USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 506 THR OG1 : rot -160:sc= 0.00799 USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 HIS : no HD1:sc= -0.221 K(o=-0.22,f=-0.86) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 521 MET CE :methyl 162:sc= -4.38! (180deg=-4.98!) USER MOD Single : A 524 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0224) USER MOD Single : A 528 THR OG1 : rot -133:sc= -0.443! USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -2.86! C(o=-2.9!,f=-1.8!) USER MOD Single : A 539 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 THR OG1 : rot 42:sc= 0.547 USER MOD Single : A 545 THR OG1 : rot -36:sc= 0.287 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 CYS SG : rot 180:sc= 0 USER MOD Single : A 563 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 564 ASN : amide:sc= -0.225 K(o=-0.23,f=-5.2!) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 SER OG : rot 40:sc= 0.0515 USER MOD Single : A 574 LYS NZ :NH3+ -171:sc=-0.00208 (180deg=-0.0868) USER MOD Single : A 581 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 584 ASN : amide:sc= 0 X(o=0,f=0.012) USER MOD Single : A 585 LYS NZ :NH3+ 168:sc= 1.94 (180deg=1.19) USER MOD Single : A 586 THR OG1 : rot 35:sc= 0.237 USER MOD Single : A 639 HIS : no HD1:sc= -0.0346 X(o=-0.035,f=-0.19) USER MOD Single : A 640 THR OG1 : rot 53:sc= -1.05 USER MOD Single : A 641 LYS NZ :NH3+ -164:sc= 1.16 (180deg=0.924) USER MOD Single : A 649 SER OG : rot -59:sc= -0.384 USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 -5.485 -13.665 -3.638 1.00 54.00 N ATOM 29 CA GLY A 503 -6.060 -12.661 -2.839 1.00 40.12 C ATOM 30 C GLY A 503 -5.791 -11.267 -3.319 1.00 71.21 C ATOM 31 O GLY A 503 -5.122 -11.080 -4.331 1.00 41.45 O ATOM 0 HA2 GLY A 503 -7.138 -12.818 -2.798 1.00 40.12 H new ATOM 0 HA3 GLY A 503 -5.684 -12.762 -1.821 1.00 40.12 H new ATOM 35 N ILE A 504 -6.274 -10.301 -2.556 1.00 44.23 N ATOM 36 CA ILE A 504 -6.234 -8.886 -2.912 1.00 50.41 C ATOM 37 C ILE A 504 -5.563 -8.110 -1.782 1.00 12.34 C ATOM 38 O ILE A 504 -5.857 -8.360 -0.618 1.00 64.12 O ATOM 39 CB ILE A 504 -7.691 -8.276 -3.060 1.00 63.32 C ATOM 40 CG1 ILE A 504 -8.614 -9.086 -3.981 1.00 21.00 C ATOM 41 CG2 ILE A 504 -7.656 -6.831 -3.517 1.00 74.00 C ATOM 42 CD1 ILE A 504 -9.289 -10.263 -3.301 1.00 2.25 C ATOM 0 H ILE A 504 -6.714 -10.478 -1.653 1.00 44.23 H new ATOM 0 HA ILE A 504 -5.697 -8.805 -3.857 1.00 50.41 H new ATOM 0 HB ILE A 504 -8.113 -8.327 -2.056 1.00 63.32 H new ATOM 0 HG12 ILE A 504 -9.381 -8.424 -4.383 1.00 21.00 H new ATOM 0 HG13 ILE A 504 -8.034 -9.453 -4.828 1.00 21.00 H new ATOM 0 HG21 ILE A 504 -8.674 -6.453 -3.605 1.00 74.00 H new ATOM 0 HG22 ILE A 504 -7.108 -6.232 -2.789 1.00 74.00 H new ATOM 0 HG23 ILE A 504 -7.160 -6.768 -4.486 1.00 74.00 H new ATOM 0 HD11 ILE A 504 -9.923 -10.783 -4.019 1.00 2.25 H new ATOM 0 HD12 ILE A 504 -8.531 -10.949 -2.923 1.00 2.25 H new ATOM 0 HD13 ILE A 504 -9.898 -9.904 -2.472 1.00 2.25 H new ATOM 54 N PHE A 505 -4.663 -7.215 -2.113 1.00 14.01 N ATOM 55 CA PHE A 505 -4.062 -6.323 -1.127 1.00 45.42 C ATOM 56 C PHE A 505 -4.116 -4.891 -1.643 1.00 25.43 C ATOM 57 O PHE A 505 -3.699 -4.615 -2.773 1.00 54.30 O ATOM 58 CB PHE A 505 -2.617 -6.734 -0.797 1.00 74.24 C ATOM 59 CG PHE A 505 -2.518 -8.056 -0.087 1.00 50.31 C ATOM 60 CD1 PHE A 505 -2.706 -8.129 1.283 1.00 40.23 C ATOM 61 CD2 PHE A 505 -2.250 -9.224 -0.782 1.00 61.42 C ATOM 62 CE1 PHE A 505 -2.628 -9.335 1.944 1.00 13.12 C ATOM 63 CE2 PHE A 505 -2.172 -10.433 -0.122 1.00 55.24 C ATOM 64 CZ PHE A 505 -2.359 -10.487 1.242 1.00 64.51 C ATOM 0 H PHE A 505 -4.323 -7.078 -3.065 1.00 14.01 H new ATOM 0 HA PHE A 505 -4.632 -6.394 -0.201 1.00 45.42 H new ATOM 0 HB2 PHE A 505 -2.041 -6.783 -1.721 1.00 74.24 H new ATOM 0 HB3 PHE A 505 -2.160 -5.962 -0.177 1.00 74.24 H new ATOM 0 HD1 PHE A 505 -2.917 -7.228 1.841 1.00 40.23 H new ATOM 0 HD2 PHE A 505 -2.101 -9.188 -1.851 1.00 61.42 H new ATOM 0 HE1 PHE A 505 -2.778 -9.376 3.013 1.00 13.12 H new ATOM 0 HE2 PHE A 505 -1.964 -11.337 -0.675 1.00 55.24 H new ATOM 0 HZ PHE A 505 -2.294 -11.433 1.759 1.00 64.51 H new ATOM 74 N THR A 506 -4.646 -3.988 -0.843 1.00 53.44 N ATOM 75 CA THR A 506 -4.798 -2.614 -1.255 1.00 14.20 C ATOM 76 C THR A 506 -4.812 -1.709 -0.018 1.00 21.22 C ATOM 77 O THR A 506 -4.970 -2.195 1.115 1.00 22.34 O ATOM 78 CB THR A 506 -6.130 -2.430 -2.077 1.00 5.01 C ATOM 79 OG1 THR A 506 -6.213 -1.116 -2.668 1.00 21.22 O ATOM 80 CG2 THR A 506 -7.365 -2.670 -1.207 1.00 4.24 C ATOM 0 H THR A 506 -4.979 -4.186 0.100 1.00 53.44 H new ATOM 0 HA THR A 506 -3.959 -2.339 -1.895 1.00 14.20 H new ATOM 0 HB THR A 506 -6.107 -3.174 -2.873 1.00 5.01 H new ATOM 0 HG1 THR A 506 -7.146 -0.916 -2.890 1.00 21.22 H new ATOM 0 HG21 THR A 506 -8.265 -2.534 -1.807 1.00 4.24 H new ATOM 0 HG22 THR A 506 -7.341 -3.686 -0.814 1.00 4.24 H new ATOM 0 HG23 THR A 506 -7.371 -1.961 -0.379 1.00 4.24 H new ATOM 88 N PHE A 507 -4.628 -0.428 -0.229 1.00 51.51 N ATOM 89 CA PHE A 507 -4.718 0.547 0.829 1.00 45.35 C ATOM 90 C PHE A 507 -6.100 1.111 0.842 1.00 74.13 C ATOM 91 O PHE A 507 -6.820 1.007 -0.160 1.00 64.33 O ATOM 92 CB PHE A 507 -3.699 1.672 0.651 1.00 3.24 C ATOM 93 CG PHE A 507 -2.298 1.271 0.963 1.00 63.12 C ATOM 94 CD1 PHE A 507 -1.813 1.405 2.247 1.00 62.24 C ATOM 95 CD2 PHE A 507 -1.465 0.762 -0.016 1.00 74.14 C ATOM 96 CE1 PHE A 507 -0.529 1.042 2.555 1.00 22.45 C ATOM 97 CE2 PHE A 507 -0.175 0.394 0.285 1.00 14.20 C ATOM 98 CZ PHE A 507 0.293 0.534 1.575 1.00 4.40 C ATOM 0 H PHE A 507 -4.411 -0.032 -1.143 1.00 51.51 H new ATOM 0 HA PHE A 507 -4.497 0.055 1.776 1.00 45.35 H new ATOM 0 HB2 PHE A 507 -3.744 2.030 -0.377 1.00 3.24 H new ATOM 0 HB3 PHE A 507 -3.979 2.508 1.292 1.00 3.24 H new ATOM 0 HD1 PHE A 507 -2.454 1.802 3.020 1.00 62.24 H new ATOM 0 HD2 PHE A 507 -1.831 0.652 -1.026 1.00 74.14 H new ATOM 0 HE1 PHE A 507 -0.162 1.154 3.565 1.00 22.45 H new ATOM 0 HE2 PHE A 507 0.469 -0.003 -0.485 1.00 14.20 H new ATOM 0 HZ PHE A 507 1.305 0.245 1.816 1.00 4.40 H new ATOM 108 N GLU A 508 -6.494 1.644 1.963 1.00 42.44 N ATOM 109 CA GLU A 508 -7.787 2.252 2.107 1.00 11.34 C ATOM 110 C GLU A 508 -7.611 3.730 1.831 1.00 4.43 C ATOM 111 O GLU A 508 -8.492 4.393 1.260 1.00 22.25 O ATOM 112 CB GLU A 508 -8.292 2.030 3.525 1.00 12.10 C ATOM 113 CG GLU A 508 -9.794 2.085 3.670 1.00 22.43 C ATOM 114 CD GLU A 508 -10.232 1.894 5.092 1.00 72.42 C ATOM 115 OE1 GLU A 508 -10.455 0.730 5.525 1.00 52.33 O ATOM 116 OE2 GLU A 508 -10.354 2.894 5.821 1.00 30.52 O ATOM 0 H GLU A 508 -5.924 1.669 2.809 1.00 42.44 H new ATOM 0 HA GLU A 508 -8.513 1.820 1.418 1.00 11.34 H new ATOM 0 HB2 GLU A 508 -7.941 1.059 3.874 1.00 12.10 H new ATOM 0 HB3 GLU A 508 -7.849 2.783 4.177 1.00 12.10 H new ATOM 0 HG2 GLU A 508 -10.158 3.046 3.305 1.00 22.43 H new ATOM 0 HG3 GLU A 508 -10.246 1.315 3.045 1.00 22.43 H new ATOM 123 N GLU A 509 -6.451 4.220 2.221 1.00 54.32 N ATOM 124 CA GLU A 509 -6.040 5.569 1.972 1.00 11.11 C ATOM 125 C GLU A 509 -5.202 5.630 0.742 1.00 52.22 C ATOM 126 O GLU A 509 -4.185 4.960 0.664 1.00 3.41 O ATOM 127 CB GLU A 509 -5.144 6.132 3.074 1.00 60.34 C ATOM 128 CG GLU A 509 -5.798 6.599 4.328 1.00 54.02 C ATOM 129 CD GLU A 509 -6.408 5.500 5.143 1.00 52.44 C ATOM 130 OE1 GLU A 509 -5.662 4.704 5.751 1.00 15.13 O ATOM 131 OE2 GLU A 509 -7.625 5.429 5.232 1.00 54.14 O ATOM 0 H GLU A 509 -5.759 3.671 2.731 1.00 54.32 H new ATOM 0 HA GLU A 509 -6.965 6.141 1.897 1.00 11.11 H new ATOM 0 HB2 GLU A 509 -4.418 5.364 3.341 1.00 60.34 H new ATOM 0 HB3 GLU A 509 -4.584 6.969 2.656 1.00 60.34 H new ATOM 0 HG2 GLU A 509 -5.061 7.123 4.937 1.00 54.02 H new ATOM 0 HG3 GLU A 509 -6.573 7.322 4.074 1.00 54.02 H new ATOM 138 N PRO A 510 -5.611 6.392 -0.250 1.00 51.23 N ATOM 139 CA PRO A 510 -4.730 6.739 -1.335 1.00 32.54 C ATOM 140 C PRO A 510 -3.834 7.907 -0.875 1.00 72.33 C ATOM 141 O PRO A 510 -2.749 8.142 -1.403 1.00 13.20 O ATOM 142 CB PRO A 510 -5.680 7.192 -2.460 1.00 65.11 C ATOM 143 CG PRO A 510 -7.066 6.930 -1.956 1.00 63.51 C ATOM 144 CD PRO A 510 -6.967 6.896 -0.464 1.00 72.41 C ATOM 0 HA PRO A 510 -4.080 5.926 -1.658 1.00 32.54 H new ATOM 0 HB2 PRO A 510 -5.540 8.249 -2.688 1.00 65.11 H new ATOM 0 HB3 PRO A 510 -5.488 6.640 -3.380 1.00 65.11 H new ATOM 0 HG2 PRO A 510 -7.753 7.710 -2.283 1.00 63.51 H new ATOM 0 HG3 PRO A 510 -7.449 5.985 -2.343 1.00 63.51 H new ATOM 0 HD2 PRO A 510 -7.107 7.884 -0.025 1.00 72.41 H new ATOM 0 HD3 PRO A 510 -7.718 6.241 -0.022 1.00 72.41 H new ATOM 152 N VAL A 511 -4.315 8.611 0.158 1.00 61.12 N ATOM 153 CA VAL A 511 -3.671 9.780 0.741 1.00 75.43 C ATOM 154 C VAL A 511 -3.921 9.788 2.245 1.00 35.43 C ATOM 155 O VAL A 511 -5.037 9.480 2.700 1.00 31.15 O ATOM 156 CB VAL A 511 -4.261 11.112 0.154 1.00 33.12 C ATOM 157 CG1 VAL A 511 -3.662 12.327 0.813 1.00 61.21 C ATOM 158 CG2 VAL A 511 -4.064 11.198 -1.337 1.00 51.03 C ATOM 0 H VAL A 511 -5.191 8.369 0.621 1.00 61.12 H new ATOM 0 HA VAL A 511 -2.607 9.725 0.511 1.00 75.43 H new ATOM 0 HB VAL A 511 -5.330 11.094 0.365 1.00 33.12 H new ATOM 0 HG11 VAL A 511 -4.096 13.228 0.379 1.00 61.21 H new ATOM 0 HG12 VAL A 511 -3.872 12.302 1.882 1.00 61.21 H new ATOM 0 HG13 VAL A 511 -2.583 12.332 0.655 1.00 61.21 H new ATOM 0 HG21 VAL A 511 -4.485 12.133 -1.706 1.00 51.03 H new ATOM 0 HG22 VAL A 511 -2.999 11.164 -1.566 1.00 51.03 H new ATOM 0 HG23 VAL A 511 -4.565 10.359 -1.819 1.00 51.03 H new ATOM 168 N THR A 512 -2.911 10.126 2.995 1.00 42.43 N ATOM 169 CA THR A 512 -3.030 10.272 4.405 1.00 60.31 C ATOM 170 C THR A 512 -2.259 11.548 4.793 1.00 33.45 C ATOM 171 O THR A 512 -1.216 11.859 4.195 1.00 51.43 O ATOM 172 CB THR A 512 -2.503 8.995 5.169 1.00 62.20 C ATOM 173 OG1 THR A 512 -2.886 9.021 6.546 1.00 1.34 O ATOM 174 CG2 THR A 512 -0.990 8.857 5.084 1.00 61.51 C ATOM 0 H THR A 512 -1.975 10.308 2.634 1.00 42.43 H new ATOM 0 HA THR A 512 -4.076 10.367 4.696 1.00 60.31 H new ATOM 0 HB THR A 512 -2.960 8.137 4.676 1.00 62.20 H new ATOM 0 HG1 THR A 512 -2.548 8.218 6.995 1.00 1.34 H new ATOM 0 HG21 THR A 512 -0.675 7.964 5.624 1.00 61.51 H new ATOM 0 HG22 THR A 512 -0.690 8.773 4.039 1.00 61.51 H new ATOM 0 HG23 THR A 512 -0.519 9.734 5.527 1.00 61.51 H new ATOM 182 N HIS A 513 -2.810 12.326 5.691 1.00 51.40 N ATOM 183 CA HIS A 513 -2.156 13.543 6.145 1.00 50.23 C ATOM 184 C HIS A 513 -1.705 13.357 7.551 1.00 72.23 C ATOM 185 O HIS A 513 -2.528 13.170 8.458 1.00 22.33 O ATOM 186 CB HIS A 513 -3.072 14.770 6.028 1.00 4.25 C ATOM 187 CG HIS A 513 -3.401 15.131 4.617 1.00 64.41 C ATOM 188 ND1 HIS A 513 -2.762 16.119 3.907 1.00 33.44 N ATOM 189 CD2 HIS A 513 -4.306 14.596 3.773 1.00 21.55 C ATOM 190 CE1 HIS A 513 -3.276 16.147 2.683 1.00 1.51 C ATOM 191 NE2 HIS A 513 -4.225 15.242 2.546 1.00 63.13 N ATOM 0 H HIS A 513 -3.713 12.143 6.128 1.00 51.40 H new ATOM 0 HA HIS A 513 -1.297 13.731 5.502 1.00 50.23 H new ATOM 0 HB2 HIS A 513 -3.997 14.577 6.571 1.00 4.25 H new ATOM 0 HB3 HIS A 513 -2.591 15.621 6.510 1.00 4.25 H new ATOM 0 HD2 HIS A 513 -4.986 13.792 4.013 1.00 21.55 H new ATOM 0 HE1 HIS A 513 -2.958 16.822 1.902 1.00 1.51 H new ATOM 0 HE2 HIS A 513 -4.783 15.055 1.713 1.00 63.13 H new ATOM 199 N VAL A 514 -0.422 13.397 7.748 1.00 4.53 N ATOM 200 CA VAL A 514 0.128 13.107 9.037 1.00 4.21 C ATOM 201 C VAL A 514 0.671 14.318 9.701 1.00 54.21 C ATOM 202 O VAL A 514 1.038 15.320 9.053 1.00 50.24 O ATOM 203 CB VAL A 514 1.197 11.991 8.995 1.00 55.11 C ATOM 204 CG1 VAL A 514 0.586 10.707 8.467 1.00 34.12 C ATOM 205 CG2 VAL A 514 2.403 12.409 8.157 1.00 50.24 C ATOM 0 H VAL A 514 0.265 13.628 7.030 1.00 4.53 H new ATOM 0 HA VAL A 514 -0.707 12.739 9.633 1.00 4.21 H new ATOM 0 HB VAL A 514 1.553 11.817 10.011 1.00 55.11 H new ATOM 0 HG11 VAL A 514 1.346 9.926 8.441 1.00 34.12 H new ATOM 0 HG12 VAL A 514 -0.230 10.397 9.120 1.00 34.12 H new ATOM 0 HG13 VAL A 514 0.202 10.874 7.460 1.00 34.12 H new ATOM 0 HG21 VAL A 514 3.136 11.603 8.147 1.00 50.24 H new ATOM 0 HG22 VAL A 514 2.082 12.620 7.137 1.00 50.24 H new ATOM 0 HG23 VAL A 514 2.853 13.304 8.588 1.00 50.24 H new ATOM 215 N SER A 515 0.710 14.228 10.988 1.00 42.14 N ATOM 216 CA SER A 515 1.173 15.253 11.803 1.00 61.01 C ATOM 217 C SER A 515 2.689 15.287 11.795 1.00 72.42 C ATOM 218 O SER A 515 3.340 14.301 11.500 1.00 5.44 O ATOM 219 CB SER A 515 0.650 14.979 13.183 1.00 12.43 C ATOM 220 OG SER A 515 -0.763 14.921 13.177 1.00 62.24 O ATOM 0 H SER A 515 0.405 13.401 11.501 1.00 42.14 H new ATOM 0 HA SER A 515 0.829 16.225 11.449 1.00 61.01 H new ATOM 0 HB2 SER A 515 1.057 14.037 13.552 1.00 12.43 H new ATOM 0 HB3 SER A 515 0.984 15.760 13.866 1.00 12.43 H new ATOM 0 HG SER A 515 -1.087 