USER MOD reduce.3.24.130724 H: found=0, std=0, add=1140, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1139 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 593 THR OG1 : rot 180:sc= -0.0684 USER MOD Set 1.2: A 596 ASN : amide:sc= -1.47 K(o=-1.6,f=-7.5!) USER MOD Set 1.3: A 599 MET CE :methyl -173:sc= -0.0445 (180deg=-0.13) USER MOD Set 2.1: A 590 SER OG : rot 101:sc= 1.98 USER MOD Set 2.2: A 600 LYS NZ :NH3+ 158:sc= 2.33 (180deg=0.394) USER MOD Single : A 534 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 535 CYS SG : rot 180:sc= -0.173 USER MOD Single : A 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 SER OG : rot 180:sc= 0 USER MOD Single : A 542 MET CE :methyl 179:sc= 0 (180deg=-0.000645) USER MOD Single : A 547 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.0045) USER MOD Single : A 551 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 554 THR OG1 : rot 107:sc= 1.61 USER MOD Single : A 556 MET CE :methyl 170:sc= -0.0766 (180deg=-0.238) USER MOD Single : A 558 THR OG1 : rot -29:sc= 0.0229 USER MOD Single : A 559 LYS NZ :NH3+ -161:sc= 1.38 (180deg=1.2) USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 GLN : amide:sc= 0.148 X(o=0.15,f=0) USER MOD Single : A 570 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 THR OG1 : rot 180:sc= -0.0091 USER MOD Single : A 579 LYS NZ :NH3+ -119:sc= 0.555 (180deg=-0.0921) USER MOD Single : A 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 581 MET CE :methyl -176:sc= -0.931 (180deg=-0.94) USER MOD Single : A 582 TYR OH : rot 180:sc= -0.144 USER MOD Single : A 585 GLN : amide:sc= 0.0461 K(o=0.046,f=-2.8!) USER MOD Single : A 586 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 594 LYS NZ :NH3+ -171:sc=-0.00277 (180deg=-0.0883) USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 605 SER OG : rot 94:sc= 0.18 USER MOD Single : A 606 TYR OH : rot 180:sc= -0.037 USER MOD Single : A 611 CYS SG : rot 180:sc= -0.182 USER MOD Single : A 614 THR OG1 : rot 80:sc= 1.64 USER MOD Single : A 619 THR OG1 : rot 180:sc= 0 USER MOD Single : A 621 SER OG : rot 12:sc= 0.772 USER MOD Single : A 626 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 628 CYS SG : rot 20:sc= -0.2 USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD Single : A 634 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 637 ASN : amide:sc= 1.04 K(o=1,f=-3.7!) USER MOD Single : A 639 ASN : amide:sc= 1.15 K(o=1.2,f=-0.0024) USER MOD Single : A 645 TYR OH : rot 180:sc= 0 USER MOD Single : A 647 MET CE :methyl 179:sc= -0.0615 (180deg=-0.0656) USER MOD Single : A 648 MET CE :methyl 165:sc= -0.195 (180deg=-0.72) USER MOD Single : A 654 THR OG1 : rot 180:sc= 0 USER MOD Single : A 665 LYS NZ :NH3+ 162:sc= 1.26 (180deg=1.22) USER MOD Single : A 666 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 667 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 668 SER OG : rot 180:sc= 0 USER MOD Single : A 672 HIS : no HD1:sc= -0.0049 X(o=-0.0049,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 534 6.134 12.224 7.614 1.00 4.99 N ATOM 2 CA ASN A 534 5.456 10.932 7.779 1.00 5.19 C ATOM 3 C ASN A 534 5.359 10.109 6.481 1.00 3.81 C ATOM 4 O ASN A 534 5.476 8.886 6.525 1.00 4.29 O ATOM 5 CB ASN A 534 4.059 11.173 8.381 1.00 6.40 C ATOM 6 CG ASN A 534 4.106 11.935 9.692 1.00 7.50 C ATOM 7 OD1 ASN A 534 3.664 13.071 9.781 1.00 7.69 O ATOM 8 ND2 ASN A 534 4.693 11.364 10.713 1.00 8.88 N ATOM 0 HA ASN A 534 6.065 10.331 8.455 1.00 5.19 H new ATOM 0 HB2 ASN A 534 3.451 11.727 7.666 1.00 6.40 H new ATOM 0 HB3 ASN A 534 3.567 10.214 8.541 1.00 6.40 H new ATOM 0 HD21 ASN A 534 4.786 11.868 11.595 1.00 8.88 H new ATOM 0 HD22 ASN A 534 5.058 10.415 10.626 1.00 8.88 H new ATOM 15 N CYS A 535 5.229 10.754 5.317 1.00 2.64 N ATOM 16 CA CYS A 535 5.159 10.081 4.016 1.00 1.80 C ATOM 17 C CYS A 535 6.345 9.115 3.767 1.00 1.36 C ATOM 18 O CYS A 535 6.145 7.974 3.343 1.00 1.30 O ATOM 19 CB CYS A 535 5.053 11.178 2.946 1.00 2.50 C ATOM 20 SG CYS A 535 4.444 10.478 1.389 1.00 3.39 S ATOM 0 H CYS A 535 5.169 11.770 5.251 1.00 2.64 H new ATOM 0 HA CYS A 535 4.283 9.434 3.981 1.00 1.80 H new ATOM 0 HB2 CYS A 535 4.380 11.965 3.287 1.00 2.50 H new ATOM 0 HB3 CYS A 535 6.028 