USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1029 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 514 ASN : amide:sc= -3.53! K(o=-6.3!,f=1.7) USER MOD Set 1.2: A 518 CYS SG : rot 180:sc= -2.73! USER MOD Set 2.1: A 474 THR OG1 : rot 4:sc= -0.845 USER MOD Set 2.2: A 510 TYR OH : rot 49:sc= -1.46 USER MOD Set 3.1: A 494 HIS : no HD1:sc= -5.68! C(o=-8.4!,f=-9.9!) USER MOD Set 3.2: A 532 TYR OH : rot 139:sc= -2.68! USER MOD Single : A 437 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 438 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.3) USER MOD Single : A 439 HIS : no HD1:sc= -0.0363 X(o=-0.036,f=-0.0054) USER MOD Single : A 440 HIS : no HD1:sc= -0.0236 X(o=-0.024,f=-0.19) USER MOD Single : A 441 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.14) USER MOD Single : A 442 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-3.4!) USER MOD Single : A 443 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.13) USER MOD Single : A 444 SER OG : rot 56:sc= 1.12 USER MOD Single : A 445 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 447 THR OG1 : rot 68:sc= 0.533 USER MOD Single : A 450 GLN : amide:sc= -0.0756 X(o=-0.076,f=0) USER MOD Single : A 453 SER OG : rot -160:sc= -0.167 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 SER OG : rot 97:sc= -6.42! USER MOD Single : A 462 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.9!) USER MOD Single : A 479 SER OG : rot 169:sc= 0.012 USER MOD Single : A 483 TYR OH : rot 180:sc= 0 USER MOD Single : A 491 THR OG1 : rot 180:sc= 0 USER MOD Single : A 493 CYS SG : rot 21:sc= -0.965 USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 499 THR OG1 : rot -179:sc= -2.19! USER MOD Single : A 504 GLN : amide:sc= -0.62 K(o=-0.62,f=0) USER MOD Single : A 508 ASN : amide:sc= -3.5! K(o=-3.5!,f=-1.7) USER MOD Single : A 511 THR OG1 : rot 180:sc= 0 USER MOD Single : A 515 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 517 HIS : no HE2:sc= -9.83! C(o=-9.8!,f=-13!) USER MOD Single : A 520 LYS NZ :NH3+ -108:sc= -1.33! (180deg=-2.2!) USER MOD Single : A 525 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.16) USER MOD Single : A 530 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 534 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 GLN : amide:sc= -0.788 K(o=-0.79,f=-1.8) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -0.667 K(o=-0.67,f=-0.058) USER MOD Single : A 546 GLN : amide:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 550 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 551 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 554 THR OG1 : rot 180:sc= 0 USER MOD Single : A 556 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0113) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 437 117.900 -24.961 -16.847 1.00 0.00 N ATOM 2 CA MET A 437 117.877 -25.369 -15.417 1.00 0.00 C ATOM 3 C MET A 437 119.265 -25.263 -14.791 1.00 0.00 C ATOM 4 O MET A 437 120.265 -25.621 -15.412 1.00 0.00 O ATOM 5 CB MET A 437 117.370 -26.810 -15.330 1.00 0.00 C ATOM 6 CG MET A 437 118.415 -27.846 -15.708 1.00 0.00 C ATOM 7 SD MET A 437 117.686 -29.414 -16.215 1.00 0.00 S ATOM 8 CE MET A 437 118.490 -29.666 -17.795 1.00 0.00 C ATOM 0 HA MET A 437 117.215 -24.702 -14.865 1.00 0.00 H new ATOM 0 HB2 MET A 437 117.028 -27.005 -14.314 1.00 0.00 H new ATOM 0 HB3 MET A 437 116.506 -26.922 -15.984 1.00 0.00 H new ATOM 0 HG2 MET A 437 119.030 -27.457 -16.519 1.00 0.00 H new ATOM 0 HG3 MET A 437 119.077 -28.015 -14.859 1.00 0.00 H new ATOM 0 HE1 MET A 437 118.141 -30.600 -18.236 1.00 0.00 H new ATOM 0 HE2 MET A 437 118.250 -28.838 -18.462 1.00 0.00 H new ATOM 0 HE3 MET A 437 119.569 -29.714 -17.650 1.00 0.00 H new ATOM 20 N HIS A 438 119.316 -24.771 -13.557 1.00 0.00 N ATOM 21 CA HIS A 438 120.581 -24.620 -12.846 1.00 0.00 C ATOM 22 C HIS A 438 120.395 -23.800 -11.572 1.00 0.00 C ATOM 23 O HIS A 438 120.280 -24.354 -10.479 1.00 0.00 O ATOM 24 CB HIS A 438 121.624 -23.955 -13.747 1.00 0.00 C ATOM 25 CG HIS A 438 122.644 -24.909 -14.286 1.00 0.00 C ATOM 26 ND1 HIS A 438 123.208 -24.780 -15.539 1.00 0.00 N ATOM 27 CD2 HIS A 438 123.206 -26.012 -13.736 1.00 0.00 C ATOM 28 CE1 HIS A 438 124.070 -25.763 -15.736 1.00 0.00 C ATOM 29 NE2 HIS A 438 124.087 -26.522 -14.657 1.00 0.00 N ATOM 0 H HIS A 438 118.497 -24.470 -13.029 1.00 0.00 H new ATOM 0 HA HIS A 438 120.933 -25.614 -12.570 1.00 0.00 H new ATOM 0 HB2 HIS A 438 121.116 -23.470 -14.580 1.00 0.00 H new ATOM 0 HB3 HIS A 438 122.132 -23.172 -13.184 1.00 0.00 H new ATOM 0 HD2 HIS A 438 122.999 -26.415 -12.756 1.00 0.00 H new ATOM 0 HE1 HIS A 438 124.659 -25.918 -16.628 1.00 0.00 H new ATOM 0 HE2 HIS A 438 124.662 -27.354 -14.528 1.00 0.00 H new ATOM 38 N HIS A 439 120.366 -22.480 -11.721 1.00 0.00 N ATOM 39 CA HIS A 439 120.194 -21.585 -10.581 1.00 0.00 C ATOM 40 C HIS A 439 121.421 -21.617 -9.675 1.00 0.00 C ATOM 41 O HIS A 439 121.307 -21.807 -8.465 1.00 0.00 O ATOM 42 CB HIS A 439 118.947 -21.975 -9.785 1.00 0.00 C ATOM 43 CG HIS A 439 118.368 -20.845 -8.989 1.00 0.00 C ATOM 44 ND1 HIS A 439 118.079 -20.942 -7.644 1.00 0.00 N ATOM 45 CD2 HIS A 439 118.023 -19.588 -9.356 1.00 0.00 C ATOM 46 CE1 HIS A 439 117.580 -19.794 -7.218 1.00 0.00 C ATOM 47 NE2 HIS A 439 117.537 -18.957 -8.237 1.00 0.00 N ATOM 0 H HIS A 439 120.459 -22.006 -12.619 1.00 0.00 H new ATOM 0 HA HIS A 439 120.072 -20.571 -10.961 1.00 0.00 H new ATOM 0 HB2 HIS A 439 118.189 -22.350 -10.473 1.00 0.00 H new ATOM 0 HB3 HIS A 439 119.198 -22.793 -9.110 1.00 0.00 H new ATOM 0 HD2 HIS A 439 118.113 -19.161 -10.344 1.00 0.00 H new ATOM 0 HE1 HIS A 439 117.262 -19.578 -6.209 1.00 0.00 H new ATOM 0 HE2 HIS A 439 117.197 -17.996 -8.200 1.00 0.00 H new ATOM 56 N HIS A 440 122.594 -21.433 -10.272 1.00 0.00 N ATOM 57 CA HIS A 440 123.846 -21.441 -9.522 1.00 0.00 C ATOM 58 C HIS A 440 124.939 -20.700 -10.284 1.00 0.00 C ATOM 59 O HIS A 440 126.063 -21.186 -10.406 1.00 0.00 O ATOM 60 CB HIS A 440 124.288 -22.880 -9.247 1.00 0.00 C ATOM 61 CG HIS A 440 125.178 -23.014 -8.051 1.00 0.00 C ATOM 62 ND1 HIS A 440 124.830 -22.554 -6.797 1.00 0.00 N ATOM 63 CD2 HIS A 440 126.409 -23.563 -7.919 1.00 0.00 C ATOM 64 CE1 HIS A 440 125.809 -22.813 -5.948 1.00 0.00 C ATOM 65 NE2 HIS A 440 126.777 -23.425 -6.604 1.00 0.00 N ATOM 0 H HIS A 440 122.704 -21.276 -11.274 1.00 0.00 H new ATOM 0 HA HIS A 440 123.678 -20.931 -8.574 1.00 0.00 H new ATOM 0 HB2 HIS A 440 123.404 -23.502 -9.104 1.00 0.00 H new ATOM 0 HB3 HIS A 440 124.810 -23.265 -10.123 1.00 0.00 H new ATOM 0 HD2 HIS A 440 126.992 -24.024 -8.703 1.00 0.00 H new ATOM 0 HE1 HIS A 440 125.816 -22.566 -4.897 1.00 0.00 H new ATOM 0 HE2 HIS A 440 127.657 -23.744 -6.199 1.00 0.00 H new ATOM 74 N HIS A 441 124.601 -19.521 -10.800 1.00 0.00 N ATOM 75 CA HIS A 441 125.556 -18.717 -11.553 1.00 0.00 C ATOM 76 C HIS A 441 124.968 -17.354 -11.904 1.00 0.00 C ATOM 77 O HIS A 441 123.844 -17.032 -11.518 1.00 0.00 O ATOM 78 CB HIS A 441 125.968 -19.450 -12.830 1.00 0.00 C ATOM 79 CG HIS A 441 127.423 -19.320 -13.153 1.00 0.00 C ATOM 80 ND1 HIS A 441 127.906 -19.285 -14.445 1.00 0.00 N ATOM 81 CD2 HIS A 441 128.507 -19.220 -12.346 1.00 0.00 C ATOM 82 CE1 HIS A 441 129.222 -19.171 -14.418 1.00 0.00 C ATOM 83 NE2 HIS A 441 129.610 -19.128 -13.157 1.00 0.00 N ATOM 0 H HIS A 441 123.675 -19.103 -10.710 1.00 0.00 H new ATOM 0 HA HIS A 441 126.435 -18.560 -10.927 1.00 0.00 H new ATOM 0 HB2 HIS A 441 125.720 -20.507 -12.728 1.00 0.00 H new ATOM 0 HB3 HIS A 441 125.383 -19.064 -13.665 1.00 0.00 H new ATOM 0 HD2 HIS A 441 128.503 -19.214 -11.266 1.00 0.00 H new ATOM 0 HE1 HIS A 441 129.870 -19.121 -15.281 1.00 0.00 H new ATOM 0 HE2 HIS A 441 130.575 -19.040 -12.837 1.00 0.00 H new ATOM 92 N HIS A 442 125.737 -16.559 -12.641 1.00 0.00 N ATOM 93 CA HIS A 442 125.295 -15.231 -13.051 1.00 0.00 C ATOM 94 C HIS A 442 125.253 -15.124 -14.572 1.00 0.00 C ATOM 95 O HIS A 442 126.281 -15.226 -15.239 1.00 0.00 O ATOM 96 CB HIS A 442 126.226 -14.160 -12.479 1.00 0.00 C ATOM 97 CG HIS A 442 126.326 -14.188 -10.986 1.00 0.00 C ATOM 98 ND1 HIS A 442 126.527 -15.348 -10.266 1.00 0.00 N ATOM 99 CD2 HIS A 442 126.255 -13.189 -10.074 1.00 0.00 C ATOM 100 CE1 HIS A 442 126.574 -15.061 -8.977 1.00 0.00 C ATOM 101 NE2 HIS A 442 126.413 -13.758 -8.834 1.00 0.00 N ATOM 0 H HIS A 442 126.670 -16.812 -12.967 1.00 0.00 H new ATOM 0 HA HIS A 442 124.289 -15.071 -12.662 1.00 0.00 H new ATOM 0 HB2 HIS A 442 127.221 -14.291 -12.904 1.00 0.00 H new ATOM 0 HB3 HIS A 442 125.872 -13.178 -12.793 1.00 0.00 H new ATOM 0 HD2 HIS A 442 126.103 -12.140 -10.283 1.00 0.00 H new ATOM 0 HE1 HIS A 442 126.719 -15.771 -8.176 1.00 0.00 H new ATOM 0 HE2 HIS A 442 126.407 -13.256 -7.946 1.00 0.00 H new ATOM 110 N HIS A 443 124.057 -14.920 -15.113 1.00 0.00 N ATOM 111 CA HIS A 443 123.885 -14.801 -16.557 1.00 0.00 C ATOM 112 C HIS A 443 122.696 -13.909 -16.894 1.00 0.00 C ATOM 113 O HIS A 443 122.780 -13.053 -17.774 1.00 0.00 O ATOM 114 CB HIS A 443 123.696 -16.184 -17.183 1.00 0.00 C ATOM 115 CG HIS A 443 124.966 -16.783 -17.702 1.00 0.00 C ATOM 116 ND1 HIS A 443 125.140 -18.139 -17.878 1.00 0.00 N ATOM 117 CD2 HIS A 443 126.129 -16.203 -18.085 1.00 0.00 C ATOM 118 CE1 HIS A 443 126.355 -18.369 -18.344 1.00 0.00 C ATOM 119 NE2 HIS A 443 126.974 -17.211 -18.479 1.00 0.00 N ATOM 0 H HIS A 443 123.194 -14.834 -14.576 1.00 0.00 H new ATOM 0 HA HIS A 443 124.784 -14.343 -16.968 1.00 0.00 H new ATOM 0 HB2 HIS A 443 123.264 -16.855 -16.440 1.00 0.00 H new ATOM 0 HB3 HIS A 443 122.978 -16.109 -18.000 1.00 0.00 H new ATOM 0 HD2 HIS A 443 126.350 -15.146 -18.081 1.00 0.00 H new ATOM 0 HE1 HIS A 443 126.771 -19.339 -18.575 1.00 0.00 H new ATOM 0 HE2 HIS A 443 127.927 -17.085 -18.821 1.00 0.00 H new ATOM 128 N SER A 444 121.587 -14.115 -16.191 1.00 0.00 N ATOM 129 CA SER A 444 120.383 -13.327 -16.420 1.00 0.00 C ATOM 130 C SER A 444 120.010 -12.528 -15.174 1.00 0.00 C ATOM 131 O SER A 444 119.118 -12.917 -14.419 1.00 0.00 O ATOM 132 CB SER A 444 119.222 -14.237 -16.826 1.00 0.00 C ATOM 133 OG SER A 444 118.857 -15.102 -15.766 1.00 0.00 O ATOM 0 H SER A 444 121.498 -14.820 -15.459 1.00 0.00 H new ATOM 0 HA SER A 444 120.585 -12.627 -17.230 1.00 0.00 H new ATOM 0 HB2 SER A 444 118.364 -13.630 -17.116 1.00 0.00 H new ATOM 0 HB3 SER A 444 119.505 -14.826 -17.699 1.00 0.00 H new ATOM 0 HG SER A 444 118.646 -14.572 -14.969 1.00 0.00 H new ATOM 139 N ASN A 445 120.698 -11.410 -14.968 1.00 0.00 N ATOM 140 CA ASN A 445 120.441 -10.554 -13.814 1.00 0.00 C ATOM 141 C ASN A 445 119.719 -9.279 -14.239 1.00 0.00 C ATOM 142 O ASN A 445 120.267 -8.182 -14.139 1.00 0.00 O ATOM 143 CB ASN A 445 121.753 -10.200 -13.112 1.00 0.00 C ATOM 144 CG ASN A 445 121.972 -11.012 -11.850 1.00 0.00 C ATOM 145 OD1 ASN A 445 121.274 -10.832 -10.853 1.00 0.00 O ATOM 146 ND2 ASN A 445 122.948 -11.911 -11.888 1.00 0.00 N ATOM 0 H ASN A 445 121.438 -11.075 -15.585 1.00 0.00 H new ATOM 0 HA ASN A 445 119.803 -11.101 -13.120 1.00 0.00 H new ATOM 0 HB2 ASN A 445 122.585 -10.367 -13.797 1.00 0.00 H new ATOM 0 HB3 ASN A 445 121.753 -9.139 -12.863 1.00 0.00 H new ATOM 0 HD21 ASN A 445 123.144 -12.486 -11.069 1.00 0.00 H new ATOM 0 HD22 ASN A 445 123.502 -12.027 -12.737 1.00 0.00 H new ATOM 153 N ALA A 446 118.488 -9.431 -14.718 1.00 0.00 N ATOM 154 CA ALA A 446 117.696 -8.292 -15.161 1.00 0.00 C ATOM 155 C ALA A 446 116.356 -8.236 -14.433 1.00 0.00 C ATOM 156 O ALA A 446 115.312 -8.023 -15.050 1.00 0.00 O ATOM 157 CB ALA A 446 117.475 -8.340 -16.666 1.00 0.00 C ATOM 0 H ALA A 446 118.019 -10.332 -14.809 1.00 0.00 H new ATOM 0 HA ALA A 446 118.254 -7.388 -14.919 1.00 0.00 H new ATOM 0 HB1 ALA A 446 116.881 -7.480 -16.974 1.00 0.00 H new ATOM 0 HB2 ALA A 446 118.438 -8.318 -17.176 1.00 0.00 H new ATOM 0 HB3 ALA A 446 116.947 -9.257 -16.927 1.00 0.00 H new ATOM 163 N THR A 447 116.393 -8.429 -13.118 1.00 0.00 N ATOM 164 CA THR A 447 115.181 -8.398 -12.310 1.00 0.00 C ATOM 165 C THR A 447 115.152 -7.170 -11.406 1.00 0.00 C ATOM 166 O THR A 447 114.905 -7.275 -10.205 1.00 0.00 O ATOM 167 CB THR A 447 115.054 -9.663 -11.438 1.00 0.00 C ATOM 168 OG1 THR A 447 116.027 -9.673 -10.387 1.00 0.00 O ATOM 169 CG2 THR A 447 115.237 -10.920 -12.276 1.00 0.00 C ATOM 0 H THR A 447 117.248 -8.608 -12.591 1.00 0.00 H new ATOM 0 HA THR A 447 114.341 -8.356 -13.004 1.00 0.00 H new ATOM 0 HB THR A 447 114.054 -9.649 -11.004 1.00 0.00 H new ATOM 0 HG1 THR A 447 115.822 -8.962 -9.744 1.00 0.00 H new ATOM 0 HG21 THR A 447 115.143 -11.799 -11.639 1.00 0.00 H new ATOM 0 HG22 THR A 447 114.474 -10.953 -13.054 1.00 0.00 H new ATOM 0 HG23 THR A 447 116.225 -10.910 -12.736 1.00 0.00 H new ATOM 177 N GLY A 448 115.405 -6.004 -11.992 1.00 0.00 N ATOM 178 CA GLY A 448 115.400 -4.772 -11.225 1.00 0.00 C ATOM 179 C GLY A 448 116.316 -4.835 -10.018 1.00 0.00 C ATOM 180 O GLY A 448 116.002 -5.498 -9.029 1.00 0.00 O ATOM 0 H GLY A 448 115.613 -5.890 -12.984 1.00 0.00 H new ATOM 0 HA2 GLY A 448 115.707 -3.947 -11.867 1.00 0.00 H new ATOM 0 HA3 GLY A 448 114.384 -4.558 -10.895 1.00 0.00 H new ATOM 184 N PRO A 449 117.465 -4.146 -10.073 1.00 0.00 N ATOM 185 CA PRO A 449 118.435 -4.127 -8.972 1.00 0.00 C ATOM 186 C PRO A 449 117.921 -3.365 -7.753 1.00 0.00 C ATOM 187 O PRO A 449 117.814 -2.139 -7.773 1.00 0.00 O ATOM 188 CB PRO A 449 119.645 -3.409 -9.577 1.00 0.00 C ATOM 189 CG PRO A 449 119.078 -2.564 -10.664 1.00 0.00 C ATOM 190 CD PRO A 449 117.911 -3.333 -11.219 1.00 0.00 C ATOM 0 HA PRO A 449 118.653 -5.131 -8.607 1.00 0.00 H new ATOM 0 HB2 PRO A 449 120.159 -2.803 -8.831 1.00 0.00 H new ATOM 0 HB3 PRO A 449 120.373 -4.120 -9.967 1.00 0.00 H new ATOM 0 HG2 PRO A 449 118.760 -1.595 -10.279 1.00 0.00 H new ATOM 0 HG3 PRO A 449 119.822 -2.371 -11.437 1.00 0.00 H new ATOM 0 HD2 PRO A 449 117.122 -2.668 -11.572 1.00 0.00 H new ATOM 0 HD3 PRO A 449 118.205 -3.956 -12.064 1.00 0.00 H new ATOM 198 N GLN A 450 117.610 -4.102 -6.691 1.00 0.00 N ATOM 199 CA GLN A 450 117.113 -3.503 -5.456 1.00 0.00 C ATOM 200 C GLN A 450 116.212 -2.305 -5.742 1.00 0.00 C ATOM 201 O GLN A 450 116.632 -1.155 -5.601 1.00 0.00 O ATOM 202 CB GLN A 450 118.283 -3.070 -4.571 1.00 0.00 C ATOM 203 CG GLN A 450 119.026 -4.231 -3.933 1.00 0.00 C ATOM 204 CD GLN A 450 119.111 -4.110 -2.423 1.00 0.00 C ATOM 205 OE1 GLN A 450 120.197 -4.141 -1.846 1.00 0.00 O ATOM 206 NE2 GLN A 450 117.959 -3.970 -1.776 1.00 0.00 N ATOM 0 H GLN A 450 117.694 -5.118 -6.661 1.00 0.00 H new ATOM 0 HA GLN A 450 116.523 -4.257 -4.935 1.00 0.00 H new ATOM 0 HB2 GLN A 450 118.983 -2.486 -5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 450 117.910 -2.413 -3.785 1.00 0.00 H new ATOM 0 HG2 GLN A 450 118.525 -5.164 -4.191 1.00 0.00 H new ATOM 0 HG3 GLN A 450 120.033 -4.285 -4.347 1.00 0.00 H new ATOM 0 HE21 GLN A 450 117.081 -3.949 -2.296 1.00 0.00 H new ATOM 0 HE22 GLN A 450 117.952 -3.883 -0.760 1.00 0.00 H new ATOM 215 N PHE A 451 114.974 -2.579 -6.138 1.00 0.00 N ATOM 216 CA PHE A 451 114.015 -1.522 -6.435 1.00 0.00 C ATOM 217 C PHE A 451 113.218 -1.141 -5.190 1.00 0.00 C ATOM 218 O PHE A 451 111.988 -1.119 -5.221 1.00 0.00 O ATOM 219 CB PHE A 451 113.064 -1.960 -7.551 1.00 0.00 C ATOM 220 CG PHE A 451 112.080 -3.019 -7.134 1.00 0.00 C ATOM 221 CD1 PHE A 451 110.999 -3.333 -7.942 1.00 0.00 C ATOM 222 CD2 PHE A 451 112.237 -3.704 -5.938 1.00 0.00 C ATOM 223 CE1 PHE A 451 110.093 -4.308 -7.567 1.00 0.00 C ATOM 224 CE2 PHE A 451 111.335 -4.679 -5.558 1.00 0.00 C ATOM 225 CZ PHE A 451 110.261 -4.982 -6.374 1.00 0.00 C ATOM 0 H PHE A 451 114.611 -3.524 -6.261 1.00 0.00 H new ATOM 0 HA PHE A 451 114.573 -0.647 -6.768 1.00 0.00 H new ATOM 0 HB2 PHE A 451 112.515 -1.089 -7.910 1.00 0.00 H new ATOM 0 HB3 PHE A 451 113.652 -2.334 -8.389 1.00 0.00 H new ATOM 0 HD1 PHE A 451 110.862 -2.809 -8.877 1.00 0.00 H new ATOM 0 HD2 PHE A 451 113.074 -3.472 -5.296 1.00 0.00 H new ATOM 0 HE1 PHE A 451 109.255 -4.542 -8.207 1.00 0.00 H new ATOM 0 HE2 PHE A 451 111.469 -5.204 -4.624 1.00 0.00 H new ATOM 0 HZ PHE A 451 109.555 -5.744 -6.079 1.00 0.00 H new ATOM 235 N VAL A 452 113.936 -0.841 -4.104 1.00 0.00 N ATOM 236 CA VAL A 452 113.316 -0.459 -2.832 1.00 0.00 C ATOM 237 C VAL A 452 111.887 -0.978 -2.722 1.00 0.00 C ATOM 238 O VAL A 452 110.930 -0.253 -2.990 1.00 0.00 O ATOM 239 CB VAL A 452 113.302 1.071 -2.658 1.00 0.00 C ATOM 240 CG1 VAL A 452 112.731 1.743 -3.897 1.00 0.00 C ATOM 241 CG2 VAL A 452 112.511 1.462 -1.417 1.00 0.00 C ATOM 0 H VAL A 452 114.956 -0.856 -4.081 1.00 0.00 H new ATOM 0 HA VAL A 452 113.920 -0.911 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 452 114.329 1.413 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 452 112.729 2.824 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 452 113.344 1.491 -4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 452 111.711 1.396 -4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 452 112.513 2.547 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 452 111.484 1.108 -1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 452 112.969 1.011 -0.537 1.00 0.00 H new ATOM 251 N SER A 453 111.748 -2.246 -2.335 1.00 0.00 N ATOM 252 CA SER A 453 110.431 -2.867 -2.202 1.00 0.00 C ATOM 253 C SER A 453 109.649 -2.361 -0.980 1.00 0.00 C ATOM 254 O SER A 453 108.675 -2.994 -0.575 1.00 0.00 O ATOM 255 CB SER A 453 110.579 -4.387 -2.120 1.00 0.00 C ATOM 256 OG SER A 453 110.429 -4.844 -0.787 1.00 0.00 O ATOM 0 H SER A 453 112.529 -2.862 -2.109 1.00 0.00 H new ATOM 0 HA SER A 453 109.860 -2.587 -3.087 1.00 0.00 H new ATOM 0 HB2 SER A 453 109.833 -4.863 -2.757 1.00 0.00 H new ATOM 0 HB3 SER A 453 111.557 -4.681 -2.500 1.00 0.00 H new ATOM 0 HG SER A 453 110.827 -5.735 -0.700 1.00 0.00 H new ATOM 262 N GLY A 454 110.052 -1.221 -0.411 1.00 0.00 N ATOM 263 CA GLY A 454 109.352 -0.663 0.740 1.00 0.00 C ATOM 264 C GLY A 454 108.704 -1.710 1.634 1.00 0.00 C ATOM 265 O GLY A 454 107.668 -1.447 2.244 1.00 0.00 O ATOM 0 H GLY A 454 110.852 -0.674 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 454 110.056 -0.079 1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 454 108.584 0.025 0.387 1.00 0.00 H new ATOM 269 N VAL A 455 109.304 -2.894 1.705 1.00 0.00 N ATOM 270 CA VAL A 455 108.773 -3.982 2.522 1.00 0.00 C ATOM 271 C VAL A 455 107.248 -3.944 2.573 1.00 0.00 C ATOM 272 O VAL A 455 106.664 -3.333 3.468 1.00 0.00 O ATOM 273 CB VAL A 455 109.324 -3.934 3.960 1.00 0.00 C ATOM 274 CG1 VAL A 455 109.524 -5.342 4.502 1.00 0.00 C ATOM 275 CG2 VAL A 455 110.625 -3.147 4.010 1.00 0.00 C ATOM 0 H VAL A 455 110.162 -3.126 1.205 1.00 0.00 H new ATOM 0 HA VAL A 455 109.095 -4.910 2.050 1.00 0.00 H new ATOM 0 HB VAL A 455 108.595 -3.425 4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 455 109.914 -5.289 5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 455 108.570 -5.869 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 455 110.232 -5.878 3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 455 110.998 -3.125 5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 455 111.363 -3.624 3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 455 110.447 -2.128 3.667 1.00 0.00 H new ATOM 285 N ILE A 456 106.608 -4.600 1.609 1.00 0.00 N ATOM 286 CA ILE A 456 105.151 -4.638 1.549 1.00 0.00 C ATOM 287 C ILE A 456 104.577 -5.515 2.658 1.00 0.00 C ATOM 288 O ILE A 456 104.922 -6.692 2.774 1.00 0.00 O ATOM 289 CB ILE A 456 104.653 -5.162 0.188 1.00 0.00 C ATOM 290 CG1 ILE A 456 105.376 -4.450 -0.956 1.00 0.00 C ATOM 291 CG2 ILE A 456 103.148 -4.975 0.067 1.00 0.00 C ATOM 292 CD1 ILE A 456 105.135 -2.956 -0.989 1.00 0.00 C ATOM 0 H ILE A 456 107.075 -5.112 0.860 1.00 0.00 H new ATOM 0 HA ILE A 456 104.805 -3.613 1.682 1.00 0.00 H new ATOM 0 HB ILE A 456 104.875 -6.227 0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 456 106.447 -4.635 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 456 105.054 -4.883 -1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 456 102.811 -5.350 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 456 102.648 -5.525 0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 456 102.905 -3.916 0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 456 105.679 -2.518 -1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 456 104.069 -2.762 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 456 105.483 -2.511 -0.057 1.00 0.00 H new ATOM 304 N VAL A 457 103.683 -4.938 3.454 1.00 0.00 N ATOM 305 CA VAL A 457 103.040 -5.668 4.541 1.00 0.00 C ATOM 306 C VAL A 457 101.552 -5.852 4.262 1.00 0.00 C ATOM 307 O VAL A 457 100.750 -4.960 4.537 1.00 0.00 O ATOM 308 CB VAL A 457 103.212 -4.945 5.888 1.00 0.00 C ATOM 309 CG1 VAL A 457 102.395 -5.635 6.970 1.00 0.00 C ATOM 310 CG2 VAL A 457 104.681 -4.884 6.277 1.00 0.00 C ATOM 0 H VAL A 457 103.387 -3.966 3.367 1.00 0.00 H new ATOM 0 HA VAL A 457 103.525 -6.642 4.601 1.00 0.00 H new ATOM 0 HB VAL A 457 102.846 -3.924 5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 457 102.528 -5.111 7.916 1.00 0.00 H new ATOM 0 HG12 VAL A 457 101.341 -5.623 6.693 1.00 0.00 H new ATOM 0 HG13 VAL A 457 102.730 -6.667 7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 457 104.783 -4.369 7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 457 105.076 -5.896 6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 457 105.238 -4.343 5.512 1.00 0.00 H new ATOM 320 N LYS A 458 101.183 -7.004 3.712 1.00 0.00 N ATOM 321 CA LYS A 458 99.783 -7.276 3.400 1.00 0.00 C ATOM 322 C LYS A 458 98.975 -7.540 4.665 1.00 0.00 C ATOM 323 O LYS A 458 99.191 -8.533 5.359 1.00 0.00 O ATOM 324 CB LYS A 458 99.654 -8.469 2.451 1.00 0.00 C ATOM 325 CG LYS A 458 98.221 -8.731 2.017 1.00 0.00 C ATOM 326 CD LYS A 458 98.100 -10.015 1.213 1.00 0.00 C ATOM 327 CE LYS A 458 96.729 -10.137 0.565 1.00 0.00 C ATOM 328 NZ LYS A 458 96.196 -11.525 0.645 1.00 0.00 N ATOM 0 H LYS A 458 101.827 -7.759 3.474 1.00 0.00 H new ATOM 0 HA LYS A 458 99.384 -6.388 2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 458 100.268 -8.292 1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 458 100.048 -9.360 2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 458 97.580 -8.791 2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 458 97.863 -7.893 1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 458 98.871 -10.038 0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 458 98.274 -10.872 1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 458 96.035 -9.453 1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 458 96.793 -9.833 -0.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 95.261 -11.564 0.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 96.845 -12.175 0.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 96.110 -11.807 1.642 1.00 0.00 H new ATOM 342 N ILE A 459 98.026 -6.653 4.944 1.00 0.00 N ATOM 343 CA ILE A 459 97.163 -6.796 6.109 1.00 0.00 C ATOM 344 C ILE A 459 95.728 -7.086 5.688 1.00 0.00 C ATOM 345 O ILE A 459 95.128 -6.323 4.931 1.00 0.00 O ATOM 346 CB ILE A 459 97.176 -5.539 6.998 1.00 0.00 C ATOM 347 CG1 ILE A 459 98.591 -5.264 7.510 1.00 0.00 C ATOM 348 CG2 ILE A 459 96.206 -5.706 8.162 1.00 0.00 C ATOM 349 CD1 ILE A 459 98.663 -4.126 8.505 1.00 0.00 C ATOM 0 H ILE A 459 97.835 -5.826 4.378 1.00 0.00 H new ATOM 0 HA ILE A 459 97.557 -7.633 6.685 1.00 0.00 H new ATOM 0 HB ILE A 459 96.855 -4.685 6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 459 98.982 -6.168 7.976 1.00 0.00 H new ATOM 0 HG13 ILE A 459 99.238 -5.036 6.662 1.00 0.00 H new ATOM 0 HG21 ILE A 459 96.225 -4.810 8.783 1.00 0.00 H new ATOM 0 HG22 ILE A 459 95.198 -5.859 7.777 1.00 0.00 H new ATOM 0 HG23 ILE A 459 96.501 -6.568 8.760 1.00 0.00 H new ATOM 0 HD11 ILE A 459 99.696 -3.987 8.825 1.00 0.00 H new ATOM 0 HD12 ILE A 459 98.302 -3.210 8.037 1.00 0.00 H new ATOM 0 HD13 ILE A 459 98.043 -4.360 9.371 1.00 0.00 H new ATOM 361 N ILE A 460 95.179 -8.179 6.196 1.00 0.00 N ATOM 362 CA ILE A 460 93.805 -8.553 5.884 1.00 0.00 C ATOM 363 C ILE A 460 93.046 -8.898 7.161 1.00 0.00 C ATOM 364 O ILE A 460 93.551 -9.622 8.019 1.00 0.00 O ATOM 365 CB ILE A 460 93.740 -9.735 4.892 1.00 0.00 C ATOM 366 CG1 ILE A 460 92.318 -9.898 4.345 1.00 0.00 C ATOM 367 CG2 ILE A 460 94.216 -11.019 5.552 1.00 0.00 C ATOM 368 CD1 ILE A 460 91.474 -10.894 5.113 1.00 0.00 C ATOM 0 H ILE A 460 95.661 -8.822 6.824 1.00 0.00 H new ATOM 0 HA ILE A 460 93.334 -7.694 5.406 1.00 0.00 H new ATOM 0 HB ILE A 460 94.405 -9.519 4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 460 91.821 -8.928 4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 460 92.374 -10.212 3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 460 94.162 -11.838 4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 460 95.246 -10.896 5.886 1.00 0.00 H new ATOM 0 HG23 ILE A 460 93.582 -11.244 6.409 1.00 0.00 H new ATOM 0 HD11 ILE A 460 90.482 -10.953 4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 460 91.947 -11.875 5.077 1.00 0.00 H new ATOM 0 HD13 ILE A 460 91.385 -10.572 6.150 1.00 0.00 H new ATOM 380 N SER A 461 91.841 -8.360 7.296 1.00 0.00 N ATOM 381 CA SER A 461 91.032 -8.606 8.482 1.00 0.00 C ATOM 382 C SER A 461 89.754 -9.357 8.136 1.00 0.00 C ATOM 383 O SER A 461 89.560 -9.794 7.002 1.00 0.00 O ATOM 384 CB SER A 461 90.680 -7.287 9.170 1.00 0.00 C ATOM 385 OG SER A 461 89.963 -6.433 8.296 1.00 0.00 O ATOM 0 H SER A 461 91.404 -7.753 6.602 1.00 0.00 H new ATOM 0 HA SER A 461 91.622 -9.223 9.160 1.00 0.00 H new ATOM 0 HB2 SER A 461 90.084 -7.485 10.061 1.00 0.00 H new ATOM 0 HB3 SER A 461 91.592 -6.791 9.501 1.00 0.00 H new ATOM 0 HG SER A 461 89.002 -6.522 8.467 1.00 0.00 H new ATOM 391 N THR A 462 88.886 -9.496 9.127 1.00 0.00 N ATOM 392 CA THR A 462 87.617 -10.189 8.944 1.00 0.00 C ATOM 393 C THR A 462 86.451 -9.210 9.018 1.00 0.00 C ATOM 394 O THR A 462 85.330 -9.532 8.623 1.00 0.00 O ATOM 395 CB THR A 462 87.421 -11.288 10.005 1.00 0.00 C ATOM 396 OG1 THR A 462 86.904 -10.750 11.229 1.00 0.00 O ATOM 397 CG2 THR A 462 88.739 -11.986 10.303 1.00 0.00 C ATOM 0 H THR A 462 89.037 -9.137 10.070 1.00 0.00 H new ATOM 0 HA THR A 462 87.642 -10.651 7.957 1.00 0.00 H new ATOM 0 HB THR A 462 86.705 -12.001 9.597 1.00 0.00 H new ATOM 0 HG1 THR A 462 86.789 -11.472 11.881 1.00 0.00 H new ATOM 0 HG21 THR A 462 88.580 -12.759 11.055 1.00 0.00 H new ATOM 0 HG22 THR A 462 89.124 -12.441 9.391 1.00 0.00 H new ATOM 0 HG23 THR A 462 89.459 -11.259 10.677 1.00 0.00 H new ATOM 405 N GLU A 463 86.729 -8.014 9.527 1.00 0.00 N ATOM 406 CA GLU A 463 85.716 -6.975 9.662 1.00 0.00 C ATOM 407 C GLU A 463 86.101 -5.984 10.756 1.00 0.00 C ATOM 408 O GLU A 463 86.002 -4.770 10.572 1.00 0.00 O ATOM 409 CB GLU A 463 84.352 -7.593 9.978 1.00 0.00 C ATOM 410 CG GLU A 463 83.447 -7.723 8.763 1.00 0.00 C ATOM 411 CD GLU A 463 82.427 -6.605 8.675 1.00 0.00 C ATOM 412 OE1 GLU A 463 82.695 -5.512 9.216 1.00 0.00 O ATOM 413 OE2 GLU A 463 81.358 -6.822 8.066 1.00 0.00 O ATOM 0 H GLU A 463 87.655 -7.740 9.855 1.00 0.00 H new ATOM 0 HA GLU A 463 85.652 -6.442 8.713 1.00 0.00 H new ATOM 0 HB2 GLU A 463 84.502 -8.580 10.416 1.00 0.00 H new ATOM 0 HB3 GLU A 463 83.851 -6.983 10.730 1.00 0.00 H new ATOM 0 HG2 GLU A 463 84.056 -7.726 7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 463 82.928 -8.681 8.801 1.00 0.00 H new ATOM 420 N PRO A 464 86.546 -6.496 11.914 1.00 0.00 N ATOM 421 CA PRO A 464 86.948 -5.665 13.049 1.00 0.00 C ATOM 422 C PRO A 464 87.798 -4.466 12.636 1.00 0.00 C ATOM 423 O PRO A 464 87.823 -3.449 13.329 1.00 0.00 O ATOM 424 CB PRO A 464 87.759 -6.634 13.908 1.00 0.00 C ATOM 425 CG PRO A 464 87.138 -7.961 13.646 1.00 0.00 C ATOM 426 CD PRO A 464 86.687 -7.936 12.209 1.00 0.00 C ATOM 0 HA PRO A 464 86.091 -5.226 13.559 1.00 0.00 H new ATOM 0 HB2 PRO A 464 88.813 -6.626 13.631 1.00 0.00 H new ATOM 0 HB3 PRO A 464 87.705 -6.371 14.964 1.00 0.00 H new ATOM 0 HG2 PRO A 464 87.853 -8.766 13.816 1.00 0.00 H new ATOM 0 HG3 PRO A 464 86.296 -8.136 14.316 1.00 0.00 H new ATOM 0 HD2 PRO A 464 87.416 -8.410 11.552 1.00 0.00 H new ATOM 0 HD3 PRO A 464 85.744 -8.467 12.075 1.00 0.00 H new ATOM 434 N LEU A 465 88.492 -4.587 11.507 1.00 0.00 N ATOM 435 CA LEU A 465 89.336 -3.501 11.018 1.00 0.00 C ATOM 436 C LEU A 465 88.676 -2.151 11.281 1.00 0.00 C ATOM 437 O LEU A 465 87.691 -1.792 10.635 1.00 0.00 O ATOM 438 CB LEU A 465 89.616 -3.666 9.522 1.00 0.00 C ATOM 439 CG LEU A 465 91.070 -3.424 9.107 1.00 0.00 C ATOM 440 CD1 LEU A 465 91.474 -4.374 7.990 1.00 0.00 C ATOM 441 CD2 LEU A 465 91.266 -1.977 8.677 1.00 0.00 C ATOM 0 H LEU A 465 88.487 -5.420 10.918 1.00 0.00 H new ATOM 0 HA LEU A 465 90.283 -3.539 11.556 1.00 0.00 H new ATOM 0 HB2 LEU A 465 89.331 -4.675 9.223 1.00 0.00 H new ATOM 0 HB3 LEU A 465 88.976 -2.978 8.970 1.00 0.00 H new ATOM 0 HG LEU A 465 91.710 -3.618 9.967 1.00 0.00 H new ATOM 0 HD11 LEU A 465 92.510 -4.186 7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 465 91.372 -5.404 8.333 1.00 0.00 H new ATOM 0 HD13 LEU A 465 90.829 -4.214 7.126 1.00 0.00 H new ATOM 0 HD21 LEU A 465 92.305 -1.822 8.385 1.00 0.00 H new ATOM 0 HD22 LEU A 465 90.615 -1.757 7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 465 91.019 -1.314 9.506 1.00 0.00 H new ATOM 453 N PRO A 466 89.210 -1.389 12.248 1.00 0.00 N ATOM 454 CA PRO A 466 88.670 -0.074 12.615 1.00 0.00 C ATOM 455 C PRO A 466 88.742 0.933 11.473 1.00 0.00 C ATOM 456 O PRO A 466 87.792 1.678 11.231 1.00 0.00 O ATOM 457 CB PRO A 466 89.568 0.376 13.773 1.00 0.00 C ATOM 458 CG PRO A 466 90.812 -0.435 13.637 1.00 0.00 C ATOM 459 CD PRO A 466 90.379 -1.752 13.065 1.00 0.00 C ATOM 0 HA PRO A 466 87.613 -0.136 12.873 1.00 0.00 H new ATOM 0 HB2 PRO A 466 89.784 1.443 13.713 1.00 0.00 H new ATOM 0 HB3 PRO A 466 89.087 0.202 14.736 1.00 0.00 H new ATOM 0 HG2 PRO A 466 91.531 0.058 12.983 1.00 0.00 H new ATOM 0 HG3 PRO A 466 91.299 -0.569 14.603 1.00 0.00 H new ATOM 0 HD2 PRO A 466 91.165 -2.209 12.464 1.00 0.00 H new ATOM 0 HD3 PRO A 466 90.119 -2.466 13.847 1.00 0.00 H new ATOM 467 N GLY A 467 89.872 0.955 10.774 1.00 0.00 N ATOM 468 CA GLY A 467 90.041 1.879 9.670 1.00 0.00 C ATOM 469 C GLY A 467 91.494 2.251 9.449 1.00 0.00 C ATOM 470 O GLY A 467 92.384 1.717 10.110 1.00 0.00 O ATOM 0 H GLY A 467 90.673 0.349 10.953 1.00 0.00 H new ATOM 0 HA2 GLY A 467 89.640 1.432 8.760 1.00 0.00 H new ATOM 0 HA3 GLY A 467 89.462 2.782 9.863 1.00 0.00 H new ATOM 474 N ARG A 468 91.735 3.177 8.529 1.00 0.00 N ATOM 475 CA ARG A 468 93.090 3.629 8.235 1.00 0.00 C ATOM 476 C ARG A 468 93.722 4.293 9.454 1.00 0.00 C ATOM 477 O ARG A 468 94.900 4.089 9.745 1.00 0.00 O ATOM 478 CB ARG A 468 93.080 4.604 7.058 1.00 0.00 C ATOM 479 CG ARG A 468 92.589 5.995 7.424 1.00 0.00 C ATOM 480 CD ARG A 468 92.600 6.923 6.220 1.00 0.00 C ATOM 481 NE ARG A 468 91.508 7.893 6.265 1.00 0.00 N ATOM 482 CZ ARG A 468 91.553 9.020 6.969 1.00 0.00 C ATOM 483 NH1 ARG A 468 92.630 9.318 7.681 1.00 0.00 N ATOM 484 NH2 ARG A 468 90.519 9.851 6.959 1.00 0.00 N ATOM 0 H ARG A 468 91.010 3.630 7.973 1.00 0.00 H new ATOM 0 HA ARG A 468 93.686 2.756 7.971 1.00 0.00 H new ATOM 0 HB2 ARG A 468 94.088 4.679 6.651 1.00 0.00 H new ATOM 0 HB3 ARG A 468 92.447 4.200 6.268 1.00 0.00 H new ATOM 0 HG2 ARG A 468 91.578 5.931 7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 468 93.220 6.410 8.210 1.00 0.00 H new ATOM 0 HD2 ARG A 468 93.552 7.451 6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 468 92.523 6.333 5.307 1.00 0.00 H new ATOM 0 HE ARG A 468 90.665 7.695 5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 468 93.427 8.682 7.690 1.00 0.00 H new ATOM 0 HH12 ARG A 468 92.662 10.183 8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 468 89.689 9.626 6.411 1.00 0.00 H new ATOM 0 HH22 ARG A 468 90.554 10.715 7.499 1.00 0.00 H new ATOM 498 N LYS A 469 92.930 5.098 10.155 1.00 0.00 N ATOM 499 CA LYS A 469 93.407 5.809 11.335 1.00 0.00 C ATOM 500 C LYS A 469 93.859 4.843 12.425 1.00 0.00 C ATOM 501 O LYS A 469 94.896 5.049 13.057 1.00 0.00 O ATOM 502 CB LYS A 469 92.308 6.727 11.879 1.00 0.00 C ATOM 503 CG LYS A 469 91.043 5.990 12.285 1.00 0.00 C ATOM 504 CD LYS A 469 90.141 6.860 13.146 1.00 0.00 C ATOM 505 CE LYS A 469 89.764 8.149 12.434 1.00 0.00 C ATOM 506 NZ LYS A 469 89.880 9.332 13.331 1.00 0.00 N ATOM 0 H LYS A 469 91.952 5.274 9.925 1.00 0.00 H new ATOM 0 HA LYS A 469 94.267 6.409 11.036 1.00 0.00 H new ATOM 0 HB2 LYS A 469 92.694 7.270 12.741 1.00 0.00 H new ATOM 0 HB3 LYS A 469 92.058 7.469 11.121 1.00 0.00 H new ATOM 0 HG2 LYS A 469 90.502 5.675 11.393 1.00 0.00 H new ATOM 0 HG3 LYS A 469 91.308 5.086 12.833 1.00 0.00 H new ATOM 0 HD2 LYS A 469 89.237 6.307 13.402 1.00 0.00 H new ATOM 0 HD3 LYS A 469 90.647 7.095 14.082 1.00 0.00 H new ATOM 0 HE2 LYS A 469 90.409 8.287 11.566 1.00 0.00 H new ATOM 0 HE3 LYS A 469 88.742 8.073 12.