14.740 14.084 1.00 62.24 H new ATOM 226 N GLU A 516 3.228 16.416 12.107 1.00 31.43 N ATOM 227 CA GLU A 516 4.655 16.586 12.186 1.00 41.10 C ATOM 228 C GLU A 516 5.096 16.211 13.610 1.00 5.45 C ATOM 229 O GLU A 516 6.244 15.889 13.864 1.00 20.03 O ATOM 230 CB GLU A 516 4.958 18.046 11.924 1.00 62.13 C ATOM 231 CG GLU A 516 6.403 18.393 11.671 1.00 62.01 C ATOM 232 CD GLU A 516 6.891 18.033 10.314 1.00 41.02 C ATOM 233 OE1 GLU A 516 6.135 18.227 9.329 1.00 73.32 O ATOM 234 OE2 GLU A 516 8.044 17.731 10.160 1.00 65.42 O ATOM 0 H GLU A 516 2.694 17.259 12.318 1.00 31.43 H new ATOM 0 HA GLU A 516 5.178 15.961 11.462 1.00 41.10 H new ATOM 0 HB2 GLU A 516 4.373 18.368 11.062 1.00 62.13 H new ATOM 0 HB3 GLU A 516 4.611 18.626 12.779 1.00 62.13 H new ATOM 0 HG2 GLU A 516 6.539 19.464 11.821 1.00 62.01 H new ATOM 0 HG3 GLU A 516 7.021 17.887 12.413 1.00 62.01 H new ATOM 241 N SER A 517 4.136 16.205 14.524 1.00 44.13 N ATOM 242 CA SER A 517 4.395 15.941 15.925 1.00 3.42 C ATOM 243 C SER A 517 4.127 14.478 16.257 1.00 71.41 C ATOM 244 O SER A 517 3.996 14.098 17.420 1.00 32.24 O ATOM 245 CB SER A 517 3.511 16.852 16.768 1.00 12.40 C ATOM 246 OG SER A 517 3.732 18.208 16.414 1.00 22.42 O ATOM 0 H SER A 517 3.155 16.384 14.310 1.00 44.13 H new ATOM 0 HA SER A 517 5.443 16.143 16.145 1.00 3.42 H new ATOM 0 HB2 SER A 517 2.462 16.595 16.618 1.00 12.40 H new ATOM 0 HB3 SER A 517 3.727 16.704 17.826 1.00 12.40 H new ATOM 0 HG SER A 517 3.159 18.786 16.959 1.00 22.42 H new ATOM 252 N ILE A 518 4.091 13.660 15.242 1.00 34.25 N ATOM 253 CA ILE A 518 3.800 12.274 15.412 1.00 54.45 C ATOM 254 C ILE A 518 5.099 11.498 15.321 1.00 64.13 C ATOM 255 O ILE A 518 6.062 11.967 14.703 1.00 75.02 O ATOM 256 CB ILE A 518 2.805 11.801 14.326 1.00 40.53 C ATOM 257 CG1 ILE A 518 2.152 10.493 14.710 1.00 23.10 C ATOM 258 CG2 ILE A 518 3.471 11.670 12.957 1.00 75.41 C ATOM 259 CD1 ILE A 518 1.091 10.107 13.741 1.00 64.10 C ATOM 0 H ILE A 518 4.263 13.940 14.277 1.00 34.25 H new ATOM 0 HA ILE A 518 3.339 12.104 16.385 1.00 54.45 H new ATOM 0 HB ILE A 518 2.035 12.569 14.254 1.00 40.53 H new ATOM 0 HG12 ILE A 518 2.907 9.708 14.756 1.00 23.10 H new ATOM 0 HG13 ILE A 518 1.721 10.580 15.707 1.00 23.10 H new ATOM 0 HG21 ILE A 518 2.736 11.336 12.225 1.00 75.41 H new ATOM 0 HG22 ILE A 518 3.871 12.637 12.653 1.00 75.41 H new ATOM 0 HG23 ILE A 518 4.282 10.944 13.015 1.00 75.41 H new ATOM 0 HD11 ILE A 518 0.644 9.162 14.049 1.00 64.10 H new ATOM 0 HD12 ILE A 518 0.323 10.880 13.715 1.00 64.10 H new ATOM 0 HD13 ILE A 518 1.528 9.995 12.749 1.00 64.10 H new ATOM 271 N GLY A 519 5.161 10.378 15.964 1.00 42.01 N ATOM 272 CA GLY A 519 6.328 9.568 15.865 1.00 14.43 C ATOM 273 C GLY A 519 6.181 8.556 14.771 1.00 14.04 C ATOM 274 O GLY A 519 6.782 8.679 13.701 1.00 14.31 O ATOM 0 H GLY A 519 4.422 10.006 16.560 1.00 42.01 H new ATOM 0 HA2 GLY A 519 7.197 10.197 15.671 1.00 14.43 H new ATOM 0 HA3 GLY A 519 6.506 9.062 16.814 1.00 14.43 H new ATOM 278 N ILE A 520 5.328 7.612 15.006 1.00 10.43 N ATOM 279 CA ILE A 520 5.114 6.525 14.106 1.00 75.31 C ATOM 280 C ILE A 520 3.695 6.577 13.619 1.00 23.21 C ATOM 281 O ILE A 520 2.766 6.661 14.420 1.00 2.41 O ATOM 282 CB ILE A 520 5.352 5.149 14.814 1.00 71.34 C ATOM 283 CG1 ILE A 520 6.809 4.991 15.295 1.00 35.14 C ATOM 284 CG2 ILE A 520 4.943 3.974 13.924 1.00 11.11 C ATOM 285 CD1 ILE A 520 7.844 4.973 14.184 1.00 51.20 C ATOM 0 H ILE A 520 4.749 7.574 15.845 1.00 10.43 H new ATOM 0 HA ILE A 520 5.817 6.615 13.278 1.00 75.31 H new ATOM 0 HB ILE A 520 4.711 5.139 15.695 1.00 71.34 H new ATOM 0 HG12 ILE A 520 7.043 5.808 15.978 1.00 35.14 H new ATOM 0 HG13 ILE A 520 6.891 4.066 15.865 1.00 35.14 H new ATOM 0 HG21 ILE A 520 5.124 3.038 14.452 1.00 11.11 H new ATOM 0 HG22 ILE A 520 3.884 4.054 13.680 1.00 11.11 H new ATOM 0 HG23 ILE A 520 5.530 3.992 13.005 1.00 11.11 H new ATOM 0 HD11 ILE A 520 8.839 4.859 14.615 1.00 51.20 H new ATOM 0 HD12 ILE A 520 7.642 4.139 13.512 1.00 51.20 H new ATOM 0 HD13 ILE A 520 7.796 5.908 13.627 1.00 51.20 H new ATOM 297 N MET A 521 3.528 6.599 12.338 1.00 3.51 N ATOM 298 CA MET A 521 2.210 6.480 11.767 1.00 74.12 C ATOM 299 C MET A 521 2.007 5.041 11.411 1.00 71.45 C ATOM 300 O MET A 521 2.941 4.387 10.928 1.00 55.32 O ATOM 301 CB MET A 521 2.003 7.374 10.524 1.00 10.20 C ATOM 302 CG MET A 521 2.949 7.086 9.368 1.00 23.40 C ATOM 303 SD MET A 521 2.478 7.960 7.873 1.00 61.43 S ATOM 304 CE MET A 521 3.740 7.423 6.740 1.00 73.34 C ATOM 0 H MET A 521 4.283 6.698 11.659 1.00 3.51 H new ATOM 0 HA MET A 521 1.479 6.821 12.500 1.00 74.12 H new ATOM 0 HB2 MET A 521 0.977 7.255 10.174 1.00 10.20 H new ATOM 0 HB3 MET A 521 2.120 8.417 10.820 1.00 10.20 H new ATOM 0 HG2 MET A 521 3.962 7.372 9.650 1.00 23.40 H new ATOM 0 HG3 MET A 521 2.963 6.014 9.171 1.00 23.40 H new ATOM 0 HE1 MET A 521 3.415 7.612 5.717 1.00 73.34 H new ATOM 0 HE2 MET A 521 4.662 7.971 6.935 1.00 73.34 H new ATOM 0 HE3 MET A 521 3.918 6.356 6.872 1.00 73.34 H new ATOM 314 N GLU A 522 0.852 4.530 11.714 1.00 32.30 N ATOM 315 CA GLU A 522 0.526 3.182 11.386 1.00 12.22 C ATOM 316 C GLU A 522 -0.608 3.200 10.406 1.00 24.40 C ATOM 317 O GLU A 522 -1.733 3.527 10.769 1.00 24.33 O ATOM 318 CB GLU A 522 0.095 2.365 12.608 1.00 74.43 C ATOM 319 CG GLU A 522 1.017 2.411 13.809 1.00 45.31 C ATOM 320 CD GLU A 522 0.654 3.515 14.779 1.00 22.23 C ATOM 321 OE1 GLU A 522 -0.217 4.344 14.466 1.00 63.13 O ATOM 322 OE2 GLU A 522 1.185 3.530 15.905 1.00 4.40 O ATOM 0 H GLU A 522 0.111 5.039 12.196 1.00 32.30 H new ATOM 0 HA GLU A 522 1.419 2.713 10.973 1.00 12.22 H new ATOM 0 HB2 GLU A 522 -0.890 2.711 12.920 1.00 74.43 H new ATOM 0 HB3 GLU A 522 -0.015 1.325 12.302 1.00 74.43 H new ATOM 0 HG2 GLU A 522 0.982 1.452 14.326 1.00 45.31 H new ATOM 0 HG3 GLU A 522 2.043 2.553 13.470 1.00 45.31 H new ATOM 329 N VAL A 523 -0.325 2.887 9.183 1.00 12.40 N ATOM 330 CA VAL A 523 -1.348 2.888 8.157 1.00 13.32 C ATOM 331 C VAL A 523 -1.854 1.478 7.944 1.00 70.13 C ATOM 332 O VAL A 523 -1.055 0.558 7.762 1.00 22.13 O ATOM 333 CB VAL A 523 -0.806 3.448 6.831 1.00 2.01 C ATOM 334 CG1 VAL A 523 -1.918 3.582 5.791 1.00 1.44 C ATOM 335 CG2 VAL A 523 -0.119 4.777 7.073 1.00 45.11 C ATOM 0 H VAL A 523 0.605 2.625 8.857 1.00 12.40 H new ATOM 0 HA VAL A 523 -2.165 3.529 8.489 1.00 13.32 H new ATOM 0 HB VAL A 523 -0.074 2.746 6.432 1.00 2.01 H new ATOM 0 HG11 VAL A 523 -1.504 3.980 4.865 1.00 1.44 H new ATOM 0 HG12 VAL A 523 -2.358 2.603 5.600 1.00 1.44 H new ATOM 0 HG13 VAL A 523 -2.687 4.258 6.165 1.00 1.44 H new ATOM 0 HG21 VAL A 523 0.262 5.167 6.129 1.00 45.11 H new ATOM 0 HG22 VAL A 523 -0.833 5.484 7.496 1.00 45.11 H new ATOM 0 HG23 VAL A 523 0.709 4.637 7.768 1.00 45.11 H new ATOM 345 N LYS A 524 -3.159 1.312 8.001 1.00 22.54 N ATOM 346 CA LYS A 524 -3.796 0.024 7.804 1.00 3.31 C ATOM 347 C LYS A 524 -3.774 -0.379 6.343 1.00 3.54 C ATOM 348 O LYS A 524 -3.681 0.465 5.447 1.00 53.01 O ATOM 349 CB LYS A 524 -5.252 0.054 8.265 1.00 35.55 C ATOM 350 CG LYS A 524 -5.480 0.266 9.745 1.00 13.33 C ATOM 351 CD LYS A 524 -4.987 -0.897 10.581 1.00 0.41 C ATOM 352 CE LYS A 524 -5.470 -0.797 12.022 1.00 74.11 C ATOM 353 NZ LYS A 524 -5.048 0.450 12.693 1.00 55.54 N ATOM 0 H LYS A 524 -3.813 2.072 8.187 1.00 22.54 H new ATOM 0 HA LYS A 524 -3.234 -0.698 8.396 1.00 3.31 H new ATOM 0 HB2 LYS A 524 -5.767 0.847 7.722 1.00 35.55 H new ATOM 0 HB3 LYS A 524 -5.722 -0.887 7.977 1.00 35.55 H new ATOM 0 HG2 LYS A 524 -4.972 1.177 10.061 1.00 13.33 H new ATOM 0 HG3 LYS A 524 -6.544 0.415 9.928 1.00 13.33 H new ATOM 0 HD2 LYS A 524 -5.335 -1.833 10.144 1.00 0.41 H new ATOM 0 HD3 LYS A 524 -3.897 -0.923 10.563 1.00 0.41 H new ATOM 0 HE2 LYS A 524 -6.558 -0.861 12.039 1.00 74.11 H new ATOM 0 HE3 LYS A 524 -5.092 -1.650 12.585 1.00 74.11 H new ATOM 0 HZ1 LYS A 524 -5.364 0.435 13.684 1.00 55.54 H new ATOM 0 HZ2 LYS A 524 -4.011 0.528 12.661 1.00 55.54 H new ATOM 0 HZ3 LYS A 524 -5.471 1.266 12.207 1.00 55.54 H new ATOM 367 N VAL A 525 -3.870 -1.655 6.126 1.00 13.24 N ATOM 368 CA VAL A 525 -3.933 -2.235 4.794 1.00 13.22 C ATOM 369 C VAL A 525 -5.148 -3.140 4.760 1.00 4.31 C ATOM 370 O VAL A 525 -5.480 -3.742 5.788 1.00 15.33 O ATOM 371 CB VAL A 525 -2.667 -3.093 4.472 1.00 33.45 C ATOM 372 CG1 VAL A 525 -2.656 -3.572 3.025 1.00 54.04 C ATOM 373 CG2 VAL A 525 -1.398 -2.343 4.781 1.00 23.05 C ATOM 0 H VAL A 525 -3.908 -2.346 6.875 1.00 13.24 H new ATOM 0 HA VAL A 525 -3.988 -1.434 4.057 1.00 13.22 H new ATOM 0 HB VAL A 525 -2.715 -3.971 5.117 1.00 33.45 H new ATOM 0 HG11 VAL A 525 -1.759 -4.164 2.845 1.00 54.04 H new ATOM 0 HG12 VAL A 525 -3.539 -4.184 2.837 1.00 54.04 H new ATOM 0 HG13 VAL A 525 -2.663 -2.711 2.357 1.00 54.04 H new ATOM 0 HG21 VAL A 525 -0.538 -2.970 4.545 1.00 23.05 H new ATOM 0 HG22 VAL A 525 -1.358 -1.433 4.183 1.00 23.05 H new ATOM 0 HG23 VAL A 525 -1.378 -2.083 5.839 1.00 23.05 H new ATOM 383 N LEU A 526 -5.835 -3.212 3.641 1.00 41.24 N ATOM 384 CA LEU A 526 -6.970 -4.101 3.530 1.00 53.25 C ATOM 385 C LEU A 526 -6.486 -5.505 3.378 1.00 51.01 C ATOM 386 O LEU A 526 -5.492 -5.767 2.689 1.00 52.43 O ATOM 387 CB LEU A 526 -7.935 -3.739 2.384 1.00 11.44 C ATOM 388 CG LEU A 526 -8.776 -2.462 2.546 1.00 73.32 C ATOM 389 CD1 LEU A 526 -9.573 -2.482 3.825 1.00 31.54 C ATOM 390 CD2 LEU A 526 -7.930 -1.241 2.483 1.00 53.30 C ATOM 0 H LEU A 526 -5.630 -2.670 2.801 1.00 41.24 H new ATOM 0 HA LEU A 526 -7.547 -3.992 4.448 1.00 53.25 H new ATOM 0 HB2 LEU A 526 -7.351 -3.644 1.469 1.00 11.44 H new ATOM 0 HB3 LEU A 526 -8.618 -4.576 2.241 1.00 11.44 H new ATOM 0 HG LEU A 526 -9.476 -2.435 1.711 1.00 73.32 H new ATOM 0 HD11 LEU A 526 -10.155 -1.564 3.905 1.00 31.54 H new ATOM 0 HD12 LEU A 526 -10.246 -3.339 3.821 1.00 31.54 H new ATOM 0 HD13 LEU A 526 -8.895 -2.557 4.675 1.00 31.54 H new ATOM 0 HD21 LEU A 526 -8.557 -0.357 2.601 1.00 53.30 H new ATOM 0 HD22 LEU A 526 -7.189 -1.270 3.282 1.00 53.30 H new ATOM 0 HD23 LEU A 526 -7.422 -1.199 1.519 1.00 53.30 H new ATOM 402 N ARG A 527 -7.158 -6.389 4.024 1.00 40.42 N ATOM 403 CA ARG A 527 -6.781 -7.752 4.030 1.00 14.23 C ATOM 404 C ARG A 527 -7.478 -8.468 2.891 1.00 24.11 C ATOM 405 O ARG A 527 -8.585 -8.098 2.485 1.00 64.24 O ATOM 406 CB ARG A 527 -7.154 -8.373 5.375 1.00 52.22 C ATOM 407 CG ARG A 527 -6.649 -9.786 5.606 1.00 1.01 C ATOM 408 CD ARG A 527 -7.173 -10.306 6.919 1.00 61.22 C ATOM 409 NE ARG A 527 -6.651 -11.631 7.270 1.00 51.43 N ATOM 410 CZ ARG A 527 -7.407 -12.681 7.643 1.00 73.14 C ATOM 411 NH1 ARG A 527 -8.735 -12.640 7.528 1.00 4.12 N ATOM 412 NH2 ARG A 527 -6.818 -13.774 8.096 1.00 31.50 N ATOM 0 H ARG A 527 -7.995 -6.181 4.569 1.00 40.42 H new ATOM 0 HA ARG A 527 -5.704 -7.846 3.892 1.00 14.23 H new ATOM 0 HB2 ARG A 527 -6.769 -7.734 6.170 1.00 52.22 H new ATOM 0 HB3 ARG A 527 -8.240 -8.375 5.466 1.00 52.22 H new ATOM 0 HG2 ARG A 527 -6.972 -10.435 4.792 1.00 1.01 H new ATOM 0 HG3 ARG A 527 -5.559 -9.797 5.609 1.00 1.01 H new ATOM 0 HD2 ARG A 527 -6.916 -9.601 7.709 1.00 61.22 H new ATOM 0 HD3 ARG A 527 -8.261 -10.352 6.875 1.00 61.22 H new ATOM 0 HE ARG A 527 -5.641 -11.767 7.228 1.00 51.43 H new ATOM 0 HH11 ARG A 527 -9.189 -11.807 7.154 1.00 4.12 H new ATOM 0 HH12 ARG A 527 -9.297 -13.442 7.814 1.00 4.12 H new ATOM 0 HH21 ARG A 527 -5.801 -13.816 8.160 1.00 31.50 H new ATOM 0 HH22 ARG A 527 -7.381 -14.576 8.381 1.00 31.50 H new ATOM 426 N THR A 528 -6.801 -9.434 2.365 1.00 32.50 N ATOM 427 CA THR A 528 -7.291 -10.270 1.318 1.00 71.40 C ATOM 428 C THR A 528 -8.575 -11.021 1.727 1.00 24.23 C ATOM 429 O THR A 528 -8.765 -11.377 2.900 1.00 15.35 O ATOM 430 CB THR A 528 -6.185 -11.274 0.898 1.00 42.42 C ATOM 431 OG1 THR A 528 -6.687 -12.200 -0.051 1.00 2.00 O ATOM 432 CG2 THR A 528 -5.613 -12.023 2.103 1.00 1.14 C ATOM 0 H THR A 528 -5.855 -9.672 2.663 1.00 32.50 H new ATOM 0 HA THR A 528 -7.551 -9.634 0.472 1.00 71.40 H new ATOM 0 HB THR A 528 -5.379 -10.697 0.445 1.00 42.42 H new ATOM 0 HG1 THR A 528 -6.421 -13.108 0.206 1.00 2.00 H new ATOM 0 HG21 THR A 528 -4.842 -12.716 1.768 1.00 1.14 H new ATOM 0 HG22 THR A 528 -5.180 -11.309 2.803 1.00 1.14 H new ATOM 0 HG23 THR A 528 -6.410 -12.578 2.598 1.00 1.14 H new ATOM 440 N SER A 529 -9.450 -11.234 0.757 1.00 4.42 N ATOM 441 CA SER A 529 -10.670 -11.983 0.958 1.00 13.03 C ATOM 442 C SER A 529 -10.321 -13.488 0.926 1.00 72.15 C ATOM 443 O SER A 529 -11.098 -14.349 1.360 1.00 64.44 O ATOM 444 CB SER A 529 -11.684 -11.611 -0.150 1.00 30.34 C ATOM 445 OG SER A 529 -12.985 -12.133 0.100 1.00 1.01 O ATOM 0 H SER A 529 -9.329 -10.888 -0.195 1.00 4.42 H new ATOM 0 HA SER A 529 -11.125 -11.746 1.920 1.00 13.03 H new ATOM 0 HB2 SER A 529 -11.742 -10.526 -0.235 