11.638 2.789 1.00 2.50 H new ATOM 0 HG CYS A 535 4.358 11.418 0.495 1.00 3.39 H new ATOM 26 N ARG A 536 7.573 9.521 4.130 1.00 1.43 N ATOM 27 CA ARG A 536 8.788 8.682 4.044 1.00 1.27 C ATOM 28 C ARG A 536 8.908 7.686 5.204 1.00 1.26 C ATOM 29 O ARG A 536 9.524 6.633 5.040 1.00 1.32 O ATOM 30 CB ARG A 536 10.013 9.608 3.961 1.00 1.52 C ATOM 31 CG ARG A 536 11.323 8.904 3.570 1.00 2.14 C ATOM 32 CD ARG A 536 12.556 9.792 3.787 1.00 2.33 C ATOM 33 NE ARG A 536 12.509 11.036 2.999 1.00 2.56 N ATOM 34 CZ ARG A 536 12.410 12.271 3.460 1.00 3.14 C ATOM 35 NH1 ARG A 536 12.250 12.575 4.714 1.00 3.65 N ATOM 36 NH2 ARG A 536 12.445 13.291 2.661 1.00 4.40 N ATOM 0 H ARG A 536 7.756 10.455 4.497 1.00 1.43 H new ATOM 0 HA ARG A 536 8.725 8.068 3.146 1.00 1.27 H new ATOM 0 HB2 ARG A 536 9.808 10.395 3.235 1.00 1.52 H new ATOM 0 HB3 ARG A 536 10.151 10.093 4.927 1.00 1.52 H new ATOM 0 HG2 ARG A 536 11.430 7.991 4.156 1.00 2.14 H new ATOM 0 HG3 ARG A 536 11.273 8.607 2.522 1.00 2.14 H new ATOM 0 HD2 ARG A 536 12.638 10.040 4.845 1.00 2.33 H new ATOM 0 HD3 ARG A 536 13.453 9.232 3.521 1.00 2.33 H new ATOM 0 HE ARG A 536 12.558 10.933 1.985 1.00 2.56 H new ATOM 0 HH11 ARG A 536 12.193 11.836 5.415 1.00 3.65 H new ATOM 0 HH12 ARG A 536 12.181 13.553 4.997 1.00 3.65 H new ATOM 0 HH21 ARG A 536 12.551 13.149 1.657 1.00 4.40 H new ATOM 0 HH22 ARG A 536 12.367 14.236 3.037 1.00 4.40 H new ATOM 50 N LYS A 537 8.315 7.981 6.364 1.00 1.39 N ATOM 51 CA LYS A 537 8.316 7.087 7.538 1.00 1.44 C ATOM 52 C LYS A 537 7.386 5.885 7.389 1.00 1.42 C ATOM 53 O LYS A 537 7.718 4.803 7.866 1.00 1.49 O ATOM 54 CB LYS A 537 7.980 7.853 8.808 1.00 1.72 C ATOM 55 CG LYS A 537 9.156 8.789 9.101 1.00 2.11 C ATOM 56 CD LYS A 537 9.091 9.340 10.513 1.00 2.65 C ATOM 57 CE LYS A 537 9.318 8.258 11.575 1.00 3.11 C ATOM 58 NZ LYS A 537 9.317 8.831 12.937 1.00 3.96 N ATOM 0 H LYS A 537 7.814 8.855 6.522 1.00 1.39 H new ATOM 0 HA LYS A 537 9.330 6.693 7.609 1.00 1.44 H new ATOM 0 HB2 LYS A 537 7.059 8.422 8.681 1.00 1.72 H new ATOM 0 HB3 LYS A 537 7.819 7.167 9.639 1.00 1.72 H new ATOM 0 HG2 LYS A 537 10.094 8.251 8.962 1.00 2.11 H new ATOM 0 HG3 LYS A 537 9.153 9.613 8.387 1.00 2.11 H new ATOM 0 HD2 LYS A 537 9.841 10.122 10.629 1.00 2.65 H new ATOM 0 HD3 LYS A 537 8.118 9.805 10.674 1.00 2.65 H new ATOM 0 HE2 LYS A 537 8.539 7.500 11.497 1.00 3.11 H new ATOM 0 HE3 LYS A 537 10.269 7.758 11.390 1.00 3.11 H new ATOM 0 HZ1 LYS A 537 9.473 8.074 13.632 1.00 3.96 H new ATOM 0 HZ2 LYS A 537 10.077 9.537 13.017 1.00 3.96 H new ATOM 0 HZ3 LYS A 537 8.401 9.287 13.121 1.00 3.96 H new ATOM 72 N LEU A 538 6.248 6.069 6.718 1.00 1.43 N ATOM 73 CA LEU A 538 5.210 5.041 6.592 1.00 1.54 C ATOM 74 C LEU A 538 5.546 4.015 5.510 1.00 1.37 C ATOM 75 O LEU A 538 5.464 2.816 5.770 1.00 1.52 O ATOM 76 CB LEU A 538 3.836 5.696 6.366 1.00 1.75 C ATOM 77 CG LEU A 538 3.277 6.478 7.573 1.00 1.68 C ATOM 78 CD1 LEU A 538 1.868 6.966 7.234 1.00 1.91 C ATOM 79 CD2 LEU A 538 3.231 5.638 8.852 1.00 3.18 C ATOM 0 H LEU A 538 6.018 6.942 6.243 1.00 1.43 H new ATOM 0 HA LEU A 538 5.168 4.486 7.529 1.00 1.54 H new ATOM 0 HB2 LEU A 538 3.910 6.374 5.516 1.00 1.75 H new ATOM 0 HB3 LEU A 538 3.121 4.920 6.093 1.00 1.75 H new ATOM 0 HG LEU A 538 3.947 7.316 7.765 1.00 1.68 H new ATOM 0 HD11 LEU A 538 1.462 7.521 8.080 1.00 1.91 H new ATOM 0 HD12 LEU A 538 1.909 7.616 6.360 1.00 1.91 H new ATOM 0 HD13 LEU A 538 1.228 6.110 7.020 1.00 1.91 H new ATOM 0 HD21 LEU A 538 2.829 6.239 9.668 1.00 3.18 H new ATOM 0 HD22 LEU A 538 2.593 4.769 8.694 1.00 3.18 H new ATOM 0 HD23 LEU A 538 4.238 5.307 9.107 1.00 3.18 H new ATOM 91 N VAL A 539 6.042 4.453 4.347 1.00 1.15 N ATOM 92 CA VAL A 539 6.574 3.527 3.328 1.00 1.04 C ATOM 93 C VAL A 539 7.757 2.713 3.891 1.00 1.10 C ATOM 94 O VAL A 539 7.833 1.506 3.693 1.00 1.21 O ATOM 95 CB VAL A 539 6.865 4.284 2.014 1.00 0.88 C ATOM 96 CG1 VAL A 539 8.313 4.748 1.879 1.00 0.86 C ATOM 97 CG2 VAL A 539 6.472 3.416 0.818 1.00 0.91 C ATOM 0 H VAL A 539 6.088 5.438 4.084 1.00 1.15 H new ATOM 0 HA VAL A 539 5.822 2.781 3.070 1.00 1.04 H new ATOM 0 HB VAL A 539 6.260 5.190 2.038 1.00 0.88 H new ATOM 0 HG11 VAL A 539 8.440 5.271 0.931 1.00 0.86 H new ATOM 0 HG12 VAL A 