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 89.614 10.191 12.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 89.246 9.213 14.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 90.861 9.419 13.665 1.00 0.00 H new ATOM 520 N GLN A 470 93.076 3.794 12.650 1.00 0.00 N ATOM 521 CA GLN A 470 93.401 2.810 13.675 1.00 0.00 C ATOM 522 C GLN A 470 94.480 1.844 13.193 1.00 0.00 C ATOM 523 O GLN A 470 95.416 1.533 13.929 1.00 0.00 O ATOM 524 CB GLN A 470 92.146 2.041 14.088 1.00 0.00 C ATOM 525 CG GLN A 470 91.362 2.722 15.200 1.00 0.00 C ATOM 526 CD GLN A 470 91.747 2.223 16.578 1.00 0.00 C ATOM 527 OE1 GLN A 470 92.631 1.379 16.720 1.00 0.00 O ATOM 528 NE2 GLN A 470 91.082 2.745 17.603 1.00 0.00 N ATOM 0 H GLN A 470 92.214 3.604 12.138 1.00 0.00 H new ATOM 0 HA GLN A 470 93.791 3.343 14.542 1.00 0.00 H new ATOM 0 HB2 GLN A 470 91.500 1.920 13.219 1.00 0.00 H new ATOM 0 HB3 GLN A 470 92.432 1.041 14.414 1.00 0.00 H new ATOM 0 HG2 GLN A 470 91.527 3.798 15.149 1.00 0.00 H new ATOM 0 HG3 GLN A 470 90.296 2.555 15.042 1.00 0.00 H new ATOM 0 HE21 GLN A 470 90.356 3.443 17.438 1.00 0.00 H new ATOM 0 HE22 GLN A 470 91.297 2.448 18.555 1.00 0.00 H new ATOM 537 N VAL A 471 94.354 1.377 11.955 1.00 0.00 N ATOM 538 CA VAL A 471 95.334 0.455 11.392 1.00 0.00 C ATOM 539 C VAL A 471 96.695 1.133 11.278 1.00 0.00 C ATOM 540 O VAL A 471 97.725 0.558 11.638 1.00 0.00 O ATOM 541 CB VAL A 471 94.898 -0.051 10.004 1.00 0.00 C ATOM 542 CG1 VAL A 471 95.880 -1.084 9.473 1.00 0.00 C ATOM 543 CG2 VAL A 471 93.491 -0.627 10.062 1.00 0.00 C ATOM 0 H VAL A 471 93.588 1.620 11.326 1.00 0.00 H new ATOM 0 HA VAL A 471 95.405 -0.399 12.065 1.00 0.00 H new ATOM 0 HB VAL A 471 94.893 0.796 9.318 1.00 0.00 H new ATOM 0 HG11 VAL A 471 95.552 -1.427 8.492 1.00 0.00 H new ATOM 0 HG12 VAL A 471 96.870 -0.635 9.388 1.00 0.00 H new ATOM 0 HG13 VAL A 471 95.923 -1.931 10.158 1.00 0.00 H new ATOM 0 HG21 VAL A 471 93.201 -0.979 9.072 1.00 0.00 H new ATOM 0 HG22 VAL A 471 93.468 -1.460 10.765 1.00 0.00 H new ATOM 0 HG23 VAL A 471 92.795 0.145 10.391 1.00 0.00 H new ATOM 553 N ARG A 472 96.688 2.372 10.792 1.00 0.00 N ATOM 554 CA ARG A 472 97.916 3.143 10.651 1.00 0.00 C ATOM 555 C ARG A 472 98.535 3.399 12.020 1.00 0.00 C ATOM 556 O ARG A 472 99.744 3.258 12.205 1.00 0.00 O ATOM 557 CB ARG A 472 97.639 4.468 9.935 1.00 0.00 C ATOM 558 CG ARG A 472 97.015 5.531 10.825 1.00 0.00 C ATOM 559 CD ARG A 472 96.791 6.828 10.063 1.00 0.00 C ATOM 560 NE ARG A 472 96.268 7.888 10.919 1.00 0.00 N ATOM 561 CZ ARG A 472 96.177 9.160 10.542 1.00 0.00 C ATOM 562 NH1 ARG A 472 96.563 9.524 9.327 1.00 0.00 N ATOM 563 NH2 ARG A 472 95.694 10.070 11.378 1.00 0.00 N ATOM 0 H ARG A 472 95.845 2.861 10.490 1.00 0.00 H new ATOM 0 HA ARG A 472 98.620 2.568 10.050 1.00 0.00 H new ATOM 0 HB2 ARG A 472 98.574 4.852 9.528 1.00 0.00 H new ATOM 0 HB3 ARG A 472 96.977 4.281 9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 472 96.065 5.168 11.217 1.00 0.00 H new ATOM 0 HG3 ARG A 472 97.663 5.717 11.682 1.00 0.00 H new ATOM 0 HD2 ARG A 472 97.732 7.153 9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 472 96.096 6.650 9.243 1.00 0.00 H new ATOM 0 HE ARG A 472 95.955 7.640 11.858 1.00 0.00 H new ATOM 0 HH11 ARG A 472 96.931 8.828 8.679 1.00 0.00 H new ATOM 0 HH12 ARG A 472 96.492 10.500 9.040 1.00 0.00 H new ATOM 0 HH21 ARG A 472 95.391 9.795 12.312 1.00 0.00 H new ATOM 0 HH22 ARG A 472 95.625 11.045 11.086 1.00 0.00 H new ATOM 577 N ASP A 473 97.690 3.770 12.978 1.00 0.00 N ATOM 578 CA ASP A 473 98.143 4.038 14.338 1.00 0.00 C ATOM 579 C ASP A 473 98.754 2.787 14.955 1.00 0.00 C ATOM 580 O ASP A 473 99.753 2.860 15.673 1.00 0.00 O ATOM 581 CB ASP A 473 96.975 4.526 15.199 1.00 0.00 C ATOM 582 CG ASP A 473 96.976 6.031 15.381 1.00 0.00 C ATOM 583 OD1 ASP A 473 95.877 6.615 15.485 1.00 0.00 O ATOM 584 OD2 ASP A 473 98.074 6.624 15.421 1.00 0.00 O ATOM 0 H ASP A 473 96.687 3.892 12.837 1.00 0.00 H new ATOM 0 HA ASP A 473 98.905 4.816 14.298 1.00 0.00 H new ATOM 0 HB2 ASP A 473 96.036 4.220 14.738 1.00 0.00 H new ATOM 0 HB3 ASP A 473 97.023 4.045 16.176 1.00 0.00 H new ATOM 589 N THR A 474 98.154 1.637 14.666 1.00 0.00 N ATOM 590 CA THR A 474 98.645 0.369 15.188 1.00 0.00 C ATOM 591 C THR A 474 100.028 0.058 14.629 1.00 0.00 C ATOM 592 O THR A 474 101.045 0.253 15.301 1.00 0.00 O ATOM 593 CB THR A 474 97.690 -0.794 14.847 1.00 0.00 C ATOM 594 OG1 THR A 474 97.202 -0.696 13.505 1.00 0.00 O ATOM 595 CG2 THR A 474 96.496 -0.814 15.787 1.00 0.00 C ATOM 0 H THR A 474 97.328 1.558 14.073 1.00 0.00 H new ATOM 0 HA THR A 474 98.700 0.469 16.272 1.00 0.00 H new ATOM 0 HB THR A 474 98.266 -1.712 14.958 1.00 0.00 H new ATOM 0 HG1 THR A 474 97.625 0.067 13.058 1.00 0.00 H new ATOM 0 HG21 THR A 474 95.840 -1.643 15.524 1.00 0.00 H new ATOM 0 HG22 THR A 474 96.843 -0.937 16.813 1.00 0.00 H new ATOM 0 HG23 THR A 474 95.948 0.124 15.699 1.00 0.00 H new ATOM 603 N LEU A 475 100.062 -0.439 13.397 1.00 0.00 N ATOM 604 CA LEU A 475 101.325 -0.784 12.762 1.00 0.00 C ATOM 605 C LEU A 475 102.372 0.296 13.016 1.00 0.00 C ATOM 606 O LEU A 475 103.534 -0.008 13.288 1.00 0.00 O ATOM 607 CB LEU A 475 101.130 -0.979 11.257 1.00 0.00 C ATOM 608 CG LEU A 475 100.304 0.104 10.562 1.00 0.00 C ATOM 609 CD1 LEU A 475 101.183 0.934 9.638 1.00 0.00 C ATOM 610 CD2 LEU A 475 99.154 -0.522 9.789 1.00 0.00 C ATOM 0 H LEU A 475 99.236 -0.610 12.824 1.00 0.00 H new ATOM 0 HA LEU A 475 101.678 -1.719 13.197 1.00 0.00 H new ATOM 0 HB2 LEU A 475 102.110 -1.026 10.783 1.00 0.00 H new ATOM 0 HB3 LEU A 475 100.649 -1.943 11.091 1.00 0.00 H new ATOM 0 HG LEU A 475 99.888 0.765 11.323 1.00 0.00 H new ATOM 0 HD11 LEU A 475 100.579 1.700 9.152 1.00 0.00 H new ATOM 0 HD12 LEU A 475 101.974 1.410 10.218 1.00 0.00 H new ATOM 0 HD13 LEU A 475 101.627 0.288 8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 475 98.575 0.261 9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 475 99.550 -1.204 9.037 1.00 0.00 H new ATOM 0 HD23 LEU A 475 98.511 -1.073 10.476 1.00 0.00 H new ATOM 622 N ALA A 476 101.957 1.558 12.935 1.00 0.00 N ATOM 623 CA ALA A 476 102.873 2.668 13.167 1.00 0.00 C ATOM 624 C ALA A 476 103.277 2.741 14.634 1.00 0.00 C ATOM 625 O ALA A 476 104.355 3.233 14.971 1.00 0.00 O ATOM 626 CB ALA A 476 102.250 3.984 12.726 1.00 0.00 C ATOM 0 H ALA A 476 101.001 1.834 12.712 1.00 0.00 H new ATOM 0 HA ALA A 476 103.769 2.492 12.571 1.00 0.00 H new ATOM 0 HB1 ALA A 476 102.952 4.798 12.909 1.00 0.00 H new ATOM 0 HB2 ALA A 476 102.017 3.938 11.662 1.00 0.00 H new ATOM 0 HB3 ALA A 476 101.335 4.160 13.291 1.00 0.00 H new ATOM 632 N ALA A 477 102.400 2.250 15.505 1.00 0.00 N ATOM 633 CA ALA A 477 102.661 2.263 16.939 1.00 0.00 C ATOM 634 C ALA A 477 103.772 1.286 17.295 1.00 0.00 C ATOM 635 O ALA A 477 104.500 1.485 18.267 1.00 0.00 O ATOM 636 CB ALA A 477 101.400 1.936 17.725 1.00 0.00 C ATOM 0 H ALA A 477 101.504 1.839 15.242 1.00 0.00 H new ATOM 0 HA ALA A 477 102.984 3.268 17.210 1.00 0.00 H new ATOM 0 HB1 ALA A 477 101.622 1.952 18.792 1.00 0.00 H new ATOM 0 HB2 ALA A 477 100.631 2.676 17.503 1.00 0.00 H new ATOM 0 HB3 ALA A 477 101.043 0.945 17.444 1.00 0.00 H new ATOM 642 N ILE A 478 103.902 0.232 16.498 1.00 0.00 N ATOM 643 CA ILE A 478 104.935 -0.771 16.729 1.00 0.00 C ATOM 644 C ILE A 478 106.285 -0.306 16.181 1.00 0.00 C ATOM 645 O ILE A 478 107.336 -0.655 16.719 1.00 0.00 O ATOM 646 CB ILE A 478 104.559 -2.129 16.098 1.00 0.00 C ATOM 647 CG1 ILE A 478 103.464 -2.810 16.920 1.00 0.00 C ATOM 648 CG2 ILE A 478 105.781 -3.032 15.992 1.00 0.00 C ATOM 649 CD1 ILE A 478 102.065 -2.389 16.531 1.00 0.00 C ATOM 0 H ILE A 478 103.308 0.050 15.689 1.00 0.00 H new ATOM 0 HA ILE A 478 105.016 -0.902 17.808 1.00 0.00 H new ATOM 0 HB ILE A 478 104.181 -1.947 15.092 1.00 0.00 H new ATOM 0 HG12 ILE A 478 103.554 -3.890 16.806 1.00 0.00 H new ATOM 0 HG13 ILE A 478 103.621 -2.587 17.975 1.00 0.00 H new ATOM 0 HG21 ILE A 478 105.493 -3.983 15.545 1.00 0.00 H new ATOM 0 HG22 ILE A 478 106.535 -2.552 15.369 1.00 0.00 H new ATOM 0 HG23 ILE A 478 106.191 -3.208 16.987 1.00 0.00 H new ATOM 0 HD11 ILE A 478 101.341 -2.912 17.156 1.00 0.00 H new ATOM 0 HD12 ILE A 478 101.956 -1.314 16.672 1.00 0.00 H new ATOM 0 HD13 ILE A 478 101.888 -2.637 15.485 1.00 0.00 H new ATOM 661 N SER A 479 106.247 0.480 15.109 1.00 0.00 N ATOM 662 CA SER A 479 107.467 0.990 14.489 1.00 0.00 C ATOM 663 C SER A 479 107.146 2.079 13.468 1.00 0.00 C ATOM 664 O SER A 479 105.982 2.336 13.167 1.00 0.00 O ATOM 665 CB SER A 479 108.233 -0.150 13.814 1.00 0.00 C ATOM 666 OG SER A 479 109.605 0.172 13.667 1.00 0.00 O ATOM 0 H SER A 479 105.385 0.778 14.651 1.00 0.00 H new ATOM 0 HA SER A 479 108.089 1.425 15.271 1.00 0.00 H new ATOM 0 HB2 SER A 479 108.132 -1.060 14.405 1.00 0.00 H new ATOM 0 HB3 SER A 479 107.798 -0.355 12.836 1.00 0.00 H new ATOM 0 HG SER A 479 110.102 -0.629 13.400 1.00 0.00 H new ATOM 672 N GLU A 480 108.187 2.718 12.939 1.00 0.00 N ATOM 673 CA GLU A 480 108.009 3.779 11.952 1.00 0.00 C ATOM 674 C GLU A 480 107.825 3.199 10.554 1.00 0.00 C ATOM 675 O GLU A 480 108.749 2.620 9.984 1.00 0.00 O ATOM 676 CB GLU A 480 109.209 4.729 11.967 1.00 0.00 C ATOM 677 CG GLU A 480 108.985 6.003 11.168 1.00 0.00 C ATOM 678 CD GLU A 480 109.693 5.983 9.828 1.00 0.00 C ATOM 679 OE1 GLU A 480 109.768 4.899 9.213 1.00 0.00 O ATOM 680 OE2 GLU A 480 110.174 7.052 9.393 1.00 0.00 O ATOM 0 H GLU A 480 109.159 2.520 13.176 1.00 0.00 H new ATOM 0 HA GLU A 480 107.110 4.336 12.217 1.00 0.00 H new ATOM 0 HB2 GLU A 480 109.440 4.993 12.999 1.00 0.00 H new ATOM 0 HB3 GLU A 480 110.080 4.208 11.568 1.00 0.00 H new ATOM 0 HG2 GLU A 480 107.916 6.144 11.008 1.00 0.00 H new ATOM 0 HG3 GLU A 480 109.336 6.857 11.747 1.00 0.00 H new ATOM 687 N VAL A 481 106.624 3.359 10.004 1.00 0.00 N ATOM 688 CA VAL A 481 106.318 2.851 8.672 1.00 0.00 C ATOM 689 C VAL A 481 106.609 3.899 7.601 1.00 0.00 C ATOM 690 O VAL A 481 106.696 5.091 7.892 1.00 0.00 O ATOM 691 CB VAL A 481 104.845 2.415 8.559 1.00 0.00 C ATOM 692 CG1 VAL A 481 104.558 1.250 9.494 1.00 0.00 C ATOM 693 CG2 VAL A 481 103.918 3.584 8.852 1.00 0.00 C ATOM 0 H VAL A 481 105.847 3.837 10.461 1.00 0.00 H new ATOM 0 HA VAL A 481 106.959 1.984 8.512 1.00 0.00 H new ATOM 0 HB VAL A 481 104.662 2.083 7.537 1.00 0.00 H new ATOM 0 HG11 VAL A 481 103.512 0.957 9.400 1.00 0.00 H new ATOM 0 HG12 VAL A 481 105.197 0.407 9.231 1.00 0.00 H new ATOM 0 HG13 VAL A 481 104.759 1.551 10.522 1.00 0.00 H new ATOM 0 HG21 VAL A 481 102.882 3.257 8.767 1.00 0.00 H new ATOM 0 HG22 VAL A 481 104.102 3.950 9.862 1.00 0.00 H new ATOM 0 HG23 VAL A 481 104.105 4.385 8.137 1.00 0.00 H new ATOM 703 N LEU A 482 106.757 3.443 6.361 1.00 0.00 N ATOM 704 CA LEU A 482 107.037 4.338 5.244 1.00 0.00 C ATOM 705 C LEU A 482 105.743 4.896 4.659 1.00 0.00 C ATOM 706 O LEU A 482 105.714 6.014 4.145 1.00 0.00 O ATOM 707 CB LEU A 482 107.828 3.603 4.159 1.00 0.00 C ATOM 708 CG LEU A 482 107.836 4.280 2.787 1.00 0.00 C ATOM 709 CD1 LEU A 482 108.370 5.699 2.895 1.00 0.00 C ATOM 710 CD2 LEU A 482 108.664 3.473 1.800 1.00 0.00 C ATOM 0 H LEU A 482 106.688 2.458 6.105 1.00 0.00 H new ATOM 0 HA LEU A 482 107.635 5.170 5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 482 108.858 3.490 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 482 107.417 2.600 4.049 1.00 0.00 H new ATOM 0 HG LEU A 482 106.811 4.326 2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 482 108.368 6.164 1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 482 107.737 6.276 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 482 109.388 5.676 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 482 108.659 3.969 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 482 109.689 3.396 2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 482 108.239 2.474 1.699 1.00 0.00 H new ATOM 722 N TYR A 483 104.674 4.111 4.755 1.00 0.00 N ATOM 723 CA TYR A 483 103.366 4.520 4.250 1.00 0.00 C ATOM 724 C TYR A 483 102.383 3.356 4.282 1.00 0.00 C ATOM 725 O TYR A 483 102.661 2.282 3.750 1.00 0.00 O ATOM 726 CB TYR A 483 103.477 5.061 2.822 1.00 0.00 C ATOM 727 CG TYR A 483 102.149 5.479 2.235 1.00 0.00 C ATOM 728 CD1 TYR A 483 101.162 4.539 1.962 1.00 0.00 C ATOM 729 CD2 TYR A 483 101.879 6.813 1.957 1.00 0.00 C ATOM 730 CE1 TYR A 483 99.944 4.918 1.429 1.00 0.00 C ATOM 731 CE2 TYR A 483 100.664 7.199 1.424 1.00 0.00 C ATOM 732 CZ TYR A 483 99.700 6.248 1.162 1.00 0.00 C ATOM 733 OH TYR A 483 98.489 6.629 0.633 1.00 0.00 O ATOM 0 H TYR A 483 104.688 3.184 5.180 1.00 0.00 H new ATOM 0 HA TYR A 483 102.995 5.313 4.900 1.00 0.00 H new ATOM 0 HB2 TYR A 483 104.154 5.916 2.816 1.00 0.00 H new ATOM 0 HB3 TYR A 483 103.923 4.297 2.185 1.00 0.00 H new ATOM 0 HD1 TYR A 483 101.350 3.496 2.170 1.00 0.00 H new ATOM 0 HD2 TYR A 483 102.631 7.561 2.161 1.00 0.00 H new ATOM 0 HE1 TYR A 483 99.187 4.175 1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 483 100.470 8.240 1.214 1.00 0.00 H new ATOM 0 HH TYR A 483 98.479 7.601 0.506 1.00 0.00 H new ATOM 743 N VAL A 484 101.234 3.574 4.913 1.00 0.00 N ATOM 744 CA VAL A 484 100.213 2.539 5.016 1.00 0.00 C ATOM 745 C VAL A 484 99.055 2.802 4.058 1.00 0.00 C ATOM 746 O VAL A 484 98.307 3.766 4.219 1.00 0.00 O ATOM 747 CB VAL A 484 99.667 2.433 6.453 1.00 0.00 C ATOM 748 