1.00 30.34 H new ATOM 0 HB3 SER A 529 -11.324 -11.987 -1.108 1.00 30.34 H new ATOM 0 HG SER A 529 -13.588 -11.870 -0.626 1.00 1.01 H new ATOM 451 N GLY A 530 -9.137 -13.781 0.421 1.00 0.31 N ATOM 452 CA GLY A 530 -8.633 -15.121 0.388 1.00 2.05 C ATOM 453 C GLY A 530 -7.375 -15.198 1.191 1.00 72.25 C ATOM 454 O GLY A 530 -6.291 -14.868 0.693 1.00 33.41 O ATOM 0 H GLY A 530 -8.504 -13.087 0.024 1.00 0.31 H new ATOM 0 HA2 GLY A 530 -9.376 -15.811 0.789 1.00 2.05 H new ATOM 0 HA3 GLY A 530 -8.440 -15.423 -0.641 1.00 2.05 H new ATOM 458 N ALA A 531 -7.505 -15.560 2.436 1.00 15.44 N ATOM 459 CA ALA A 531 -6.380 -15.616 3.328 1.00 12.42 C ATOM 460 C ALA A 531 -5.924 -17.043 3.518 1.00 63.53 C ATOM 461 O ALA A 531 -6.460 -17.782 4.340 1.00 32.31 O ATOM 462 CB ALA A 531 -6.710 -14.959 4.663 1.00 21.15 C ATOM 0 H ALA A 531 -8.393 -15.825 2.862 1.00 15.44 H new ATOM 0 HA ALA A 531 -5.559 -15.057 2.880 1.00 12.42 H new ATOM 0 HB1 ALA A 531 -5.842 -15.015 5.320 1.00 21.15 H new ATOM 0 HB2 ALA A 531 -6.975 -13.914 4.499 1.00 21.15 H new ATOM 0 HB3 ALA A 531 -7.550 -15.477 5.126 1.00 21.15 H new ATOM 468 N ARG A 532 -4.977 -17.444 2.722 1.00 42.14 N ATOM 469 CA ARG A 532 -4.447 -18.769 2.787 1.00 42.33 C ATOM 470 C ARG A 532 -2.989 -18.768 3.172 1.00 11.21 C ATOM 471 O ARG A 532 -2.152 -18.214 2.464 1.00 31.24 O ATOM 472 CB ARG A 532 -4.662 -19.518 1.469 1.00 61.40 C ATOM 473 CG ARG A 532 -6.109 -19.894 1.189 1.00 74.05 C ATOM 474 CD ARG A 532 -6.661 -20.753 2.315 1.00 22.50 C ATOM 475 NE ARG A 532 -7.998 -21.268 2.031 1.00 34.31 N ATOM 476 CZ ARG A 532 -8.846 -21.746 2.949 1.00 21.05 C ATOM 477 NH1 ARG A 532 -8.506 -21.760 4.243 1.00 2.24 N ATOM 478 NH2 ARG A 532 -10.023 -22.226 2.573 1.00 74.04 N ATOM 0 H ARG A 532 -4.550 -16.856 2.006 1.00 42.14 H new ATOM 0 HA ARG A 532 -4.994 -19.296 3.569 1.00 42.33 H new ATOM 0 HB2 ARG A 532 -4.295 -18.900 0.650 1.00 61.40 H new ATOM 0 HB3 ARG A 532 -4.059 -20.426 1.478 1.00 61.40 H new ATOM 0 HG2 ARG A 532 -6.712 -18.992 1.082 1.00 74.05 H new ATOM 0 HG3 ARG A 532 -6.175 -20.435 0.245 1.00 74.05 H new ATOM 0 HD2 ARG A 532 -5.985 -21.589 2.493 1.00 22.50 H new ATOM 0 HD3 ARG A 532 -6.690 -20.166 3.233 1.00 22.50 H new ATOM 0 HE ARG A 532 -8.309 -21.263 1.059 1.00 34.31 H new ATOM 0 HH11 ARG A 532 -7.595 -21.405 4.535 1.00 2.24 H new ATOM 0 HH12 ARG A 532 -9.157 -22.126 4.938 1.00 2.24 H new ATOM 0 HH21 ARG A 532 -10.280 -22.230 1.586 1.00 74.04 H new ATOM 0 HH22 ARG A 532 -10.671 -22.591 3.271 1.00 74.04 H new ATOM 492 N GLY A 533 -2.715 -19.329 4.329 1.00 73.20 N ATOM 493 CA GLY A 533 -1.363 -19.524 4.770 1.00 1.41 C ATOM 494 C GLY A 533 -0.725 -18.274 5.293 1.00 11.53 C ATOM 495 O GLY A 533 -1.221 -17.663 6.239 1.00 41.42 O ATOM 0 H GLY A 533 -3.424 -19.660 4.984 1.00 73.20 H new ATOM 0 HA2 GLY A 533 -1.349 -20.285 5.550 1.00 1.41 H new ATOM 0 HA3 GLY A 533 -0.769 -19.907 3.940 1.00 1.41 H new ATOM 499 N ASN A 534 0.355 -17.899 4.679 1.00 63.40 N ATOM 500 CA ASN A 534 1.129 -16.754 5.050 1.00 43.25 C ATOM 501 C ASN A 534 1.570 -16.055 3.792 1.00 21.20 C ATOM 502 O ASN A 534 2.102 -16.685 2.878 1.00 32.51 O ATOM 503 CB ASN A 534 2.344 -17.204 5.869 1.00 73.34 C ATOM 504 CG ASN A 534 3.300 -16.084 6.281 1.00 71.14 C ATOM 505 OD1 ASN A 534 4.490 -16.307 6.415 1.00 52.23 O ATOM 506 ND2 ASN A 534 2.808 -14.901 6.514 1.00 21.25 N ATOM 0 H ASN A 534 0.736 -18.400 3.876 1.00 63.40 H new ATOM 0 HA ASN A 534 0.537 -16.070 5.659 1.00 43.25 H new ATOM 0 HB2 ASN A 534 1.990 -17.707 6.769 1.00 73.34 H new ATOM 0 HB3 ASN A 534 2.900 -17.941 5.290 1.00 73.34 H new ATOM 0 HD21 ASN A 534 3.422 -14.143 6.814 1.00 21.25 H new ATOM 0 HD22 ASN A 534 1.809 -14.732 6.397 1.00 21.25 H new ATOM 513 N VAL A 535 1.309 -14.787 3.716 1.00 51.12 N ATOM 514 CA VAL A 535 1.668 -14.017 2.573 1.00 22.41 C ATOM 515 C VAL A 535 2.533 -12.863 2.997 1.00 51.32 C ATOM 516 O VAL A 535 2.172 -12.087 3.899 1.00 43.22 O ATOM 517 CB VAL A 535 0.424 -13.505 1.790 1.00 3.25 C ATOM 518 CG1 VAL A 535 0.836 -12.729 0.547 1.00 2.31 C ATOM 519 CG2 VAL A 535 -0.445 -14.673 1.399 1.00 63.53 C ATOM 0 H VAL A 535 0.839 -14.257 4.450 1.00 51.12 H new ATOM 0 HA VAL A 535 2.223 -14.665 1.895 1.00 22.41 H new ATOM 0 HB VAL A 535 -0.135 -12.832 2.440 1.00 3.25 H new ATOM 0 HG11 VAL A 535 -0.055 -12.384 0.021 1.00 2.31 H new ATOM 0 HG12 VAL A 535 1.441 -11.870 0.838 1.00 2.31 H new ATOM 0 HG13 VAL A 535 1.417 -13.376 -0.110 1.00 2.31 H new ATOM 0 HG21 VAL A 535 -1.315 -14.312 0.851 1.00 63.53 H new ATOM 0 HG22 VAL A 535 0.124 -15.355 0.767 1.00 63.53 H new ATOM 0 HG23 VAL A 535 -0.773 -15.198 2.296 1.00 63.53 H new ATOM 529 N ILE A 536 3.676 -12.789 2.398 1.00 3.32 N ATOM 530 CA ILE A 536 4.603 -11.736 2.651 1.00 3.25 C ATOM 531 C ILE A 536 4.389 -10.636 1.642 1.00 32.44 C ATOM 532 O ILE A 536 4.452 -10.873 0.425 1.00 64.42 O ATOM 533 CB ILE A 536 6.068 -12.253 2.615 1.00 3.12 C ATOM 534 CG1 ILE A 536 6.338 -13.199 3.797 1.00 35.22 C ATOM 535 CG2 ILE A 536 7.067 -11.111 2.594 1.00 40.55 C ATOM 536 CD1 ILE A 536 6.120 -12.562 5.165 1.00 33.44 C ATOM 0 H ILE A 536 3.997 -13.469 1.709 1.00 3.32 H new ATOM 0 HA ILE A 536 4.430 -11.342 3.653 1.00 3.25 H new ATOM 0 HB ILE A 536 6.198 -12.813 1.689 1.00 3.12 H new ATOM 0 HG12 ILE A 536 5.690 -14.071 3.706 1.00 35.22 H new ATOM 0 HG13 ILE A 536 7.365 -13.558 3.734 1.00 35.22 H new ATOM 0 HG21 ILE A 536 8.080 -11.514 2.569 1.00 40.55 H new ATOM 0 HG22 ILE A 536 6.899 -10.497 1.709 1.00 40.55 H new ATOM 0 HG23 ILE A 536 6.941 -10.501 3.489 1.00 40.55 H new ATOM 0 HD11 ILE A 536 6.331 -13.294 5.945 1.00 33.44 H new ATOM 0 HD12 ILE A 536 6.787 -11.708 5.279 1.00 33.44 H new ATOM 0 HD13 ILE A 536 5.086 -12.229 5.251 1.00 33.44 H new ATOM 548 N VAL A 537 4.081 -9.469 2.132 1.00 71.31 N ATOM 549 CA VAL A 537 3.856 -8.327 1.285 1.00 4.40 C ATOM 550 C VAL A 537 4.953 -7.292 1.533 1.00 12.05 C ATOM 551 O VAL A 537 4.964 -6.643 2.579 1.00 5.43 O ATOM 552 CB VAL A 537 2.473 -7.664 1.550 1.00 33.41 C ATOM 553 CG1 VAL A 537 2.180 -6.579 0.518 1.00 74.34 C ATOM 554 CG2 VAL A 537 1.353 -8.700 1.592 1.00 3.41 C ATOM 0 H VAL A 537 3.978 -9.280 3.129 1.00 71.31 H new ATOM 0 HA VAL A 537 3.872 -8.675 0.252 1.00 4.40 H new ATOM 0 HB VAL A 537 2.518 -7.192 2.532 1.00 33.41 H new ATOM 0 HG11 VAL A 537 1.208 -6.132 0.726 1.00 74.34 H new ATOM 0 HG12 VAL A 537 2.951 -5.810 0.569 1.00 74.34 H new ATOM 0 HG13 VAL A 537 2.171 -7.018 -0.479 1.00 74.34 H new ATOM 0 HG21 VAL A 537 0.402 -8.201 1.779 1.00 3.41 H new ATOM 0 HG22 VAL A 537 1.306 -9.224 0.637 1.00 3.41 H new ATOM 0 HG23 VAL A 537 1.550 -9.416 2.390 1.00 3.41 H new ATOM 564 N PRO A 538 5.918 -7.163 0.623 1.00 70.30 N ATOM 565 CA PRO A 538 6.976 -6.164 0.754 1.00 13.01 C ATOM 566 C PRO A 538 6.428 -4.754 0.532 1.00 42.43 C ATOM 567 O PRO A 538 5.423 -4.575 -0.152 1.00 1.42 O ATOM 568 CB PRO A 538 7.969 -6.541 -0.349 1.00 14.41 C ATOM 569 CG PRO A 538 7.157 -7.269 -1.357 1.00 72.43 C ATOM 570 CD PRO A 538 6.062 -7.967 -0.602 1.00 51.13 C ATOM 0 HA PRO A 538 7.427 -6.156 1.746 1.00 13.01 H new ATOM 0 HB2 PRO A 538 8.435 -5.656 -0.781 1.00 14.41 H new ATOM 0 HB3 PRO A 538 8.772 -7.167 0.039 1.00 14.41 H new ATOM 0 HG2 PRO A 538 6.742 -6.579 -2.092 1.00 72.43 H new ATOM 0 HG3 PRO A 538 7.769 -7.986 -1.903 1.00 72.43 H new ATOM 0 HD2 PRO A 538 5.135 -7.994 -1.175 1.00 51.13 H new ATOM 0 HD3 PRO A 538 6.327 -9.000 -0.375 1.00 51.13 H new ATOM 578 N TYR A 539 7.059 -3.775 1.118 1.00 22.30 N ATOM 579 CA TYR A 539 6.628 -2.399 0.978 1.00 2.13 C ATOM 580 C TYR A 539 7.825 -1.494 1.108 1.00 62.34 C ATOM 581 O TYR A 539 8.848 -1.906 1.676 1.00 72.43 O ATOM 582 CB TYR A 539 5.576 -2.026 2.051 1.00 23.32 C ATOM 583 CG TYR A 539 6.083 -2.039 3.492 1.00 55.32 C ATOM 584 CD1 TYR A 539 6.039 -3.193 4.252 1.00 2.35 C ATOM 585 CD2 TYR A 539 6.593 -0.885 4.086 1.00 52.44 C ATOM 586 CE1 TYR A 539 6.488 -3.208 5.559 1.00 5.24 C ATOM 587 CE2 TYR A 539 7.047 -0.892 5.389 1.00 12.12 C ATOM 588 CZ TYR A 539 6.992 -2.055 6.121 1.00 52.42 C ATOM 589 OH TYR A 539 7.440 -2.064 7.425 1.00 31.54 O ATOM 0 H TYR A 539 7.884 -3.900 1.705 1.00 22.30 H new ATOM 0 HA TYR A 539 6.166 -2.278 -0.002 1.00 2.13 H new ATOM 0 HB2 TYR A 539 5.190 -1.031 1.828 1.00 23.32 H new ATOM 0 HB3 TYR A 539 4.738 -2.719 1.971 1.00 23.32 H new ATOM 0 HD1 TYR A 539 5.646 -4.100 3.816 1.00 2.35 H new ATOM 0 HD2 TYR A 539 6.633 0.031 3.516 1.00 52.44 H new ATOM 0 HE1 TYR A 539 6.444 -4.119 6.137 1.00 5.24 H new ATOM 0 HE2 TYR A 539 7.443 0.010 5.831 1.00 12.12 H new ATOM 0 HH TYR A 539 7.764 -1.171 7.666 1.00 31.54 H new ATOM 599 N LYS A 540 7.702 -0.280 0.614 1.00 63.43 N ATOM 600 CA LYS A 540 8.762 0.696 0.726 1.00 50.22 C ATOM 601 C LYS A 540 8.201 2.104 0.656 1.00 75.42 C ATOM 602 O LYS A 540 7.108 2.323 0.110 1.00 24.22 O ATOM 603 CB LYS A 540 9.815 0.515 -0.372 1.00 52.23 C ATOM 604 CG LYS A 540 9.290 0.719 -1.780 1.00 2.35 C ATOM 605 CD LYS A 540 10.418 0.724 -2.774 1.00 51.30 C ATOM 606 CE LYS A 540 9.917 1.017 -4.167 1.00 23.44 C ATOM 607 NZ LYS A 540 11.029 1.156 -5.126 1.00 50.21 N ATOM 0 H LYS A 540 6.871 0.055 0.127 1.00 63.43 H new ATOM 0 HA LYS A 540 9.241 0.541 1.693 1.00 50.22 H new ATOM 0 HB2 LYS A 540 10.631 1.216 -0.196 1.00 52.23 H new ATOM 0 HB3 LYS A 540 10.235 -0.488 -0.295 1.00 52.23 H new ATOM 0 HG2 LYS A 540 8.584 -0.073 -2.028 1.00 2.35 H new ATOM 0 HG3 LYS A 540 8.745 1.661 -1.837 1.00 2.35 H new ATOM 0 HD2 LYS A 540 11.157 1.472 -2.486 1.00 51.30 H new ATOM 0 HD3 LYS A 540 10.921 -0.243 -2.762 1.00 51.30 H new ATOM 0 HE2 LYS A 540 9.254 0.215 -4.492 1.00 23.44 H new ATOM 0 HE3 LYS A 540 9.328 1.934 -4.157 1.00 23.44 H new ATOM 0 HZ1 LYS A 540 10.648 1.357 -6.073 1.00 50.21 H new ATOM 0 HZ2 LYS A 540 11.648 1.937 -4.829 1.00 50.21 H new ATOM 0 HZ3 LYS A 540 11.576 0.272 -5.154 1.00 50.21 H new ATOM 621 N THR A 541 8.919 3.033 1.231 1.00 62.21 N ATOM 622 CA THR A 541 8.593 4.429 1.154 1.00 73.32 C ATOM 623 C THR A 541 9.342 5.059 -0.013 1.00 14.03 C ATOM 624 O THR A 541 10.577 5.057 -0.026 1.00 72.03 O ATOM 625 CB THR A 541 9.030 5.155 2.444 1.00 31.20 C ATOM 626 OG1 THR A 541 10.372 4.776 2.772 1.00 64.21 O ATOM 627 CG2 THR A 541 8.129 4.851 3.616 1.00 1.12 C ATOM 0 H THR A 541 9.760 2.836 1.774 1.00 62.21 H new ATOM 0 HA THR A 541 7.515 4.524 1.021 1.00 73.32 H new ATOM 0 HB THR A 541 8.965 6.226 2.250 1.00 31.20 H new ATOM 0 HG1 THR A 541 10.914 4.751 1.956 1.00 64.21 H new ATOM 0 HG21 THR A 541 8.483 5.388 4.496 1.00 1.12 H new ATOM 0 HG22 THR A 541 7.112 5.166 3.384 1.00 1.12 H new ATOM 0 HG23 THR A 541 8.141 3.779 3.816 1.00 1.12 H new ATOM 635 N ILE A 542 8.631 5.535 -0.990 1.00 24.52 N ATOM 636 CA ILE A 542 9.235 6.255 -2.084 1.00 72.44 C ATOM 637 C ILE A 542 9.392 7.682 -1.596 1.00 23.43 C ATOM 638 O ILE A 542 8.396 8.284 -1.194 1.00 4.31 O ATOM 639 CB ILE A 542 8.360 6.249 -3.398 1.00 72.41 C ATOM 640 CG1 ILE A 542 8.111 4.829 -3.966 1.00 30.33 C ATOM 641 CG2 ILE A 542 8.978 7.131 -4.475 1.00 0.51 C ATOM 642 CD1 ILE A 542 7.100 3.995 -3.203 1.00 51.31 C ATOM 0 H ILE A 542 7.618 5.439 -1.057 1.00 24.52 H new ATOM 0 HA ILE A 542 10.178 5.780 -2.353 1.00 72.44 H new ATOM 0 HB ILE A 542 7.391 6.653 -3.105 1.00 72.41 H new ATOM 0 HG12 ILE A 542 7.775 4.922 -4.999 1.00 30.33 H new ATOM 0 HG13 ILE A 542 9.059 4.292 -3.986 1.00 30.33 H new ATOM 0 HG21 ILE A 542 8.353 7.107 -5.368 1.00 0.51 H new ATOM 0 HG22 ILE A 542 9.049 8.155 -4.110 1.00 0.51 H new ATOM 0 HG23 ILE A 542 9.974 6.763 -4.719 1.00 0.51 H new ATOM 0 HD11 ILE A 542 6.998 3.020 -3.680 1.00 51.31 H new ATOM 0 HD12 ILE A 542 7.439 3.862 -2.176 1.00 51.31 H new ATOM 0 HD13 ILE A 542 6.135 4.502 -3.204 1.00 51.31 H new ATOM 654 N GLU A 543 10.623 8.199 -1.598 1.00 61.33 N ATOM 655 CA GLU A 543 10.933 9.535 -1.052 1.00 0.42 C ATOM 656 C GLU A 543 10.037 10.631 -1.610 1.00 50.01 C ATOM 657 O GLU A 543 9.639 11.545 -0.882 1.00 53.22 O ATOM 658 CB GLU A 543 12.396 9.913 -1.280 1.00 71.42 C ATOM 659 CG GLU A 543 13.406 8.989 -0.622 1.00 50.20 C ATOM 660 CD GLU A 543 14.817 9.487 -0.790 1.00 31.11 C ATOM 661 OE1 GLU A 543 15.353 9.435 -1.923 1.00 45.14 O ATOM 662 OE2 GLU A 543 15.423 9.941 0.196 1.00 1.13 O ATOM 0 H GLU A 543 11.435 7.710 -1.975 1.00 61.33 H new ATOM 0 HA GLU A 543 10.741 9.459 0.018 1.00 0.42 H new ATOM 0 HB2 GLU A 543 12.588 9.932 -2.353 1.00 71.42 H new ATOM 0 HB3 GLU A 543 12.556 10.925 -0.909 1.00 71.42 H new ATOM 0 HG2 GLU A 543 13.177 8.899 0.440 1.00 50.20 H new ATOM 0 HG3 GLU A 543 13.320 7.991 -1.053 1.00 50.20 H new ATOM 669 N GLY A 544 9.743 10.552 -2.889 1.00 65.23 N ATOM 670 CA GLY A 544 8.913 11.533 -3.532 1.00 53.41 C ATOM 671 C GLY A 544 9.675 12.809 -3.745 1.00 50.42 C ATOM 672 O GLY