539 8.558 5.421 2.701 1.00 0.86 H new ATOM 0 HG13 VAL A 539 8.976 3.884 1.908 1.00 0.86 H new ATOM 0 HG21 VAL A 539 6.679 3.955 -0.106 1.00 0.91 H new ATOM 0 HG22 VAL A 539 7.047 2.490 0.835 1.00 0.91 H new ATOM 0 HG23 VAL A 539 5.409 3.183 0.871 1.00 0.91 H new ATOM 107 N ALA A 540 8.605 3.335 4.720 1.00 1.13 N ATOM 108 CA ALA A 540 9.706 2.680 5.432 1.00 1.25 C ATOM 109 C ALA A 540 9.278 1.793 6.622 1.00 1.39 C ATOM 110 O ALA A 540 10.129 1.134 7.227 1.00 1.47 O ATOM 111 CB ALA A 540 10.672 3.772 5.893 1.00 1.32 C ATOM 0 H ALA A 540 8.541 4.334 4.918 1.00 1.13 H new ATOM 0 HA ALA A 540 10.176 1.984 4.737 1.00 1.25 H new ATOM 0 HB1 ALA A 540 11.506 3.318 6.428 1.00 1.32 H new ATOM 0 HB2 ALA A 540 11.049 4.314 5.026 1.00 1.32 H new ATOM 0 HB3 ALA A 540 10.150 4.464 6.554 1.00 1.32 H new ATOM 117 N SER A 541 7.986 1.762 6.971 1.00 1.47 N ATOM 118 CA SER A 541 7.467 0.981 8.105 1.00 1.64 C ATOM 119 C SER A 541 7.236 -0.481 7.705 1.00 1.67 C ATOM 120 O SER A 541 7.154 -1.374 8.549 1.00 1.83 O ATOM 121 CB SER A 541 6.185 1.614 8.643 1.00 1.87 C ATOM 122 OG SER A 541 5.815 1.088 9.908 1.00 3.12 O ATOM 0 H SER A 541 7.264 2.282 6.472 1.00 1.47 H new ATOM 0 HA SER A 541 8.213 0.991 8.900 1.00 1.64 H new ATOM 0 HB2 SER A 541 6.322 2.692 8.726 1.00 1.87 H new ATOM 0 HB3 SER A 541 5.375 1.449 7.932 1.00 1.87 H new ATOM 0 HG SER A 541 4.991 1.522 10.214 1.00 3.12 H new ATOM 128 N MET A 542 7.184 -0.741 6.397 1.00 1.58 N ATOM 129 CA MET A 542 7.193 -2.073 5.819 1.00 1.70 C ATOM 130 C MET A 542 8.529 -2.789 6.099 1.00 1.63 C ATOM 131 O MET A 542 9.585 -2.195 5.869 1.00 1.51 O ATOM 132 CB MET A 542 6.978 -1.951 4.307 1.00 1.80 C ATOM 133 CG MET A 542 5.576 -1.461 3.932 1.00 1.59 C ATOM 134 SD MET A 542 5.193 -1.599 2.163 1.00 2.09 S ATOM 135 CE MET A 542 4.806 -3.368 2.048 1.00 1.63 C ATOM 0 H MET A 542 7.133 -0.003 5.695 1.00 1.58 H new ATOM 0 HA MET A 542 6.395 -2.663 6.270 1.00 1.70 H new ATOM 0 HB2 MET A 542 7.718 -1.264 3.896 1.00 1.80 H new ATOM 0 HB3 MET A 542 7.152 -2.922 3.843 1.00 1.80 H new ATOM 0 HG2 MET A 542 4.840 -2.031 4.498 1.00 1.59 H new ATOM 0 HG3 MET A 542 5.474 -0.419 4.235 1.00 1.59 H new ATOM 0 HE1 MET A 542 4.531 -3.614 1.022 1.00 1.63 H new ATOM 0 HE2 MET A 542 5.679 -3.951 2.340 1.00 1.63 H new ATOM 0 HE3 MET A 542 3.975 -3.603 2.713 1.00 1.63 H new ATOM 145 N PRO A 543 8.531 -4.081 6.483 1.00 1.81 N ATOM 146 CA PRO A 543 9.765 -4.857 6.663 1.00 1.90 C ATOM 147 C PRO A 543 10.515 -5.046 5.332 1.00 1.82 C ATOM 148 O PRO A 543 11.741 -5.136 5.308 1.00 1.87 O ATOM 149 CB PRO A 543 9.315 -6.189 7.277 1.00 2.21 C ATOM 150 CG PRO A 543 7.881 -6.355 6.770 1.00 2.26 C ATOM 151 CD PRO A 543 7.362 -4.918 6.699 1.00 2.04 C ATOM 0 HA PRO A 543 10.478 -4.347 7.311 1.00 1.90 H new ATOM 0 HB2 PRO A 543 9.951 -7.013 6.956 1.00 2.21 H new ATOM 0 HB3 PRO A 543 9.354 -6.162 8.366 1.00 2.21 H new ATOM 0 HG2 PRO A 543 7.853 -6.841 5.795 1.00 2.26 H new ATOM 0 HG3 PRO A 543 7.283 -6.965 7.447 1.00 2.26 H new ATOM 0 HD2 PRO A 543 6.644 -4.802 5.887 1.00 2.04 H new ATOM 0 HD3 PRO A 543 6.849 -4.642 7.620 1.00 2.04 H new ATOM 159 N LEU A 544 9.784 -5.008 4.214 1.00 1.75 N ATOM 160 CA LEU A 544 10.285 -4.974 2.837 1.00 1.62 C ATOM 161 C LEU A 544 11.132 -3.718 2.528 1.00 1.38 C ATOM 162 O LEU A 544 12.002 -3.761 1.659 1.00 1.40 O ATOM 163 CB LEU A 544 9.030 -5.132 1.955 1.00 1.66 C ATOM 164 CG LEU A 544 9.251 -5.290 0.440 1.00 2.03 C ATOM 165 CD1 LEU A 544 8.079 -6.081 -0.136 1.00 2.12 C ATOM 166 CD2 LEU A 544 9.252 -3.951 -0.302 1.00 2.67 C ATOM 0 H LEU A 544 8.765 -5.000 4.248 1.00 1.75 H new ATOM 0 HA LEU A 544 10.996 -5.777 2.641 1.00 1.62 H new ATOM 0 HB2 LEU A 544 8.476 -6.002 2.308 1.00 1.66 H new ATOM 0 HB3 LEU A 544 8.393 -4.262 2.115 1.00 1.66 H new ATOM 0 HG LEU A 544 10.217 -5.777 0.310 1.00 2.03 H new ATOM 0 HD11 LEU A 544 8.216 -6.204 -1.210 1.00 2.12 H new ATOM 0 HD12 LEU A 544 8.033 -7.061 0.339 1.00 2.12 H new ATOM 0 HD13 LEU A 544 7.150 -5.543 0.052 1.00 2.12 H new ATOM 0 HD21 LEU A 544 9.412 -4.125 -1.366 1.00 2.67 H new ATOM 0 HD22 LEU A 544 8.293 -3.453 -0.156 1.00 2.67 H new ATOM 0 HD23 LEU A 544 10.051 -3.320 0.087 1.00 2.67 H new ATOM 178 N PHE A 545 10.947 -2.628 3.280 1.00 1.24 N ATOM 