CG1 VAL A 484 99.324 3.811 6.997 1.00 0.00 C ATOM 749 CG2 VAL A 484 98.455 1.516 6.497 1.00 0.00 C ATOM 0 H VAL A 484 100.987 4.457 5.360 1.00 0.00 H new ATOM 0 HA VAL A 484 100.691 1.597 4.745 1.00 0.00 H new ATOM 0 HB VAL A 484 100.442 2.002 7.086 1.00 0.00 H new ATOM 0 HG11 VAL A 484 98.940 3.716 8.013 1.00 0.00 H new ATOM 0 HG12 VAL A 484 100.219 4.433 7.004 1.00 0.00 H new ATOM 0 HG13 VAL A 484 98.566 4.274 6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 484 98.083 1.453 7.520 1.00 0.00 H new ATOM 0 HG22 VAL A 484 97.673 1.915 5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 484 98.738 0.522 6.152 1.00 0.00 H new ATOM 759 N ASP A 485 98.914 1.933 3.060 1.00 0.00 N ATOM 760 CA ASP A 485 97.848 2.061 2.072 1.00 0.00 C ATOM 761 C ASP A 485 96.678 1.143 2.416 1.00 0.00 C ATOM 762 O ASP A 485 96.869 -0.037 2.702 1.00 0.00 O ATOM 763 CB ASP A 485 98.377 1.733 0.674 1.00 0.00 C ATOM 764 CG ASP A 485 97.278 1.717 -0.371 1.00 0.00 C ATOM 765 OD1 ASP A 485 96.310 2.493 -0.228 1.00 0.00 O ATOM 766 OD2 ASP A 485 97.387 0.928 -1.333 1.00 0.00 O ATOM 0 H ASP A 485 99.527 1.131 2.915 1.00 0.00 H new ATOM 0 HA ASP A 485 97.494 3.092 2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 485 99.132 2.467 0.392 1.00 0.00 H new ATOM 0 HB3 ASP A 485 98.870 0.761 0.694 1.00 0.00 H new ATOM 771 N LEU A 486 95.469 1.695 2.391 1.00 0.00 N ATOM 772 CA LEU A 486 94.269 0.924 2.705 1.00 0.00 C ATOM 773 C LEU A 486 93.209 1.105 1.623 1.00 0.00 C ATOM 774 O LEU A 486 92.881 2.231 1.252 1.00 0.00 O ATOM 775 CB LEU A 486 93.696 1.365 4.053 1.00 0.00 C ATOM 776 CG LEU A 486 94.466 0.879 5.281 1.00 0.00 C ATOM 777 CD1 LEU A 486 95.073 2.057 6.026 1.00 0.00 C ATOM 778 CD2 LEU A 486 93.551 0.080 6.195 1.00 0.00 C ATOM 0 H LEU A 486 95.293 2.672 2.157 1.00 0.00 H new ATOM 0 HA LEU A 486 94.548 -0.129 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 486 93.660 2.454 4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 486 92.668 1.010 4.126 1.00 0.00 H new ATOM 0 HG LEU A 486 95.276 0.229 4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 486 95.618 1.695 6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 486 95.757 2.591 5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 486 94.280 2.731 6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 486 94.113 -0.260 7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 486 92.723 0.709 6.521 1.00 0.00 H new ATOM 0 HD23 LEU A 486 93.161 -0.783 5.655 1.00 0.00 H new ATOM 790 N LEU A 487 92.664 -0.003 1.125 1.00 0.00 N ATOM 791 CA LEU A 487 91.633 0.061 0.097 1.00 0.00 C ATOM 792 C LEU A 487 90.347 0.645 0.670 1.00 0.00 C ATOM 793 O LEU A 487 89.447 -0.093 1.069 1.00 0.00 O ATOM 794 CB LEU A 487 91.364 -1.330 -0.478 1.00 0.00 C ATOM 795 CG LEU A 487 92.204 -1.702 -1.701 1.00 0.00 C ATOM 796 CD1 LEU A 487 91.575 -1.144 -2.968 1.00 0.00 C ATOM 797 CD2 LEU A 487 93.630 -1.196 -1.542 1.00 0.00 C ATOM 0 H LEU A 487 92.918 -0.947 1.415 1.00 0.00 H new ATOM 0 HA LEU A 487 91.988 0.709 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 487 91.541 -2.069 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 487 90.310 -1.397 -0.747 1.00 0.00 H new ATOM 0 HG LEU A 487 92.233 -2.789 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 487 92.186 -1.418 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 487 90.573 -1.555 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 487 91.515 -0.058 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 487 94.213 -1.470 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 487 93.621 -0.111 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 487 94.078 -1.644 -0.655 1.00 0.00 H new ATOM 809 N GLU A 488 90.279 1.972 0.714 1.00 0.00 N ATOM 810 CA GLU A 488 89.115 2.678 1.245 1.00 0.00 C ATOM 811 C GLU A 488 87.832 1.870 1.058 1.00 0.00 C ATOM 812 O GLU A 488 87.467 1.514 -0.062 1.00 0.00 O ATOM 813 CB GLU A 488 88.975 4.040 0.564 1.00 0.00 C ATOM 814 CG GLU A 488 88.888 3.953 -0.950 1.00 0.00 C ATOM 815 CD GLU A 488 89.260 5.255 -1.633 1.00 0.00 C ATOM 816 OE1 GLU A 488 88.908 6.328 -1.099 1.00 0.00 O ATOM 817 OE2 GLU A 488 89.903 5.201 -2.703 1.00 0.00 O ATOM 0 H GLU A 488 91.024 2.586 0.385 1.00 0.00 H new ATOM 0 HA GLU A 488 89.270 2.817 2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 488 88.082 4.537 0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 488 89.827 4.663 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 488 89.548 3.161 -1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 488 87.874 3.674 -1.236 1.00 0.00 H new ATOM 824 N GLY A 489 87.149 1.592 2.166 1.00 0.00 N ATOM 825 CA GLY A 489 85.911 0.836 2.108 1.00 0.00 C ATOM 826 C GLY A 489 86.139 -0.657 1.972 1.00 0.00 C ATOM 827 O GLY A 489 85.185 -1.434 1.916 1.00 0.00 O ATOM 0 H GLY A 489 87.432 1.878 3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 489 85.330 1.029 3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 489 85.316 1.186 1.264 1.00 0.00 H new ATOM 831 N ASP A 490 87.404 -1.062 1.917 1.00 0.00 N ATOM 832 CA ASP A 490 87.748 -2.473 1.781 1.00 0.00 C ATOM 833 C ASP A 490 88.448 -2.994 3.033 1.00 0.00 C ATOM 834 O ASP A 490 89.011 -2.226 3.812 1.00 0.00 O ATOM 835 CB ASP A 490 88.641 -2.687 0.558 1.00 0.00 C ATOM 836 CG ASP A 490 88.403 -4.031 -0.102 1.00 0.00 C ATOM 837 OD1 ASP A 490 87.226 -4.379 -0.335 1.00 0.00 O ATOM 838 OD2 ASP A 490 89.394 -4.736 -0.387 1.00 0.00 O ATOM 0 H ASP A 490 88.207 -0.434 1.964 1.00 0.00 H new ATOM 0 HA ASP A 490 86.821 -3.031 1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 490 88.459 -1.892 -0.165 1.00 0.00 H new ATOM 0 HB3 ASP A 490 89.686 -2.612 0.857 1.00 0.00 H new ATOM 843 N THR A 491 88.402 -4.309 3.215 1.00 0.00 N ATOM 844 CA THR A 491 89.025 -4.952 4.367 1.00 0.00 C ATOM 845 C THR A 491 90.447 -5.400 4.050 1.00 0.00 C ATOM 846 O THR A 491 91.042 -6.177 4.796 1.00 0.00 O ATOM 847 CB THR A 491 88.213 -6.172 4.839 1.00 0.00 C ATOM 848 OG1 THR A 491 88.420 -7.302 3.981 1.00 0.00 O ATOM 849 CG2 THR A 491 86.726 -5.857 4.869 1.00 0.00 C ATOM 0 H THR A 491 87.937 -4.954 2.576 1.00 0.00 H new ATOM 0 HA THR A 491 89.050 -4.208 5.163 1.00 0.00 H new ATOM 0 HB THR A 491 88.561 -6.412 5.844 1.00 0.00 H new ATOM 0 HG1 THR A 491 87.893 -8.061 4.307 1.00 0.00 H new ATOM 0 HG21 THR A 491 86.175 -6.735 5.206 1.00 0.00 H new ATOM 0 HG22 THR A 491 86.543 -5.029 5.554 1.00 0.00 H new ATOM 0 HG23 THR A 491 86.392 -5.581 3.869 1.00 0.00 H new ATOM 857 N GLU A 492 90.990 -4.909 2.940 1.00 0.00 N ATOM 858 CA GLU A 492 92.343 -5.269 2.535 1.00 0.00 C ATOM 859 C GLU A 492 93.248 -4.043 2.471 1.00 0.00 C ATOM 860 O GLU A 492 93.029 -3.133 1.667 1.00 0.00 O ATOM 861 CB GLU A 492 92.322 -5.971 1.177 1.00 0.00 C ATOM 862 CG GLU A 492 91.735 -7.372 1.226 1.00 0.00 C ATOM 863 CD GLU A 492 92.736 -8.434 0.817 1.00 0.00 C ATOM 864 OE1 GLU A 492 93.695 -8.099 0.091 1.00 0.00 O ATOM 865 OE2 GLU A 492 92.560 -9.603 1.223 1.00 0.00 O ATOM 0 H GLU A 492 90.516 -4.264 2.308 1.00 0.00 H new ATOM 0 HA GLU A 492 92.744 -5.950 3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 492 91.745 -5.369 0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 492 93.339 -6.026 0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 492 91.382 -7.580 2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 492 90.867 -7.422 0.568 1.00 0.00 H new ATOM 872 N CYS A 493 94.265 -4.024 3.326 1.00 0.00 N ATOM 873 CA CYS A 493 95.208 -2.914 3.372 1.00 0.00 C ATOM 874 C CYS A 493 96.643 -3.418 3.251 1.00 0.00 C ATOM 875 O CYS A 493 96.975 -4.492 3.750 1.00 0.00 O ATOM 876 CB CYS A 493 95.039 -2.134 4.674 1.00 0.00 C ATOM 877 SG CYS A 493 94.509 -3.144 6.077 1.00 0.00 S ATOM 0 H CYS A 493 94.457 -4.767 3.998 1.00 0.00 H new ATOM 0 HA CYS A 493 95.000 -2.254 2.530 1.00 0.00 H new ATOM 0 HB2 CYS A 493 95.985 -1.654 4.923 1.00 0.00 H new ATOM 0 HB3 CYS A 493 94.310 -1.339 4.517 1.00 0.00 H new ATOM 0 HG CYS A 493 94.797 -4.391 5.848 1.00 0.00 H new ATOM 883 N HIS A 494 97.488 -2.637 2.589 1.00 0.00 N ATOM 884 CA HIS A 494 98.889 -3.004 2.405 1.00 0.00 C ATOM 885 C HIS A 494 99.804 -1.872 2.859 1.00 0.00 C ATOM 886 O HIS A 494 99.901 -0.840 2.197 1.00 0.00 O ATOM 887 CB HIS A 494 99.157 -3.334 0.936 1.00 0.00 C ATOM 888 CG HIS A 494 98.466 -4.576 0.466 1.00 0.00 C ATOM 889 ND1 HIS A 494 97.096 -4.723 0.474 1.00 0.00 N ATOM 890 CD2 HIS A 494 98.965 -5.734 -0.031 1.00 0.00 C ATOM 891 CE1 HIS A 494 96.781 -5.917 0.005 1.00 0.00 C ATOM 892 NE2 HIS A 494 97.896 -6.548 -0.308 1.00 0.00 N ATOM 0 H HIS A 494 97.228 -1.744 2.170 1.00 0.00 H new ATOM 0 HA HIS A 494 99.098 -3.885 3.013 1.00 0.00 H new ATOM 0 HB2 HIS A 494 98.837 -2.494 0.319 1.00 0.00 H new ATOM 0 HB3 HIS A 494 100.231 -3.447 0.788 1.00 0.00 H new ATOM 0 HD2 HIS A 494 100.008 -5.971 -0.181 1.00 0.00 H new ATOM 0 HE1 HIS A 494 95.781 -6.310 -0.104 1.00 0.00 H new ATOM 0 HE2 HIS A 494 97.954 -7.490 -0.694 1.00 0.00 H new ATOM 901 N ALA A 495 100.462 -2.063 3.999 1.00 0.00 N ATOM 902 CA ALA A 495 101.352 -1.045 4.541 1.00 0.00 C ATOM 903 C ALA A 495 102.806 -1.287 4.147 1.00 0.00 C ATOM 904 O ALA A 495 103.381 -2.333 4.453 1.00 0.00 O ATOM 905 CB ALA A 495 101.228 -0.969 6.056 1.00 0.00 C ATOM 0 H ALA A 495 100.395 -2.911 4.562 1.00 0.00 H new ATOM 0 HA ALA A 495 101.045 -0.092 4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 495 101.902 -0.202 6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 495 100.202 -0.717 6.325 1.00 0.00 H new ATOM 0 HB3 ALA A 495 101.491 -1.933 6.491 1.00 0.00 H new ATOM 911 N ARG A 496 103.396 -0.298 3.483 1.00 0.00 N ATOM 912 CA ARG A 496 104.790 -0.374 3.056 1.00 0.00 C ATOM 913 C ARG A 496 105.703 0.153 4.158 1.00 0.00 C ATOM 914 O ARG A 496 105.362 1.111 4.854 1.00 0.00 O ATOM 915 CB ARG A 496 104.991 0.436 1.774 1.00 0.00 C ATOM 916 CG ARG A 496 103.780 0.426 0.855 1.00 0.00 C ATOM 917 CD ARG A 496 104.126 0.950 -0.530 1.00 0.00 C ATOM 918 NE ARG A 496 103.878 2.383 -0.650 1.00 0.00 N ATOM 919 CZ ARG A 496 102.662 2.921 -0.690 1.00 0.00 C ATOM 920 NH1 ARG A 496 101.589 2.145 -0.620 1.00 0.00 N ATOM 921 NH2 ARG A 496 102.520 4.235 -0.799 1.00 0.00 N ATOM 0 H ARG A 496 102.927 0.571 3.227 1.00 0.00 H new ATOM 0 HA ARG A 496 105.043 -1.416 2.857 1.00 0.00 H new ATOM 0 HB2 ARG A 496 105.228 1.467 2.038 1.00 0.00 H new ATOM 0 HB3 ARG A 496 105.851 0.039 1.234 1.00 0.00 H new ATOM 0 HG2 ARG A 496 103.392 -0.589 0.774 1.00 0.00 H new ATOM 0 HG3 ARG A 496 102.988 1.037 1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 496 105.175 0.744 -0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 496 103.538 0.417 -1.277 1.00 0.00 H new ATOM 0 HE ARG A 496 104.683 3.007 -0.706 1.00 0.00 H new ATOM 0 HH11 ARG A 496 101.695 1.134 -0.535 1.00 0.00 H new ATOM 0 HH12 ARG A 496 100.657 2.559 -0.651 1.00 0.00 H new ATOM 0 HH21 ARG A 496 103.344 4.834 -0.852 1.00 0.00 H new ATOM 0 HH22 ARG A 496 101.587 4.646 -0.830 1.00 0.00 H new ATOM 935 N PHE A 497 106.864 -0.473 4.311 1.00 0.00 N ATOM 936 CA PHE A 497 107.824 -0.059 5.329 1.00 0.00 C ATOM 937 C PHE A 497 109.168 0.289 4.702 1.00 0.00 C ATOM 938 O PHE A 497 109.505 -0.195 3.621 1.00 0.00 O ATOM 939 CB PHE A 497 107.998 -1.161 6.375 1.00 0.00 C ATOM 940 CG PHE A 497 106.740 -1.455 7.136 1.00 0.00 C ATOM 941 CD1 PHE A 497 106.699 -1.328 8.515 1.00 0.00 C ATOM 942 CD2 PHE A 497 105.593 -1.853 6.468 1.00 0.00 C ATOM 943 CE1 PHE A 497 105.538 -1.594 9.214 1.00 0.00 C ATOM 944 CE2 PHE A 497 104.431 -2.121 7.161 1.00 0.00 C ATOM 945 CZ PHE A 497 104.402 -1.991 8.537 1.00 0.00 C ATOM 0 H PHE A 497 107.164 -1.267 3.745 1.00 0.00 H new ATOM 0 HA PHE A 497 107.435 0.834 5.818 1.00 0.00 H new ATOM 0 HB2 PHE A 497 108.338 -2.071 5.881 1.00 0.00 H new ATOM 0 HB3 PHE A 497 108.779 -0.868 7.076 1.00 0.00 H new ATOM 0 HD1 PHE A 497 107.585 -1.018 9.049 1.00 0.00 H new ATOM 0 HD2 PHE A 497 105.609 -1.954 5.393 1.00 0.00 H new ATOM 0 HE1 PHE A 497 105.519 -1.492 10.289 1.00 0.00 H new ATOM 0 HE2 PHE A 497 103.544 -2.432 6.629 1.00 0.00 H new ATOM 0 HZ PHE A 497 103.493 -2.200 9.081 1.00 0.00 H new ATOM 955 N LYS A 498 109.930 1.138 5.385 1.00 0.00 N ATOM 956 CA LYS A 498 111.235 1.556 4.892 1.00 0.00 C ATOM 957 C LYS A 498 112.301 0.512 5.207 1.00 0.00 C ATOM 958 O LYS A 498 113.363 0.490 4.587 1.00 0.00 O ATOM 959 CB LYS A 498 111.627 2.902 5.505 1.00 0.00 C ATOM 960 CG LYS A 498 112.075 3.930 4.480 1.00 0.00 C ATOM 961 CD LYS A 498 113.399 3.540 3.844 1.00 0.00 C ATOM 962 CE LYS A 498 113.912 4.629 2.916 1.00 0.00 C ATOM 963 NZ LYS A 498 114.839 5.562 3.614 1.00 0.00 N ATOM 0 H LYS A 498 109.665 1.549 6.280 1.00 0.00 H new ATOM 0 HA LYS A 498 111.167 1.661 3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 498 110.777 3.300 6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 498 112.431 2.744 6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 498 111.314 4.030 3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 498 112.173 4.904 4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 498 114.136 3.348 4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 498 113.276 2.612 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 498 114.425 4.173 2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 498 113.069 5.189 2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 115.166 6.290 2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 114.342 6.017 4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 115.657 5.032 3.977 1.00 0.00 H new ATOM 977 N THR A 499 112.009 -0.353 6.172 1.00 0.00 N ATOM 978 CA THR A 499 112.946 -1.400 6.564 1.00 0.00 C ATOM 979 C THR A 499 112.237 -2.737 6.741 1.00 0.00 C ATOM 980 O THR A 499 111.053 -2.787 7.071 1.00 0.00 O ATOM 981 CB THR A 499 113.673 -1.047 7.873 1.00 0.00 C ATOM 982 OG1 THR A 499 112.914 -0.122 8.662 1.00 0.00 O ATOM 983 CG2 THR A 499 115.035 -0.431 7.588 1.00 0.00 C ATOM 0 H THR A 499 111.134 -0.350 6.696 1.00 0.00 H new ATOM 0 HA THR A 499 113.677 -1.480 5.760 1.00 0.00 H new ATOM 0 HB THR A 499 113.795 -1.978 8.426 1.00 0.00 H new ATOM 0 HG1 THR A 499 113.409 0.093 9.480 1.00 0.00 H new ATOM 0 HG21 THR A 499 115.529 -0.190 8.529 1.00 0.00 H new ATOM 0 HG22 THR A 499 115.645 -1.140 7.029 1.00 0.00 H new ATOM 0 HG23 THR A 499 114.907 0.479 7.002 1.00 0.00 H new ATOM 991 N PRO A 500 112.966 -3.840 6.522 1.00 0.00 N ATOM 992 CA PRO A 500 112.420 -5.193 6.656 1.00 0.00 C ATOM 993 C PRO A 500 112.188 -5.587 8.110 1.00 0.00 C ATOM 994 O PRO A 500 111.241 -6.306 8.428 1.00 0.00 O ATOM 995 CB PRO A 500 113.506 -6.073 6.040 1.00 0.00 C ATOM 996 CG PRO A 500 114.768 -5.299 6.207 1.00 0.00 C ATOM 997 CD PRO A 500 114.386 -3.848 6.126 1.00 0.00 C ATOM 0 HA PRO A 500 111.446 -5.286 6.176 1.00 0.00 H new ATOM 0 HB2 PRO A 500 113.565 -7.038 6.543 1.00 0.00 H new ATOM 0 HB3 PRO A 500 113.302 -6.274 4.988 1.00 0.00 H new ATOM 0 HG2 PRO A 500 115.239 -5.524 7.164 1.00 0.00 H new ATOM 0 HG3 PRO A 500 115.488 -5.556 5.430 1.00 0.00 H new ATOM 0 HD2 PRO A 500 114.992 -3.236 6.794 1.00 0.00 H new ATOM 0 HD3 PRO A 500 114.524 -3.453 5.120 1.00 0.00 H new ATOM 1005 N GLU A 501 113.064 -5.113 8.988 1.00 0.00 N ATOM 1006 CA GLU A 501 112.962 -5.416 10.410 1.00 0.00 C ATOM 1007 C GLU A 501 111.689 -4.828 11.011 1.00 0.00 C ATOM 1008 O GLU A 501 111.039 -5.458 11.844 1.00 0.00 O ATOM 1009 CB GLU A 501 114.184 -4.877 11.157 1.00 0.00 C ATOM 1010 CG GLU A 501 115.498 -5.142 