A 544 10.282 13.016 -4.791 1.00 54.10 O ATOM 0 H GLY A 544 10.073 9.809 -3.505 1.00 65.23 H new ATOM 0 HA2 GLY A 544 8.561 11.149 -4.489 1.00 53.41 H new ATOM 0 HA3 GLY A 544 8.030 11.727 -2.922 1.00 53.41 H new ATOM 676 N THR A 545 9.662 13.645 -2.752 1.00 33.33 N ATOM 677 CA THR A 545 10.393 14.881 -2.790 1.00 20.21 C ATOM 678 C THR A 545 10.963 15.172 -1.375 1.00 31.44 C ATOM 679 O THR A 545 11.441 16.278 -1.061 1.00 70.03 O ATOM 680 CB THR A 545 9.488 16.034 -3.344 1.00 33.31 C ATOM 681 OG1 THR A 545 10.221 17.253 -3.496 1.00 32.13 O ATOM 682 CG2 THR A 545 8.274 16.270 -2.461 1.00 3.00 C ATOM 0 H THR A 545 9.143 13.491 -1.888 1.00 33.33 H new ATOM 0 HA THR A 545 11.237 14.807 -3.475 1.00 20.21 H new ATOM 0 HB THR A 545 9.143 15.712 -4.326 1.00 33.31 H new ATOM 0 HG1 THR A 545 10.870 17.337 -2.767 1.00 32.13 H new ATOM 0 HG21 THR A 545 7.672 17.077 -2.879 1.00 3.00 H new ATOM 0 HG22 THR A 545 7.677 15.359 -2.412 1.00 3.00 H new ATOM 0 HG23 THR A 545 8.601 16.543 -1.458 1.00 3.00 H new ATOM 690 N ALA A 546 10.929 14.143 -0.542 1.00 65.14 N ATOM 691 CA ALA A 546 11.458 14.191 0.802 1.00 25.21 C ATOM 692 C ALA A 546 12.879 13.609 0.815 1.00 13.13 C ATOM 693 O ALA A 546 13.481 13.407 -0.244 1.00 35.10 O ATOM 694 CB ALA A 546 10.549 13.406 1.723 1.00 23.32 C ATOM 0 H ALA A 546 10.526 13.240 -0.790 1.00 65.14 H new ATOM 0 HA ALA A 546 11.504 15.223 1.149 1.00 25.21 H new ATOM 0 HB1 ALA A 546 10.944 13.439 2.739 1.00 23.32 H new ATOM 0 HB2 ALA A 546 9.550 13.843 1.707 1.00 23.32 H new ATOM 0 HB3 ALA A 546 10.497 12.370 1.387 1.00 23.32 H new ATOM 700 N ARG A 547 13.411 13.347 1.989 1.00 64.14 N ATOM 701 CA ARG A 547 14.743 12.821 2.126 1.00 55.20 C ATOM 702 C ARG A 547 14.679 11.718 3.168 1.00 73.05 C ATOM 703 O ARG A 547 14.262 11.963 4.311 1.00 44.42 O ATOM 704 CB ARG A 547 15.679 13.934 2.619 1.00 11.14 C ATOM 705 CG ARG A 547 17.176 13.750 2.343 1.00 34.22 C ATOM 706 CD ARG A 547 17.740 12.422 2.804 1.00 44.22 C ATOM 707 NE ARG A 547 19.209 12.432 2.919 1.00 63.41 N ATOM 708 CZ ARG A 547 20.042 11.589 2.297 1.00 74.14 C ATOM 709 NH1 ARG A 547 19.617 10.841 1.295 1.00 4.40 N ATOM 710 NH2 ARG A 547 21.318 11.544 2.648 1.00 61.23 N ATOM 0 H ARG A 547 12.927 13.495 2.875 1.00 64.14 H new ATOM 0 HA ARG A 547 15.117 12.441 1.175 1.00 55.20 H new ATOM 0 HB2 ARG A 547 15.362 14.872 2.163 1.00 11.14 H new ATOM 0 HB3 ARG A 547 15.542 14.041 3.695 1.00 11.14 H new ATOM 0 HG2 ARG A 547 17.351 13.853 1.272 1.00 34.22 H new ATOM 0 HG3 ARG A 547 17.725 14.554 2.834 1.00 34.22 H new ATOM 0 HD2 ARG A 547 17.307 12.165 3.771 1.00 44.22 H new ATOM 0 HD3 ARG A 547 17.441 11.643 2.103 1.00 44.22 H new ATOM 0 HE ARG A 547 19.626 13.140 3.523 1.00 63.41 H new ATOM 0 HH11 ARG A 547 18.646 10.903 0.989 1.00 4.40 H new ATOM 0 HH12 ARG A 547 20.260 10.202 0.827 1.00 4.40 H new ATOM 0 HH21 ARG A 547 21.664 12.151 3.391 1.00 61.23 H new ATOM 0 HH22 ARG A 547 21.955 10.902 2.175 1.00 61.23 H new ATOM 724 N GLY A 548 15.089 10.541 2.787 1.00 41.20 N ATOM 725 CA GLY A 548 15.070 9.404 3.688 1.00 13.31 C ATOM 726 C GLY A 548 16.233 9.410 4.670 1.00 14.01 C ATOM 727 O GLY A 548 16.752 10.474 5.027 1.00 31.14 O ATOM 0 H GLY A 548 15.444 10.335 1.853 1.00 41.20 H new ATOM 0 HA2 GLY A 548 14.132 9.402 4.243 1.00 13.31 H new ATOM 0 HA3 GLY A 548 15.098 8.484 3.105 1.00 13.31 H new ATOM 731 N GLY A 549 16.607 8.235 5.136 1.00 25.14 N ATOM 732 CA GLY A 549 17.739 8.074 6.043 1.00 11.13 C ATOM 733 C GLY A 549 17.575 8.746 7.398 1.00 63.01 C ATOM 734 O GLY A 549 18.534 8.842 8.158 1.00 61.04 O ATOM 0 H GLY A 549 16.138 7.361 4.900 1.00 25.14 H new ATOM 0 HA2 GLY A 549 17.911 7.009 6.200 1.00 11.13 H new ATOM 0 HA3 GLY A 549 18.631 8.473 5.561 1.00 11.13 H new ATOM 738 N GLY A 550 16.381 9.214 7.709 1.00 21.13 N ATOM 739 CA GLY A 550 16.168 9.875 8.962 1.00 14.12 C ATOM 740 C GLY A 550 16.501 11.354 8.889 1.00 1.13 C ATOM 741 O GLY A 550 16.652 12.006 9.916 1.00 50.54 O ATOM 0 H GLY A 550 15.557 9.145 7.111 1.00 21.13 H new ATOM 0 HA2 GLY A 550 15.128 9.752 9.264 1.00 14.12 H new ATOM 0 HA3 GLY A 550 16.781 9.403 9.730 1.00 14.12 H new ATOM 745 N GLU A 551 16.645 11.878 7.678 1.00 54.33 N ATOM 746 CA GLU A 551 16.931 13.296 7.492 1.00 31.23 C ATOM 747 C GLU A 551 15.628 14.087 7.514 1.00 12.34 C ATOM 748 O GLU A 551 15.411 14.927 8.395 1.00 11.22 O ATOM 749 CB GLU A 551 17.723 13.510 6.188 1.00 4.03 C ATOM 750 CG GLU A 551 18.090 14.961 5.851 1.00 74.32 C ATOM 751 CD GLU A 551 19.152 15.065 4.785 1.00 71.43 C ATOM 752 OE1 GLU A 551 20.142 14.312 4.837 1.00 22.30 O ATOM 753 OE2 GLU A 551 18.998 15.855 3.840 1.00 11.02 O ATOM 0 H GLU A 551 16.569 11.345 6.812 1.00 54.33 H new ATOM 0 HA GLU A 551 17.554 13.661 8.309 1.00 31.23 H new ATOM 0 HB2 GLU A 551 18.643 12.928 6.246 1.00 4.03 H new ATOM 0 HB3 GLU A 551 17.140 13.103 5.362 1.00 4.03 H new ATOM 0 HG2 GLU A 551 17.196 15.489 5.519 1.00 74.32 H new ATOM 0 HG3 GLU A 551 18.439 15.462 6.754 1.00 74.32 H new ATOM 760 N ASP A 552 14.755 13.793 6.575 1.00 74.54 N ATOM 761 CA ASP A 552 13.448 14.436 6.519 1.00 33.22 C ATOM 762 C ASP A 552 12.403 13.447 6.983 1.00 72.24 C ATOM 763 O ASP A 552 11.450 13.801 7.665 1.00 54.14 O ATOM 764 CB ASP A 552 13.143 14.939 5.104 1.00 33.22 C ATOM 765 CG ASP A 552 11.814 15.651 4.984 1.00 13.15 C ATOM 766 OD1 ASP A 552 10.801 15.006 4.713 1.00 72.31 O ATOM 767 OD2 ASP A 552 11.767 16.921 5.139 1.00 10.13 O ATOM 0 H ASP A 552 14.922 13.111 5.835 1.00 74.54 H new ATOM 0 HA ASP A 552 13.441 15.306 7.175 1.00 33.22 H new ATOM 0 HB2 ASP A 552 13.937 15.616 4.790 1.00 33.22 H new ATOM 0 HB3 ASP A 552 13.155 14.093 4.417 1.00 33.22 H new ATOM 772 N PHE A 553 12.604 12.194 6.622 1.00 53.43 N ATOM 773 CA PHE A 553 11.779 11.133 7.106 1.00 50.15 C ATOM 774 C PHE A 553 12.625 9.882 7.214 1.00 64.21 C ATOM 775 O PHE A 553 13.729 9.816 6.640 1.00 61.21 O ATOM 776 CB PHE A 553 10.545 10.891 6.225 1.00 51.43 C ATOM 777 CG PHE A 553 10.776 10.134 4.943 1.00 32.40 C ATOM 778 CD1 PHE A 553 11.364 10.732 3.853 1.00 25.12 C ATOM 779 CD2 PHE A 553 10.360 8.825 4.837 1.00 41.52 C ATOM 780 CE1 PHE A 553 11.539 10.033 2.674 1.00 32.01 C ATOM 781 CE2 PHE A 553 10.535 8.120 3.672 1.00 32.10 C ATOM 782 CZ PHE A 553 11.124 8.723 2.585 1.00 40.03 C ATOM 0 H PHE A 553 13.344 11.896 5.987 1.00 53.43 H new ATOM 0 HA PHE A 553 11.392 11.414 8.085 1.00 50.15 H new ATOM 0 HB2 PHE A 553 9.806 10.348 6.814 1.00 51.43 H new ATOM 0 HB3 PHE A 553 10.107 11.858 5.977 1.00 51.43 H new ATOM 0 HD1 PHE A 553 11.692 11.759 3.919 1.00 25.12 H new ATOM 0 HD2 PHE A 553 9.889 8.346 5.683 1.00 41.52 H new ATOM 0 HE1 PHE A 553 12.000 10.513 1.824 1.00 32.01 H new ATOM 0 HE2 PHE A 553 10.210 7.092 3.609 1.00 32.10 H new ATOM 0 HZ PHE A 553 11.260 8.172 1.666 1.00 40.03 H new ATOM 792 N GLU A 554 12.157 8.922 7.949 1.00 1.44 N ATOM 793 CA GLU A 554 12.859 7.686 8.100 1.00 23.15 C ATOM 794 C GLU A 554 12.283 6.745 7.041 1.00 20.20 C ATOM 795 O GLU A 554 11.105 6.384 7.101 1.00 71.01 O ATOM 796 CB GLU A 554 12.618 7.167 9.525 1.00 70.30 C ATOM 797 CG GLU A 554 13.674 6.226 10.091 1.00 13.54 C ATOM 798 CD GLU A 554 13.877 4.971 9.299 1.00 42.21 C ATOM 799 OE1 GLU A 554 13.141 3.988 9.510 1.00 72.33 O ATOM 800 OE2 GLU A 554 14.799 4.934 8.471 1.00 42.24 O ATOM 0 H GLU A 554 11.277 8.973 8.462 1.00 1.44 H new ATOM 0 HA GLU A 554 13.936 7.779 7.963 1.00 23.15 H new ATOM 0 HB2 GLU A 554 12.533 8.025 10.191 1.00 70.30 H new ATOM 0 HB3 GLU A 554 11.657 6.653 9.543 1.00 70.30 H new ATOM 0 HG2 GLU A 554 14.623 6.759 10.152 1.00 13.54 H new ATOM 0 HG3 GLU A 554 13.394 5.957 11.109 1.00 13.54 H new ATOM 807 N ASP A 555 13.083 6.411 6.046 1.00 70.52 N ATOM 808 CA ASP A 555 12.595 5.609 4.934 1.00 32.55 C ATOM 809 C ASP A 555 12.595 4.148 5.300 1.00 51.44 C ATOM 810 O ASP A 555 13.626 3.566 5.676 1.00 71.42 O ATOM 811 CB ASP A 555 13.369 5.868 3.615 1.00 65.22 C ATOM 812 CG ASP A 555 14.777 5.340 3.599 1.00 71.15 C ATOM 813 OD1 ASP A 555 15.629 5.861 4.352 1.00 4.14 O ATOM 814 OD2 ASP A 555 15.060 4.391 2.830 1.00 45.20 O ATOM 0 H ASP A 555 14.065 6.678 5.982 1.00 70.52 H new ATOM 0 HA ASP A 555 11.568 5.919 4.741 1.00 32.55 H new ATOM 0 HB2 ASP A 555 12.817 5.417 2.791 1.00 65.22 H new ATOM 0 HB3 ASP A 555 13.396 6.942 3.430 1.00 65.22 H new ATOM 819 N THR A 556 11.463 3.553 5.189 1.00 2.13 N ATOM 820 CA THR A 556 11.298 2.217 5.616 1.00 63.30 C ATOM 821 C THR A 556 10.875 1.331 4.455 1.00 24.41 C ATOM 822 O THR A 556 10.119 1.741 3.560 1.00 35.04 O ATOM 823 CB THR A 556 10.301 2.115 6.823 1.00 34.23 C ATOM 824 OG1 THR A 556 10.207 0.766 7.317 1.00 62.53 O ATOM 825 CG2 THR A 556 8.916 2.605 6.450 1.00 34.42 C ATOM 0 H THR A 556 10.624 3.982 4.798 1.00 2.13 H new ATOM 0 HA THR A 556 12.262 1.856 5.975 1.00 63.30 H new ATOM 0 HB THR A 556 10.702 2.756 7.608 1.00 34.23 H new ATOM 0 HG1 THR A 556 9.580 0.736 8.069 1.00 62.53 H new ATOM 0 HG21 THR A 556 8.255 2.518 7.312 1.00 34.42 H new ATOM 0 HG22 THR A 556 8.971 3.648 6.138 1.00 34.42 H new ATOM 0 HG23 THR A 556 8.525 2.002 5.631 1.00 34.42 H new ATOM 833 N CYS A 557 11.415 0.166 4.449 1.00 32.23 N ATOM 834 CA CYS A 557 11.124 -0.838 3.499 1.00 53.24 C ATOM 835 C CYS A 557 11.190 -2.148 4.225 1.00 74.22 C ATOM 836 O CYS A 557 12.105 -2.367 5.017 1.00 14.32 O ATOM 837 CB CYS A 557 12.105 -0.770 2.316 1.00 52.10 C ATOM 838 SG CYS A 557 13.851 -0.643 2.786 1.00 32.15 S ATOM 0 H CYS A 557 12.105 -0.124 5.142 1.00 32.23 H new ATOM 0 HA CYS A 557 10.133 -0.705 3.066 1.00 53.24 H new ATOM 0 HB2 CYS A 557 11.972 -1.660 1.700 1.00 52.10 H new ATOM 0 HB3 CYS A 557 11.846 0.088 1.696 1.00 52.10 H new ATOM 0 HG CYS A 557 14.586 -0.595 1.715 1.00 32.15 H new ATOM 844 N GLY A 558 10.234 -2.985 4.017 1.00 42.30 N ATOM 845 CA GLY A 558 10.193 -4.195 4.743 1.00 75.11 C ATOM 846 C GLY A 558 9.207 -5.123 4.160 1.00 71.24 C ATOM 847 O GLY A 558 8.873 -5.010 2.970 1.00 12.23 O ATOM 0 H GLY A 558 9.474 -2.850 3.350 1.00 42.30 H new ATOM 0 HA2 GLY A 558 11.180 -4.658 4.742 1.00 75.11 H new ATOM 0 HA3 GLY A 558 9.937 -3.992 5.783 1.00 75.11 H new ATOM 851 N GLU A 559 8.698 -5.994 4.976 1.00 44.14 N ATOM 852 CA GLU A 559 7.807 -7.036 4.550 1.00 33.32 C ATOM 853 C GLU A 559 6.707 -7.231 5.586 1.00 43.44 C ATOM 854 O GLU A 559 6.987 -7.430 6.766 1.00 74.03 O ATOM 855 CB GLU A 559 8.614 -8.317 4.397 1.00 41.44 C ATOM 856 CG GLU A 559 9.667 -8.286 3.291 1.00 35.51 C ATOM 857 CD GLU A 559 10.625 -9.439 3.385 1.00 3.23 C ATOM 858 OE1 GLU A 559 11.604 -9.338 4.155 1.00 35.24 O ATOM 859 OE2 GLU A 559 10.424 -10.469 2.714 1.00 15.45 O ATOM 0 H GLU A 559 8.892 -6.003 5.977 1.00 44.14 H new ATOM 0 HA GLU A 559 7.342 -6.772 3.600 1.00 33.32 H new ATOM 0 HB2 GLU A 559 9.109 -8.532 5.344 1.00 41.44 H new ATOM 0 HB3 GLU A 559 7.927 -9.141 4.202 1.00 41.44 H new ATOM 0 HG2 GLU A 559 9.172 -8.306 2.320 1.00 35.51 H new ATOM 0 HG3 GLU A 559 10.222 -7.350 3.347 1.00 35.51 H new ATOM 866 N LEU A 560 5.477 -7.142 5.154 1.00 1.41 N ATOM 867 CA LEU A 560 4.335 -7.345 6.020 1.00 4.23 C ATOM 868 C LEU A 560 3.930 -8.797 6.012 1.00 23.15 C ATOM 869 O LEU A 560 3.856 -9.425 4.954 1.00 54.02 O ATOM 870 CB LEU A 560 3.159 -6.462 5.605 1.00 12.24 C ATOM 871 CG LEU A 560 3.363 -4.960 5.768 1.00 12.01 C ATOM 872 CD1 LEU A 560 2.182 -4.198 5.215 1.00 31.43 C ATOM 873 CD2 LEU A 560 3.583 -4.603 7.231 1.00 14.53 C ATOM 0 H LEU A 560 5.233 -6.926 4.188 1.00 1.41 H new ATOM 0 HA LEU A 560 4.623 -7.062 7.032 1.00 4.23 H new ATOM 0 HB2 LEU A 560 2.928 -6.666 4.560 1.00 12.24 H new ATOM 0 HB3 LEU A 560 2.286 -6.756 6.188 1.00 12.24 H new ATOM 0 HG LEU A 560 4.252 -4.676 5.205 1.00 12.01 H new ATOM 0 HD11 LEU A 560 2.348 -3.128 5.341 1.00 31.43 H new ATOM 0 HD12 LEU A 560 2.067 -4.425 4.155 1.00 31.43 H new ATOM 0 HD13 LEU A 560 1.278 -4.491 5.749 1.00 31.43 H new ATOM 0 HD21 LEU A 560 3.727 -3.527 7.325 1.00 14.53 H new ATOM 0 HD22 LEU A 560 2.713 -4.906 7.814 1.00 14.53 H new ATOM 0 HD23 LEU A 560 4.467 -5.121 7.603 1.00 14.53 H new ATOM 885 N GLU A 561 3.677 -9.315 7.182 1.00 22.32 N ATOM 886 CA GLU A 561 3.341 -10.697 7.358 1.00 0.53 C ATOM 887 C GLU A 561 1.827 -10.879 7.576 1.00 41.23 C ATOM 888 O GLU A 561 1.303 -10.600 8.652 1.00 24.43 O ATOM 889 CB GLU A 561 4.169 -11.263 8.529 1.00 42.33 C ATOM 890 CG GLU A 561 3.954 -12.732 8.840 1.00 3.12 C ATOM 891 CD GLU A 561 4.907 -13.234 9.898 1.00 53.54 C ATOM 892 OE1 GLU A 561 4.769 -12.853 11.079 1.00 72.44 O ATOM 893 OE2 GLU A 561 5.817 -14.023 9.563 1.00 42.41 O ATOM 0 H GLU A 561 3.699 -8.780 8.050 1.00 22.32 H new ATOM 0 HA GLU A 561 3.587 -11.254 6.454 1.00 0.53 H new ATOM 0 HB2 GLU A 561 5.226 -11.108 8.310 1.00 42.33 H new ATOM 0 HB3 GLU A 561 3.940 -10.684 9.424 