179 CA PHE A 545 11.684 -1.361 3.184 1.00 1.09 C ATOM 180 C PHE A 545 12.644 -1.112 4.375 1.00 1.16 C ATOM 181 O PHE A 545 13.241 -0.036 4.465 1.00 1.11 O ATOM 182 CB PHE A 545 10.681 -0.197 3.081 1.00 1.04 C ATOM 183 CG PHE A 545 9.945 0.023 1.769 1.00 0.99 C ATOM 184 CD1 PHE A 545 8.996 -0.900 1.292 1.00 2.14 C ATOM 185 CD2 PHE A 545 10.104 1.252 1.100 1.00 1.92 C ATOM 186 CE1 PHE A 545 8.174 -0.568 0.199 1.00 2.16 C ATOM 187 CE2 PHE A 545 9.306 1.575 -0.009 1.00 1.92 C ATOM 188 CZ PHE A 545 8.316 0.675 -0.437 1.00 1.04 C ATOM 0 H PHE A 545 10.239 -2.604 4.014 1.00 1.24 H new ATOM 0 HA PHE A 545 12.306 -1.424 2.291 1.00 1.09 H new ATOM 0 HB2 PHE A 545 9.932 -0.337 3.860 1.00 1.04 H new ATOM 0 HB3 PHE A 545 11.217 0.722 3.317 1.00 1.04 H new ATOM 0 HD1 PHE A 545 8.898 -1.866 1.766 1.00 2.14 H new ATOM 0 HD2 PHE A 545 10.849 1.954 1.444 1.00 1.92 H new ATOM 0 HE1 PHE A 545 7.433 -1.271 -0.151 1.00 2.16 H new ATOM 0 HE2 PHE A 545 9.452 2.510 -0.530 1.00 1.92 H new ATOM 0 HZ PHE A 545 7.664 0.940 -1.256 1.00 1.04 H new ATOM 198 N ALA A 546 12.834 -2.069 5.291 1.00 1.35 N ATOM 199 CA ALA A 546 13.569 -1.896 6.555 1.00 1.52 C ATOM 200 C ALA A 546 15.031 -1.484 6.361 1.00 1.52 C ATOM 201 O ALA A 546 15.671 -0.865 7.214 1.00 1.63 O ATOM 202 CB ALA A 546 13.598 -3.262 7.219 1.00 1.80 C ATOM 0 H ALA A 546 12.471 -3.015 5.172 1.00 1.35 H new ATOM 0 HA ALA A 546 13.072 -1.114 7.129 1.00 1.52 H new ATOM 0 HB1 ALA A 546 14.133 -3.195 8.166 1.00 1.80 H new ATOM 0 HB2 ALA A 546 12.578 -3.599 7.402 1.00 1.80 H new ATOM 0 HB3 ALA A 546 14.104 -3.973 6.566 1.00 1.80 H new ATOM 208 N ASN A 547 15.556 -1.924 5.228 1.00 1.45 N ATOM 209 CA ASN A 547 16.947 -1.931 4.841 1.00 1.47 C ATOM 210 C ASN A 547 17.150 -1.162 3.514 1.00 1.27 C ATOM 211 O ASN A 547 18.234 -1.184 2.929 1.00 1.35 O ATOM 212 CB ASN A 547 17.310 -3.418 4.795 1.00 1.68 C ATOM 213 CG ASN A 547 17.375 -4.065 6.167 1.00 2.29 C ATOM 214 OD1 ASN A 547 18.267 -3.812 6.966 1.00 3.31 O ATOM 215 ND2 ASN A 547 16.462 -4.938 6.504 1.00 2.33 N ATOM 0 H ASN A 547 14.963 -2.318 4.497 1.00 1.45 H new ATOM 0 HA ASN A 547 17.610 -1.409 5.531 1.00 1.47 H new ATOM 0 HB2 ASN A 547 16.575 -3.945 4.187 1.00 1.68 H new ATOM 0 HB3 ASN A 547 18.274 -3.534 4.301 1.00 1.68 H new ATOM 0 HD21 ASN A 547 16.503 -5.392 7.416 1.00 2.33 H new ATOM 0 HD22 ASN A 547 15.709 -5.165 5.855 1.00 2.33 H new ATOM 222 N ALA A 548 16.094 -0.481 3.051 1.00 1.10 N ATOM 223 CA ALA A 548 16.059 0.319 1.826 1.00 0.98 C ATOM 224 C ALA A 548 17.008 1.534 1.860 1.00 0.94 C ATOM 225 O ALA A 548 17.264 2.111 2.924 1.00 1.00 O ATOM 226 CB ALA A 548 14.611 0.779 1.591 1.00 0.92 C ATOM 0 H ALA A 548 15.201 -0.474 3.545 1.00 1.10 H new ATOM 0 HA ALA A 548 16.410 -0.308 1.007 1.00 0.98 H new ATOM 0 HB1 ALA A 548 14.563 1.378 0.681 1.00 0.92 H new ATOM 0 HB2 ALA A 548 13.965 -0.093 1.487 1.00 0.92 H new ATOM 0 HB3 ALA A 548 14.278 1.378 2.438 1.00 0.92 H new ATOM 232 N ASP A 549 17.466 1.977 0.684 1.00 0.91 N ATOM 233 CA ASP A 549 18.158 3.263 0.530 1.00 0.91 C ATOM 234 C ASP A 549 17.161 4.438 0.692 1.00 0.80 C ATOM 235 O ASP A 549 16.148 4.473 -0.015 1.00 0.71 O ATOM 236 CB ASP A 549 18.879 3.324 -0.827 1.00 1.00 C ATOM 237 CG ASP A 549 19.679 4.621 -0.992 1.00 1.19 C ATOM 238 OD1 ASP A 549 19.050 5.691 -1.121 1.00 2.31 O ATOM 239 OD2 ASP A 549 20.932 4.594 -0.940 1.00 1.84 O ATOM 0 H ASP A 549 17.368 1.456 -0.187 1.00 0.91 H new ATOM 0 HA ASP A 549 18.910 3.354 1.314 1.00 0.91 H new ATOM 0 HB2 ASP A 549 19.549 2.470 -0.920 1.00 1.00 H new ATOM 0 HB3 ASP A 549 18.147 3.244 -1.631 1.00 1.00 H new ATOM 244 N PRO A 550 17.432 5.431 1.561 1.00 0.87 N ATOM 245 CA PRO A 550 16.507 6.529 1.883 1.00 0.88 C ATOM 246 C PRO A 550 16.160 7.456 0.701 1.00 0.86 C ATOM 247 O PRO A 550 15.251 8.285 0.805 1.00 0.91 O ATOM 248 CB PRO A 550 17.212 7.316 2.994 1.00 1.00 C ATOM 249 CG PRO A 550 18.684 7.079 2.678 1.00 1.04 C ATOM 250 CD PRO A 550 18.680 5.613 2.284 1.00 0.99 C ATOM 0 HA PRO A 550 15.541 6.117 2.175 1.00 0.88 H new ATOM 0 HB2 PRO A 550 16.956 8.375 2.967 1.00 1.00 H new ATOM 0 HB3 PRO A 550 16.945 6.949 3.985 1.00 1.00 H new ATOM 0 HG2 PRO A 550 19.038 7.719 1.870 1.00 1.04 H new ATOM 0 HG3 PRO A 550 19.324 7.270 