10.442 1.00 0.00 C ATOM 1011 CD GLU A 501 115.713 -6.614 10.150 1.00 0.00 C ATOM 1012 OE1 GLU A 501 116.002 -7.373 11.099 1.00 0.00 O ATOM 1013 OE2 GLU A 501 115.593 -7.008 8.970 1.00 0.00 O ATOM 0 H GLU A 501 113.853 -4.517 8.740 1.00 0.00 H new ATOM 0 HA GLU A 501 112.923 -6.500 10.517 1.00 0.00 H new ATOM 0 HB2 GLU A 501 114.068 -3.803 11.300 1.00 0.00 H new ATOM 0 HB3 GLU A 501 114.222 -5.328 12.149 1.00 0.00 H new ATOM 0 HG2 GLU A 501 115.518 -4.583 9.507 1.00 0.00 H new ATOM 0 HG3 GLU A 501 116.321 -4.772 11.053 1.00 0.00 H new ATOM 1020 N ASP A 502 111.341 -3.616 10.588 1.00 0.00 N ATOM 1021 CA ASP A 502 110.146 -2.950 11.093 1.00 0.00 C ATOM 1022 C ASP A 502 108.893 -3.755 10.766 1.00 0.00 C ATOM 1023 O ASP A 502 108.026 -3.947 11.619 1.00 0.00 O ATOM 1024 CB ASP A 502 110.033 -1.544 10.500 1.00 0.00 C ATOM 1025 CG ASP A 502 111.167 -0.638 10.939 1.00 0.00 C ATOM 1026 OD1 ASP A 502 111.868 -0.994 11.910 1.00 0.00 O ATOM 1027 OD2 ASP A 502 111.354 0.425 10.311 1.00 0.00 O ATOM 0 H ASP A 502 111.867 -3.078 9.900 1.00 0.00 H new ATOM 0 HA ASP A 502 110.233 -2.875 12.177 1.00 0.00 H new ATOM 0 HB2 ASP A 502 110.026 -1.611 9.412 1.00 0.00 H new ATOM 0 HB3 ASP A 502 109.082 -1.102 10.799 1.00 0.00 H new ATOM 1032 N ALA A 503 108.806 -4.231 9.528 1.00 0.00 N ATOM 1033 CA ALA A 503 107.661 -5.023 9.094 1.00 0.00 C ATOM 1034 C ALA A 503 107.632 -6.371 9.806 1.00 0.00 C ATOM 1035 O ALA A 503 106.577 -6.836 10.238 1.00 0.00 O ATOM 1036 CB ALA A 503 107.678 -5.221 7.586 1.00 0.00 C ATOM 0 H ALA A 503 109.514 -4.082 8.809 1.00 0.00 H new ATOM 0 HA ALA A 503 106.757 -4.475 9.358 1.00 0.00 H new ATOM 0 HB1 ALA A 503 106.814 -5.815 7.287 1.00 0.00 H new ATOM 0 HB2 ALA A 503 107.640 -4.251 7.091 1.00 0.00 H new ATOM 0 HB3 ALA A 503 108.592 -5.740 7.297 1.00 0.00 H new ATOM 1042 N GLN A 504 108.801 -6.992 9.921 1.00 0.00 N ATOM 1043 CA GLN A 504 108.922 -8.288 10.578 1.00 0.00 C ATOM 1044 C GLN A 504 108.518 -8.199 12.048 1.00 0.00 C ATOM 1045 O GLN A 504 107.846 -9.085 12.574 1.00 0.00 O ATOM 1046 CB GLN A 504 110.359 -8.802 10.464 1.00 0.00 C ATOM 1047 CG GLN A 504 110.487 -10.304 10.652 1.00 0.00 C ATOM 1048 CD GLN A 504 111.810 -10.844 10.145 1.00 0.00 C ATOM 1049 OE1 GLN A 504 111.900 -11.994 9.715 1.00 0.00 O ATOM 1050 NE2 GLN A 504 112.846 -10.014 10.192 1.00 0.00 N ATOM 0 H GLN A 504 109.681 -6.617 9.566 1.00 0.00 H new ATOM 0 HA GLN A 504 108.248 -8.985 10.079 1.00 0.00 H new ATOM 0 HB2 GLN A 504 110.755 -8.532 9.485 1.00 0.00 H new ATOM 0 HB3 GLN A 504 110.976 -8.298 11.208 1.00 0.00 H new ATOM 0 HG2 GLN A 504 110.382 -10.544 11.710 1.00 0.00 H new ATOM 0 HG3 GLN A 504 109.671 -10.803 10.129 1.00 0.00 H new ATOM 0 HE21 GLN A 504 112.726 -9.069 10.556 1.00 0.00 H new ATOM 0 HE22 GLN A 504 113.761 -10.322 9.864 1.00 0.00 H new ATOM 1059 N ALA A 505 108.948 -7.131 12.710 1.00 0.00 N ATOM 1060 CA ALA A 505 108.641 -6.937 14.121 1.00 0.00 C ATOM 1061 C ALA A 505 107.146 -6.715 14.348 1.00 0.00 C ATOM 1062 O ALA A 505 106.577 -7.231 15.308 1.00 0.00 O ATOM 1063 CB ALA A 505 109.435 -5.771 14.689 1.00 0.00 C ATOM 0 H ALA A 505 109.509 -6.388 12.293 1.00 0.00 H new ATOM 0 HA ALA A 505 108.928 -7.849 14.644 1.00 0.00 H new ATOM 0 HB1 ALA A 505 109.191 -5.644 15.744 1.00 0.00 H new ATOM 0 HB2 ALA A 505 110.501 -5.972 14.585 1.00 0.00 H new ATOM 0 HB3 ALA A 505 109.183 -4.860 14.146 1.00 0.00 H new ATOM 1069 N VAL A 506 106.517 -5.935 13.471 1.00 0.00 N ATOM 1070 CA VAL A 506 105.092 -5.643 13.600 1.00 0.00 C ATOM 1071 C VAL A 506 104.231 -6.875 13.338 1.00 0.00 C ATOM 1072 O VAL A 506 103.269 -7.131 14.058 1.00 0.00 O ATOM 1073 CB VAL A 506 104.657 -4.521 12.639 1.00 0.00 C ATOM 1074 CG1 VAL A 506 103.200 -4.152 12.873 1.00 0.00 C ATOM 1075 CG2 VAL A 506 105.552 -3.303 12.797 1.00 0.00 C ATOM 0 H VAL A 506 106.969 -5.497 12.668 1.00 0.00 H new ATOM 0 HA VAL A 506 104.942 -5.318 14.630 1.00 0.00 H new ATOM 0 HB VAL A 506 104.757 -4.887 11.617 1.00 0.00 H new ATOM 0 HG11 VAL A 506 102.911 -3.358 12.185 1.00 0.00 H new ATOM 0 HG12 VAL A 506 102.571 -5.026 12.703 1.00 0.00 H new ATOM 0 HG13 VAL A 506 103.072 -3.807 13.899 1.00 0.00 H new ATOM 0 HG21 VAL A 506 105.228 -2.522 12.109 1.00 0.00 H new ATOM 0 HG22 VAL A 506 105.488 -2.935 13.821 1.00 0.00 H new ATOM 0 HG23 VAL A 506 106.583 -3.578 12.574 1.00 0.00 H new ATOM 1085 N ILE A 507 104.577 -7.632 12.303 1.00 0.00 N ATOM 1086 CA ILE A 507 103.820 -8.832 11.960 1.00 0.00 C ATOM 1087 C ILE A 507 103.960 -9.899 13.040 1.00 0.00 C ATOM 1088 O ILE A 507 103.002 -10.601 13.362 1.00 0.00 O ATOM 1089 CB ILE A 507 104.261 -9.428 10.608 1.00 0.00 C ATOM 1090 CG1 ILE A 507 105.782 -9.386 10.468 1.00 0.00 C ATOM 1091 CG2 ILE A 507 103.597 -8.684 9.459 1.00 0.00 C ATOM 1092 CD1 ILE A 507 106.409 -10.750 10.280 1.00 0.00 C ATOM 0 H ILE A 507 105.370 -7.439 11.691 1.00 0.00 H new ATOM 0 HA ILE A 507 102.777 -8.525 11.883 1.00 0.00 H new ATOM 0 HB ILE A 507 103.946 -10.471 10.573 1.00 0.00 H new ATOM 0 HG12 ILE A 507 106.043 -8.755 9.619 1.00 0.00 H new ATOM 0 HG13 ILE A 507 106.208 -8.918 11.356 1.00 0.00 H new ATOM 0 HG21 ILE A 507 103.918 -9.116 8.511 1.00 0.00 H new ATOM 0 HG22 ILE A 507 102.514 -8.769 9.548 1.00 0.00 H new ATOM 0 HG23 ILE A 507 103.882 -7.633 9.493 1.00 0.00 H new ATOM 0 HD11 ILE A 507 107.490 -10.644 10.188 1.00 0.00 H new ATOM 0 HD12 ILE A 507 106.178 -11.378 11.140 1.00 0.00 H new ATOM 0 HD13 ILE A 507 106.011 -11.212 9.376 1.00 0.00 H new ATOM 1104 N ASN A 508 105.156 -10.003 13.608 1.00 0.00 N ATOM 1105 CA ASN A 508 105.411 -10.974 14.665 1.00 0.00 C ATOM 1106 C ASN A 508 104.703 -10.566 15.954 1.00 0.00 C ATOM 1107 O ASN A 508 104.130 -11.400 16.655 1.00 0.00 O ATOM 1108 CB ASN A 508 106.914 -11.105 14.917 1.00 0.00 C ATOM 1109 CG ASN A 508 107.632 -11.817 13.788 1.00 0.00 C ATOM 1110 OD1 ASN A 508 107.199 -12.876 13.331 1.00 0.00 O ATOM 1111 ND2 ASN A 508 108.738 -11.240 13.331 1.00 0.00 N ATOM 0 H ASN A 508 105.961 -9.430 13.356 1.00 0.00 H new ATOM 0 HA ASN A 508 105.020 -11.939 14.342 1.00 0.00 H new ATOM 0 HB2 ASN A 508 107.345 -10.112 15.049 1.00 0.00 H new ATOM 0 HB3 ASN A 508 107.077 -11.649 15.847 1.00 0.00 H new ATOM 0 HD21 ASN A 508 109.264 -11.674 12.573 1.00 0.00 H new ATOM 0 HD22 ASN A 508 109.061 -10.363 13.738 1.00 0.00 H new ATOM 1118 N ALA A 509 104.753 -9.273 16.254 1.00 0.00 N ATOM 1119 CA ALA A 509 104.124 -8.731 17.456 1.00 0.00 C ATOM 1120 C ALA A 509 102.611 -8.608 17.302 1.00 0.00 C ATOM 1121 O ALA A 509 101.875 -8.603 18.289 1.00 0.00 O ATOM 1122 CB ALA A 509 104.722 -7.378 17.814 1.00 0.00 C ATOM 0 H ALA A 509 105.225 -8.576 15.678 1.00 0.00 H new ATOM 0 HA ALA A 509 104.322 -9.434 18.265 1.00 0.00 H new ATOM 0 HB1 ALA A 509 104.239 -6.993 18.712 1.00 0.00 H new ATOM 0 HB2 ALA A 509 105.791 -7.489 17.996 1.00 0.00 H new ATOM 0 HB3 ALA A 509 104.565 -6.681 16.990 1.00 0.00 H new ATOM 1128 N TYR A 510 102.156 -8.474 16.061 1.00 0.00 N ATOM 1129 CA TYR A 510 100.735 -8.313 15.777 1.00 0.00 C ATOM 1130 C TYR A 510 99.913 -9.511 16.227 1.00 0.00 C ATOM 1131 O TYR A 510 98.685 -9.439 16.275 1.00 0.00 O ATOM 1132 CB TYR A 510 100.515 -8.078 14.288 1.00 0.00 C ATOM 1133 CG TYR A 510 100.057 -6.678 13.965 1.00 0.00 C ATOM 1134 CD1 TYR A 510 99.135 -6.439 12.955 1.00 0.00 C ATOM 1135 CD2 TYR A 510 100.552 -5.592 14.671 1.00 0.00 C ATOM 1136 CE1 TYR A 510 98.718 -5.156 12.657 1.00 0.00 C ATOM 1137 CE2 TYR A 510 100.141 -4.304 14.382 1.00 0.00 C ATOM 1138 CZ TYR A 510 99.225 -4.091 13.373 1.00 0.00 C ATOM 1139 OH TYR A 510 98.812 -2.812 13.082 1.00 0.00 O ATOM 0 H TYR A 510 102.753 -8.474 15.234 1.00 0.00 H new ATOM 0 HA TYR A 510 100.397 -7.446 16.344 1.00 0.00 H new ATOM 0 HB2 TYR A 510 101.444 -8.281 13.754 1.00 0.00 H new ATOM 0 HB3 TYR A 510 99.774 -8.789 13.921 1.00 0.00 H new ATOM 0 HD1 TYR A 510 98.737 -7.270 12.392 1.00 0.00 H new ATOM 0 HD2 TYR A 510 101.271 -5.755 15.460 1.00 0.00 H new ATOM 0 HE1 TYR A 510 98.000 -4.988 11.868 1.00 0.00 H new ATOM 0 HE2 TYR A 510 100.535 -3.469 14.943 1.00 0.00 H new ATOM 0 HH TYR A 510 97.833 -2.787 13.037 1.00 0.00 H new ATOM 1149 N THR A 511 100.574 -10.604 16.575 1.00 0.00 N ATOM 1150 CA THR A 511 99.859 -11.783 17.033 1.00 0.00 C ATOM 1151 C THR A 511 98.912 -11.394 18.157 1.00 0.00 C ATOM 1152 O THR A 511 97.812 -11.934 18.283 1.00 0.00 O ATOM 1153 CB THR A 511 100.822 -12.875 17.530 1.00 0.00 C ATOM 1154 OG1 THR A 511 101.525 -12.456 18.706 1.00 0.00 O ATOM 1155 CG2 THR A 511 101.843 -13.224 16.459 1.00 0.00 C ATOM 0 H THR A 511 101.589 -10.699 16.550 1.00 0.00 H new ATOM 0 HA THR A 511 99.300 -12.187 16.189 1.00 0.00 H new ATOM 0 HB THR A 511 100.215 -13.750 17.764 1.00 0.00 H new ATOM 0 HG1 THR A 511 102.128 -13.171 18.999 1.00 0.00 H new ATOM 0 HG21 THR A 511 102.513 -13.998 16.833 1.00 0.00 H new ATOM 0 HG22 THR A 511 101.328 -13.589 15.570 1.00 0.00 H new ATOM 0 HG23 THR A 511 102.421 -12.336 16.204 1.00 0.00 H new ATOM 1163 N GLU A 512 99.363 -10.450 18.975 1.00 0.00 N ATOM 1164 CA GLU A 512 98.582 -9.969 20.108 1.00 0.00 C ATOM 1165 C GLU A 512 97.223 -9.444 19.657 1.00 0.00 C ATOM 1166 O GLU A 512 96.241 -9.531 20.395 1.00 0.00 O ATOM 1167 CB GLU A 512 99.346 -8.873 20.851 1.00 0.00 C ATOM 1168 CG GLU A 512 98.743 -8.519 22.201 1.00 0.00 C ATOM 1169 CD GLU A 512 99.776 -8.002 23.184 1.00 0.00 C ATOM 1170 OE1 GLU A 512 100.511 -8.829 23.762 1.00 0.00 O ATOM 1171 OE2 GLU A 512 99.848 -6.770 23.376 1.00 0.00 O ATOM 0 H GLU A 512 100.273 -10.000 18.873 1.00 0.00 H new ATOM 0 HA GLU A 512 98.416 -10.809 20.782 1.00 0.00 H new ATOM 0 HB2 GLU A 512 100.377 -9.195 20.996 1.00 0.00 H new ATOM 0 HB3 GLU A 512 99.376 -7.978 20.230 1.00 0.00 H new ATOM 0 HG2 GLU A 512 97.969 -7.764 22.062 1.00 0.00 H new ATOM 0 HG3 GLU A 512 98.257 -9.400 22.620 1.00 0.00 H new ATOM 1178 N ILE A 513 97.169 -8.898 18.447 1.00 0.00 N ATOM 1179 CA ILE A 513 95.924 -8.361 17.915 1.00 0.00 C ATOM 1180 C ILE A 513 94.780 -9.350 18.109 1.00 0.00 C ATOM 1181 O ILE A 513 93.690 -8.976 18.543 1.00 0.00 O ATOM 1182 CB ILE A 513 96.045 -8.022 16.415 1.00 0.00 C ATOM 1183 CG1 ILE A 513 97.209 -7.058 16.178 1.00 0.00 C ATOM 1184 CG2 ILE A 513 94.742 -7.425 15.903 1.00 0.00 C ATOM 1185 CD1 ILE A 513 96.870 -5.615 16.486 1.00 0.00 C ATOM 0 H ILE A 513 97.969 -8.816 17.820 1.00 0.00 H new ATOM 0 HA ILE A 513 95.714 -7.445 18.466 1.00 0.00 H new ATOM 0 HB ILE A 513 96.244 -8.941 15.864 1.00 0.00 H new ATOM 0 HG12 ILE A 513 98.055 -7.364 16.794 1.00 0.00 H new ATOM 0 HG13 ILE A 513 97.528 -7.134 15.138 1.00 0.00 H new ATOM 0 HG21 ILE A 513 94.841 -7.190 14.843 1.00 0.00 H new ATOM 0 HG22 ILE A 513 93.934 -8.143 16.042 1.00 0.00 H new ATOM 0 HG23 ILE A 513 94.517 -6.514 16.457 1.00 0.00 H new ATOM 0 HD11 ILE A 513 97.741 -4.988 16.296 1.00 0.00 H new ATOM 0 HD12 ILE A 513 96.045 -5.292 15.852 1.00 0.00 H new ATOM 0 HD13 ILE A 513 96.580 -5.525 17.533 1.00 0.00 H new ATOM 1197 N ASN A 514 95.034 -10.614 17.784 1.00 0.00 N ATOM 1198 CA ASN A 514 94.025 -11.659 17.922 1.00 0.00 C ATOM 1199 C ASN A 514 93.335 -11.580 19.281 1.00 0.00 C ATOM 1200 O ASN A 514 92.156 -11.911 19.408 1.00 0.00 O ATOM 1201 CB ASN A 514 94.664 -13.037 17.739 1.00 0.00 C ATOM 1202 CG ASN A 514 93.659 -14.162 17.879 1.00 0.00 C ATOM 1203 OD1 ASN A 514 93.942 -15.191 18.495 1.00 0.00 O ATOM 1204 ND2 ASN A 514 92.476 -13.975 17.306 1.00 0.00 N ATOM 0 H ASN A 514 95.931 -10.940 17.423 1.00 0.00 H new ATOM 0 HA ASN A 514 93.273 -11.507 17.148 1.00 0.00 H new ATOM 0 HB2 ASN A 514 95.131 -13.090 16.755 1.00 0.00 H new ATOM 0 HB3 ASN A 514 95.457 -13.168 18.476 1.00 0.00 H new ATOM 0 HD21 ASN A 514 91.760 -14.699 17.366 1.00 0.00 H new ATOM 0 HD22 ASN A 514 92.283 -13.107 16.805 1.00 0.00 H new ATOM 1211 N LYS A 515 94.075 -11.139 20.294 1.00 0.00 N ATOM 1212 CA LYS A 515 93.531 -11.014 21.641 1.00 0.00 C ATOM 1213 C LYS A 515 92.190 -10.287 21.618 1.00 0.00 C ATOM 1214 O LYS A 515 91.334 -10.511 22.473 1.00 0.00 O ATOM 1215 CB LYS A 515 94.513 -10.264 22.542 1.00 0.00 C ATOM 1216 CG LYS A 515 95.714 -11.097 22.960 1.00 0.00 C ATOM 1217 CD LYS A 515 95.763 -11.283 24.466 1.00 0.00 C ATOM 1218 CE LYS A 515 95.384 -12.700 24.866 1.00 0.00 C ATOM 1219 NZ LYS A 515 93.973 -12.789 25.331 1.00 0.00 N ATOM 0 H LYS A 515 95.053 -10.862 20.207 1.00 0.00 H new ATOM 0 HA LYS A 515 93.376 -12.017 22.039 1.00 0.00 H new ATOM 0 HB2 LYS A 515 94.863 -9.373 22.021 1.00 0.00 H new ATOM 0 HB3 LYS A 515 93.988 -9.925 23.435 1.00 0.00 H new ATOM 0 HG2 LYS A 515 95.670 -12.071 22.473 1.00 0.00 H new ATOM 0 HG3 LYS A 515 96.630 -10.613 22.622 1.00 0.00 H new ATOM 0 HD2 LYS A 515 96.766 -11.057 24.829 1.00 0.00 H new ATOM 0 HD3 LYS A 515 95.085 -10.576 24.943 1.00 0.00 H new ATOM 0 HE2 LYS A 515 95.529 -13.368 24.017 1.00 0.00 H new ATOM 0 HE3 LYS A 515 96.049 -13.043 25.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 515 93.755 -13.771 25.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 515 93.840 -12.172 26.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 515 93.336 -12.486 24.567 1.00 0.00 H new ATOM 1233 N LYS A 516 92.018 -9.419 20.628 1.00 0.00 N ATOM 1234 CA LYS A 516 90.784 -8.656 20.481 1.00 0.00 C ATOM 1235 C LYS A 516 90.128 -8.955 19.138 1.00 0.00 C ATOM 1236 O LYS A 516 88.907 -9.090 19.046 1.00 0.00 O ATOM 1237 CB LYS A 516 91.070 -7.159 20.605 1.00 0.00 C ATOM 1238 CG LYS A 516 89.817 -6.308 20.728 1.00 0.00 C ATOM 1239 CD LYS A 516 89.340 -6.224 22.169 1.00 0.00 C ATOM 1240 CE LYS A 516 88.379 -7.354 22.505 1.00 0.00 C ATOM 1241 NZ LYS A 516 88.611 -7.891 23.874 1.00 0.00 N ATOM 0 H LYS A 516 92.720 -9.226 19.913 1.00 0.00 H new ATOM 0 HA LYS A 516 90.099 -8.951 21.276 1.00 0.00 H new ATOM 0 HB2 LYS A 516 91.701 -6.989 21.477 1.00 0.00 H new ATOM 0 HB3 LYS A 516 91.637 -6.832 19.733 1.00 0.00 H new ATOM 0 HG2 LYS A 516 90.019 -5.305 20.351 1.00 0.00 H new ATOM 0 HG3 LYS A 516 89.027 -6.729 20.106 1.00 0.00 H new ATOM 0 HD2 LYS A 516 90.198 -6.263 22.840 1.00 0.00 H new ATOM 0 HD3 LYS A 516 88.848 -5.265 22.335 1.00 0.00 H new ATOM 0 HE2 LYS A 516 87.353 -6.994 22.425 1.00 0.00 H new ATOM 0 HE3 LYS A 516 88.493 -8.156 21.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 87.936 -8.659 24.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 89.582 -8.258 23.