1.00 42.33 H new ATOM 0 HG2 GLU A 561 2.928 -12.885 9.175 1.00 3.12 H new ATOM 0 HG3 GLU A 561 4.083 -13.317 7.930 1.00 3.12 H new ATOM 900 N PHE A 562 1.139 -11.277 6.528 1.00 2.00 N ATOM 901 CA PHE A 562 -0.282 -11.602 6.605 1.00 3.30 C ATOM 902 C PHE A 562 -0.443 -13.086 6.694 1.00 3.42 C ATOM 903 O PHE A 562 0.324 -13.826 6.084 1.00 50.20 O ATOM 904 CB PHE A 562 -1.052 -11.118 5.382 1.00 31.11 C ATOM 905 CG PHE A 562 -1.454 -9.683 5.395 1.00 33.24 C ATOM 906 CD1 PHE A 562 -0.634 -8.706 4.867 1.00 21.25 C ATOM 907 CD2 PHE A 562 -2.694 -9.322 5.900 1.00 21.22 C ATOM 908 CE1 PHE A 562 -1.042 -7.387 4.836 1.00 62.32 C ATOM 909 CE2 PHE A 562 -3.104 -8.006 5.882 1.00 72.03 C ATOM 910 CZ PHE A 562 -2.281 -7.037 5.346 1.00 11.01 C ATOM 0 H PHE A 562 1.541 -11.387 5.597 1.00 2.00 H new ATOM 0 HA PHE A 562 -0.682 -11.101 7.487 1.00 3.30 H new ATOM 0 HB2 PHE A 562 -0.441 -11.297 4.497 1.00 31.11 H new ATOM 0 HB3 PHE A 562 -1.950 -11.727 5.277 1.00 31.11 H new ATOM 0 HD1 PHE A 562 0.335 -8.976 4.475 1.00 21.25 H new ATOM 0 HD2 PHE A 562 -3.345 -10.079 6.311 1.00 21.22 H new ATOM 0 HE1 PHE A 562 -0.396 -6.630 4.415 1.00 62.32 H new ATOM 0 HE2 PHE A 562 -4.068 -7.734 6.287 1.00 72.03 H new ATOM 0 HZ PHE A 562 -2.603 -6.006 5.324 1.00 11.01 H new ATOM 920 N GLN A 563 -1.417 -13.542 7.431 1.00 55.45 N ATOM 921 CA GLN A 563 -1.633 -14.962 7.573 1.00 34.10 C ATOM 922 C GLN A 563 -3.113 -15.263 7.520 1.00 54.23 C ATOM 923 O GLN A 563 -3.939 -14.345 7.531 1.00 25.01 O ATOM 924 CB GLN A 563 -1.032 -15.489 8.893 1.00 44.55 C ATOM 925 CG GLN A 563 0.439 -15.157 9.079 1.00 33.15 C ATOM 926 CD GLN A 563 1.033 -15.749 10.333 1.00 13.13 C ATOM 927 OE1 GLN A 563 1.008 -15.143 11.399 1.00 73.03 O ATOM 928 NE2 GLN A 563 1.588 -16.923 10.218 1.00 45.12 N ATOM 0 H GLN A 563 -2.075 -12.955 7.944 1.00 55.45 H new ATOM 0 HA GLN A 563 -1.130 -15.468 6.749 1.00 34.10 H new ATOM 0 HB2 GLN A 563 -1.596 -15.074 9.728 1.00 44.55 H new ATOM 0 HB3 GLN A 563 -1.157 -16.571 8.931 1.00 44.55 H new ATOM 0 HG2 GLN A 563 0.997 -15.519 8.216 1.00 33.15 H new ATOM 0 HG3 GLN A 563 0.559 -14.074 9.105 1.00 33.15 H new ATOM 0 HE21 GLN A 563 1.591 -17.400 9.316 1.00 45.12 H new ATOM 0 HE22 GLN A 563 2.019 -17.365 11.030 1.00 45.12 H new ATOM 937 N ASN A 564 -3.442 -16.531 7.459 1.00 41.14 N ATOM 938 CA ASN A 564 -4.827 -16.992 7.484 1.00 14.10 C ATOM 939 C ASN A 564 -5.494 -16.666 8.815 1.00 60.34 C ATOM 940 O ASN A 564 -6.707 -16.492 8.885 1.00 61.10 O ATOM 941 CB ASN A 564 -4.949 -18.505 7.157 1.00 11.34 C ATOM 942 CG ASN A 564 -4.012 -19.409 7.953 1.00 53.32 C ATOM 943 OD1 ASN A 564 -3.583 -19.082 9.050 1.00 42.41 O ATOM 944 ND2 ASN A 564 -3.724 -20.570 7.420 1.00 52.42 N ATOM 0 H ASN A 564 -2.758 -17.285 7.390 1.00 41.14 H new ATOM 0 HA ASN A 564 -5.353 -16.451 6.698 1.00 14.10 H new ATOM 0 HB2 ASN A 564 -5.977 -18.820 7.339 1.00 11.34 H new ATOM 0 HB3 ASN A 564 -4.755 -18.650 6.094 1.00 11.34 H new ATOM 0 HD21 ASN A 564 -3.128 -21.228 7.922 1.00 52.42 H new ATOM 0 HD22 ASN A 564 -4.096 -20.816 6.503 1.00 52.42 H new ATOM 951 N ASP A 565 -4.698 -16.581 9.856 1.00 21.15 N ATOM 952 CA ASP A 565 -5.190 -16.221 11.194 1.00 55.32 C ATOM 953 C ASP A 565 -4.905 -14.751 11.529 1.00 55.32 C ATOM 954 O ASP A 565 -5.593 -14.145 12.360 1.00 4.53 O ATOM 955 CB ASP A 565 -4.568 -17.127 12.272 1.00 55.24 C ATOM 956 CG ASP A 565 -3.058 -17.014 12.353 1.00 60.52 C ATOM 957 OD1 ASP A 565 -2.357 -17.776 11.650 1.00 62.12 O ATOM 958 OD2 ASP A 565 -2.545 -16.177 13.110 1.00 62.51 O ATOM 0 H ASP A 565 -3.694 -16.756 9.815 1.00 21.15 H new ATOM 0 HA ASP A 565 -6.270 -16.367 11.184 1.00 55.32 H new ATOM 0 HB2 ASP A 565 -4.997 -16.873 13.241 1.00 55.24 H new ATOM 0 HB3 ASP A 565 -4.837 -18.163 12.066 1.00 55.24 H new ATOM 963 N GLU A 566 -3.908 -14.179 10.886 1.00 62.41 N ATOM 964 CA GLU A 566 -3.520 -12.792 11.140 1.00 32.23 C ATOM 965 C GLU A 566 -4.365 -11.848 10.301 1.00 52.11 C ATOM 966 O GLU A 566 -4.454 -12.008 9.067 1.00 31.41 O ATOM 967 CB GLU A 566 -2.029 -12.580 10.823 1.00 13.45 C ATOM 968 CG GLU A 566 -1.538 -11.147 11.019 1.00 31.43 C ATOM 969 CD GLU A 566 -1.650 -10.676 12.448 1.00 22.52 C ATOM 970 OE1 GLU A 566 -2.765 -10.379 12.908 1.00 75.21 O ATOM 971 OE2 GLU A 566 -0.607 -10.576 13.127 1.00 2.24 O ATOM 0 H GLU A 566 -3.344 -14.650 10.178 1.00 62.41 H new ATOM 0 HA GLU A 566 -3.687 -12.577 12.196 1.00 32.23 H new ATOM 0 HB2 GLU A 566 -1.438 -13.243 11.455 1.00 13.45 H new ATOM 0 HB3 GLU A 566 -1.844 -12.876 9.790 1.00 13.45 H new ATOM 0 HG2 GLU A 566 -0.498 -11.078 10.700 1.00 31.43 H new ATOM 0 HG3 GLU A 566 -2.113 -10.481 10.376 1.00 31.43 H new ATOM 978 N ILE A 567 -4.957 -10.858 10.931 1.00 21.44 N ATOM 979 CA ILE A 567 -5.779 -9.941 10.227 1.00 12.31 C ATOM 980 C ILE A 567 -5.167 -8.575 10.307 1.00 13.53 C ATOM 981 O ILE A 567 -4.649 -8.190 11.363 1.00 34.21 O ATOM 982 CB ILE A 567 -7.275 -9.909 10.723 1.00 73.15 C ATOM 983 CG1 ILE A 567 -7.467 -9.182 12.066 1.00 64.05 C ATOM 984 CG2 ILE A 567 -7.857 -11.306 10.798 1.00 70.25 C ATOM 985 CD1 ILE A 567 -7.927 -7.742 11.929 1.00 21.21 C ATOM 0 H ILE A 567 -4.875 -10.680 11.932 1.00 21.44 H new ATOM 0 HA ILE A 567 -5.825 -10.282 9.193 1.00 12.31 H new ATOM 0 HB ILE A 567 -7.817 -9.330 9.975 1.00 73.15 H new ATOM 0 HG12 ILE A 567 -8.196 -9.730 12.663 1.00 64.05 H new ATOM 0 HG13 ILE A 567 -6.526 -9.201 12.615 1.00 64.05 H new ATOM 0 HG21 ILE A 567 -8.890 -11.252 11.143 1.00 70.25 H new ATOM 0 HG22 ILE A 567 -7.828 -11.766 9.810 1.00 70.25 H new ATOM 0 HG23 ILE A 567 -7.273 -11.907 11.495 1.00 70.25 H new ATOM 0 HD11 ILE A 567 -8.039 -7.300 12.919 1.00 21.21 H new ATOM 0 HD12 ILE A 567 -7.189 -7.177 11.361 1.00 21.21 H new ATOM 0 HD13 ILE A 567 -8.884 -7.714 11.409 1.00 21.21 H new ATOM 997 N VAL A 568 -5.211 -7.885 9.178 1.00 23.32 N ATOM 998 CA VAL A 568 -4.744 -6.505 8.976 1.00 12.11 C ATOM 999 C VAL A 568 -3.238 -6.296 9.302 1.00 42.21 C ATOM 1000 O VAL A 568 -2.623 -7.039 10.061 1.00 54.22 O ATOM 1001 CB VAL A 568 -5.646 -5.458 9.732 1.00 62.34 C ATOM 1002 CG1 VAL A 568 -5.252 -5.251 11.194 1.00 62.13 C ATOM 1003 CG2 VAL A 568 -5.740 -4.142 8.977 1.00 2.43 C ATOM 0 H VAL A 568 -5.594 -8.289 8.323 1.00 23.32 H new ATOM 0 HA VAL A 568 -4.845 -6.325 7.906 1.00 12.11 H new ATOM 0 HB VAL A 568 -6.644 -5.895 9.758 1.00 62.34 H new ATOM 0 HG11 VAL A 568 -5.917 -4.517 11.650 1.00 62.13 H new ATOM 0 HG12 VAL A 568 -5.334 -6.197 11.730 1.00 62.13 H new ATOM 0 HG13 VAL A 568 -4.224 -4.892 11.246 1.00 62.13 H new ATOM 0 HG21 VAL A 568 -6.371 -3.448 9.532 1.00 2.43 H new ATOM 0 HG22 VAL A 568 -4.743 -3.715 8.864 1.00 2.43 H new ATOM 0 HG23 VAL A 568 -6.173 -4.318 7.992 1.00 2.43 H new ATOM 1013 N LYS A 569 -2.652 -5.322 8.679 1.00 24.13 N ATOM 1014 CA LYS A 569 -1.287 -4.957 8.947 1.00 64.42 C ATOM 1015 C LYS A 569 -1.168 -3.470 8.912 1.00 34.50 C ATOM 1016 O LYS A 569 -2.091 -2.781 8.450 1.00 54.55 O ATOM 1017 CB LYS A 569 -0.286 -5.603 7.970 1.00 73.30 C ATOM 1018 CG LYS A 569 0.030 -7.105 8.170 1.00 74.34 C ATOM 1019 CD LYS A 569 1.047 -7.380 9.296 1.00 64.33 C ATOM 1020 CE LYS A 569 0.477 -7.247 10.707 1.00 71.43 C ATOM 1021 NZ LYS A 569 1.494 -7.462 11.748 1.00 71.32 N ATOM 0 H LYS A 569 -3.105 -4.752 7.965 1.00 24.13 H new ATOM 0 HA LYS A 569 -1.030 -5.336 9.936 1.00 64.42 H new ATOM 0 HB2 LYS A 569 -0.668 -5.470 6.958 1.00 73.30 H new ATOM 0 HB3 LYS A 569 0.651 -5.050 8.032 1.00 73.30 H new ATOM 0 HG2 LYS A 569 -0.896 -7.636 8.391 1.00 74.34 H new ATOM 0 HG3 LYS A 569 0.416 -7.513 7.236 1.00 74.34 H new ATOM 0 HD2 LYS A 569 1.445 -8.387 9.171 1.00 64.33 H new ATOM 0 HD3 LYS A 569 1.884 -6.691 9.189 1.00 64.33 H new ATOM 0 HE2 LYS A 569 0.042 -6.255 10.828 1.00 71.43 H new ATOM 0 HE3 LYS A 569 -0.331 -7.967 10.838 1.00 71.43 H new ATOM 0 HZ1 LYS A 569 1.057 -7.361 12.686 1.00 71.32 H new ATOM 0 HZ2 LYS A 569 1.892 -8.418 11.652 1.00 71.32 H new ATOM 0 HZ3 LYS A 569 2.253 -6.759 11.642 1.00 71.32 H new ATOM 1035 N THR A 570 -0.075 -2.984 9.409 1.00 41.02 N ATOM 1036 CA THR A 570 0.198 -1.577 9.445 1.00 73.21 C ATOM 1037 C THR A 570 1.611 -1.290 8.988 1.00 64.40 C ATOM 1038 O THR A 570 2.536 -2.074 9.256 1.00 73.21 O ATOM 1039 CB THR A 570 -0.006 -1.002 10.866 1.00 4.32 C ATOM 1040 OG1 THR A 570 0.557 -1.893 11.839 1.00 34.41 O ATOM 1041 CG2 THR A 570 -1.473 -0.758 11.171 1.00 1.44 C ATOM 0 H THR A 570 0.666 -3.560 9.808 1.00 41.02 H new ATOM 0 HA THR A 570 -0.505 -1.095 8.765 1.00 73.21 H new ATOM 0 HB THR A 570 0.505 -0.040 10.912 1.00 4.32 H new ATOM 0 HG1 THR A 570 0.426 -1.522 12.737 1.00 34.41 H new ATOM 0 HG21 THR A 570 -1.573 -0.354 12.178 1.00 1.44 H new ATOM 0 HG22 THR A 570 -1.880 -0.047 10.453 1.00 1.44 H new ATOM 0 HG23 THR A 570 -2.020 -1.698 11.101 1.00 1.44 H new ATOM 1049 N ILE A 571 1.774 -0.217 8.262 1.00 1.33 N ATOM 1050 CA ILE A 571 3.085 0.236 7.890 1.00 11.21 C ATOM 1051 C ILE A 571 3.486 1.272 8.902 1.00 25.24 C ATOM 1052 O ILE A 571 2.769 2.253 9.087 1.00 70.32 O ATOM 1053 CB ILE A 571 3.163 0.879 6.455 1.00 14.45 C ATOM 1054 CG1 ILE A 571 2.884 -0.129 5.328 1.00 34.30 C ATOM 1055 CG2 ILE A 571 4.518 1.518 6.226 1.00 64.14 C ATOM 1056 CD1 ILE A 571 1.464 -0.590 5.228 1.00 44.54 C ATOM 0 H ILE A 571 1.009 0.362 7.915 1.00 1.33 H new ATOM 0 HA ILE A 571 3.746 -0.631 7.867 1.00 11.21 H new ATOM 0 HB ILE A 571 2.380 1.637 6.423 1.00 14.45 H new ATOM 0 HG12 ILE A 571 3.171 0.322 4.378 1.00 34.30 H new ATOM 0 HG13 ILE A 571 3.523 -1.000 5.473 1.00 34.30 H new ATOM 0 HG21 ILE A 571 4.550 1.956 5.228 1.00 64.14 H new ATOM 0 HG22 ILE A 571 4.683 2.297 6.970 1.00 64.14 H new ATOM 0 HG23 ILE A 571 5.297 0.761 6.315 1.00 64.14 H new ATOM 0 HD11 ILE A 571 1.368 -1.298 4.405 1.00 44.54 H new ATOM 0 HD12 ILE A 571 1.173 -1.075 6.159 1.00 44.54 H new ATOM 0 HD13 ILE A 571 0.815 0.267 5.047 1.00 44.54 H new ATOM 1068 N SER A 572 4.569 1.033 9.579 1.00 24.54 N ATOM 1069 CA SER A 572 5.074 1.946 10.552 1.00 53.14 C ATOM 1070 C SER A 572 6.173 2.815 9.940 1.00 75.05 C ATOM 1071 O SER A 572 7.155 2.298 9.403 1.00 23.43 O ATOM 1072 CB SER A 572 5.582 1.145 11.747 1.00 30.22 C ATOM 1073 OG SER A 572 6.370 0.030 11.319 1.00 43.14 O ATOM 0 H SER A 572 5.131 0.189 9.468 1.00 24.54 H new ATOM 0 HA SER A 572 4.286 2.619 10.890 1.00 53.14 H new ATOM 0 HB2 SER A 572 6.178 1.789 12.394 1.00 30.22 H new ATOM 0 HB3 SER A 572 4.737 0.792 12.339 1.00 30.22 H new ATOM 0 HG SER A 572 6.935 0.299 10.565 1.00 43.14 H new ATOM 1079 N VAL A 573 5.987 4.117 9.967 1.00 11.14 N ATOM 1080 CA VAL A 573 6.980 5.046 9.431 1.00 13.21 C ATOM 1081 C VAL A 573 7.252 6.126 10.459 1.00 45.42 C ATOM 1082 O VAL A 573 6.306 6.650 11.076 1.00 33.42 O ATOM 1083 CB VAL A 573 6.504 5.730 8.107 1.00 10.43 C ATOM 1084 CG1 VAL A 573 7.577 6.655 7.532 1.00 1.43 C ATOM 1085 CG2 VAL A 573 6.086 4.705 7.069 1.00 42.32 C ATOM 0 H VAL A 573 5.157 4.565 10.354 1.00 11.14 H new ATOM 0 HA VAL A 573 7.879 4.471 9.209 1.00 13.21 H new ATOM 0 HB VAL A 573 5.634 6.335 8.362 1.00 10.43 H new ATOM 0 HG11 VAL A 573 7.209 7.112 6.613 1.00 1.43 H new ATOM 0 HG12 VAL A 573 7.811 7.435 8.256 1.00 1.43 H new ATOM 0 HG13 VAL A 573 8.477 6.079 7.316 1.00 1.43 H new ATOM 0 HG21 VAL A 573 5.761 5.216 6.163 1.00 42.32 H new ATOM 0 HG22 VAL A 573 6.931 4.057 6.837 1.00 42.32 H new ATOM 0 HG23 VAL A 573 5.265 4.105 7.461 1.00 42.32 H new ATOM 1095 N LYS A 574 8.514 6.428 10.666 1.00 12.31 N ATOM 1096 CA LYS A 574 8.918 7.470 11.575 1.00 64.42 C ATOM 1097 C LYS A 574 9.010 8.804 10.848 1.00 35.20 C ATOM 1098 O LYS A 574 9.770 8.961 9.871 1.00 21.33 O ATOM 1099 CB LYS A 574 10.265 7.118 12.249 1.00 21.12 C ATOM 1100 CG LYS A 574 10.838 8.198 13.176 1.00 13.11 C ATOM 1101 CD LYS A 574 9.897 8.517 14.321 1.00 40.35 C ATOM 1102 CE LYS A 574 10.449 9.594 15.239 1.00 74.20 C ATOM 1103 NZ LYS A 574 11.696 9.178 15.912 1.00 11.41 N ATOM 0 H LYS A 574 9.291 5.954 10.205 1.00 12.31 H new ATOM 0 HA LYS A 574 8.163 7.556 12.356 1.00 64.42 H new ATOM 0 HB2 LYS A 574 10.136 6.201 12.824 1.00 21.12 H new ATOM 0 HB3 LYS A 574 10.997 6.906 11.470 1.00 21.12 H new ATOM 0 HG2 LYS A 574 11.795 7.863 13.575 1.00 13.11 H new ATOM 0 HG3 LYS A 574 11.031 9.104 12.602 1.00 13.11 H new ATOM 0 HD2 LYS A 574 8.937 8.842 13.920 1.00 40.35 H new ATOM 0 HD3 LYS A 574 9.711 7.611 14.898 1.00 40.35 H new ATOM 0 HE2 LYS A 574 10.636 10.499 14.661 1.00 74.20 H new ATOM 0 HE3 LYS A 574 9.701 9.845 15.991 1.00 74.20 H new ATOM 0 HZ1 LYS A 574 11.950 9.879 16.637 1.00 11.41 H new ATOM 0 HZ2 LYS A 574 11.555 8.251 16.361 1.00 11.41 H new ATOM 0 HZ3 LYS A 574 12.462 9.111 15.212 1.00 11.41 H new ATOM 1117 N VAL A 575 8.227 9.744 11.304 1.00 12.42 N ATOM 1118 CA VAL A 575 8.258 11.088 10.780 1.00 