3.540 1.00 1.04 H new ATOM 0 HD2 PRO A 550 19.539 5.368 1.660 1.00 0.99 H new ATOM 0 HD3 PRO A 550 18.728 4.967 3.160 1.00 0.99 H new ATOM 258 N ASN A 551 16.863 7.337 -0.424 1.00 0.86 N ATOM 259 CA ASN A 551 16.608 8.081 -1.658 1.00 0.88 C ATOM 260 C ASN A 551 15.658 7.297 -2.571 1.00 0.79 C ATOM 261 O ASN A 551 14.702 7.868 -3.092 1.00 0.84 O ATOM 262 CB ASN A 551 17.926 8.417 -2.379 1.00 1.01 C ATOM 263 CG ASN A 551 18.940 9.127 -1.503 1.00 1.17 C ATOM 264 OD1 ASN A 551 18.948 10.347 -1.383 1.00 1.84 O ATOM 265 ND2 ASN A 551 19.806 8.387 -0.855 1.00 1.60 N ATOM 0 H ASN A 551 17.654 6.698 -0.505 1.00 0.86 H new ATOM 0 HA ASN A 551 16.125 9.023 -1.399 1.00 0.88 H new ATOM 0 HB2 ASN A 551 18.368 7.495 -2.756 1.00 1.01 H new ATOM 0 HB3 ASN A 551 17.707 9.042 -3.244 1.00 1.01 H new ATOM 0 HD21 ASN A 551 20.495 8.825 -0.244 1.00 1.60 H new ATOM 0 HD22 ASN A 551 19.791 7.373 -0.962 1.00 1.60 H new ATOM 272 N PHE A 552 15.862 5.983 -2.691 1.00 0.72 N ATOM 273 CA PHE A 552 14.992 5.062 -3.438 1.00 0.64 C ATOM 274 C PHE A 552 13.553 5.093 -2.904 1.00 0.56 C ATOM 275 O PHE A 552 12.606 5.287 -3.667 1.00 0.58 O ATOM 276 CB PHE A 552 15.599 3.649 -3.363 1.00 0.67 C ATOM 277 CG PHE A 552 14.634 2.495 -3.569 1.00 0.61 C ATOM 278 CD1 PHE A 552 14.105 2.214 -4.840 1.00 1.86 C ATOM 279 CD2 PHE A 552 14.261 1.698 -2.469 1.00 1.73 C ATOM 280 CE1 PHE A 552 13.207 1.143 -5.008 1.00 1.82 C ATOM 281 CE2 PHE A 552 13.372 0.624 -2.637 1.00 1.83 C ATOM 282 CZ PHE A 552 12.847 0.343 -3.909 1.00 0.73 C ATOM 0 H PHE A 552 16.659 5.514 -2.260 1.00 0.72 H new ATOM 0 HA PHE A 552 14.936 5.375 -4.481 1.00 0.64 H new ATOM 0 HB2 PHE A 552 16.388 3.574 -4.112 1.00 0.67 H new ATOM 0 HB3 PHE A 552 16.072 3.530 -2.388 1.00 0.67 H new ATOM 0 HD1 PHE A 552 14.387 2.820 -5.688 1.00 1.86 H new ATOM 0 HD2 PHE A 552 14.662 1.914 -1.490 1.00 1.73 H new ATOM 0 HE1 PHE A 552 12.793 0.935 -5.984 1.00 1.82 H new ATOM 0 HE2 PHE A 552 13.093 0.015 -1.790 1.00 1.83 H new ATOM 0 HZ PHE A 552 12.168 -0.486 -4.043 1.00 0.73 H new ATOM 292 N VAL A 553 13.388 5.003 -1.580 1.00 0.55 N ATOM 293 CA VAL A 553 12.058 5.028 -0.926 1.00 0.58 C ATOM 294 C VAL A 553 11.312 6.352 -1.134 1.00 0.65 C ATOM 295 O VAL A 553 10.087 6.407 -1.173 1.00 0.74 O ATOM 296 CB VAL A 553 12.161 4.737 0.579 1.00 0.66 C ATOM 297 CG1 VAL A 553 12.969 3.469 0.792 1.00 1.37 C ATOM 298 CG2 VAL A 553 12.861 5.803 1.419 1.00 1.22 C ATOM 0 H VAL A 553 14.165 4.911 -0.926 1.00 0.55 H new ATOM 0 HA VAL A 553 11.483 4.238 -1.410 1.00 0.58 H new ATOM 0 HB VAL A 553 11.122 4.678 0.904 1.00 0.66 H new ATOM 0 HG11 VAL A 553 13.044 3.260 1.859 1.00 1.37 H new ATOM 0 HG12 VAL A 553 12.476 2.635 0.293 1.00 1.37 H new ATOM 0 HG13 VAL A 553 13.968 3.600 0.377 1.00 1.37 H new ATOM 0 HG21 VAL A 553 12.875 5.492 2.464 1.00 1.22 H new ATOM 0 HG22 VAL A 553 13.884 5.932 1.065 1.00 1.22 H new ATOM 0 HG23 VAL A 553 12.324 6.747 1.329 1.00 1.22 H new ATOM 308 N THR A 554 12.089 7.423 -1.267 1.00 0.69 N ATOM 309 CA THR A 554 11.664 8.817 -1.452 1.00 0.78 C ATOM 310 C THR A 554 11.333 9.136 -2.909 1.00 0.81 C ATOM 311 O THR A 554 10.408 9.906 -3.180 1.00 0.85 O ATOM 312 CB THR A 554 12.750 9.769 -0.930 1.00 0.85 C ATOM 313 OG1 THR A 554 12.901 9.607 0.461 1.00 0.89 O ATOM 314 CG2 THR A 554 12.406 11.229 -1.175 1.00 0.93 C ATOM 0 H THR A 554 13.105 7.339 -1.248 1.00 0.69 H new ATOM 0 HA THR A 554 10.748 8.958 -0.879 1.00 0.78 H new ATOM 0 HB THR A 554 13.664 9.519 -1.468 1.00 0.85 H new ATOM 0 HG1 THR A 554 13.737 9.131 0.646 1.00 0.89 H new ATOM 0 HG21 THR A 554 13.205 11.861 -0.788 1.00 0.93 H new ATOM 0 HG22 THR A 554 12.293 11.402 -2.245 1.00 0.93 H new ATOM 0 HG23 THR A 554 11.473 11.473 -0.668 1.00 0.93 H new ATOM 322 N ALA A 555 12.042 8.523 -3.862 1.00 0.83 N ATOM 323 CA ALA A 555 11.834 8.750 -5.290 1.00 0.88 C ATOM 324 C ALA A 555 10.442 8.279 -5.757 1.00 0.94 C ATOM 325 O ALA A 555 9.942 8.725 -6.790 1.00 1.02 O ATOM 326 CB ALA A 555 12.949 8.038 -6.067 1.00 0.94 C ATOM 0 H ALA A 555 12.782 7.850 -3.659 1.00 0.83 H new ATOM 0 HA ALA A 555 11.873 9.822 -5.485 1.00 0.88 H new ATOM 0 HB1 ALA A 555 12.807 8.198 -7.136 1.00 0.94 H new ATOM 0 HB2 ALA A 555 13.916 8.439 -5.765 1.00 0.94 H new ATOM 0 HB3 ALA