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 88.477 -7.132 24.572 1.00 0.00 H new ATOM 1255 N HIS A 517 90.951 -9.060 18.102 1.00 0.00 N ATOM 1256 CA HIS A 517 90.464 -9.346 16.758 1.00 0.00 C ATOM 1257 C HIS A 517 91.525 -10.089 15.951 1.00 0.00 C ATOM 1258 O HIS A 517 92.694 -9.700 15.941 1.00 0.00 O ATOM 1259 CB HIS A 517 90.071 -8.050 16.046 1.00 0.00 C ATOM 1260 CG HIS A 517 89.409 -7.051 16.945 1.00 0.00 C ATOM 1261 ND1 HIS A 517 88.042 -6.968 17.101 1.00 0.00 N ATOM 1262 CD2 HIS A 517 89.936 -6.090 17.740 1.00 0.00 C ATOM 1263 CE1 HIS A 517 87.755 -5.998 17.952 1.00 0.00 C ATOM 1264 NE2 HIS A 517 88.886 -5.450 18.354 1.00 0.00 N ATOM 0 H HIS A 517 91.963 -8.951 18.167 1.00 0.00 H new ATOM 0 HA HIS A 517 89.582 -9.981 16.840 1.00 0.00 H new ATOM 0 HB2 HIS A 517 90.963 -7.600 15.610 1.00 0.00 H new ATOM 0 HB3 HIS A 517 89.398 -8.287 15.222 1.00 0.00 H new ATOM 0 HD1 HIS A 517 87.358 -7.563 16.633 1.00 0.00 H new ATOM 0 HD2 HIS A 517 90.985 -5.868 17.868 1.00 0.00 H new ATOM 0 HE1 HIS A 517 86.764 -5.704 18.265 1.00 0.00 H new ATOM 1273 N CYS A 518 91.116 -11.160 15.281 1.00 0.00 N ATOM 1274 CA CYS A 518 92.037 -11.957 14.477 1.00 0.00 C ATOM 1275 C CYS A 518 92.505 -11.182 13.248 1.00 0.00 C ATOM 1276 O CYS A 518 91.767 -11.040 12.273 1.00 0.00 O ATOM 1277 CB CYS A 518 91.368 -13.265 14.048 1.00 0.00 C ATOM 1278 SG CYS A 518 92.261 -14.751 14.560 1.00 0.00 S ATOM 0 H CYS A 518 90.153 -11.497 15.278 1.00 0.00 H new ATOM 0 HA CYS A 518 92.909 -12.185 15.089 1.00 0.00 H new ATOM 0 HB2 CYS A 518 90.360 -13.298 14.462 1.00 0.00 H new ATOM 0 HB3 CYS A 518 91.267 -13.270 12.963 1.00 0.00 H new ATOM 0 HG CYS A 518 91.618 -15.805 14.154 1.00 0.00 H new ATOM 1284 N TRP A 519 93.738 -10.686 13.301 1.00 0.00 N ATOM 1285 CA TRP A 519 94.306 -9.926 12.191 1.00 0.00 C ATOM 1286 C TRP A 519 95.373 -10.730 11.466 1.00 0.00 C ATOM 1287 O TRP A 519 96.090 -11.529 12.069 1.00 0.00 O ATOM 1288 CB TRP A 519 94.895 -8.609 12.687 1.00 0.00 C ATOM 1289 CG TRP A 519 94.572 -7.457 11.791 1.00 0.00 C ATOM 1290 CD1 TRP A 519 93.880 -7.507 10.617 1.00 0.00 C ATOM 1291 CD2 TRP A 519 94.925 -6.085 11.994 1.00 0.00 C ATOM 1292 NE1 TRP A 519 93.778 -6.256 10.074 1.00 0.00 N ATOM 1293 CE2 TRP A 519 94.411 -5.358 10.903 1.00 0.00 C ATOM 1294 CE3 TRP A 519 95.624 -5.400 12.992 1.00 0.00 C ATOM 1295 CZ2 TRP A 519 94.576 -3.978 10.786 1.00 0.00 C ATOM 1296 CZ3 TRP A 519 95.785 -4.034 12.875 1.00 0.00 C ATOM 1297 CH2 TRP A 519 95.263 -3.335 11.781 1.00 0.00 C ATOM 0 H TRP A 519 94.363 -10.796 14.100 1.00 0.00 H new ATOM 0 HA TRP A 519 93.500 -9.711 11.489 1.00 0.00 H new ATOM 0 HB2 TRP A 519 94.518 -8.402 13.688 1.00 0.00 H new ATOM 0 HB3 TRP A 519 95.977 -8.708 12.768 1.00 0.00 H new ATOM 0 HD1 TRP A 519 93.471 -8.406 10.179 1.00 0.00 H new ATOM 0 HE1 TRP A 519 93.309 -6.026 9.198 1.00 0.00 H new ATOM 0 HE3 TRP A 519 96.031 -5.930 13.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 94.177 -3.436 9.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 96.323 -3.496 13.641 1.00 0.00 H new ATOM 0 HH2 TRP A 519 95.405 -2.266 11.720 1.00 0.00 H new ATOM 1308 N LYS A 520 95.454 -10.516 10.162 1.00 0.00 N ATOM 1309 CA LYS A 520 96.413 -11.217 9.325 1.00 0.00 C ATOM 1310 C LYS A 520 97.518 -10.286 8.841 1.00 0.00 C ATOM 1311 O LYS A 520 97.249 -9.179 8.369 1.00 0.00 O ATOM 1312 CB LYS A 520 95.686 -11.814 8.132 1.00 0.00 C ATOM 1313 CG LYS A 520 94.291 -12.315 8.469 1.00 0.00 C ATOM 1314 CD LYS A 520 94.339 -13.501 9.419 1.00 0.00 C ATOM 1315 CE LYS A 520 93.499 -13.254 10.661 1.00 0.00 C ATOM 1316 NZ LYS A 520 92.273 -12.466 10.356 1.00 0.00 N ATOM 0 H LYS A 520 94.861 -9.857 9.658 1.00 0.00 H new ATOM 0 HA LYS A 520 96.878 -12.005 9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 520 95.615 -11.063 7.345 1.00 0.00 H new ATOM 0 HB3 LYS A 520 96.275 -12.640 7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 520 93.713 -11.509 8.921 1.00 0.00 H new ATOM 0 HG3 LYS A 520 93.775 -12.602 7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 520 93.979 -14.393 8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 520 95.372 -13.694 9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 520 93.216 -14.209 11.103 1.00 0.00 H new ATOM 0 HE3 LYS A 520 94.096 -12.724 11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 92.375 -11.503 10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 92.138 -12.419 9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 91.448 -12.925 10.793 1.00 0.00 H new ATOM 1330 N LEU A 521 98.759 -10.747 8.950 1.00 0.00 N ATOM 1331 CA LEU A 521 99.907 -9.963 8.514 1.00 0.00 C ATOM 1332 C LEU A 521 100.901 -10.837 7.758 1.00 0.00 C ATOM 1333 O LEU A 521 101.409 -11.823 8.293 1.00 0.00 O ATOM 1334 CB LEU A 521 100.586 -9.311 9.717 1.00 0.00 C ATOM 1335 CG LEU A 521 99.626 -8.777 10.779 1.00 0.00 C ATOM 1336 CD1 LEU A 521 98.581 -7.873 10.143 1.00 0.00 C ATOM 1337 CD2 LEU A 521 98.960 -9.929 11.515 1.00 0.00 C ATOM 0 H LEU A 521 98.995 -11.661 9.337 1.00 0.00 H new ATOM 0 HA LEU A 521 99.555 -9.182 7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 521 101.251 -10.040 10.181 1.00 0.00 H new ATOM 0 HB3 LEU A 521 101.210 -8.490 9.364 1.00 0.00 H new ATOM 0 HG LEU A 521 100.195 -8.190 11.500 1.00 0.00 H new ATOM 0 HD11 LEU A 521 97.905 -7.501 10.913 1.00 0.00 H new ATOM 0 HD12 LEU A 521 99.075 -7.032 9.656 1.00 0.00 H new ATOM 0 HD13 LEU A 521 98.013 -8.438 9.403 1.00 0.00 H new ATOM 0 HD21 LEU A 521 98.279 -9.534 12.269 1.00 0.00 H new ATOM 0 HD22 LEU A 521 98.402 -10.540 10.806 1.00 0.00 H new ATOM 0 HD23 LEU A 521 99.722 -10.540 11.999 1.00 0.00 H new ATOM 1349 N GLU A 522 101.173 -10.471 6.510 1.00 0.00 N ATOM 1350 CA GLU A 522 102.104 -11.227 5.681 1.00 0.00 C ATOM 1351 C GLU A 522 102.994 -10.293 4.869 1.00 0.00 C ATOM 1352 O GLU A 522 102.529 -9.291 4.327 1.00 0.00 O ATOM 1353 CB GLU A 522 101.339 -12.162 4.744 1.00 0.00 C ATOM 1354 CG GLU A 522 102.024 -13.501 4.525 1.00 0.00 C ATOM 1355 CD GLU A 522 101.336 -14.340 3.466 1.00 0.00 C ATOM 1356 OE1 GLU A 522 100.474 -15.167 3.832 1.00 0.00 O ATOM 1357 OE2 GLU A 522 101.658 -14.168 2.271 1.00 0.00 O ATOM 0 H GLU A 522 100.763 -9.657 6.051 1.00 0.00 H new ATOM 0 HA GLU A 522 102.738 -11.820 6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 522 100.343 -12.336 5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 522 101.208 -11.669 3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 522 103.060 -13.332 4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 522 102.044 -14.053 5.465 1.00 0.00 H new ATOM 1364 N ILE A 523 104.275 -10.633 4.785 1.00 0.00 N ATOM 1365 CA ILE A 523 105.231 -9.829 4.034 1.00 0.00 C ATOM 1366 C ILE A 523 105.403 -10.376 2.621 1.00 0.00 C ATOM 1367 O ILE A 523 105.878 -11.496 2.431 1.00 0.00 O ATOM 1368 CB ILE A 523 106.601 -9.779 4.740 1.00 0.00 C ATOM 1369 CG1 ILE A 523 106.517 -8.888 5.981 1.00 0.00 C ATOM 1370 CG2 ILE A 523 107.678 -9.274 3.791 1.00 0.00 C ATOM 1371 CD1 ILE A 523 107.779 -8.890 6.814 1.00 0.00 C ATOM 0 H ILE A 523 104.675 -11.460 5.228 1.00 0.00 H new ATOM 0 HA ILE A 523 104.832 -8.816 3.980 1.00 0.00 H new ATOM 0 HB ILE A 523 106.871 -10.789 5.050 1.00 0.00 H new ATOM 0 HG12 ILE A 523 106.298 -7.866 5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 523 105.683 -9.219 6.600 1.00 0.00 H new ATOM 0 HG21 ILE A 523 108.636 -9.247 4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 523 107.749 -9.942 2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 523 107.421 -8.271 3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 523 107.647 -8.237 7.677 1.00 0.00 H new ATOM 0 HD12 ILE A 523 107.988 -9.904 7.155 1.00 0.00 H new ATOM 0 HD13 ILE A 523 108.613 -8.531 6.212 1.00 0.00 H new ATOM 1383 N LEU A 524 105.008 -9.580 1.634 1.00 0.00 N ATOM 1384 CA LEU A 524 105.111 -9.984 0.237 1.00 0.00 C ATOM 1385 C LEU A 524 106.553 -10.321 -0.132 1.00 0.00 C ATOM 1386 O LEU A 524 107.490 -9.661 0.317 1.00 0.00 O ATOM 1387 CB LEU A 524 104.580 -8.881 -0.675 1.00 0.00 C ATOM 1388 CG LEU A 524 103.308 -9.236 -1.446 1.00 0.00 C ATOM 1389 CD1 LEU A 524 102.362 -10.046 -0.572 1.00 0.00 C ATOM 1390 CD2 LEU A 524 102.624 -7.976 -1.951 1.00 0.00 C ATOM 0 H LEU A 524 104.613 -8.650 1.776 1.00 0.00 H new ATOM 0 HA LEU A 524 104.505 -10.880 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 524 104.386 -7.994 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 524 105.358 -8.616 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 524 103.585 -9.845 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 524 101.463 -10.289 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 524 102.854 -10.967 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 524 102.091 -9.463 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 524 101.721 -8.247 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 524 102.360 -7.341 -1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 524 103.300 -7.435 -2.613 1.00 0.00 H new ATOM 1402 N SER A 525 106.721 -11.362 -0.940 1.00 0.00 N ATOM 1403 CA SER A 525 108.046 -11.803 -1.361 1.00 0.00 C ATOM 1404 C SER A 525 108.021 -12.335 -2.790 1.00 0.00 C ATOM 1405 O SER A 525 106.963 -12.674 -3.320 1.00 0.00 O ATOM 1406 CB SER A 525 108.575 -12.876 -0.409 1.00 0.00 C ATOM 1407 OG SER A 525 109.989 -12.949 -0.459 1.00 0.00 O ATOM 0 H SER A 525 105.954 -11.918 -1.318 1.00 0.00 H new ATOM 0 HA SER A 525 108.713 -10.941 -1.331 1.00 0.00 H new ATOM 0 HB2 SER A 525 108.255 -12.653 0.609 1.00 0.00 H new ATOM 0 HB3 SER A 525 108.148 -13.844 -0.673 1.00 0.00 H new ATOM 0 HG SER A 525 110.303 -13.641 0.160 1.00 0.00 H new ATOM 1413 N GLY A 526 109.198 -12.411 -3.402 1.00 0.00 N ATOM 1414 CA GLY A 526 109.298 -12.909 -4.759 1.00 0.00 C ATOM 1415 C GLY A 526 108.307 -12.251 -5.695 1.00 0.00 C ATOM 1416 O GLY A 526 107.867 -11.126 -5.454 1.00 0.00 O ATOM 0 H GLY A 526 110.085 -12.136 -2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 526 110.309 -12.741 -5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 526 109.133 -13.986 -4.760 1.00 0.00 H new ATOM 1420 N ASP A 527 107.954 -12.952 -6.766 1.00 0.00 N ATOM 1421 CA ASP A 527 107.010 -12.425 -7.741 1.00 0.00 C ATOM 1422 C ASP A 527 105.840 -11.737 -7.046 1.00 0.00 C ATOM 1423 O ASP A 527 105.258 -10.794 -7.581 1.00 0.00 O ATOM 1424 CB ASP A 527 106.492 -13.548 -8.642 1.00 0.00 C ATOM 1425 CG ASP A 527 107.478 -13.914 -9.734 1.00 0.00 C ATOM 1426 OD1 ASP A 527 108.210 -14.912 -9.562 1.00 0.00 O ATOM 1427 OD2 ASP A 527 107.518 -13.205 -10.761 1.00 0.00 O ATOM 0 H ASP A 527 108.307 -13.885 -6.980 1.00 0.00 H new ATOM 0 HA ASP A 527 107.532 -11.689 -8.353 1.00 0.00 H new ATOM 0 HB2 ASP A 527 106.282 -14.429 -8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 527 105.549 -13.241 -9.095 1.00 0.00 H new ATOM 1432 N HIS A 528 105.498 -12.212 -5.850 1.00 0.00 N ATOM 1433 CA HIS A 528 104.397 -11.628 -5.094 1.00 0.00 C ATOM 1434 C HIS A 528 104.709 -10.184 -4.717 1.00 0.00 C ATOM 1435 O HIS A 528 103.885 -9.288 -4.908 1.00 0.00 O ATOM 1436 CB HIS A 528 104.138 -12.449 -3.829 1.00 0.00 C ATOM 1437 CG HIS A 528 102.688 -12.693 -3.551 1.00 0.00 C ATOM 1438 ND1 HIS A 528 102.227 -13.203 -2.356 1.00 0.00 N ATOM 1439 CD2 HIS A 528 101.591 -12.494 -4.321 1.00 0.00 C ATOM 1440 CE1 HIS A 528 100.911 -13.310 -2.402 1.00 0.00 C ATOM 1441 NE2 HIS A 528 100.501 -12.887 -3.583 1.00 0.00 N ATOM 0 H HIS A 528 105.964 -12.993 -5.388 1.00 0.00 H new ATOM 0 HA HIS A 528 103.505 -11.639 -5.720 1.00 0.00 H new ATOM 0 HB2 HIS A 528 104.647 -13.409 -3.920 1.00 0.00 H new ATOM 0 HB3 HIS A 528 104.580 -11.933 -2.976 1.00 0.00 H new ATOM 0 HD2 HIS A 528 101.576 -12.100 -5.327 1.00 0.00 H new ATOM 0 HE1 HIS A 528 100.279 -13.680 -1.609 1.00 0.00 H new ATOM 0 HE2 HIS A 528 99.531 -12.857 -3.897 1.00 0.00 H new ATOM 1450 N GLU A 529 105.912 -9.963 -4.193 1.00 0.00 N ATOM 1451 CA GLU A 529 106.339 -8.626 -3.804 1.00 0.00 C ATOM 1452 C GLU A 529 106.526 -7.746 -5.032 1.00 0.00 C ATOM 1453 O GLU A 529 106.092 -6.595 -5.061 1.00 0.00 O ATOM 1454 CB GLU A 529 107.643 -8.699 -3.002 1.00 0.00 C ATOM 1455 CG GLU A 529 108.468 -7.422 -3.052 1.00 0.00 C ATOM 1456 CD GLU A 529 109.476 -7.333 -1.924 1.00 0.00 C ATOM 1457 OE1 GLU A 529 109.106 -7.642 -0.772 1.00 0.00 O ATOM 1458 OE2 GLU A 529 110.636 -6.956 -2.193 1.00 0.00 O ATOM 0 H GLU A 529 106.606 -10.693 -4.029 1.00 0.00 H new ATOM 0 HA GLU A 529 105.564 -8.185 -3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 529 107.407 -8.927 -1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 529 108.246 -9.525 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 529 108.991 -7.370 -4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 529 107.801 -6.561 -3.007 1.00 0.00 H new ATOM 1465 N GLN A 530 107.182 -8.302 -6.044 1.00 0.00 N ATOM 1466 CA GLN A 530 107.441 -7.576 -7.282 1.00 0.00 C ATOM 1467 C GLN A 530 106.139 -7.208 -7.986 1.00 0.00 C ATOM 1468 O GLN A 530 106.001 -6.107 -8.520 1.00 0.00 O ATOM 1469 CB GLN A 530 108.318 -8.415 -8.213 1.00 0.00 C ATOM 1470 CG GLN A 530 108.488 -7.810 -9.597 1.00 0.00 C ATOM 1471 CD GLN A 530 108.208 -8.805 -10.706 1.00 0.00 C ATOM 1472 OE1 GLN A 530 109.075 -9.595 -11.080 1.00 0.00 O ATOM 1473 NE2 GLN A 530 106.992 -8.775 -11.238 1.00 0.00 N ATOM 0 H GLN A 530 107.545 -9.255 -6.031 1.00 0.00 H new ATOM 0 HA GLN A 530 107.965 -6.654 -7.029 1.00 0.00 H new ATOM 0 HB2 GLN A 530 109.300 -8.541 -7.758 1.00 0.00 H new ATOM 0 HB3 GLN A 530 107.882 -9.409 -8.311 1.00 0.00 H new ATOM 0 HG2 GLN A 530 107.818 -6.957 -9.701 1.00 0.00 H new ATOM 0 HG3 GLN A 530 109.505 -7.431 -9.702 1.00 0.00 H new ATOM 0 HE21 GLN A 530 106.303 -8.104 -10.898 1.00 0.00 H new ATOM 0 HE22 GLN A 530 106.747 -9.423 -11.986 1.00 0.00 H new ATOM 1482 N ARG A 531 105.187 -8.134 -7.987 1.00 0.00 N ATOM 1483 CA ARG A 531 103.900 -7.905 -8.631 1.00 0.00 C ATOM 1484 C ARG A 531 103.175 -6.719 -8.003 1.00 0.00 C ATOM 1485 O ARG A 531 102.777 -5.784 -8.699 1.00 0.00 O ATOM 1486 CB ARG A 531 103.029 -9.158 -8.537 1.00 0.00 C ATOM 1487 CG ARG A 531 101.885 -9.179 -9.536 1.00 0.00 C ATOM 1488 CD ARG A 531 100.627 -8.558 -8.953 1.00 0.00 C ATOM 1489 NE ARG A 531 99.606 -9.561 -8.663 1.00 0.00 N ATOM 1490 CZ ARG A 531 99.023 -10.308 -9.595 1.00 0.00 C ATOM 1491 NH1 ARG A 531 99.361 -10.167 -10.869 1.00 0.00 N ATOM 1492 NH2 ARG A 531 98.101 -11.197 -9.253 1.00 0.00 N ATOM 0 H ARG A 531 105.283 -9.050 -7.549 1.00 0.00 H new ATOM 0 HA ARG A 531 104.086 -7.677 -9.681 1.00 0.00 H new ATOM 0 HB2 ARG A 531 103.654 -10.037 -8.694 1.00 0.00 H new ATOM 0 HB3 ARG A 531 102.621 -9.232 -7.529 1.00 0.00 H new ATOM 0 HG2 ARG A 531 102.176 -8.637 -10.436 1.00 0.00 H new ATOM 0 HG3 ARG A 531 101.680 -10.207 -9.835 1.00 0.00 H new ATOM 0 HD2 ARG A 531 100.878 -8.021 -8.038 1.00 0.00 H new ATOM 0 HD3 ARG A 531 100.227 -7.825 -9.653 1.00 0.00 H new ATOM 0 HE ARG A 531 99.325 -9.696 -7.692 1.00 0.00 H new ATOM 0 HH11 ARG A 531 100.070 -9.484 -11.136 1.00 0.00 H new ATOM 0 HH12 ARG A 531 98.912 -10.742 -11.582 1.00 0.00 H new ATOM 0 HH21 ARG A 531 97.838 -11.308 -8.274 1.00 0.00 H new ATOM 0 HH22 ARG A 531 97.654 -11.770 -9.969 1.00 0.00 H new ATOM 1506 N TYR A 532 103.004 -6.765 -6.687 1.00 0.00 N ATOM 1507 CA TYR A 532 102.322 -5.692 -5.971 1.00 0.00 C ATOM 1508 C TYR A 532 102.985 -4.346 -6.253 1.00 0.00 C ATOM 1509 O TYR A 532 102.309 -3.345 -6.512 1.00 0.00 O ATOM 1510 CB TYR A 532 102.333 -5.985 -4.469 1.00 0.00 C ATOM 1511 CG TYR A 532 101.702 -4.903 -3.625 1.00 0.00 C ATOM 1512 CD1 TYR A 532 102.407 -3.756 -3.295 1.00 0.00 C ATOM 1513 CD2 TYR A 532 100.404 -5.035 -3.150 1.00 0.00 C ATOM 1514 CE1 TYR A 532 101.837 -2.767 -2.519 1.00 0.00 C ATOM 1515 CE2 TYR A 532 99.825 -4.049 -2.372 1.00 0.00 C ATOM 1516 CZ TYR A 532 100.548 -2.918 -2.061 1.00 0.00 C ATOM 1517 OH TYR A 532 99.980 -1.930 -1.289 1.00 0.00 O ATOM 0 H TYR A 532 103.327 -7.531 -6.095 1.00 0.00 H new ATOM 0 HA TYR A 532 101.290 -5.641 -6.318 1.00 0.00 H new ATOM 0 HB2 TYR A 532 101.809 -6.923 -4.289 1.00 0.00 H new ATOM 0 HB3 TYR A 532 103.364 -6.129 -4.145 1.00 0.00 H new ATOM 0 HD1 TYR A 532 103.419 -3.634 -3.651 1.00 0.00 H new ATOM 0 HD2 TYR A 532 99.837 -5.922 -3.392 1.00 0.00 H new ATOM 0 HE1 TYR A 532 102.400 -1.879 -2.272 1.00 0.00 H new ATOM 0 HE2 TYR A 532 98.814 -4.165 -2.011 1.00 0.00 H new ATOM 0 HH TYR A 532 99.048 -1.797 -1.562 1.00 0.00 H new ATOM 1527 N TRP A 533 104.312 -4.327 -6.222 1.00 0.00 N ATOM 1528 CA TRP A 533 105.054 -3.106 -6.492 1.00 0.00 C ATOM 1529 C TRP A 533 104.793 -2.625 -7.910 1.00 0.00 C ATOM 1530 O TRP A 533 104.616 -1.430 -8.149 1.00 0.00 O ATOM 1531 CB TRP A 533 106.546 -3.321 -6.258 1.00 0.00 C ATOM 1532 CG TRP A 533 106.943 -3.019 -4.848 1.00 0.00 C ATOM 1533 CD1 TRP A 533 107.387 -3.905 -3.911 1.00 0.00 C ATOM 1534 CD2 TRP A 533 106.905 -1.740 -4.210 1.00 0.00 C ATOM 1535 NE1 TRP A 533 107.630 -3.253 -2.728 1.00 0.00 N ATOM 1536 CE2 TRP A 533 107.343 -1.922 -2.886 1.00 0.00 C ATOM 1537 CE3 TRP A 533 106.546 -0.456 -4.631 1.00 0.00 C ATOM 1538 CZ2 TRP A 533 107.429 -0.867 -1.979 1.00 0.00 C ATOM 1539 CZ3 TRP A 533 106.633 0.589 -3.732 1.00 0.00 C ATOM 1540 CH2 TRP A 533 107.071 0.378 -2.419 1.00 0.00 C ATOM 0 H TRP A 533 104.892 -5.140 -6.014 1.00 0.00 H new ATOM 0 HA TRP A 533 104.710 -2.335 -5.803 1.00 0.00 H new ATOM 0 HB2 TRP A 533 106.805 -4.353 -6.494 1.00 0.00 H new ATOM 0 HB3 TRP A 533 107.114 -2.687 -6.938 1.00 0.00 H new ATOM 0 HD1 TRP A 533 107.527 -4.963 -4.076 1.00 0.00 H new ATOM 0 HE1 TRP A 533 107.969 -3.688 -1.870 1.00 0.00 H new ATOM 0 HE3 TRP A 533 106.207 -0.284 -5.