3.13 C ATOM 1119 C VAL A 575 9.361 11.838 11.498 1.00 71.42 C ATOM 1120 O VAL A 575 9.411 11.849 12.735 1.00 52.11 O ATOM 1121 CB VAL A 575 6.890 11.814 10.979 1.00 55.24 C ATOM 1122 CG1 VAL A 575 6.947 13.272 10.501 1.00 20.23 C ATOM 1123 CG2 VAL A 575 5.787 11.061 10.241 1.00 32.53 C ATOM 0 H VAL A 575 7.547 9.602 12.051 1.00 12.42 H new ATOM 0 HA VAL A 575 8.447 11.056 9.707 1.00 3.13 H new ATOM 0 HB VAL A 575 6.670 11.824 12.046 1.00 55.24 H new ATOM 0 HG11 VAL A 575 5.977 13.744 10.656 1.00 20.23 H new ATOM 0 HG12 VAL A 575 7.707 13.811 11.067 1.00 20.23 H new ATOM 0 HG13 VAL A 575 7.198 13.298 9.441 1.00 20.23 H new ATOM 0 HG21 VAL A 575 4.836 11.575 10.385 1.00 32.53 H new ATOM 0 HG22 VAL A 575 6.021 11.023 9.177 1.00 32.53 H new ATOM 0 HG23 VAL A 575 5.714 10.046 10.633 1.00 32.53 H new ATOM 1133 N ILE A 576 10.259 12.404 10.751 1.00 3.25 N ATOM 1134 CA ILE A 576 11.354 13.135 11.319 1.00 65.34 C ATOM 1135 C ILE A 576 10.960 14.592 11.311 1.00 74.13 C ATOM 1136 O ILE A 576 10.216 15.018 10.434 1.00 42.44 O ATOM 1137 CB ILE A 576 12.661 12.938 10.494 1.00 54.32 C ATOM 1138 CG1 ILE A 576 12.940 11.449 10.252 1.00 61.45 C ATOM 1139 CG2 ILE A 576 13.856 13.580 11.187 1.00 74.21 C ATOM 1140 CD1 ILE A 576 13.198 10.630 11.475 1.00 30.35 C ATOM 0 H ILE A 576 10.255 12.373 9.731 1.00 3.25 H new ATOM 0 HA ILE A 576 11.556 12.778 12.329 1.00 65.34 H new ATOM 0 HB ILE A 576 12.513 13.430 9.533 1.00 54.32 H new ATOM 0 HG12 ILE A 576 12.089 11.020 9.723 1.00 61.45 H new ATOM 0 HG13 ILE A 576 13.802 11.363 9.591 1.00 61.45 H new ATOM 0 HG21 ILE A 576 14.752 13.425 10.586 1.00 74.21 H new ATOM 0 HG22 ILE A 576 13.678 14.649 11.303 1.00 74.21 H new ATOM 0 HG23 ILE A 576 13.994 13.126 12.168 1.00 74.21 H new ATOM 0 HD11 ILE A 576 13.383 9.595 11.187 1.00 30.35 H new ATOM 0 HD12 ILE A 576 14.070 11.022 11.998 1.00 30.35 H new ATOM 0 HD13 ILE A 576 12.330 10.674 12.133 1.00 30.35 H new ATOM 1152 N ASP A 577 11.418 15.326 12.286 1.00 15.31 N ATOM 1153 CA ASP A 577 11.090 16.743 12.412 1.00 2.33 C ATOM 1154 C ASP A 577 11.661 17.521 11.249 1.00 53.33 C ATOM 1155 O ASP A 577 12.868 17.406 10.952 1.00 53.21 O ATOM 1156 CB ASP A 577 11.643 17.337 13.714 1.00 44.01 C ATOM 1157 CG ASP A 577 11.056 16.740 14.963 1.00 12.52 C ATOM 1158 OD1 ASP A 577 11.610 15.750 15.482 1.00 22.05 O ATOM 1159 OD2 ASP A 577 10.044 17.256 15.471 1.00 32.25 O ATOM 0 H ASP A 577 12.029 14.972 13.022 1.00 15.31 H new ATOM 0 HA ASP A 577 10.003 16.820 12.420 1.00 2.33 H new ATOM 0 HB2 ASP A 577 12.724 17.199 13.732 1.00 44.01 H new ATOM 0 HB3 ASP A 577 11.459 18.411 13.717 1.00 44.01 H new ATOM 1164 N ASP A 578 10.803 18.264 10.556 1.00 12.54 N ATOM 1165 CA ASP A 578 11.239 19.115 9.454 1.00 74.43 C ATOM 1166 C ASP A 578 12.361 20.046 9.791 1.00 13.24 C ATOM 1167 O ASP A 578 12.238 20.955 10.621 1.00 64.54 O ATOM 1168 CB ASP A 578 10.124 19.892 8.764 1.00 42.03 C ATOM 1169 CG ASP A 578 9.550 19.163 7.585 1.00 62.32 C ATOM 1170 OD1 ASP A 578 10.359 18.696 6.682 1.00 2.32 O ATOM 1171 OD2 ASP A 578 8.293 19.044 7.498 1.00 4.10 O ATOM 0 H ASP A 578 9.800 18.294 10.739 1.00 12.54 H new ATOM 0 HA ASP A 578 11.616 18.378 8.745 1.00 74.43 H new ATOM 0 HB2 ASP A 578 9.330 20.094 9.483 1.00 42.03 H new ATOM 0 HB3 ASP A 578 10.509 20.857 8.436 1.00 42.03 H new ATOM 1176 N GLU A 579 13.438 19.786 9.129 1.00 11.50 N ATOM 1177 CA GLU A 579 14.654 20.541 9.168 1.00 43.43 C ATOM 1178 C GLU A 579 14.451 21.847 8.417 1.00 24.41 C ATOM 1179 O GLU A 579 14.938 22.894 8.816 1.00 74.32 O ATOM 1180 CB GLU A 579 15.812 19.743 8.483 1.00 52.23 C ATOM 1181 CG GLU A 579 15.489 18.292 8.012 1.00 72.40 C ATOM 1182 CD GLU A 579 14.515 18.195 6.833 1.00 0.11 C ATOM 1183 OE1 GLU A 579 13.258 18.199 7.055 1.00 31.22 O ATOM 1184 OE2 GLU A 579 14.943 18.131 5.683 1.00 60.31 O ATOM 0 H GLU A 579 13.500 18.985 8.501 1.00 11.50 H new ATOM 0 HA GLU A 579 14.917 20.734 10.208 1.00 43.43 H new ATOM 0 HB2 GLU A 579 16.150 20.313 7.618 1.00 52.23 H new ATOM 0 HB3 GLU A 579 16.649 19.695 9.180 1.00 52.23 H new ATOM 0 HG2 GLU A 579 16.421 17.800 7.735 1.00 72.40 H new ATOM 0 HG3 GLU A 579 15.074 17.737 8.853 1.00 72.40 H new ATOM 1191 N GLU A 580 13.715 21.755 7.336 1.00 24.12 N ATOM 1192 CA GLU A 580 13.471 22.862 6.468 1.00 34.33 C ATOM 1193 C GLU A 580 11.989 23.131 6.242 1.00 42.03 C ATOM 1194 O GLU A 580 11.114 22.511 6.882 1.00 32.14 O ATOM 1195 CB GLU A 580 14.234 22.670 5.132 1.00 2.51 C ATOM 1196 CG GLU A 580 14.378 21.213 4.626 1.00 30.45 C ATOM 1197 CD GLU A 580 13.090 20.463 4.295 1.00 64.05 C ATOM 1198 OE1 GLU A 580 12.403 19.931 5.236 1.00 44.55 O ATOM 1199 OE2 GLU A 580 12.795 20.270 3.111 1.00 34.52 O ATOM 0 H GLU A 580 13.265 20.890 7.037 1.00 24.12 H new ATOM 0 HA GLU A 580 13.854 23.754 6.964 1.00 34.33 H new ATOM 0 HB2 GLU A 580 13.726 23.251 4.362 1.00 2.51 H new ATOM 0 HB3 GLU A 580 15.232 23.093 5.244 1.00 2.51 H new ATOM 0 HG2 GLU A 580 15.002 21.225 3.732 1.00 30.45 H new ATOM 0 HG3 GLU A 580 14.917 20.643 5.383 1.00 30.45 H new ATOM 1206 N TYR A 581 11.743 24.103 5.382 1.00 70.21 N ATOM 1207 CA TYR A 581 10.426 24.521 4.907 1.00 23.54 C ATOM 1208 C TYR A 581 9.658 23.314 4.368 1.00 13.34 C ATOM 1209 O TYR A 581 10.257 22.327 3.918 1.00 42.34 O ATOM 1210 CB TYR A 581 10.607 25.550 3.760 1.00 33.41 C ATOM 1211 CG TYR A 581 11.249 24.947 2.515 1.00 11.44 C ATOM 1212 CD1 TYR A 581 12.626 24.813 2.404 1.00 50.03 C ATOM 1213 CD2 TYR A 581 10.463 24.468 1.475 1.00 73.35 C ATOM 1214 CE1 TYR A 581 13.194 24.222 1.301 1.00 55.10 C ATOM 1215 CE2 TYR A 581 11.024 23.885 0.370 1.00 41.21 C ATOM 1216 CZ TYR A 581 12.392 23.761 0.289 1.00 64.32 C ATOM 1217 OH TYR A 581 12.963 23.146 -0.802 1.00 44.33 O ATOM 0 H TYR A 581 12.495 24.656 4.971 1.00 70.21 H new ATOM 0 HA TYR A 581 9.871 24.965 5.733 1.00 23.54 H new ATOM 0 HB2 TYR A 581 9.635 25.966 3.496 1.00 33.41 H new ATOM 0 HB3 TYR A 581 11.222 26.377 4.115 1.00 33.41 H new ATOM 0 HD1 TYR A 581 13.261 25.179 3.197 1.00 50.03 H new ATOM 0 HD2 TYR A 581 9.389 24.557 1.539 1.00 73.35 H new ATOM 0 HE1 TYR A 581 14.267 24.121 1.232 1.00 55.10 H new ATOM 0 HE2 TYR A 581 10.397 23.525 -0.432 1.00 41.21 H new ATOM 0 HH TYR A 581 12.261 22.876 -1.430 1.00 44.33 H new ATOM 1227 N GLU A 582 8.372 23.365 4.395 1.00 13.10 N ATOM 1228 CA GLU A 582 7.628 22.275 3.873 1.00 32.54 C ATOM 1229 C GLU A 582 6.563 22.729 2.910 1.00 2.20 C ATOM 1230 O GLU A 582 5.636 23.455 3.263 1.00 70.12 O ATOM 1231 CB GLU A 582 7.097 21.351 4.974 1.00 73.42 C ATOM 1232 CG GLU A 582 6.303 20.151 4.463 1.00 1.13 C ATOM 1233 CD GLU A 582 6.099 19.119 5.527 1.00 34.11 C ATOM 1234 OE1 GLU A 582 5.629 19.461 6.631 1.00 43.34 O ATOM 1235 OE2 GLU A 582 6.467 17.986 5.342 1.00 61.45 O ATOM 0 H GLU A 582 7.821 24.138 4.767 1.00 13.10 H new ATOM 0 HA GLU A 582 8.319 21.666 3.290 1.00 32.54 H new ATOM 0 HB2 GLU A 582 7.939 20.989 5.565 1.00 73.42 H new ATOM 0 HB3 GLU A 582 6.463 21.932 5.644 1.00 73.42 H new ATOM 0 HG2 GLU A 582 5.334 20.488 4.094 1.00 1.13 H new ATOM 0 HG3 GLU A 582 6.827 19.703 3.619 1.00 1.13 H new ATOM 1242 N LYS A 583 6.765 22.341 1.679 1.00 71.34 N ATOM 1243 CA LYS A 583 5.821 22.533 0.606 1.00 23.55 C ATOM 1244 C LYS A 583 4.925 21.316 0.607 1.00 51.45 C ATOM 1245 O LYS A 583 4.805 20.632 1.640 1.00 64.44 O ATOM 1246 CB LYS A 583 6.593 22.590 -0.732 1.00 20.53 C ATOM 1247 CG LYS A 583 7.513 23.785 -0.893 1.00 1.23 C ATOM 1248 CD LYS A 583 6.726 25.075 -0.982 1.00 64.11 C ATOM 1249 CE LYS A 583 7.635 26.271 -1.162 1.00 32.22 C ATOM 1250 NZ LYS A 583 6.871 27.526 -1.275 1.00 13.35 N ATOM 0 H LYS A 583 7.619 21.867 1.384 1.00 71.34 H new ATOM 0 HA LYS A 583 5.249 23.452 0.729 1.00 23.55 H new ATOM 0 HB2 LYS A 583 7.184 21.680 -0.832 1.00 20.53 H new ATOM 0 HB3 LYS A 583 5.872 22.593 -1.550 1.00 20.53 H new ATOM 0 HG2 LYS A 583 8.201 23.834 -0.049 1.00 1.23 H new ATOM 0 HG3 LYS A 583 8.118 23.663 -1.791 1.00 1.23 H new ATOM 0 HD2 LYS A 583 6.028 25.019 -1.817 1.00 64.11 H new ATOM 0 HD3 LYS A 583 6.131 25.202 -0.077 1.00 64.11 H new ATOM 0 HE2 LYS A 583 8.320 26.337 -0.317 1.00 32.22 H new ATOM 0 HE3 LYS A 583 8.244 26.134 -2.056 1.00 32.22 H new ATOM 0 HZ1 LYS A 583 7.528 28.323 -1.397 1.00 13.35 H new ATOM 0 HZ2 LYS A 583 6.235 27.473 -2.096 1.00 13.35 H new ATOM 0 HZ3 LYS A 583 6.310 27.670 -0.411 1.00 13.35 H new ATOM 1264 N ASN A 584 4.295 21.027 -0.499 1.00 23.22 N ATOM 1265 CA ASN A 584 3.569 19.784 -0.631 1.00 60.42 C ATOM 1266 C ASN A 584 4.595 18.676 -0.823 1.00 41.03 C ATOM 1267 O ASN A 584 4.902 18.263 -1.937 1.00 54.24 O ATOM 1268 CB ASN A 584 2.578 19.815 -1.805 1.00 61.23 C ATOM 1269 CG ASN A 584 1.655 18.598 -1.853 1.00 30.00 C ATOM 1270 OD1 ASN A 584 1.978 17.564 -2.441 1.00 51.32 O ATOM 1271 ND2 ASN A 584 0.491 18.731 -1.281 1.00 65.41 N ATOM 0 H ASN A 584 4.267 21.630 -1.321 1.00 23.22 H new ATOM 0 HA ASN A 584 2.973 19.613 0.265 1.00 60.42 H new ATOM 0 HB2 ASN A 584 1.972 20.719 -1.736 1.00 61.23 H new ATOM 0 HB3 ASN A 584 3.135 19.876 -2.740 1.00 61.23 H new ATOM 0 HD21 ASN A 584 -0.183 17.966 -1.312 1.00 65.41 H new ATOM 0 HD22 ASN A 584 0.254 19.600 -0.802 1.00 65.41 H new ATOM 1278 N LYS A 585 5.214 18.310 0.257 1.00 34.34 N ATOM 1279 CA LYS A 585 6.202 17.315 0.266 1.00 62.02 C ATOM 1280 C LYS A 585 5.603 16.091 0.842 1.00 63.13 C ATOM 1281 O LYS A 585 4.957 16.131 1.895 1.00 65.05 O ATOM 1282 CB LYS A 585 7.486 17.806 0.987 1.00 73.31 C ATOM 1283 CG LYS A 585 8.540 16.738 1.269 1.00 52.22 C ATOM 1284 CD LYS A 585 8.409 16.176 2.674 1.00 40.21 C ATOM 1285 CE LYS A 585 8.838 17.203 3.717 1.00 13.05 C ATOM 1286 NZ LYS A 585 8.744 16.671 5.094 1.00 22.41 N ATOM 0 H LYS A 585 5.029 18.716 1.174 1.00 34.34 H new ATOM 0 HA LYS A 585 6.538 17.078 -0.743 1.00 62.02 H new ATOM 0 HB2 LYS A 585 7.943 18.589 0.382 1.00 73.31 H new ATOM 0 HB3 LYS A 585 7.196 18.262 1.933 1.00 73.31 H new ATOM 0 HG2 LYS A 585 8.443 15.930 0.544 1.00 52.22 H new ATOM 0 HG3 LYS A 585 9.534 17.165 1.139 1.00 52.22 H new ATOM 0 HD2 LYS A 585 7.376 15.878 2.855 1.00 40.21 H new ATOM 0 HD3 LYS A 585 9.021 15.279 2.769 1.00 40.21 H new ATOM 0 HE2 LYS A 585 9.864 17.514 3.518 1.00 13.05 H new ATOM 0 HE3 LYS A 585 8.213 18.091 3.629 1.00 13.05 H new ATOM 0 HZ1 LYS A 585 9.230 17.316 5.749 1.00 22.41 H new ATOM 0 HZ2 LYS A 585 7.744 16.589 5.367 1.00 22.41 H new ATOM 0 HZ3 LYS A 585 9.192 15.733 5.135 1.00 22.41 H new ATOM 1300 N THR A 586 5.763 15.032 0.140 1.00 35.31 N ATOM 1301 CA THR A 586 5.139 13.830 0.468 1.00 13.12 C ATOM 1302 C THR A 586 5.964 12.666 -0.025 1.00 11.43 C ATOM 1303 O THR A 586 6.785 12.816 -0.952 1.00 61.34 O ATOM 1304 CB THR A 586 3.692 13.820 -0.132 1.00 54.10 C ATOM 1305 OG1 THR A 586 3.069 12.557 0.013 1.00 13.30 O ATOM 1306 CG2 THR A 586 3.657 14.253 -1.587 1.00 75.42 C ATOM 0 H THR A 586 6.347 14.987 -0.695 1.00 35.31 H new ATOM 0 HA THR A 586 5.058 13.733 1.551 1.00 13.12 H new ATOM 0 HB THR A 586 3.129 14.554 0.445 1.00 54.10 H new ATOM 0 HG1 THR A 586 3.347 12.150 0.860 1.00 13.30 H new ATOM 0 HG21 THR A 586 2.629 14.227 -1.950 1.00 75.42 H new ATOM 0 HG22 THR A 586 4.047 15.267 -1.674 1.00 75.42 H new ATOM 0 HG23 THR A 586 4.269 13.576 -2.183 1.00 75.42 H new ATOM 1314 N PHE A 587 5.801 11.565 0.648 1.00 45.22 N ATOM 1315 CA PHE A 587 6.404 10.325 0.301 1.00 40.02 C ATOM 1316 C PHE A 587 5.315 9.314 0.046 1.00 75.13 C ATOM 1317 O PHE A 587 4.229 9.397 0.641 1.00 72.31 O ATOM 1318 CB PHE A 587 7.432 9.850 1.354 1.00 61.44 C ATOM 1319 CG PHE A 587 7.183 10.290 2.775 1.00 51.24 C ATOM 1320 CD1 PHE A 587 6.265 9.653 3.594 1.00 44.35 C ATOM 1321 CD2 PHE A 587 7.903 11.344 3.292 1.00 42.45 C ATOM 1322 CE1 PHE A 587 6.086 10.074 4.906 1.00 43.03 C ATOM 1323 CE2 PHE A 587 7.723 11.762 4.585 1.00 33.43 C ATOM 1324 CZ PHE A 587 6.816 11.124 5.394 1.00 72.13 C ATOM 0 H PHE A 587 5.221 11.511 1.485 1.00 45.22 H new ATOM 0 HA PHE A 587 6.986 10.453 -0.612 1.00 40.02 H new ATOM 0 HB2 PHE A 587 7.465 8.761 1.334 1.00 61.44 H new ATOM 0 HB3 PHE A 587 8.418 10.204 1.054 1.00 61.44 H new ATOM 0 HD1 PHE A 587 5.686 8.826 3.211 1.00 44.35 H new ATOM 0 HD2 PHE A 587 8.623 11.851 2.667 1.00 42.45 H new ATOM 0 HE1 PHE A 587 5.371 9.573 5.541 1.00 43.03 H new ATOM 0 HE2 PHE A 587 8.295 12.594 4.968 1.00 33.43 H new ATOM 0 HZ PHE A 587 6.679 11.450 6.414 1.00 72.13 H new ATOM 1334 N PHE A 588 5.577 8.394 -0.834 1.00 63.12 N ATOM 1335 CA PHE A 588 4.569 7.468 -1.274 1.00 72.42 C ATOM 1336 C PHE A 588 4.839 6.109 -0.693 1.00 24.54 C ATOM 1337 O PHE A 588 5.971 5.652 -0.696 1.00 34.11 O ATOM 1338 CB PHE A 588 4.575 7.360 -2.810 1.00 22.41 C ATOM 1339 CG PHE A 588 4.696 8.681 -3.534 1.00 24.43 C ATOM 1340 CD1 PHE A 588 3.774 9.695 -3.342 1.00 