A 555 12.917 6.970 -5.853 1.00 0.94 H new ATOM 332 N MET A 556 9.786 7.407 -4.981 1.00 0.95 N ATOM 333 CA MET A 556 8.379 7.028 -5.211 1.00 1.11 C ATOM 334 C MET A 556 7.398 8.197 -5.016 1.00 1.05 C ATOM 335 O MET A 556 6.402 8.312 -5.732 1.00 1.20 O ATOM 336 CB MET A 556 7.997 5.911 -4.232 1.00 1.42 C ATOM 337 CG MET A 556 8.498 4.556 -4.705 1.00 0.73 C ATOM 338 SD MET A 556 8.294 3.260 -3.465 1.00 0.91 S ATOM 339 CE MET A 556 9.988 2.646 -3.528 1.00 0.66 C ATOM 0 H MET A 556 10.211 6.944 -4.178 1.00 0.95 H new ATOM 0 HA MET A 556 8.303 6.703 -6.249 1.00 1.11 H new ATOM 0 HB2 MET A 556 8.413 6.130 -3.249 1.00 1.42 H new ATOM 0 HB3 MET A 556 6.913 5.880 -4.120 1.00 1.42 H new ATOM 0 HG2 MET A 556 7.963 4.272 -5.611 1.00 0.73 H new ATOM 0 HG3 MET A 556 9.552 4.636 -4.969 1.00 0.73 H new ATOM 0 HE1 MET A 556 10.152 1.946 -2.709 1.00 0.66 H new ATOM 0 HE2 MET A 556 10.156 2.139 -4.478 1.00 0.66 H new ATOM 0 HE3 MET A 556 10.682 3.482 -3.435 1.00 0.66 H new ATOM 349 N LEU A 557 7.664 9.058 -4.028 1.00 0.98 N ATOM 350 CA LEU A 557 6.656 9.908 -3.380 1.00 1.06 C ATOM 351 C LEU A 557 6.189 11.094 -4.254 1.00 1.23 C ATOM 352 O LEU A 557 5.121 11.666 -4.029 1.00 1.32 O ATOM 353 CB LEU A 557 7.196 10.358 -2.009 1.00 1.00 C ATOM 354 CG LEU A 557 7.688 9.218 -1.088 1.00 0.92 C ATOM 355 CD1 LEU A 557 8.183 9.790 0.241 1.00 0.95 C ATOM 356 CD2 LEU A 557 6.618 8.161 -0.804 1.00 0.98 C ATOM 0 H LEU A 557 8.602 9.187 -3.649 1.00 0.98 H new ATOM 0 HA LEU A 557 5.752 9.316 -3.236 1.00 1.06 H new ATOM 0 HB2 LEU A 557 8.020 11.053 -2.171 1.00 1.00 H new ATOM 0 HB3 LEU A 557 6.411 10.909 -1.491 1.00 1.00 H new ATOM 0 HG LEU A 557 8.499 8.726 -1.625 1.00 0.92 H new ATOM 0 HD11 LEU A 557 8.527 8.978 0.881 1.00 0.95 H new ATOM 0 HD12 LEU A 557 9.006 10.480 0.056 1.00 0.95 H new ATOM 0 HD13 LEU A 557 7.369 10.321 0.734 1.00 0.95 H new ATOM 0 HD21 LEU A 557 7.031 7.391 -0.152 1.00 0.98 H new ATOM 0 HD22 LEU A 557 5.764 8.630 -0.316 1.00 0.98 H new ATOM 0 HD23 LEU A 557 6.296 7.708 -1.742 1.00 0.98 H new ATOM 368 N THR A 558 6.952 11.422 -5.298 1.00 1.27 N ATOM 369 CA THR A 558 6.657 12.518 -6.234 1.00 1.43 C ATOM 370 C THR A 558 5.761 12.108 -7.420 1.00 1.02 C ATOM 371 O THR A 558 5.162 12.978 -8.059 1.00 1.31 O ATOM 372 CB THR A 558 7.978 13.172 -6.681 1.00 1.89 C ATOM 373 OG1 THR A 558 7.729 14.391 -7.336 1.00 3.51 O ATOM 374 CG2 THR A 558 8.819 12.291 -7.605 1.00 1.84 C ATOM 0 H THR A 558 7.813 10.924 -5.525 1.00 1.27 H new ATOM 0 HA THR A 558 6.057 13.256 -5.702 1.00 1.43 H new ATOM 0 HB THR A 558 8.547 13.329 -5.765 1.00 1.89 H new ATOM 0 HG1 THR A 558 6.854 14.353 -7.776 1.00 3.51 H new ATOM 0 HG21 THR A 558 9.733 12.818 -7.878 1.00 1.84 H new ATOM 0 HG22 THR A 558 9.074 11.364 -7.091 1.00 1.84 H new ATOM 0 HG23 THR A 558 8.250 12.062 -8.506 1.00 1.84 H new ATOM 382 N LYS A 559 5.625 10.803 -7.731 1.00 0.82 N ATOM 383 CA LYS A 559 4.779 10.276 -8.825 1.00 1.19 C ATOM 384 C LYS A 559 3.774 9.207 -8.388 1.00 1.73 C ATOM 385 O LYS A 559 3.343 8.370 -9.184 1.00 2.46 O ATOM 386 CB LYS A 559 5.570 10.077 -10.133 1.00 1.30 C ATOM 387 CG LYS A 559 6.698 9.034 -10.168 1.00 1.83 C ATOM 388 CD LYS A 559 6.232 7.618 -10.529 1.00 2.23 C ATOM 389 CE LYS A 559 6.222 6.678 -9.320 1.00 3.33 C ATOM 390 NZ LYS A 559 7.190 5.572 -9.527 1.00 5.04 N ATOM 0 H LYS A 559 6.111 10.068 -7.217 1.00 0.82 H new ATOM 0 HA LYS A 559 4.072 11.053 -9.116 1.00 1.19 H new ATOM 0 HB2 LYS A 559 4.855 9.816 -10.914 1.00 1.30 H new ATOM 0 HB3 LYS A 559 6.003 11.039 -10.406 1.00 1.30 H new ATOM 0 HG2 LYS A 559 7.450 9.352 -10.890 1.00 1.83 H new ATOM 0 HG3 LYS A 559 7.184 9.007 -9.193 1.00 1.83 H new ATOM 0 HD2 LYS A 559 5.230 7.666 -10.956 1.00 2.23 H new ATOM 0 HD3 LYS A 559 6.887 7.208 -11.298 1.00 2.23 H new ATOM 0 HE2 LYS A 559 6.478 7.232 -8.417 1.00 3.33 H new ATOM 0 HE3 LYS A 559 5.221 6.273 -9.173 1.00 3.33 H new ATOM 0 HZ1 LYS A 559 6.960 4.785 -8.887 1.00 5.04 H new ATOM 0 HZ2 LYS A 559 7.136 5.244 -10.512 1.00 5.04 H new ATOM 0 HZ3 LYS A 559 8.153 5.911 -9.327 1.00 5.04 H new ATOM 404 N LEU A 560 3.432 9.241 -7.098 1.00 1.46 N ATOM 405 CA LEU A 560 2.256 8.581 -6.536 1.00 1.54 C ATOM 406 C LEU A 560 1.010 9.490 -6.499 1.00 1.41 C ATOM 407 O LEU A 