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 107.766 -1.027 -0.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 106.359 1.585 -4.047 1.00 0.00 H new ATOM 0 HH2 TRP A 533 107.127 1.215 -1.739 1.00 0.00 H new ATOM 1551 N GLN A 534 104.751 -3.564 -8.849 1.00 0.00 N ATOM 1552 CA GLN A 534 104.489 -3.229 -10.239 1.00 0.00 C ATOM 1553 C GLN A 534 103.243 -2.361 -10.331 1.00 0.00 C ATOM 1554 O GLN A 534 103.221 -1.356 -11.042 1.00 0.00 O ATOM 1555 CB GLN A 534 104.305 -4.498 -11.070 1.00 0.00 C ATOM 1556 CG GLN A 534 105.607 -5.228 -11.365 1.00 0.00 C ATOM 1557 CD GLN A 534 106.377 -4.605 -12.513 1.00 0.00 C ATOM 1558 OE1 GLN A 534 107.330 -3.855 -12.301 1.00 0.00 O ATOM 1559 NE2 GLN A 534 105.965 -4.913 -13.737 1.00 0.00 N ATOM 0 H GLN A 534 104.895 -4.558 -8.672 1.00 0.00 H new ATOM 0 HA GLN A 534 105.342 -2.678 -10.634 1.00 0.00 H new ATOM 0 HB2 GLN A 534 103.631 -5.173 -10.542 1.00 0.00 H new ATOM 0 HB3 GLN A 534 103.822 -4.238 -12.012 1.00 0.00 H new ATOM 0 HG2 GLN A 534 106.231 -5.227 -10.471 1.00 0.00 H new ATOM 0 HG3 GLN A 534 105.390 -6.270 -11.601 1.00 0.00 H new ATOM 0 HE21 GLN A 534 105.170 -5.539 -13.865 1.00 0.00 H new ATOM 0 HE22 GLN A 534 106.443 -4.523 -14.549 1.00 0.00 H new ATOM 1568 N LYS A 535 102.209 -2.753 -9.594 1.00 0.00 N ATOM 1569 CA LYS A 535 100.960 -2.007 -9.575 1.00 0.00 C ATOM 1570 C LYS A 535 101.197 -0.605 -9.017 1.00 0.00 C ATOM 1571 O LYS A 535 100.646 0.374 -9.521 1.00 0.00 O ATOM 1572 CB LYS A 535 99.908 -2.758 -8.747 1.00 0.00 C ATOM 1573 CG LYS A 535 99.010 -1.862 -7.908 1.00 0.00 C ATOM 1574 CD LYS A 535 99.664 -1.508 -6.582 1.00 0.00 C ATOM 1575 CE LYS A 535 98.846 -2.014 -5.406 1.00 0.00 C ATOM 1576 NZ LYS A 535 97.898 -0.982 -4.904 1.00 0.00 N ATOM 0 H LYS A 535 102.213 -3.584 -9.002 1.00 0.00 H new ATOM 0 HA LYS A 535 100.585 -1.911 -10.594 1.00 0.00 H new ATOM 0 HB2 LYS A 535 99.285 -3.346 -9.421 1.00 0.00 H new ATOM 0 HB3 LYS A 535 100.417 -3.461 -8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 535 98.786 -0.949 -8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 535 98.061 -2.365 -7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 535 100.665 -1.938 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 535 99.778 -0.427 -6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 535 98.290 -2.902 -5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 535 99.516 -2.314 -4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 97.359 -1.367 -4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 98.430 -0.144 -4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 97.242 -0.714 -5.665 1.00 0.00 H new ATOM 1590 N ILE A 536 102.029 -0.513 -7.980 1.00 0.00 N ATOM 1591 CA ILE A 536 102.343 0.777 -7.373 1.00 0.00 C ATOM 1592 C ILE A 536 103.078 1.677 -8.358 1.00 0.00 C ATOM 1593 O ILE A 536 102.559 2.709 -8.786 1.00 0.00 O ATOM 1594 CB ILE A 536 103.225 0.629 -6.117 1.00 0.00 C ATOM 1595 CG1 ILE A 536 102.545 -0.255 -5.073 1.00 0.00 C ATOM 1596 CG2 ILE A 536 103.538 1.996 -5.529 1.00 0.00 C ATOM 1597 CD1 ILE A 536 103.367 -0.425 -3.814 1.00 0.00 C ATOM 0 H ILE A 536 102.494 -1.311 -7.546 1.00 0.00 H new ATOM 0 HA ILE A 536 101.388 1.220 -7.091 1.00 0.00 H new ATOM 0 HB ILE A 536 104.159 0.150 -6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 536 101.579 0.177 -4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 536 102.349 -1.235 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 536 104.161 1.877 -4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 536 104.068 2.597 -6.268 1.00 0.00 H new ATOM 0 HG23 ILE A 536 102.609 2.495 -5.255 1.00 0.00 H new ATOM 0 HD11 ILE A 536 102.830 -1.063 -3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 536 104.323 -0.885 -4.063 1.00 0.00 H new ATOM 0 HD13 ILE A 536 103.541 0.550 -3.358 1.00 0.00 H new ATOM 1609 N LEU A 537 104.297 1.276 -8.708 1.00 0.00 N ATOM 1610 CA LEU A 537 105.121 2.040 -9.637 1.00 0.00 C ATOM 1611 C LEU A 537 104.334 2.414 -10.887 1.00 0.00 C ATOM 1612 O LEU A 537 104.364 3.561 -11.331 1.00 0.00 O ATOM 1613 CB LEU A 537 106.363 1.235 -10.026 1.00 0.00 C ATOM 1614 CG LEU A 537 107.584 1.451 -9.131 1.00 0.00 C ATOM 1615 CD1 LEU A 537 108.523 0.257 -9.212 1.00 0.00 C ATOM 1616 CD2 LEU A 537 108.308 2.731 -9.518 1.00 0.00 C ATOM 0 H LEU A 537 104.736 0.424 -8.360 1.00 0.00 H new ATOM 0 HA LEU A 537 105.429 2.959 -9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 537 106.108 0.175 -10.016 1.00 0.00 H new ATOM 0 HB3 LEU A 537 106.634 1.488 -11.051 1.00 0.00 H new ATOM 0 HG LEU A 537 107.244 1.548 -8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 537 109.386 0.429 -8.569 1.00 0.00 H new ATOM 0 HD12 LEU A 537 107.999 -0.641 -8.884 1.00 0.00 H new ATOM 0 HD13 LEU A 537 108.858 0.127 -10.241 1.00 0.00 H new ATOM 0 HD21 LEU A 537 109.174 2.869 -8.871 1.00 0.00 H new ATOM 0 HD22 LEU A 537 108.637 2.664 -10.555 1.00 0.00 H new ATOM 0 HD23 LEU A 537 107.633 3.579 -9.406 1.00 0.00 H new ATOM 1628 N VAL A 538 103.634 1.438 -11.454 1.00 0.00 N ATOM 1629 CA VAL A 538 102.847 1.670 -12.656 1.00 0.00 C ATOM 1630 C VAL A 538 101.714 2.658 -12.395 1.00 0.00 C ATOM 1631 O VAL A 538 101.419 3.510 -13.232 1.00 0.00 O ATOM 1632 CB VAL A 538 102.251 0.357 -13.196 1.00 0.00 C ATOM 1633 CG1 VAL A 538 101.314 0.635 -14.360 1.00 0.00 C ATOM 1634 CG2 VAL A 538 103.359 -0.600 -13.610 1.00 0.00 C ATOM 0 H VAL A 538 103.596 0.482 -11.101 1.00 0.00 H new ATOM 0 HA VAL A 538 103.525 2.090 -13.400 1.00 0.00 H new ATOM 0 HB VAL A 538 101.674 -0.114 -12.400 1.00 0.00 H new ATOM 0 HG11 VAL A 538 100.903 -0.305 -14.728 1.00 0.00 H new ATOM 0 HG12 VAL A 538 100.502 1.281 -14.027 1.00 0.00 H new ATOM 0 HG13 VAL A 538 101.865 1.128 -15.161 1.00 0.00 H new ATOM 0 HG21 VAL A 538 102.920 -1.523 -13.989 1.00 0.00 H new ATOM 0 HG22 VAL A 538 103.965 -0.139 -14.390 1.00 0.00 H new ATOM 0 HG23 VAL A 538 103.987 -0.825 -12.748 1.00 0.00 H new ATOM 1644 N ASP A 539 101.083 2.542 -11.230 1.00 0.00 N ATOM 1645 CA ASP A 539 99.988 3.434 -10.871 1.00 0.00 C ATOM 1646 C ASP A 539 100.484 4.869 -10.725 1.00 0.00 C ATOM 1647 O ASP A 539 99.811 5.816 -11.134 1.00 0.00 O ATOM 1648 CB ASP A 539 99.332 2.975 -9.568 1.00 0.00 C ATOM 1649 CG ASP A 539 98.357 3.998 -9.020 1.00 0.00 C ATOM 1650 OD1 ASP A 539 97.630 4.616 -9.825 1.00 0.00 O ATOM 1651 OD2 ASP A 539 98.319 4.180 -7.785 1.00 0.00 O ATOM 0 H ASP A 539 101.310 1.843 -10.523 1.00 0.00 H new ATOM 0 HA ASP A 539 99.249 3.401 -11.671 1.00 0.00 H new ATOM 0 HB2 ASP A 539 98.809 2.034 -9.740 1.00 0.00 H new ATOM 0 HB3 ASP A 539 100.105 2.779 -8.825 1.00 0.00 H new ATOM 1656 N ARG A 540 101.670 5.021 -10.143 1.00 0.00 N ATOM 1657 CA ARG A 540 102.258 6.341 -9.948 1.00 0.00 C ATOM 1658 C ARG A 540 102.539 7.011 -11.287 1.00 0.00 C ATOM 1659 O ARG A 540 102.296 8.205 -11.460 1.00 0.00 O ATOM 1660 CB ARG A 540 103.549 6.230 -9.134 1.00 0.00 C ATOM 1661 CG ARG A 540 103.395 5.416 -7.859 1.00 0.00 C ATOM 1662 CD ARG A 540 103.869 6.190 -6.640 1.00 0.00 C ATOM 1663 NE ARG A 540 105.298 6.014 -6.402 1.00 0.00 N ATOM 1664 CZ ARG A 540 105.897 6.321 -5.256 1.00 0.00 C ATOM 1665 NH1 ARG A 540 105.194 6.824 -4.251 1.00 0.00 N ATOM 1666 NH2 ARG A 540 107.203 6.130 -5.115 1.00 0.00 N ATOM 0 H ARG A 540 102.241 4.249 -9.799 1.00 0.00 H new ATOM 0 HA ARG A 540 101.544 6.955 -9.399 1.00 0.00 H new ATOM 0 HB2 ARG A 540 104.322 5.776 -9.754 1.00 0.00 H new ATOM 0 HB3 ARG A 540 103.894 7.231 -8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 540 102.349 5.137 -7.729 1.00 0.00 H new ATOM 0 HG3 ARG A 540 103.964 4.490 -7.947 1.00 0.00 H new ATOM 0 HD2 ARG A 540 103.652 7.249 -6.776 1.00 0.00 H new ATOM 0 HD3 ARG A 540 103.312 5.861 -5.763 1.00 0.00 H new ATOM 0 HE ARG A 540 105.869 5.634 -7.157 1.00 0.00 H new ATOM 0 HH11 ARG A 540 104.191 6.976 -4.356 1.00 0.00 H new ATOM 0 HH12 ARG A 540 105.656 7.059 -3.373 1.00 0.00 H new ATOM 0 HH21 ARG A 540 107.749 5.747 -5.887 1.00 0.00 H new ATOM 0 HH22 ARG A 540 107.661 6.366 -4.235 1.00 0.00 H new ATOM 1680 N GLN A 541 103.048 6.229 -12.235 1.00 0.00 N ATOM 1681 CA GLN A 541 103.358 6.743 -13.565 1.00 0.00 C ATOM 1682 C GLN A 541 102.093 7.223 -14.266 1.00 0.00 C ATOM 1683 O GLN A 541 102.087 8.275 -14.906 1.00 0.00 O ATOM 1684 CB GLN A 541 104.044 5.661 -14.404 1.00 0.00 C ATOM 1685 CG GLN A 541 105.562 5.728 -14.360 1.00 0.00 C ATOM 1686 CD GLN A 541 106.143 5.020 -13.151 1.00 0.00 C ATOM 1687 OE1 GLN A 541 105.958 5.455 -12.015 1.00 0.00 O ATOM 1688 NE2 GLN A 541 106.851 3.922 -13.391 1.00 0.00 N ATOM 0 H GLN A 541 103.254 5.238 -12.107 1.00 0.00 H new ATOM 0 HA GLN A 541 104.035 7.590 -13.455 1.00 0.00 H new ATOM 0 HB2 GLN A 541 103.722 4.681 -14.052 1.00 0.00 H new ATOM 0 HB3 GLN A 541 103.714 5.752 -15.439 1.00 0.00 H new ATOM 0 HG2 GLN A 541 105.968 5.281 -15.268 1.00 0.00 H new ATOM 0 HG3 GLN A 541 105.876 6.772 -14.350 1.00 0.00 H new ATOM 0 HE21 GLN A 541 106.979 3.597 -14.349 1.00 0.00 H new ATOM 0 HE22 GLN A 541 107.267 3.404 -12.617 1.00 0.00 H new ATOM 1697 N ALA A 542 101.022 6.445 -14.139 1.00 0.00 N ATOM 1698 CA ALA A 542 99.750 6.790 -14.760 1.00 0.00 C ATOM 1699 C ALA A 542 99.202 8.090 -14.184 1.00 0.00 C ATOM 1700 O ALA A 542 98.565 8.873 -14.889 1.00 0.00 O ATOM 1701 CB ALA A 542 98.737 5.668 -14.585 1.00 0.00 C ATOM 0 H ALA A 542 101.011 5.572 -13.612 1.00 0.00 H new ATOM 0 HA ALA A 542 99.927 6.930 -15.826 1.00 0.00 H new ATOM 0 HB1 ALA A 542 97.796 5.950 -15.057 1.00 0.00 H new ATOM 0 HB2 ALA A 542 99.118 4.758 -15.050 1.00 0.00 H new ATOM 0 HB3 ALA A 542 98.571 5.490 -13.523 1.00 0.00 H new ATOM 1707 N LYS A 543 99.455 8.313 -12.899 1.00 0.00 N ATOM 1708 CA LYS A 543 98.987 9.519 -12.226 1.00 0.00 C ATOM 1709 C LYS A 543 99.589 10.771 -12.858 1.00 0.00 C ATOM 1710 O LYS A 543 99.062 11.873 -12.701 1.00 0.00 O ATOM 1711 CB LYS A 543 99.342 9.465 -10.739 1.00 0.00 C ATOM 1712 CG LYS A 543 98.218 8.942 -9.862 1.00 0.00 C ATOM 1713 CD LYS A 543 97.598 7.681 -10.442 1.00 0.00 C ATOM 1714 CE LYS A 543 96.158 7.914 -10.870 1.00 0.00 C ATOM 1715 NZ LYS A 543 95.192 7.239 -9.960 1.00 0.00 N ATOM 0 H LYS A 543 99.981 7.675 -12.303 1.00 0.00 H new ATOM 0 HA LYS A 543 97.904 9.567 -12.336 1.00 0.00 H new ATOM 0 HB2 LYS A 543 100.219 8.831 -10.607 1.00 0.00 H new ATOM 0 HB3 LYS A 543 99.617 10.465 -10.404 1.00 0.00 H new ATOM 0 HG2 LYS A 543 98.602 8.734 -8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 543 97.451 9.709 -9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 543 98.184 7.347 -11.298 1.00 0.00 H new ATOM 0 HD3 LYS A 543 97.634 6.883 -9.701 1.00 0.00 H new ATOM 0 HE2 LYS A 543 95.953 8.984 -10.887 1.00 0.00 H new ATOM 0 HE3 LYS A 543 96.017 7.546 -11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 94.222 7.422 -10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 95.370 6.214 -9.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 95.308 7.608 -8.995 1.00 0.00 H new ATOM 1729 N LEU A 544 100.698 10.596 -13.571 1.00 0.00 N ATOM 1730 CA LEU A 544 101.375 11.714 -14.223 1.00 0.00 C ATOM 1731 C LEU A 544 100.429 12.464 -15.157 1.00 0.00 C ATOM 1732 O LEU A 544 100.564 13.672 -15.351 1.00 0.00 O ATOM 1733 CB LEU A 544 102.589 11.212 -15.010 1.00 0.00 C ATOM 1734 CG LEU A 544 103.438 12.309 -15.659 1.00 0.00 C ATOM 1735 CD1 LEU A 544 104.449 12.860 -14.666 1.00 0.00 C ATOM 1736 CD2 LEU A 544 104.142 11.775 -16.898 1.00 0.00 C ATOM 0 H LEU A 544 101.147 9.691 -13.712 1.00 0.00 H new ATOM 0 HA LEU A 544 101.707 12.402 -13.446 1.00 0.00 H new ATOM 0 HB2 LEU A 544 103.223 10.632 -14.340 1.00 0.00 H new ATOM 0 HB3 LEU A 544 102.243 10.533 -15.789 1.00 0.00 H new ATOM 0 HG LEU A 544 102.777 13.121 -15.962 1.00 0.00 H new ATOM 0 HD11 LEU A 544 105.043 13.638 -15.145 1.00 0.00 H new ATOM 0 HD12 LEU A 544 103.924 13.281 -13.808 1.00 0.00 H new ATOM 0 HD13 LEU A 544 105.106 12.057 -14.332 1.00 0.00 H new ATOM 0 HD21 LEU A 544 104.741 12.568 -17.346 1.00 0.00 H new ATOM 0 HD22 LEU A 544 104.790 10.945 -16.619 1.00 0.00 H new ATOM 0 HD23 LEU A 544 103.400 11.430 -17.618 1.00 0.00 H new ATOM 1748 N ASN A 545 99.473 11.743 -15.735 1.00 0.00 N ATOM 1749 CA ASN A 545 98.511 12.349 -16.649 1.00 0.00 C ATOM 1750 C ASN A 545 97.085 12.199 -16.130 1.00 0.00 C ATOM 1751 O ASN A 545 96.813 11.369 -15.262 1.00 0.00 O ATOM 1752 CB ASN A 545 98.629 11.717 -18.037 1.00 0.00 C ATOM 1753 CG ASN A 545 99.321 12.630 -19.030 1.00 0.00 C ATOM 1754 OD1 ASN A 545 98.982 12.652 -20.212 1.00 0.00 O ATOM 1755 ND2 ASN A 545 100.301 13.390 -18.550 1.00 0.00 N ATOM 0 H ASN A 545 99.344 10.742 -15.587 1.00 0.00 H new ATOM 0 HA ASN A 545 98.739 13.413 -16.717 1.00 0.00 H new ATOM 0 HB2 ASN A 545 99.182 10.781 -17.961 1.00 0.00 H new ATOM 0 HB3 ASN A 545 97.634 11.470 -18.407 1.00 0.00 H new ATOM 0 HD21 ASN A 545 100.805 14.024 -19.170 1.00 0.00 H new ATOM 0 HD22 ASN A 545 100.549 13.339 -17.562 1.00 0.00 H new ATOM 1762 N GLN A 546 96.179 13.007 -16.670 1.00 0.00 N ATOM 1763 CA GLN A 546 94.778 12.967 -16.266 1.00 0.00 C ATOM 1764 C GLN A 546 93.919 13.810 -17.203 1.00 0.00 C ATOM 1765 O GLN A 546 93.532 14.930 -16.869 1.00 0.00 O ATOM 1766 CB GLN A 546 94.622 13.463 -14.828 1.00 0.00 C ATOM 1767 CG GLN A 546 93.629 12.653 -14.013 1.00 0.00 C ATOM 1768 CD GLN A 546 93.725 12.941 -12.528 1.00 0.00 C ATOM 1769 OE1 GLN A 546 93.819 12.024 -11.710 1.00 0.00 O ATOM 1770 NE2 GLN A 546 93.700 14.219 -12.170 1.00 0.00 N ATOM 0 H GLN A 546 96.390 13.698 -17.390 1.00 0.00 H new ATOM 0 HA GLN A 546 94.440 11.932 -16.322 1.00 0.00 H new ATOM 0 HB2 GLN A 546 95.594 13.435 -14.335 1.00 0.00 H new ATOM 0 HB3 GLN A 546 94.303 14.505 -14.844 1.00 0.00 H new ATOM 0 HG2 GLN A 546 92.618 12.871 -14.357 1.00 0.00 H new ATOM 0 HG3 GLN A 546 93.803 11.591 -14.186 1.00 0.00 H new ATOM 0 HE21 GLN A 546 93.621 14.946 -12.881 1.00 0.00 H new ATOM 0 HE22 GLN A 546 93.760 14.474 -11.184 1.00 0.00 H new ATOM 1779 N PRO A 547 93.608 13.274 -18.391 1.00 0.00 N ATOM 1780 CA PRO A 547 92.786 13.971 -19.386 1.00 0.00 C ATOM 1781 C PRO A 547 91.387 14.275 -18.866 1.00 0.00 C ATOM 1782 O PRO A 547 90.412 13.640 -19.267 1.00 0.00 O ATOM 1783 CB PRO A 547 92.717 12.984 -20.557 1.00 0.00 C ATOM 1784 CG PRO A 547 93.059 11.659 -19.967 1.00 0.00 C ATOM 1785 CD PRO A 547 94.027 11.945 -18.856 1.00 0.00 C