 1.00 0.00 N ATOM 1098 CA PRO A 468 2.175 16.345 10.569 1.00 0.00 C ATOM 1099 C PRO A 468 3.214 16.550 11.667 1.00 0.00 C ATOM 1100 O PRO A 468 4.353 16.097 11.550 1.00 0.00 O ATOM 1101 CB PRO A 468 1.116 15.337 11.020 1.00 0.00 C ATOM 1102 CG PRO A 468 0.747 14.597 9.783 1.00 0.00 C ATOM 1103 CD PRO A 468 1.999 14.528 8.953 1.00 0.00 C ATOM 0 HA PRO A 468 1.775 17.338 10.363 1.00 0.00 H new ATOM 0 HB2 PRO A 468 1.509 14.664 11.782 1.00 0.00 H new ATOM 0 HB3 PRO A 468 0.251 15.839 11.454 1.00 0.00 H new ATOM 0 HG2 PRO A 468 0.381 13.598 10.020 1.00 0.00 H new ATOM 0 HG3 PRO A 468 -0.050 15.110 9.245 1.00 0.00 H new ATOM 0 HD2 PRO A 468 2.561 13.615 9.148 1.00 0.00 H new ATOM 0 HD3 PRO A 468 1.776 14.543 7.886 1.00 0.00 H new ATOM 1111 N ALA A 469 2.815 17.237 12.731 1.00 0.00 N ATOM 1112 CA ALA A 469 3.710 17.502 13.850 1.00 0.00 C ATOM 1113 C ALA A 469 3.482 16.510 14.984 1.00 0.00 C ATOM 1114 O ALA A 469 4.430 15.771 15.324 1.00 0.00 O ATOM 1115 CB ALA A 469 3.525 18.927 14.347 1.00 0.00 C ATOM 1116 OXT ALA A 469 2.356 16.479 15.524 1.00 0.00 O ATOM 0 H ALA A 469 1.876 17.621 12.842 1.00 0.00 H new ATOM 0 HA ALA A 469 4.735 17.381 13.499 1.00 0.00 H new ATOM 0 HB1 ALA A 469 4.200 19.111 15.183 1.00 0.00 H new ATOM 0 HB2 ALA A 469 3.748 19.625 13.540 1.00 0.00 H new ATOM 0 HB3 ALA A 469 2.495 19.067 14.674 1.00 0.00 H new TER 1122 ALA A 469 HETATM 1123 ZN ZN A 470 -1.655 12.723 3.001 1.00 0.00 ZN