560 1.126 10.699 -6.742 1.00 1.62 O ATOM 408 CB LEU A 560 2.571 7.915 -5.207 1.00 2.04 C ATOM 409 CG LEU A 560 2.958 8.793 -4.013 1.00 0.92 C ATOM 410 CD1 LEU A 560 1.980 9.880 -3.565 1.00 2.63 C ATOM 411 CD2 LEU A 560 3.056 7.794 -2.878 1.00 1.07 C ATOM 0 H LEU A 560 3.981 9.742 -6.399 1.00 1.46 H new ATOM 0 HA LEU A 560 1.983 7.778 -7.221 1.00 1.54 H new ATOM 0 HB2 LEU A 560 1.699 7.330 -4.917 1.00 2.04 H new ATOM 0 HB3 LEU A 560 3.386 7.211 -5.376 1.00 2.04 H new ATOM 0 HG LEU A 560 3.849 9.354 -4.296 1.00 0.92 H new ATOM 0 HD11 LEU A 560 2.396 10.414 -2.711 1.00 2.63 H new ATOM 0 HD12 LEU A 560 1.813 10.579 -4.384 1.00 2.63 H new ATOM 0 HD13 LEU A 560 1.033 9.422 -3.280 1.00 2.63 H new ATOM 0 HD21 LEU A 560 3.331 8.313 -1.959 1.00 1.07 H new ATOM 0 HD22 LEU A 560 2.093 7.302 -2.743 1.00 1.07 H new ATOM 0 HD23 LEU A 560 3.815 7.048 -3.114 1.00 1.07 H new ATOM 423 N LYS A 561 -0.151 8.930 -6.130 1.00 1.15 N ATOM 424 CA LYS A 561 -1.384 9.681 -5.836 1.00 0.93 C ATOM 425 C LYS A 561 -1.798 9.586 -4.362 1.00 0.75 C ATOM 426 O LYS A 561 -1.558 8.575 -3.702 1.00 0.69 O ATOM 427 CB LYS A 561 -2.526 9.201 -6.753 1.00 1.15 C ATOM 428 CG LYS A 561 -3.514 10.329 -7.109 1.00 1.15 C ATOM 429 CD LYS A 561 -3.209 11.008 -8.455 1.00 1.57 C ATOM 430 CE LYS A 561 -1.751 11.461 -8.638 1.00 1.59 C ATOM 431 NZ LYS A 561 -1.452 11.694 -10.069 1.00 1.99 N ATOM 0 H LYS A 561 -0.263 7.922 -6.025 1.00 1.15 H new ATOM 0 HA LYS A 561 -1.177 10.733 -6.034 1.00 0.93 H new ATOM 0 HB2 LYS A 561 -2.103 8.791 -7.670 1.00 1.15 H new ATOM 0 HB3 LYS A 561 -3.066 8.392 -6.261 1.00 1.15 H new ATOM 0 HG2 LYS A 561 -4.524 9.921 -7.137 1.00 1.15 H new ATOM 0 HG3 LYS A 561 -3.496 11.080 -6.319 1.00 1.15 H new ATOM 0 HD2 LYS A 561 -3.463 10.317 -9.259 1.00 1.57 H new ATOM 0 HD3 LYS A 561 -3.860 11.876 -8.563 1.00 1.57 H new ATOM 0 HE2 LYS A 561 -1.575 12.375 -8.071 1.00 1.59 H new ATOM 0 HE3 LYS A 561 -1.077 10.703 -8.239 1.00 1.59 H new ATOM 0 HZ1 LYS A 561 -0.463 11.999 -10.172 1.00 1.99 H new ATOM 0 HZ2 LYS A 561 -1.600 10.814 -10.602 1.00 1.99 H new ATOM 0 HZ3 LYS A 561 -2.083 12.433 -10.440 1.00 1.99 H new ATOM 445 N PHE A 562 -2.478 10.619 -3.868 1.00 0.91 N ATOM 446 CA PHE A 562 -3.327 10.556 -2.680 1.00 0.87 C ATOM 447 C PHE A 562 -4.794 10.870 -3.027 1.00 0.91 C ATOM 448 O PHE A 562 -5.081 11.696 -3.905 1.00 1.10 O ATOM 449 CB PHE A 562 -2.744 11.427 -1.552 1.00 1.09 C ATOM 450 CG PHE A 562 -3.493 12.711 -1.240 1.00 1.07 C ATOM 451 CD1 PHE A 562 -4.666 12.672 -0.458 1.00 1.50 C ATOM 452 CD2 PHE A 562 -3.025 13.945 -1.731 1.00 2.27 C ATOM 453 CE1 PHE A 562 -5.386 13.852 -0.206 1.00 1.49 C ATOM 454 CE2 PHE A 562 -3.728 15.129 -1.446 1.00 2.55 C ATOM 455 CZ PHE A 562 -4.915 15.082 -0.697 1.00 1.58 C ATOM 0 H PHE A 562 -2.453 11.546 -4.293 1.00 0.91 H new ATOM 0 HA PHE A 562 -3.336 9.536 -2.296 1.00 0.87 H new ATOM 0 HB2 PHE A 562 -2.700 10.827 -0.643 1.00 1.09 H new ATOM 0 HB3 PHE A 562 -1.718 11.684 -1.814 1.00 1.09 H new ATOM 0 HD1 PHE A 562 -5.012 11.733 -0.052 1.00 1.50 H new ATOM 0 HD2 PHE A 562 -2.125 13.982 -2.327 1.00 2.27 H new ATOM 0 HE1 PHE A 562 -6.302 13.814 0.365 1.00 1.49 H new ATOM 0 HE2 PHE A 562 -3.354 16.077 -1.804 1.00 2.55 H new ATOM 0 HZ PHE A 562 -5.465 15.990 -0.498 1.00 1.58 H new ATOM 465 N GLU A 563 -5.718 10.203 -2.337 1.00 0.86 N ATOM 466 CA GLU A 563 -7.168 10.291 -2.563 1.00 0.99 C ATOM 467 C GLU A 563 -7.947 10.046 -1.255 1.00 0.83 C ATOM 468 O GLU A 563 -7.420 9.471 -0.300 1.00 0.83 O ATOM 469 CB GLU A 563 -7.541 9.283 -3.674 1.00 1.34 C ATOM 470 CG GLU A 563 -8.939 9.494 -4.274 1.00 1.93 C ATOM 471 CD GLU A 563 -9.229 8.623 -5.510 1.00 2.15 C ATOM 472 OE1 GLU A 563 -8.334 7.903 -6.018 1.00 2.59 O ATOM 473 OE2 GLU A 563 -10.401 8.603 -5.974 1.00 3.17 O ATOM 0 H GLU A 563 -5.475 9.565 -1.580 1.00 0.86 H new ATOM 0 HA GLU A 563 -7.444 11.294 -2.889 1.00 0.99 H new ATOM 0 HB2 GLU A 563 -6.802 9.350 -4.472 1.00 1.34 H new ATOM 0 HB3 GLU A 563 -7.481 8.273 -3.268 1.00 1.34 H new ATOM 0 HG2 GLU A 563 -9.687 9.282 -3.510 1.00 1.93 H new ATOM 0 HG3 GLU A 563 -9.051 10.543 -4.547 1.00 1.93 H new ATOM 480 N VAL A 564 -9.203 10.494 -1.188 1.00 0.81 N ATOM 481 CA VAL A 564 -10.081 10.312 -0.021 1.00 0.72 C ATOM 