43.43 C ATOM 1341 CD2 PHE A 588 5.754 8.905 -4.394 1.00 42.21 C ATOM 1342 CE1 PHE A 588 3.902 10.904 -4.001 1.00 23.13 C ATOM 1343 CE2 PHE A 588 5.890 10.109 -5.055 1.00 72.32 C ATOM 1344 CZ PHE A 588 4.962 11.110 -4.857 1.00 63.45 C ATOM 0 H PHE A 588 6.491 8.262 -1.267 1.00 63.12 H new ATOM 0 HA PHE A 588 3.597 7.831 -0.939 1.00 72.42 H new ATOM 0 HB2 PHE A 588 5.402 6.718 -3.113 1.00 22.41 H new ATOM 0 HB3 PHE A 588 3.656 6.868 -3.130 1.00 22.41 H new ATOM 0 HD1 PHE A 588 2.944 9.540 -2.669 1.00 43.43 H new ATOM 0 HD2 PHE A 588 6.486 8.126 -4.551 1.00 42.21 H new ATOM 0 HE1 PHE A 588 3.173 11.685 -3.845 1.00 23.13 H new ATOM 0 HE2 PHE A 588 6.721 10.267 -5.726 1.00 72.32 H new ATOM 0 HZ PHE A 588 5.066 12.054 -5.372 1.00 63.45 H new ATOM 1354 N LEU A 589 3.842 5.482 -0.161 1.00 42.41 N ATOM 1355 CA LEU A 589 4.001 4.128 0.288 1.00 54.40 C ATOM 1356 C LEU A 589 3.349 3.258 -0.766 1.00 24.01 C ATOM 1357 O LEU A 589 2.220 3.541 -1.208 1.00 24.04 O ATOM 1358 CB LEU A 589 3.330 3.903 1.661 1.00 50.13 C ATOM 1359 CG LEU A 589 3.896 2.776 2.572 1.00 41.44 C ATOM 1360 CD1 LEU A 589 3.886 1.415 1.911 1.00 64.43 C ATOM 1361 CD2 LEU A 589 5.282 3.118 3.035 1.00 10.42 C ATOM 0 H LEU A 589 2.912 5.878 -0.025 1.00 42.41 H new ATOM 0 HA LEU A 589 5.056 3.887 0.418 1.00 54.40 H new ATOM 0 HB2 LEU A 589 3.382 4.840 2.216 1.00 50.13 H new ATOM 0 HB3 LEU A 589 2.274 3.694 1.487 1.00 50.13 H new ATOM 0 HG LEU A 589 3.230 2.712 3.432 1.00 41.44 H new ATOM 0 HD11 LEU A 589 4.293 0.674 2.599 1.00 64.43 H new ATOM 0 HD12 LEU A 589 2.863 1.145 1.650 1.00 64.43 H new ATOM 0 HD13 LEU A 589 4.495 1.445 1.007 1.00 64.43 H new ATOM 0 HD21 LEU A 589 5.661 2.318 3.671 1.00 10.42 H new ATOM 0 HD22 LEU A 589 5.936 3.235 2.171 1.00 10.42 H new ATOM 0 HD23 LEU A 589 5.257 4.050 3.600 1.00 10.42 H new ATOM 1373 N GLU A 590 4.053 2.263 -1.199 1.00 54.22 N ATOM 1374 CA GLU A 590 3.552 1.341 -2.168 1.00 32.43 C ATOM 1375 C GLU A 590 4.005 -0.048 -1.742 1.00 44.53 C ATOM 1376 O GLU A 590 5.038 -0.184 -1.063 1.00 4.21 O ATOM 1377 CB GLU A 590 4.110 1.694 -3.547 1.00 21.54 C ATOM 1378 CG GLU A 590 3.459 0.954 -4.695 1.00 30.12 C ATOM 1379 CD GLU A 590 4.075 1.306 -6.014 1.00 12.10 C ATOM 1380 OE1 GLU A 590 3.819 2.409 -6.530 1.00 71.50 O ATOM 1381 OE2 GLU A 590 4.814 0.472 -6.574 1.00 64.42 O ATOM 0 H GLU A 590 5.003 2.065 -0.887 1.00 54.22 H new ATOM 0 HA GLU A 590 2.464 1.380 -2.229 1.00 32.43 H new ATOM 0 HB2 GLU A 590 3.993 2.766 -3.709 1.00 21.54 H new ATOM 0 HB3 GLU A 590 5.180 1.485 -3.557 1.00 21.54 H new ATOM 0 HG2 GLU A 590 3.547 -0.120 -4.530 1.00 30.12 H new ATOM 0 HG3 GLU A 590 2.394 1.187 -4.719 1.00 30.12 H new ATOM 1388 N ILE A 591 3.238 -1.051 -2.091 1.00 43.23 N ATOM 1389 CA ILE A 591 3.552 -2.423 -1.744 1.00 54.11 C ATOM 1390 C ILE A 591 4.016 -3.181 -2.974 1.00 14.43 C ATOM 1391 O ILE A 591 3.649 -2.829 -4.107 1.00 11.33 O ATOM 1392 CB ILE A 591 2.349 -3.152 -1.086 1.00 23.34 C ATOM 1393 CG1 ILE A 591 1.080 -3.044 -1.956 1.00 73.12 C ATOM 1394 CG2 ILE A 591 2.105 -2.617 0.324 1.00 25.53 C ATOM 1395 CD1 ILE A 591 -0.119 -3.778 -1.393 1.00 22.44 C ATOM 0 H ILE A 591 2.376 -0.943 -2.625 1.00 43.23 H new ATOM 0 HA ILE A 591 4.357 -2.397 -1.009 1.00 54.11 H new ATOM 0 HB ILE A 591 2.596 -4.211 -1.009 1.00 23.34 H new ATOM 0 HG12 ILE A 591 0.824 -1.991 -2.078 1.00 73.12 H new ATOM 0 HG13 ILE A 591 1.299 -3.436 -2.949 1.00 73.12 H new ATOM 0 HG21 ILE A 591 1.258 -3.139 0.770 1.00 25.53 H new ATOM 0 HG22 ILE A 591 2.994 -2.780 0.934 1.00 25.53 H new ATOM 0 HG23 ILE A 591 1.888 -1.550 0.276 1.00 25.53 H new ATOM 0 HD11 ILE A 591 -0.970 -3.653 -2.063 1.00 22.44 H new ATOM 0 HD12 ILE A 591 0.115 -4.838 -1.298 1.00 22.44 H new ATOM 0 HD13 ILE A 591 -0.367 -3.372 -0.412 1.00 22.44 H new ATOM 1407 N GLY A 592 4.832 -4.177 -2.757 1.00 10.34 N ATOM 1408 CA GLY A 592 5.360 -4.968 -3.832 1.00 62.14 C ATOM 1409 C GLY A 592 4.550 -6.217 -4.052 1.00 64.34 C ATOM 1410 O GLY A 592 3.425 -6.319 -3.555 1.00 62.30 O ATOM 0 H GLY A 592 5.148 -4.462 -1.830 1.00 10.34 H new ATOM 0 HA2 GLY A 592 5.373 -4.376 -4.747 1.00 62.14 H new ATOM 0 HA3 GLY A 592 6.393 -5.238 -3.612 1.00 62.14 H new ATOM 1414 N GLU A 593 5.116 -7.164 -4.787 1.00 50.03 N ATOM 1415 CA GLU A 593 4.433 -8.405 -5.129 1.00 20.32 C ATOM 1416 C GLU A 593 4.251 -9.265 -3.879 1.00 34.45 C ATOM 1417 O GLU A 593 5.248 -9.714 -3.277 1.00 13.25 O ATOM 1418 CB GLU A 593 5.235 -9.197 -6.185 1.00 33.12 C ATOM 1419 CG GLU A 593 4.542 -10.476 -6.649 1.00 15.30 C ATOM 1420 CD GLU A 593 5.493 -11.497 -7.260 1.00 64.33 C ATOM 1421 OE1 GLU A 593 6.240 -12.135 -6.490 1.00 71.41 O ATOM 1422 OE2 GLU A 593 5.463 -11.740 -8.476 1.00 60.02 O ATOM 0 H GLU A 593 6.061 -7.094 -5.163 1.00 50.03 H new ATOM 0 HA GLU A 593 3.457 -8.153 -5.544 1.00 20.32 H new ATOM 0 HB2 GLU A 593 5.413 -8.557 -7.049 1.00 33.12 H new ATOM 0 HB3 GLU A 593 6.211 -9.452 -5.771 1.00 33.12 H new ATOM 0 HG2 GLU A 593 4.030 -10.930 -5.801 1.00 15.30 H new ATOM 0 HG3 GLU A 593 3.777 -10.220 -7.382 1.00 15.30 H new ATOM 1429 N PRO A 594 3.003 -9.498 -3.448 1.00 22.31 N ATOM 1430 CA PRO A 594 2.738 -10.336 -2.309 1.00 4.32 C ATOM 1431 C PRO A 594 3.060 -11.787 -2.650 1.00 20.11 C ATOM 1432 O PRO A 594 2.704 -12.300 -3.722 1.00 65.44 O ATOM 1433 CB PRO A 594 1.253 -10.129 -2.025 1.00 10.44 C ATOM 1434 CG PRO A 594 0.672 -9.681 -3.306 1.00 73.52 C ATOM 1435 CD PRO A 594 1.763 -8.974 -4.055 1.00 73.40 C ATOM 0 HA PRO A 594 3.345 -10.091 -1.438 1.00 4.32 H new ATOM 0 HB2 PRO A 594 0.785 -11.052 -1.682 1.00 10.44 H new ATOM 0 HB3 PRO A 594 1.102 -9.385 -1.243 1.00 10.44 H new ATOM 0 HG2 PRO A 594 0.298 -10.530 -3.878 1.00 73.52 H new ATOM 0 HG3 PRO A 594 -0.173 -9.015 -3.135 1.00 73.52 H new ATOM 0 HD2 PRO A 594 1.719 -9.188 -5.123 1.00 73.40 H new ATOM 0 HD3 PRO A 594 1.689 -7.892 -3.943 1.00 73.40 H new ATOM 1443 N ARG A 595 3.738 -12.435 -1.776 1.00 32.42 N ATOM 1444 CA ARG A 595 4.221 -13.743 -2.054 1.00 44.31 C ATOM 1445 C ARG A 595 3.735 -14.735 -1.049 1.00 4.24 C ATOM 1446 O ARG A 595 3.838 -14.521 0.164 1.00 0.41 O ATOM 1447 CB ARG A 595 5.747 -13.714 -2.210 1.00 51.42 C ATOM 1448 CG ARG A 595 6.491 -13.107 -1.038 1.00 43.14 C ATOM 1449 CD ARG A 595 7.786 -12.469 -1.500 1.00 40.24 C ATOM 1450 NE ARG A 595 7.526 -11.330 -2.415 1.00 33.15 N ATOM 1451 CZ ARG A 595 8.452 -10.512 -2.938 1.00 32.31 C ATOM 1452 NH1 ARG A 595 9.740 -10.705 -2.698 1.00 62.51 N ATOM 1453 NH2 ARG A 595 8.070 -9.510 -3.712 1.00 43.20 N ATOM 0 H ARG A 595 3.975 -12.079 -0.850 1.00 32.42 H new ATOM 0 HA ARG A 595 3.812 -14.084 -3.005 1.00 44.31 H new ATOM 0 HB2 ARG A 595 6.103 -14.733 -2.360 1.00 51.42 H new ATOM 0 HB3 ARG A 595 5.996 -13.153 -3.111 1.00 51.42 H new ATOM 0 HG2 ARG A 595 5.865 -12.360 -0.551 1.00 43.14 H new ATOM 0 HG3 ARG A 595 6.703 -13.877 -0.297 1.00 43.14 H new ATOM 0 HD2 ARG A 595 8.353 -12.123 -0.636 1.00 40.24 H new ATOM 0 HD3 ARG A 595 8.401 -13.213 -2.007 1.00 40.24 H new ATOM 0 HE ARG A 595 6.554 -11.153 -2.670 1.00 33.15 H new ATOM 0 HH11 ARG A 595 10.038 -11.483 -2.109 1.00 62.51 H new ATOM 0 HH12 ARG A 595 10.434 -10.076 -3.102 1.00 62.51 H new ATOM 0 HH21 ARG A 595 7.079 -9.365 -3.906 1.00 43.20 H new ATOM 0 HH22 ARG A 595 8.766 -8.882 -4.114 1.00 43.20 H new ATOM 1467 N LEU A 596 3.149 -15.784 -1.561 1.00 0.11 N ATOM 1468 CA LEU A 596 2.616 -16.833 -0.751 1.00 43.42 C ATOM 1469 C LEU A 596 3.800 -17.645 -0.247 1.00 4.23 C ATOM 1470 O LEU A 596 4.635 -18.092 -1.042 1.00 31.32 O ATOM 1471 CB LEU A 596 1.701 -17.731 -1.599 1.00 41.25 C ATOM 1472 CG LEU A 596 0.407 -18.256 -0.943 1.00 34.23 C ATOM 1473 CD1 LEU A 596 0.611 -18.624 0.511 1.00 72.42 C ATOM 1474 CD2 LEU A 596 -0.734 -17.268 -1.112 1.00 4.54 C ATOM 0 H LEU A 596 3.030 -15.931 -2.563 1.00 0.11 H new ATOM 0 HA LEU A 596 2.032 -16.430 0.076 1.00 43.42 H new ATOM 0 HB2 LEU A 596 1.422 -17.176 -2.495 1.00 41.25 H new ATOM 0 HB3 LEU A 596 2.285 -18.591 -1.926 1.00 41.25 H new ATOM 0 HG LEU A 596 0.134 -19.174 -1.464 1.00 34.23 H new ATOM 0 HD11 LEU A 596 -0.327 -18.988 0.929 1.00 72.42 H new ATOM 0 HD12 LEU A 596 1.369 -19.404 0.586 1.00 72.42 H new ATOM 0 HD13 LEU A 596 0.939 -17.745 1.066 1.00 72.42 H new ATOM 0 HD21 LEU A 596 -1.632 -17.665 -0.640 1.00 4.54 H new ATOM 0 HD22 LEU A 596 -0.467 -16.320 -0.644 1.00 4.54 H new ATOM 0 HD23 LEU A 596 -0.923 -17.108 -2.174 1.00 4.54 H new ATOM 1486 N VAL A 597 3.887 -17.811 1.036 1.00 22.02 N ATOM 1487 CA VAL A 597 5.014 -18.508 1.630 1.00 50.31 C ATOM 1488 C VAL A 597 4.967 -20.021 1.373 1.00 75.25 C ATOM 1489 O VAL A 597 6.010 -20.675 1.260 1.00 63.30 O ATOM 1490 CB VAL A 597 5.170 -18.171 3.146 1.00 5.05 C ATOM 1491 CG1 VAL A 597 6.327 -18.935 3.790 1.00 45.34 C ATOM 1492 CG2 VAL A 597 5.391 -16.678 3.311 1.00 13.05 C ATOM 0 H VAL A 597 3.194 -17.476 1.705 1.00 22.02 H new ATOM 0 HA VAL A 597 5.910 -18.141 1.129 1.00 50.31 H new ATOM 0 HB VAL A 597 4.253 -18.477 3.650 1.00 5.05 H new ATOM 0 HG11 VAL A 597 6.397 -18.668 4.845 1.00 45.34 H new ATOM 0 HG12 VAL A 597 6.151 -20.007 3.698 1.00 45.34 H new ATOM 0 HG13 VAL A 597 7.259 -18.675 3.288 1.00 45.34 H new ATOM 0 HG21 VAL A 597 5.500 -16.441 4.369 1.00 13.05 H new ATOM 0 HG22 VAL A 597 6.295 -16.383 2.778 1.00 13.05 H new ATOM 0 HG23 VAL A 597 4.537 -16.137 2.904 1.00 13.05 H new ATOM 2055 N ARG A 633 -0.673 -16.101 -7.774 1.00 70.11 N ATOM 2056 CA ARG A 633 -0.220 -15.264 -6.674 1.00 54.03 C ATOM 2057 C ARG A 633 -1.364 -14.489 -6.052 1.00 45.51 C ATOM 2058 O ARG A 633 -2.454 -14.358 -6.641 1.00 13.11 O ATOM 2059 CB ARG A 633 0.771 -14.203 -7.209 1.00 3.24 C ATOM 2060 CG ARG A 633 2.257 -14.549 -7.266 1.00 2.34 C ATOM 2061 CD ARG A 633 2.569 -15.902 -7.866 1.00 3.12 C ATOM 2062 NE ARG A 633 2.654 -16.941 -6.804 1.00 0.54 N ATOM 2063 CZ ARG A 633 3.819 -17.401 -6.288 1.00 4.01 C ATOM 2064 NH1 ARG A 633 4.987 -17.136 -6.898 1.00 63.15 N ATOM 2065 NH2 ARG A 633 3.806 -18.162 -5.192 1.00 64.13 N ATOM 0 HA ARG A 633 0.234 -15.927 -5.937 1.00 54.03 H new ATOM 0 HB2 ARG A 633 0.455 -13.935 -8.217 1.00 3.24 H new ATOM 0 HB3 ARG A 633 0.663 -13.310 -6.593 1.00 3.24 H new ATOM 0 HG2 ARG A 633 2.772 -13.783 -7.845 1.00 2.34 H new ATOM 0 HG3 ARG A 633 2.664 -14.513 -6.255 1.00 2.34 H new ATOM 0 HD2 ARG A 633 1.797 -16.173 -8.586 1.00 3.12 H new ATOM 0 HD3 ARG A 633 3.511 -15.855 -8.412 1.00 3.12 H new ATOM 0 HE ARG A 633 1.783 -17.330 -6.443 1.00 0.54 H new ATOM 0 HH11 ARG A 633 5.001 -16.585 -7.756 1.00 63.15 H new ATOM 0 HH12 ARG A 633 5.860 -17.486 -6.503 1.00 63.15 H new ATOM 0 HH21 ARG A 633 2.920 -18.396 -4.744 1.00 64.13 H new ATOM 0 HH22 ARG A 633 4.682 -18.509 -4.802 1.00 64.13 H new ATOM 2079 N PRO A 634 -1.166 -14.023 -4.820 1.00 45.04 N ATOM 2080 CA PRO A 634 -1.988 -12.981 -4.282 1.00 73.22 C ATOM 2081 C PRO A 634 -1.612 -11.721 -5.045 1.00 21.21 C ATOM 2082 O PRO A 634 -0.449 -11.552 -5.404 1.00 33.43 O ATOM 2083 CB PRO A 634 -1.576 -12.867 -2.811 1.00 72.04 C ATOM 2084 CG PRO A 634 -0.344 -13.698 -2.638 1.00 13.24 C ATOM 2085 CD PRO A 634 -0.152 -14.517 -3.873 1.00 1.42 C ATOM 0 HA PRO A 634 -3.061 -13.154 -4.363 1.00 73.22 H new ATOM 0 HB2 PRO A 634 -1.382 -11.828 -2.544 1.00 72.04 H new ATOM 0 HB3 PRO A 634 -2.374 -13.220 -2.158 1.00 72.04 H new ATOM 0 HG2 PRO A 634 0.523 -13.060 -2.467 1.00 13.24 H new ATOM 0 HG3 PRO A 634 -0.441 -14.344 -1.766 1.00 13.24 H new ATOM 0 HD2 PRO A 634 0.854 -14.396 -4.274 1.00 1.42 H new ATOM 0 HD3 PRO A 634 -0.288 -15.579 -3.667 1.00 1.42 H new ATOM 2093 N ILE A 635 -2.537 -10.875 -5.336 1.00 51.30 N ATOM 2094 CA ILE A 635 -2.211 -9.736 -6.170 1.00 73.03 C ATOM 2095 C ILE A 635 -2.644 -8.387 -5.632 1.00 20.01 C ATOM 2096 O ILE A 635 -3.198 -8.267 -4.524 1.00 10.24 O ATOM 2097 CB ILE A 635 -2.647 -9.916 -7.662 1.00 41.31 C ATOM 2098 CG1 ILE A 635 -4.063 -10.516 -7.809 1.00 32.10 C ATOM 2099 CG2 ILE A 635 -1.625 -10.729 -8.444 1.00 61.11 C ATOM 2100 CD1 ILE A 635 -5.192 -9.651 -7.290 1.00 10.21 C ATOM 0 H ILE A 635 -3.507 -10.932 -5.026 1.00 51.30 H new ATOM 0 HA ILE A 635 -1.122 -9.721 -6.138 1.00 73.03 H new ATOM 0 HB ILE A 635 -2.689 -8.914 -8.090 1.00 41.31 H new ATOM 0 HG12 ILE A 635 -4.243 -10.725 -8.864 1.00 32.10 H new ATOM 0 HG13 ILE A 635 -4.090 -11.472 -7.286 1.00 32.10 H new ATOM 0 HG21 ILE A 635 -1.958 -10.836 -9.476 1.00 61.11 H new ATOM 0 HG22 ILE A 635 -0.662 -10.219 -8.424 1.00 61.11 H new ATOM 0 HG23 ILE A 635 -1.522 -11.716 -7.992 1.00 61.11 H new ATOM 0 HD11 ILE A 635 -6.142 -10.164 -7.441 1.00 10.21 H new ATOM 0 HD12 ILE A 635 -5.046 -9.462 -6.226 1.00 10.21 H new ATOM 0 HD13 ILE A 635 -5.202 -8.703 -7.829 1.00 10.21 H new ATOM 2112 N LEU A 636 -2.361 -7.382 -6.436 1.00 43.50 N ATOM 2113 CA LEU A 636 -2.636 -6.008 -6.148 1.00 0.15 C ATOM 2114 C LEU A 636 -4.127 -5.756 -6.208 1.00 13.54 C ATOM 2115 O LEU A 636 -4.841 -6.397 -6.989 1.00 54.11 O ATOM 2116 CB LEU A 636 -2.010 -5.151 -7.224 1.00 42.14 C ATOM 2117 CG LEU A 636 -1.752 -3.717 -6.840 1.00 33.35 C ATOM 2118 CD1 LEU A 636 -0.349 -3.554 -6.276 1.00 71.04 C ATOM 2119 CD2 LEU A 636 -2.024 -2.790 -7.993 1.00 14.15 C ATOM 0 H LEU A 636 -1.915 -7.517 -7.343 1.00 43.50 H new ATOM 0 HA LEU A 636 -2.243 -5.773 -5.159 1.00 0.15 H new ATOM 0 HB2 LEU A 636 -1.065 -5.605 -7.522 1.00 42.14 H new ATOM 0 HB3 LEU A 636 -2.660 -5.164 -8.099 1.00 42.14 H new ATOM 0 HG LEU A 636 -2.447 -3.439 -6.048 1.00 33.35 H new ATOM 0 HD11 LEU A 636 -0.185 -2.511 -6.006 1.00 71.04 H new ATOM 0 HD12 LEU A 636 -0.238 -4.180 -5.391 1.00 71.04 H new ATOM 0 HD13 LEU A 636 0.382 -3.854 -7.027 1.00 71.04 H new ATOM 0 HD21 LEU A 636 -1.829 -1.762 -7.687 1.00 14.15 H new ATOM 0 HD22 LEU A 636 -1.374 -3.049 -8.829 1.00 14.15 H new ATOM 0 HD23 LEU A 636 -3.066 -2.886 -8.299 1.00 14.15 H new ATOM 2131 N GLY A 637 -4.589 -4.842 -5.407 1.00 2.41 N ATOM 2132 CA GLY A 637 -5.957 -4.455 -5.461 1.00 35.41 C ATOM 2133 C GLY A 637 -6.179 -3.327 -6.436 1.00 52.12 C ATOM 2134 O GLY A 637 -5.658 -3.343 -7.552 1.00 42.50 O ATOM 0 H GLY A 637 -4.031 -4.352 -4.707 1.00 2.41 H new ATOM 0 HA2 GLY A 637 -6.566 -5.311 -5.750 1.00 35.41 H new ATOM 0 HA3 GLY A 637 -6.288 -4.149 -4.469 1.00 35.41 H new ATOM 2138 N GLU A 638 -6.902 -2.338 -6.017 1.00 1.34 N ATOM 2139 CA GLU A 638 -7.264 -1.257 -6.894 1.00 12.42 C ATOM 2140 C GLU A 638 -6.350 -0.067 -6.715 1.00 21.14 C ATOM 2141 O GLU A 638 -5.767 0.425 -7.679 1.00 63.51 O ATOM 2142 CB GLU A 638 -8.698 -0.862 -6.652 1.00 75.23 C ATOM 2143 CG GLU A 638 -9.254 0.134 -7.636 1.00 71.32 C ATOM 2144 CD GLU A 638 -10.707 0.373 -7.397 1.00 45.43 C ATOM 2145 OE1 GLU A 638 -11.510 -0.543 -7.645 1.00 71.43 O ATOM 2146 OE2 GLU A 638 -11.082 1.481 -6.961 1.00 25.23 O ATOM 0 H GLU A 638 -7.259 -2.251 -5.065 1.00 1.34 H new ATOM 0 HA GLU A 638 -7.154 -1.602 -7.922 1.00 12.42 H new ATOM 0 HB2 GLU A 638 -9.316 -1.759 -6.676 1.00 75.23 H new ATOM 0 HB3 GLU A 638 -8.781 -0.445 -5.648 1.00 75.23 H new ATOM 0 HG2 GLU A 638 -8.709 1.074 -7.553 1.00 71.32 H new ATOM 0 HG3 GLU A 638 -9.105 -0.232 -8.652 1.00 71.32 H new ATOM 2153 N HIS A 639 -6.220 0.407 -5.509 1.00 52.41 N ATOM 2154 CA HIS A 639 -5.391 1.560 -5.279 1.00 5.41 C ATOM 2155 C HIS A 639 -4.323 1.317 -4.247 1.00 63.31 C ATOM 2156 O HIS A 639 -4.547 1.398 -3.031 1.00 0.34 O ATOM 2157 CB HIS A 639 -6.193 2.870 -5.028 1.00 60.40 C ATOM 2158 CG HIS A 639 -7.198 2.846 -3.901 1.00 51.12 C ATOM 2159 ND1 HIS A 639 -6.945 3.317 -2.633 1.00 20.44 N ATOM 2160 CD2 HIS A 639 -8.494 2.453 -3.897 1.00 34.53 C ATOM 2161 CE1 HIS A 639 -8.059 3.206 -1.918 1.00 74.43 C ATOM 2162 NE2 HIS A 639 -9.038 2.686 -2.638 1.00 64.00 N ATOM 0 H HIS A 639 -6.670 0.021 -4.679 1.00 52.41 H new ATOM 0 HA HIS A 639 -4.868 1.726 -6.221 1.00 5.41 H new ATOM 0 HB2 HIS A 639 -5.481 3.672 -4.832 1.00 60.40 H new ATOM 0 HB3 HIS A 639 -6.719 3.128 -5.947 1.00 60.40 H new ATOM 0 HD2 HIS A 639 -9.021 2.027 -4.738 1.00 34.53 H new ATOM 0 HE1 HIS A 639 -8.153 3.502 -0.884 1.00 74.43 H new ATOM 0 HE2 HIS A 639 -9.993 2.495 -2.334 1.00 64.00 H new ATOM 2170 N THR A 640 -3.185 0.949 -4.730 1.00 54.31 N ATOM 2171 CA THR A 640 -2.051 0.788 -3.918 1.00 41.23 C ATOM 2172 C THR A 640 -1.168 2.005 -4.060 1.00 63.21 C ATOM 2173 O THR A 640 -0.315 2.100 -4.959 1.00 45.23 O ATOM 2174 CB THR A 640 -1.331 -0.472 -4.327 1.00 12.34 C ATOM 2175 OG1 THR A 640 -1.370 -0.545 -5.761 1.00 54.23 O ATOM 2176 CG2 THR A 640 -2.029 -1.682 -3.730 1.00 73.22 C ATOM 0 H THR A 640 -3.025 0.751 -5.718 1.00 54.31 H new ATOM 0 HA THR A 640 -2.334 0.694 -2.870 1.00 41.23 H new ATOM 0 HB THR A 640 -0.301 -0.460 -3.970 1.00 12.34 H new ATOM 0 HG1 THR A 640 -1.026 0.290 -6.141 1.00 54.23 H new ATOM 0 HG21 THR A 640 -1.504 -2.589 -4.029 1.00 73.22 H new ATOM 0 HG22 THR A 640 -2.027 -1.603 -2.643 1.00 73.22 H new ATOM 0 HG23 THR A 640 -3.057 -1.723 -4.089 1.00 73.22 H new ATOM 2184 N LYS A 641 -1.410 2.934 -3.201 1.00 74.43 N ATOM 2185 CA LYS A 641 -0.768 4.200 -3.195 1.00 64.32 C ATOM 2186 C LYS A 641 -1.136 4.866 -1.924 1.00 61.35 C ATOM 2187 O LYS A 641 -2.291 4.872 -1.555 1.00 22.31 O ATOM 2188 CB LYS A 641 -1.267 5.048 -4.388 1.00 11.42 C ATOM 2189 CG LYS A 641 -0.908 6.537 -4.333 1.00 2.42 C ATOM 2190 CD LYS A 641 0.573 6.800 -4.492 1.00 62.41 C ATOM 2191 CE LYS A 641 0.875 8.280 -4.291 1.00 62.14 C ATOM 2192 NZ LYS A 641 0.083 9.170 -5.179 1.00 14.34 N ATOM 0 H LYS A 641 -2.092 2.825 -2.450 1.00 74.43 H new ATOM 0 HA LYS A 641 0.313 4.088 -3.282 1.00 64.32 H new ATOM 0 HB2 LYS A 641 -0.859 4.627 -5.307 1.00 11.42 H new ATOM 0 HB3 LYS A 641 -2.351 4.955 -4.449 1.00 11.42 H new ATOM 0 HG2 LYS A 641 -1.450 7.064 -5.118 1.00 2.42 H new ATOM 0 HG3 LYS A 641 -1.244 6.950 -3.382 1.00 2.42 H new ATOM 0 HD2 LYS A 641 1.134 6.207 -3.770 1.00 62.41 H new ATOM 0 HD3 LYS A 641 0.900 6.487 -5.484 1.00 62.41 H new ATOM 0 HE2 LYS A 641 0.677 8.546 -3.253 1.00 62.14 H new ATOM 0 HE3 LYS A 641 1.936 8.454 -4.468 1.00 62.14 H new ATOM 0 HZ1 LYS A 641 0.513 10.117 -5.195 1.00 14.34 H new ATOM 0 HZ2 LYS A 641 0.072 8.779 -6.142 1.00 14.34 H new ATOM 0 HZ3 LYS A 641 -0.891 9.238 -4.822 1.00 14.34 H new ATOM 2206 N LEU A 642 -0.174 5.353 -1.249 1.00 31.53 N ATOM 2207 CA LEU A 642 -0.397 6.102 -0.066 1.00 21.32 C ATOM 2208 C LEU A 642 0.439 7.340 -0.161 1.00 43.03 C ATOM 2209 O LEU A 642 1.663 7.274 -0.050 1.00 14.31 O ATOM 2210 CB LEU A 642 0.031 5.312 1.147 1.00 1.53 C ATOM 2211 CG LEU A 642 -0.177 6.015 2.470 1.00 54.24 C ATOM 2212 CD1 LEU A 642 -1.645 6.137 2.803 1.00 51.41 C ATOM 2213 CD2 LEU A 642 0.578 5.334 3.568 1.00 74.42 C ATOM 0 H LEU A 642 0.809 5.245 -1.500 1.00 31.53 H new ATOM 0 HA LEU A 642 -1.456 6.340 0.034 1.00 21.32 H new ATOM 0 HB2 LEU A 642 -0.518 4.371 1.162 1.00 1.53 H new ATOM 0 HB3 LEU A 642 1.087 5.063 1.046 1.00 1.53 H new ATOM 0 HG LEU A 642 0.220 7.025 2.374 1.00 54.24 H new ATOM 0 HD11 LEU A 642 -1.760 6.647 3.760 1.00 51.41 H new ATOM 0 HD12 LEU A 642 -2.148 6.710 2.024 1.00 51.41 H new ATOM 0 HD13 LEU A 642 -2.088 5.143 2.866 1.00 51.41 H new ATOM 0 HD21 LEU A 642 0.409 5.861 4.507 1.00 74.42 H new ATOM 0 HD22 LEU A 642 0.232 4.305 3.663 1.00 74.42 H new ATOM 0 HD23 LEU A 642 1.643 5.339 3.335 1.00 74.42 H new ATOM 2225 N GLU A 643 -0.183 8.428 -0.457 1.00 51.32 N ATOM 2226 CA GLU A 643 0.506 9.672 -0.543 1.00 44.14 C ATOM 2227 C GLU A 643 0.439 10.317 0.827 1.00 31.21 C ATOM 2228 O GLU A 643 -0.630 10.747 1.272 1.00 1.34 O ATOM 2229 CB GLU A 643 -0.138 10.540 -1.618 1.00 11.12 C ATOM 2230 CG GLU A 643 0.725 11.681 -2.093 1.00 24.13 C ATOM 2231 CD GLU A 643 0.188 12.310 -3.342 1.00 15.22 C ATOM 2232 OE1 GLU A 643 0.374 11.727 -4.437 1.00 62.21 O ATOM 2233 OE2 GLU A 643 -0.440 13.371 -3.272 1.00 71.31 O ATOM 0 H GLU A 643 -1.184 8.482 -0.647 1.00 51.32 H new ATOM 0 HA GLU A 643 1.550 9.538 -0.827 1.00 44.14 H new ATOM 0 HB2 GLU A 643 -0.392 9.912 -2.472 1.00 11.12 H new ATOM 0 HB3 GLU A 643 -1.073 10.944 -1.230 1.00 11.12 H new ATOM 0 HG2 GLU A 643 0.793 12.435 -1.308 1.00 24.13 H new ATOM 0 HG3 GLU A 643 1.737 11.318 -2.276 1.00 24.13 H new ATOM 2240 N VAL A 644 1.537 10.280 1.528 1.00 32.02 N ATOM 2241 CA VAL A 644 1.597 10.796 2.866 1.00 62.24 C ATOM 2242 C VAL A 644 2.041 12.234 2.846 1.00 41.42 C ATOM 2243 O VAL A 644 3.234 12.515 2.682 1.00 34.41 O ATOM 2244 CB VAL A 644 2.598 9.997 3.703 1.00 64.12 C ATOM 2245 CG1 VAL A 644 2.518 10.413 5.159 1.00 32.03 C ATOM 2246 CG2 VAL A 644 2.380 8.502 3.525 1.00 4.51 C ATOM 0 H VAL A 644 2.416 9.891 1.187 1.00 32.02 H new ATOM 0 HA VAL A 644 0.602 10.715 3.303 1.00 62.24 H new ATOM 0 HB VAL A 644 3.606 10.218 3.352 1.00 64.12 H new ATOM 0 HG11 VAL A 644 3.236 9.836 5.742 1.00 32.03 H new ATOM 0 HG12 VAL A 644 2.749 11.475 5.247 1.00 32.03 H new ATOM 0 HG13 VAL A 644 1.512 10.228 5.536 1.00 32.03 H new ATOM 0 HG21 VAL A 644 3.103 7.954 4.129 1.00 4.51 H new ATOM 0 HG22 VAL A 644 1.370 8.241 3.842 1.00 4.51 H new ATOM 0 HG23 VAL A 644 2.510 8.238 2.476 1.00 4.51 H new ATOM 2256 N ILE A 645 1.111 13.135 2.939 1.00 41.51 N ATOM 2257 CA ILE A 645 1.442 14.530 2.972 1.00 3.03 C ATOM 2258 C ILE A 645 1.698 14.914 4.413 1.00 34.03 C ATOM 2259 O ILE A 645 0.875 14.626 5.299 1.00 33.11 O ATOM 2260 CB ILE A 645 0.338 15.471 2.356 1.00 43.14 C ATOM 2261 CG1 ILE A 645 0.125 15.231 0.838 1.00 43.43 C ATOM 2262 CG2 ILE A 645 0.666 16.943 2.604 1.00 41.24 C ATOM 2263 CD1 ILE A 645 -0.654 13.982 0.479 1.00 74.31 C ATOM 0 H ILE A 645 0.113 12.930 2.994 1.00 41.51 H new ATOM 0 HA ILE A 645 2.325 14.671 2.348 1.00 3.03 H new ATOM 0 HB ILE A 645 -0.592 15.218 2.865 1.00 43.14 H new ATOM 0 HG12 ILE A 645 -0.393 16.094 0.420 1.00 43.43 H new ATOM 0 HG13 ILE A 645 1.101 15.181 0.355 1.00 43.43 H new ATOM 0 HG21 ILE A 645 -0.113 17.568 2.168 1.00 41.24 H new ATOM 0 HG22 ILE A 645 0.721 17.128 3.677 1.00 41.24 H new ATOM 0 HG23 ILE A 645 1.624 17.185 2.145 1.00 41.24 H new ATOM 0 HD11 ILE A 645 -0.746 13.909 -0.605 1.00 74.31 H new ATOM 0 HD12 ILE A 645 -0.130 13.105 0.858 1.00 74.31 H new ATOM 0 HD13 ILE A 645 -1.647 14.032 0.925 1.00 74.31 H new ATOM 2275 N ILE A 646 2.830 15.512 4.657 1.00 53.45 N ATOM 2276 CA ILE A 646 3.175 15.924 5.989 1.00 35.32 C ATOM 2277 C ILE A 646 2.920 17.394 6.063 1.00 72.30 C ATOM 2278 O ILE A 646 3.127 18.125 5.081 1.00 15.52 O ATOM 2279 CB ILE A 646 4.677 15.644 6.399 1.00 44.22 C ATOM 2280 CG1 ILE A 646 5.157 14.268 5.902 1.00 34.43 C ATOM 2281 CG2 ILE A 646 4.878 15.751 7.936 1.00 41.41 C ATOM 2282 CD1 ILE A 646 5.577 14.266 4.444 1.00 34.15 C ATOM 0 H ILE A 646 3.532 15.726 3.949 1.00 53.45 H new ATOM 0 HA ILE A 646 2.571 15.340 6.683 1.00 35.32 H new ATOM 0 HB ILE A 646 5.280 16.413 5.916 1.00 44.22 H new ATOM 0 HG12 ILE A 646 5.997 13.942 6.515 1.00 34.43 H new ATOM 0 HG13 ILE A 646 4.358 13.540 6.043 1.00 34.43 H new ATOM 0 HG21 ILE A 646 5.921 15.553 8.181 1.00 41.41 H new ATOM 0 HG22 ILE A 646 4.611 16.754 8.269 1.00 41.41 H new ATOM 0 HG23 ILE A 646 4.242 15.021 8.438 1.00 41.41 H new ATOM 0 HD11 ILE A 646 5.904 13.265 4.161 1.00 34.15 H new ATOM 0 HD12 ILE A 646 4.732 14.562 3.822 1.00 34.15 H new ATOM 0 HD13 ILE A 646 6.397 14.969 4.301 1.00 34.15 H new ATOM 2294 N GLU A 647 2.433 17.803 7.155 1.00 15.14 N ATOM 2295 CA GLU A 647 2.155 19.166 7.424 1.00 23.41 C ATOM 2296 C GLU A 647 2.652 19.459 8.799 1.00 51.10 C ATOM 2297 O GLU A 647 2.851 18.519 9.581 1.00 4.14 O ATOM 2298 CB GLU A 647 0.648 19.424 7.338 1.00 74.34 C ATOM 2299 CG GLU A 647 -0.189 18.262 7.859 1.00 44.40 C ATOM 2300 CD GLU A 647 -1.607 18.626 8.164 1.00 44.32 C ATOM 2301 OE1 GLU A 647 -2.375 18.953 7.225 1.00 74.43 O ATOM 2302 OE2 GLU A 647 -1.978 18.594 9.350 1.00 23.32 O ATOM 0 H GLU A 647 2.202 17.180 7.929 1.00 15.14 H new ATOM 0 HA GLU A 647 2.646 19.810 6.694 1.00 23.41 H new ATOM 0 HB2 GLU A 647 0.406 20.322 7.907 1.00 74.34 H new ATOM 0 HB3 GLU A 647 0.378 19.622 6.301 1.00 74.34 H new ATOM 0 HG2 GLU A 647 -0.181 17.461 7.120 1.00 44.40 H new ATOM 0 HG3 GLU A 647 0.277 17.867 8.762 1.00 44.40 H new ATOM 2309 N GLU A 648 2.880 20.721 9.117 1.00 11.31 N ATOM 2310 CA GLU A 648 3.259 21.086 10.464 1.00 41.35 C ATOM 2311 C GLU A 648 2.062 20.964 11.402 1.00 35.42 C ATOM 2312 O GLU A 648 1.344 21.924 11.663 1.00 33.24 O ATOM 2313 CB GLU A 648 3.951 22.460 10.560 1.00 54.12 C ATOM 2314 CG GLU A 648 5.459 22.461 10.229 1.00 12.45 C ATOM 2315 CD GLU A 648 5.812 21.946 8.849 1.00 34.23 C ATOM 2316 OE1 GLU A 648 5.546 22.641 7.853 1.00 11.53 O ATOM 2317 OE2 GLU A 648 6.388 20.824 8.732 1.00 61.12 O ATOM 0 H GLU A 648 2.809 21.502 8.465 1.00 11.31 H new ATOM 0 HA GLU A 648 4.019 20.375 10.787 1.00 41.35 H new ATOM 0 HB2 GLU A 648 3.447 23.151 9.885 1.00 54.12 H new ATOM 0 HB3 GLU A 648 3.817 22.847 11.570 1.00 54.12 H new ATOM 0 HG2 GLU A 648 5.837 23.479 10.328 1.00 12.45 H new ATOM 0 HG3 GLU A 648 5.979 21.854 10.971 1.00 12.45 H new ATOM 2324 N SER A 649 1.810 19.712 11.722 1.00 62.13 N ATOM 2325 CA SER A 649 0.804 19.176 12.620 1.00 63.42 C ATOM 2326 C SER A 649 -0.479 20.012 12.767 1.00 42.30 C ATOM 2327 O SER A 649 -0.575 20.874 13.643 1.00 34.20 O ATOM 2328 CB SER A 649 1.428 18.874 13.993 1.00 65.32 C ATOM 2329 OG SER A 649 0.653 17.940 14.720 1.00 22.01 O ATOM 0 H SER A 649 2.367 18.961 11.314 1.00 62.13 H new ATOM 0 HA SER A 649 0.464 18.256 12.145 1.00 63.42 H new ATOM 0 HB2 SER A 649 2.437 18.484 13.858 1.00 65.32 H new ATOM 0 HB3 SER A 649 1.517 19.798 14.565 1.00 65.32 H new ATOM 0 HG SER A 649 -0.253 18.292 14.843 1.00 22.01 H new