ATOM 0 HA PRO A 547 93.210 14.938 -19.655 1.00 0.00 H new ATOM 0 HB2 PRO A 547 91.723 12.972 -21.005 1.00 0.00 H new ATOM 0 HB3 PRO A 547 93.418 13.258 -21.345 1.00 0.00 H new ATOM 0 HG2 PRO A 547 92.168 11.157 -19.590 1.00 0.00 H new ATOM 0 HG3 PRO A 547 93.504 11.001 -20.714 1.00 0.00 H new ATOM 0 HD2 PRO A 547 93.963 11.200 -18.063 1.00 0.00 H new ATOM 0 HD3 PRO A 547 95.058 11.947 -19.209 1.00 0.00 H new ATOM 1793 N ARG A 548 91.297 15.252 -17.972 1.00 0.00 N ATOM 1794 CA ARG A 548 90.017 15.645 -17.395 1.00 0.00 C ATOM 1795 C ARG A 548 89.405 16.802 -18.177 1.00 0.00 C ATOM 1796 O ARG A 548 89.448 17.951 -17.740 1.00 0.00 O ATOM 1797 CB ARG A 548 90.192 16.041 -15.928 1.00 0.00 C ATOM 1798 CG ARG A 548 89.339 15.224 -14.971 1.00 0.00 C ATOM 1799 CD ARG A 548 89.566 13.731 -15.156 1.00 0.00 C ATOM 1800 NE ARG A 548 89.840 13.056 -13.891 1.00 0.00 N ATOM 1801 CZ ARG A 548 90.493 11.903 -13.798 1.00 0.00 C ATOM 1802 NH1 ARG A 548 90.940 11.301 -14.892 1.00 0.00 N ATOM 1803 NH2 ARG A 548 90.703 11.353 -12.611 1.00 0.00 N ATOM 0 H ARG A 548 92.095 15.787 -17.631 1.00 0.00 H new ATOM 0 HA ARG A 548 89.342 14.791 -17.453 1.00 0.00 H new ATOM 0 HB2 ARG A 548 91.241 15.929 -15.653 1.00 0.00 H new ATOM 0 HB3 ARG A 548 89.943 17.096 -15.813 1.00 0.00 H new ATOM 0 HG2 ARG A 548 89.573 15.504 -13.944 1.00 0.00 H new ATOM 0 HG3 ARG A 548 88.286 15.456 -15.132 1.00 0.00 H new ATOM 0 HD2 ARG A 548 88.686 13.286 -15.621 1.00 0.00 H new ATOM 0 HD3 ARG A 548 90.401 13.574 -15.839 1.00 0.00 H new ATOM 0 HE ARG A 548 89.512 13.494 -13.030 1.00 0.00 H new ATOM 0 HH11 ARG A 548 90.783 11.723 -15.807 1.00 0.00 H new ATOM 0 HH12 ARG A 548 91.441 10.416 -14.818 1.00 0.00 H new ATOM 0 HH21 ARG A 548 90.363 11.815 -11.768 1.00 0.00 H new ATOM 0 HH22 ARG A 548 91.205 10.468 -12.541 1.00 0.00 H new ATOM 1817 N GLU A 549 88.837 16.488 -19.337 1.00 0.00 N ATOM 1818 CA GLU A 549 88.217 17.502 -20.182 1.00 0.00 C ATOM 1819 C GLU A 549 86.697 17.421 -20.100 1.00 0.00 C ATOM 1820 O GLU A 549 86.025 17.156 -21.095 1.00 0.00 O ATOM 1821 CB GLU A 549 88.670 17.332 -21.632 1.00 0.00 C ATOM 1822 CG GLU A 549 89.731 18.333 -22.058 1.00 0.00 C ATOM 1823 CD GLU A 549 90.844 17.694 -22.867 1.00 0.00 C ATOM 1824 OE1 GLU A 549 92.005 17.726 -22.407 1.00 0.00 O ATOM 1825 OE2 GLU A 549 90.555 17.162 -23.958 1.00 0.00 O ATOM 0 H GLU A 549 88.793 15.541 -19.713 1.00 0.00 H new ATOM 0 HA GLU A 549 88.531 18.482 -19.823 1.00 0.00 H new ATOM 0 HB2 GLU A 549 89.059 16.323 -21.767 1.00 0.00 H new ATOM 0 HB3 GLU A 549 87.805 17.430 -22.288 1.00 0.00 H new ATOM 0 HG2 GLU A 549 89.265 19.122 -22.648 1.00 0.00 H new ATOM 0 HG3 GLU A 549 90.156 18.806 -21.172 1.00 0.00 H new ATOM 1832 N LYS A 550 86.161 17.652 -18.905 1.00 0.00 N ATOM 1833 CA LYS A 550 84.720 17.605 -18.694 1.00 0.00 C ATOM 1834 C LYS A 550 84.154 19.005 -18.479 1.00 0.00 C ATOM 1835 O LYS A 550 83.100 19.172 -17.865 1.00 0.00 O ATOM 1836 CB LYS A 550 84.387 16.717 -17.494 1.00 0.00 C ATOM 1837 CG LYS A 550 82.980 16.146 -17.534 1.00 0.00 C ATOM 1838 CD LYS A 550 82.999 14.630 -17.645 1.00 0.00 C ATOM 1839 CE LYS A 550 82.720 14.171 -19.066 1.00 0.00 C ATOM 1840 NZ LYS A 550 83.954 13.693 -19.749 1.00 0.00 N ATOM 0 H LYS A 550 86.703 17.873 -18.070 1.00 0.00 H new ATOM 0 HA LYS A 550 84.262 17.182 -19.588 1.00 0.00 H new ATOM 0 HB2 LYS A 550 85.103 15.896 -17.450 1.00 0.00 H new ATOM 0 HB3 LYS A 550 84.510 17.296 -16.579 1.00 0.00 H new ATOM 0 HG2 LYS A 550 82.441 16.440 -16.633 1.00 0.00 H new ATOM 0 HG3 LYS A 550 82.439 16.568 -18.381 1.00 0.00 H new ATOM 0 HD2 LYS A 550 83.970 14.253 -17.324 1.00 0.00 H new ATOM 0 HD3 LYS A 550 82.254 14.206 -16.972 1.00 0.00 H new ATOM 0 HE2 LYS A 550 81.981 13.370 -19.050 1.00 0.00 H new ATOM 0 HE3 LYS A 550 82.286 14.994 -19.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 83.720 13.389 -20.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 84.650 14.464 -19.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 84.354 12.891 -19.221 1.00 0.00 H new ATOM 1854 N LYS A 551 84.860 20.007 -18.991 1.00 0.00 N ATOM 1855 CA LYS A 551 84.426 21.392 -18.855 1.00 0.00 C ATOM 1856 C LYS A 551 83.976 21.687 -17.430 1.00 0.00 C ATOM 1857 O LYS A 551 84.777 22.087 -16.585 1.00 0.00 O ATOM 1858 CB LYS A 551 83.289 21.687 -19.836 1.00 0.00 C ATOM 1859 CG LYS A 551 83.737 21.730 -21.287 1.00 0.00 C ATOM 1860 CD LYS A 551 82.620 22.209 -22.199 1.00 0.00 C ATOM 1861 CE LYS A 551 81.587 21.119 -22.434 1.00 0.00 C ATOM 1862 NZ LYS A 551 80.603 21.505 -23.481 1.00 0.00 N ATOM 0 H LYS A 551 85.734 19.886 -19.503 1.00 0.00 H new ATOM 0 HA LYS A 551 85.274 22.037 -19.085 1.00 0.00 H new ATOM 0 HB2 LYS A 551 82.517 20.926 -19.725 1.00 0.00 H new ATOM 0 HB3 LYS A 551 82.834 22.643 -19.576 1.00 0.00 H new ATOM 0 HG2 LYS A 551 84.597 22.392 -21.384 1.00 0.00 H new ATOM 0 HG3 LYS A 551 84.062 20.737 -21.598 1.00 0.00 H new ATOM 0 HD2 LYS A 551 82.137 23.081 -21.757 1.00 0.00 H new ATOM 0 HD3 LYS A 551 83.039 22.526 -23.154 1.00 0.00 H new ATOM 0 HE2 LYS A 551 82.091 20.199 -22.731 1.00 0.00 H new ATOM 0 HE3 LYS A 551 81.062 20.909 -21.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 79.916 20.736 -23.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 80.104 22.369 -23.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 81.101 21.681 -24.377 1.00 0.00 H new ATOM 1876 N ARG A 552 82.692 21.486 -17.172 1.00 0.00 N ATOM 1877 CA ARG A 552 82.131 21.728 -15.848 1.00 0.00 C ATOM 1878 C ARG A 552 82.589 20.658 -14.861 1.00 0.00 C ATOM 1879 O ARG A 552 82.500 19.463 -15.143 1.00 0.00 O ATOM 1880 CB ARG A 552 80.602 21.758 -15.913 1.00 0.00 C ATOM 1881 CG ARG A 552 80.056 22.102 -17.290 1.00 0.00 C ATOM 1882 CD ARG A 552 78.895 23.080 -17.201 1.00 0.00 C ATOM 1883 NE ARG A 552 79.343 24.467 -17.292 1.00 0.00 N ATOM 1884 CZ ARG A 552 78.521 25.512 -17.250 1.00 0.00 C ATOM 1885 NH1 ARG A 552 77.215 25.328 -17.106 1.00 0.00 N ATOM 1886 NH2 ARG A 552 79.005 26.742 -17.351 1.00 0.00 N ATOM 0 H ARG A 552 82.017 21.156 -17.862 1.00 0.00 H new ATOM 0 HA ARG A 552 82.490 22.697 -15.501 1.00 0.00 H new ATOM 0 HB2 ARG A 552 80.215 20.785 -15.611 1.00 0.00 H new ATOM 0 HB3 ARG A 552 80.231 22.486 -15.192 1.00 0.00 H new ATOM 0 HG2 ARG A 552 80.850 22.533 -17.900 1.00 0.00 H new ATOM 0 HG3 ARG A 552 79.728 21.191 -17.791 1.00 0.00 H new ATOM 0 HD2 ARG A 552 78.185 22.875 -18.002 1.00 0.00 H new ATOM 0 HD3 ARG A 552 78.366 22.930 -16.260 1.00 0.00 H new ATOM 0 HE ARG A 552 80.342 24.644 -17.393 1.00 0.00 H new ATOM 0 HH11 ARG A 552 76.839 24.383 -17.027 1.00 0.00 H new ATOM 0 HH12 ARG A 552 76.587 26.131 -17.074 1.00 0.00 H new ATOM 0 HH21 ARG A 552 80.009 26.888 -17.461 1.00 0.00 H new ATOM 0 HH22 ARG A 552 78.374 27.543 -17.319 1.00 0.00 H new ATOM 1900 N GLY A 553 83.080 21.093 -13.706 1.00 0.00 N ATOM 1901 CA GLY A 553 83.545 20.159 -12.697 1.00 0.00 C ATOM 1902 C GLY A 553 84.638 20.743 -11.824 1.00 0.00 C ATOM 1903 O GLY A 553 84.369 21.569 -10.951 1.00 0.00 O ATOM 0 H GLY A 553 83.164 22.077 -13.450 1.00 0.00 H new ATOM 0 HA2 GLY A 553 82.705 19.859 -12.070 1.00 0.00 H new ATOM 0 HA3 GLY A 553 83.917 19.258 -13.185 1.00 0.00 H new ATOM 1907 N THR A 554 85.875 20.316 -12.059 1.00 0.00 N ATOM 1908 CA THR A 554 87.010 20.803 -11.286 1.00 0.00 C ATOM 1909 C THR A 554 88.098 21.359 -12.199 1.00 0.00 C ATOM 1910 O THR A 554 87.938 21.399 -13.419 1.00 0.00 O ATOM 1911 CB THR A 554 87.614 19.691 -10.408 1.00 0.00 C ATOM 1912 OG1 THR A 554 87.075 18.407 -10.746 1.00 0.00 O ATOM 1913 CG2 THR A 554 87.338 19.955 -8.935 1.00 0.00 C ATOM 0 H THR A 554 86.116 19.634 -12.778 1.00 0.00 H new ATOM 0 HA THR A 554 86.634 21.599 -10.643 1.00 0.00 H new ATOM 0 HB THR A 554 88.688 19.692 -10.591 1.00 0.00 H new ATOM 0 HG1 THR A 554 87.479 17.722 -10.173 1.00 0.00 H new ATOM 0 HG21 THR A 554 87.774 19.157 -8.334 1.00 0.00 H new ATOM 0 HG22 THR A 554 87.780 20.909 -8.647 1.00 0.00 H new ATOM 0 HG23 THR A 554 86.262 19.989 -8.767 1.00 0.00 H new ATOM 1921 N GLU A 555 89.205 21.786 -11.600 1.00 0.00 N ATOM 1922 CA GLU A 555 90.321 22.338 -12.358 1.00 0.00 C ATOM 1923 C GLU A 555 91.631 21.672 -11.953 1.00 0.00 C ATOM 1924 O GLU A 555 91.633 20.611 -11.329 1.00 0.00 O ATOM 1925 CB GLU A 555 90.411 23.849 -12.144 1.00 0.00 C ATOM 1926 CG GLU A 555 89.082 24.566 -12.317 1.00 0.00 C ATOM 1927 CD GLU A 555 89.021 25.874 -11.554 1.00 0.00 C ATOM 1928 OE1 GLU A 555 90.000 26.646 -11.620 1.00 0.00 O ATOM 1929 OE2 GLU A 555 87.993 26.126 -10.891 1.00 0.00 O ATOM 0 H GLU A 555 89.353 21.760 -10.591 1.00 0.00 H new ATOM 0 HA GLU A 555 90.147 22.141 -13.416 1.00 0.00 H new ATOM 0 HB2 GLU A 555 90.792 24.044 -11.142 1.00 0.00 H new ATOM 0 HB3 GLU A 555 91.133 24.265 -12.846 1.00 0.00 H new ATOM 0 HG2 GLU A 555 88.913 24.760 -13.376 1.00 0.00 H new ATOM 0 HG3 GLU A 555 88.276 23.915 -11.979 1.00 0.00 H new ATOM 1936 N LYS A 556 92.747 22.299 -12.312 1.00 0.00 N ATOM 1937 CA LYS A 556 94.062 21.761 -11.984 1.00 0.00 C ATOM 1938 C LYS A 556 94.987 22.857 -11.465 1.00 0.00 C ATOM 1939 O LYS A 556 96.204 22.678 -11.403 1.00 0.00 O ATOM 1940 CB LYS A 556 94.684 21.093 -13.212 1.00 0.00 C ATOM 1941 CG LYS A 556 95.202 22.079 -14.245 1.00 0.00 C ATOM 1942 CD LYS A 556 95.771 21.364 -15.460 1.00 0.00 C ATOM 1943 CE LYS A 556 94.951 21.651 -16.707 1.00 0.00 C ATOM 1944 NZ LYS A 556 95.108 23.060 -17.164 1.00 0.00 N ATOM 0 H LYS A 556 92.767 23.178 -12.829 1.00 0.00 H new ATOM 0 HA LYS A 556 93.935 21.017 -11.198 1.00 0.00 H new ATOM 0 HB2 LYS A 556 95.505 20.453 -12.890 1.00 0.00 H new ATOM 0 HB3 LYS A 556 93.941 20.447 -13.679 1.00 0.00 H new ATOM 0 HG2 LYS A 556 94.393 22.740 -14.556 1.00 0.00 H new ATOM 0 HG3 LYS A 556 95.972 22.706 -13.797 1.00 0.00 H new ATOM 0 HD2 LYS A 556 96.802 21.680 -15.620 1.00 0.00 H new ATOM 0 HD3 LYS A 556 95.792 20.290 -15.275 1.00 0.00 H new ATOM 0 HE2 LYS A 556 95.256 20.974 -17.505 1.00 0.00 H new ATOM 0 HE3 LYS A 556 93.899 21.451 -16.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 94.644 23.179 -18.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 94.670 23.700 -16.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 96.119 23.285 -17.253 1.00 0.00 H new ATOM 1958 N LEU A 557 94.402 23.990 -11.096 1.00 0.00 N ATOM 1959 CA LEU A 557 95.174 25.116 -10.583 1.00 0.00 C ATOM 1960 C LEU A 557 96.047 24.689 -9.407 1.00 0.00 C ATOM 1961 O LEU A 557 95.865 23.609 -8.845 1.00 0.00 O ATOM 1962 CB LEU A 557 94.238 26.250 -10.155 1.00 0.00 C ATOM 1963 CG LEU A 557 93.610 26.089 -8.768 1.00 0.00 C ATOM 1964 CD1 LEU A 557 93.424 27.447 -8.105 1.00 0.00 C ATOM 1965 CD2 LEU A 557 92.280 25.356 -8.867 1.00 0.00 C ATOM 0 H LEU A 557 93.396 24.154 -11.142 1.00 0.00 H new ATOM 0 HA LEU A 557 95.824 25.472 -11.382 1.00 0.00 H new ATOM 0 HB2 LEU A 557 94.795 27.187 -10.178 1.00 0.00 H new ATOM 0 HB3 LEU A 557 93.438 26.336 -10.890 1.00 0.00 H new ATOM 0 HG LEU A 557 94.285 25.495 -8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 557 92.976 27.313 -7.120 1.00 0.00 H new ATOM 0 HD12 LEU A 557 94.392 27.936 -8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 557 92.770 28.065 -8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 557 91.848 25.250 -7.872 1.00 0.00 H new ATOM 0 HD22 LEU A 557 91.598 25.923 -9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 557 92.440 24.368 -9.300 1.00 0.00 H new ATOM 1977 N ILE A 558 96.992 25.547 -9.039 1.00 0.00 N ATOM 1978 CA ILE A 558 97.893 25.264 -7.927 1.00 0.00 C ATOM 1979 C ILE A 558 97.860 26.391 -6.902 1.00 0.00 C ATOM 1980 O ILE A 558 97.257 27.438 -7.137 1.00 0.00 O ATOM 1981 CB ILE A 558 99.343 25.070 -8.412 1.00 0.00 C ATOM 1982 CG1 ILE A 558 99.555 25.773 -9.753 1.00 0.00 C ATOM 1983 CG2 ILE A 558 99.668 23.589 -8.526 1.00 0.00 C ATOM 1984 CD1 ILE A 558 99.130 24.941 -10.944 1.00 0.00 C ATOM 0 H ILE A 558 97.154 26.445 -9.495 1.00 0.00 H new ATOM 0 HA ILE A 558 97.548 24.339 -7.464 1.00 0.00 H new ATOM 0 HB ILE A 558 100.018 25.515 -7.681 1.00 0.00 H new ATOM 0 HG12 ILE A 558 98.997 26.709 -9.756 1.00 0.00 H new ATOM 0 HG13 ILE A 558 100.609 26.030 -9.857 1.00 0.00 H new ATOM 0 HG21 ILE A 558 100.695 23.467 -8.870 1.00 0.00 H new ATOM 0 HG22 ILE A 558 99.553 23.115 -7.551 1.00 0.00 H new ATOM 0 HG23 ILE A 558 98.989 23.121 -9.239 1.00 0.00 H new ATOM 0 HD11 ILE A 558 99.308 25.501 -11.862 1.00 0.00 H new ATOM 0 HD12 ILE A 558 99.706 24.016 -10.966 1.00 0.00 H new ATOM 0 HD13 ILE A 558 98.069 24.706 -10.863 1.00 0.00 H new ATOM 1996 N THR A 559 98.512 26.172 -5.767 1.00 0.00 N ATOM 1997 CA THR A 559 98.556 27.174 -4.709 1.00 0.00 C ATOM 1998 C THR A 559 97.178 27.782 -4.474 1.00 0.00 C ATOM 1999 O THR A 559 96.181 27.326 -5.035 1.00 0.00 O ATOM 2000 CB THR A 559 99.546 28.301 -5.050 1.00 0.00 C ATOM 2001 OG1 THR A 559 99.691 29.217 -3.957 1.00 0.00 O ATOM 2002 CG2 THR A 559 99.082 29.078 -6.272 1.00 0.00 C ATOM 0 H THR A 559 99.017 25.311 -5.555 1.00 0.00 H new ATOM 0 HA THR A 559 98.888 26.667 -3.803 1.00 0.00 H new ATOM 0 HB THR A 559 100.506 27.828 -5.255 1.00 0.00 H new ATOM 0 HG1 THR A 559 100.327 29.921 -4.202 1.00 0.00 H new ATOM 0 HG21 THR A 559 99.798 29.869 -6.493 1.00 0.00 H new ATOM 0 HG22 THR A 559 99.010 28.404 -7.126 1.00 0.00 H new ATOM 0 HG23 THR A 559 98.105 29.518 -6.074 1.00 0.00 H new ATOM 2010 N LYS A 560 97.130 28.818 -3.643 1.00 0.00 N ATOM 2011 CA LYS A 560 95.876 29.494 -3.336 1.00 0.00 C ATOM 2012 C LYS A 560 95.513 30.482 -4.440 1.00 0.00 C ATOM 2013 O LYS A 560 95.401 31.684 -4.200 1.00 0.00 O ATOM 2014 CB LYS A 560 95.984 30.223 -1.992 1.00 0.00 C ATOM 2015 CG LYS A 560 95.665 29.359 -0.773 1.00 0.00 C ATOM 2016 CD LYS A 560 95.507 27.886 -1.131 1.00 0.00 C ATOM 2017 CE LYS A 560 95.739 26.992 0.078 1.00 0.00 C ATOM 2018 NZ LYS A 560 97.110 26.413 0.088 1.00 0.00 N ATOM 0 H LYS A 560 97.946 29.207 -3.170 1.00 0.00 H new ATOM 0 HA LYS A 560 95.088 28.744 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 560 96.995 30.617 -1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 560 95.308 31.078 -2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 560 96.460 29.468 -0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 560 94.747 29.717 -0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 560 94.507 27.712 -1.527 1.00 0.00 H new ATOM 0 HD3 LYS A 560 96.212 27.624 -1.920 1.00 0.00 H new ATOM 0 HE2 LYS A 560 95.582 27.568 0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 560 95.005 26.186 0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 97.226 25.811 0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 97.252 25.842 -0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 97.811 27.181 0.113 1.00 0.00 H new ATOM 2032 N ALA A 561 95.332 29.964 -5.650 1.00 0.00 N ATOM 2033 CA ALA A 561 94.985 30.797 -6.795 1.00 0.00 C ATOM 2034 C ALA A 561 96.121 31.756 -7.134 1.00 0.00 C ATOM 2035 O ALA A 561 96.017 32.947 -6.775 1.00 0.00 O ATOM 2036 CB ALA A 561 93.702 31.572 -6.537 1.00 0.00 C ATOM 2037 OXT ALA A 561 97.108 31.306 -7.754 1.00 0.00 O ATOM 0 H ALA A 561 95.420 28.970 -5.863 1.00 0.00 H new ATOM 0 HA ALA A 561 94.823 30.137 -7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 561 93.466 32.185 -7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 561 92.886 30.873 -6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 561 93.833 32.214 -5.666 1.00 0.00 H new TER 2043 ALA A 561