482 C VAL A 564 -11.242 9.371 -0.335 1.00 0.83 C ATOM 483 O VAL A 564 -11.745 9.342 -1.461 1.00 0.94 O ATOM 484 CB VAL A 564 -10.589 11.666 0.515 1.00 0.67 C ATOM 485 CG1 VAL A 564 -11.435 11.528 1.783 1.00 0.81 C ATOM 486 CG2 VAL A 564 -9.412 12.587 0.853 1.00 0.67 C ATOM 0 H VAL A 564 -9.649 11.001 -1.952 1.00 0.81 H new ATOM 0 HA VAL A 564 -9.486 9.847 0.765 1.00 0.72 H new ATOM 0 HB VAL A 564 -11.207 12.082 -0.281 1.00 0.67 H new ATOM 0 HG11 VAL A 564 -11.763 12.515 2.111 1.00 0.81 H new ATOM 0 HG12 VAL A 564 -12.306 10.907 1.573 1.00 0.81 H new ATOM 0 HG13 VAL A 564 -10.839 11.064 2.569 1.00 0.81 H new ATOM 0 HG21 VAL A 564 -9.790 13.537 1.230 1.00 0.67 H new ATOM 0 HG22 VAL A 564 -8.789 12.117 1.614 1.00 0.67 H new ATOM 0 HG23 VAL A 564 -8.818 12.763 -0.044 1.00 0.67 H new ATOM 496 N PHE A 565 -11.705 8.647 0.686 1.00 0.88 N ATOM 497 CA PHE A 565 -13.020 7.989 0.684 1.00 1.01 C ATOM 498 C PHE A 565 -13.896 8.541 1.819 1.00 1.08 C ATOM 499 O PHE A 565 -13.383 8.873 2.883 1.00 1.03 O ATOM 500 CB PHE A 565 -12.876 6.467 0.796 1.00 0.96 C ATOM 501 CG PHE A 565 -12.153 5.779 -0.348 1.00 0.92 C ATOM 502 CD1 PHE A 565 -10.745 5.806 -0.425 1.00 1.94 C ATOM 503 CD2 PHE A 565 -12.889 5.043 -1.297 1.00 1.82 C ATOM 504 CE1 PHE A 565 -10.079 5.082 -1.430 1.00 2.04 C ATOM 505 CE2 PHE A 565 -12.221 4.315 -2.298 1.00 1.75 C ATOM 506 CZ PHE A 565 -10.815 4.321 -2.353 1.00 1.01 C ATOM 0 H PHE A 565 -11.176 8.498 1.546 1.00 0.88 H new ATOM 0 HA PHE A 565 -13.508 8.206 -0.266 1.00 1.01 H new ATOM 0 HB2 PHE A 565 -12.348 6.239 1.722 1.00 0.96 H new ATOM 0 HB3 PHE A 565 -13.872 6.033 0.882 1.00 0.96 H new ATOM 0 HD1 PHE A 565 -10.177 6.384 0.289 1.00 1.94 H new ATOM 0 HD2 PHE A 565 -13.968 5.038 -1.256 1.00 1.82 H new ATOM 0 HE1 PHE A 565 -9.001 5.111 -1.492 1.00 2.04 H new ATOM 0 HE2 PHE A 565 -12.787 3.751 -3.025 1.00 1.75 H new ATOM 0 HZ PHE A 565 -10.302 3.740 -3.105 1.00 1.01 H new ATOM 516 N GLN A 566 -15.208 8.654 1.615 1.00 1.21 N ATOM 517 CA GLN A 566 -16.174 9.090 2.637 1.00 1.26 C ATOM 518 C GLN A 566 -16.568 7.936 3.594 1.00 1.18 C ATOM 519 O GLN A 566 -16.423 6.764 3.230 1.00 1.15 O ATOM 520 CB GLN A 566 -17.426 9.640 1.925 1.00 1.44 C ATOM 521 CG GLN A 566 -17.383 11.118 1.550 1.00 1.40 C ATOM 522 CD GLN A 566 -16.530 11.383 0.334 1.00 2.01 C ATOM 523 OE1 GLN A 566 -16.980 11.267 -0.799 1.00 3.38 O ATOM 524 NE2 GLN A 566 -15.285 11.739 0.512 1.00 1.62 N ATOM 0 H GLN A 566 -15.644 8.442 0.717 1.00 1.21 H new ATOM 0 HA GLN A 566 -15.709 9.865 3.247 1.00 1.26 H new ATOM 0 HB2 GLN A 566 -17.589 9.059 1.017 1.00 1.44 H new ATOM 0 HB3 GLN A 566 -18.289 9.473 2.569 1.00 1.44 H new ATOM 0 HG2 GLN A 566 -18.397 11.471 1.362 1.00 1.40 H new ATOM 0 HG3 GLN A 566 -16.997 11.692 2.392 1.00 1.40 H new ATOM 0 HE21 GLN A 566 -14.912 11.835 1.457 1.00 1.62 H new ATOM 0 HE22 GLN A 566 -14.686 11.921 -0.294 1.00 1.62 H new ATOM 533 N PRO A 567 -17.127 8.229 4.791 1.00 1.21 N ATOM 534 CA PRO A 567 -17.501 7.196 5.757 1.00 1.19 C ATOM 535 C PRO A 567 -18.544 6.226 5.180 1.00 1.21 C ATOM 536 O PRO A 567 -19.640 6.645 4.788 1.00 1.19 O ATOM 537 CB PRO A 567 -18.049 7.920 6.997 1.00 1.24 C ATOM 538 CG PRO A 567 -17.725 9.400 6.795 1.00 1.32 C ATOM 539 CD PRO A 567 -17.479 9.551 5.296 1.00 1.31 C ATOM 0 HA PRO A 567 -16.633 6.588 6.012 1.00 1.19 H new ATOM 0 HB2 PRO A 567 -19.123 7.765 7.097 1.00 1.24 H new ATOM 0 HB3 PRO A 567 -17.586 7.540 7.908 1.00 1.24 H new ATOM 0 HG2 PRO A 567 -18.549 10.033 7.125 1.00 1.32 H new ATOM 0 HG3 PRO A 567 -16.847 9.694 7.370 1.00 1.32 H new ATOM 0 HD2 PRO A 567 -18.369 9.932 4.795 1.00 1.31 H new ATOM 0 HD3 PRO A 567 -16.676 10.264 5.106 1.00 1.31 H new ATOM 547 N GLY A 568 -18.219 4.933 5.153 1.00 1.29 N ATOM 548 CA GLY A 568 -19.102 3.844 4.737 1.00 1.35 C ATOM 549 C GLY A 568 -18.816 3.291 3.340 1.00 1.37 C ATOM 550 O GLY A 568 -19.454 2.318 2.944 1.00 1.48 O ATOM 0 H GLY A 568 -17.295 4.603 5.432 1.00 1.29 H new ATOM 0 HA2 GLY A 568 -19.020 3.031 5.459 1.00 1.35 H new ATOM 0 HA3 GLY A 568 -20.133 4.197 4.770 1.00 1.35 H new ATOM 554 N ASP A 569 -17.855 3.853 2.604 1.00 1.31 N ATOM 555 CA ASP A 569 -17.425 3.322 1.316 1.00 1.32 C ATOM 556 C ASP A 569 -16.334 2.257 1.518 1.00 1.06 C ATOM 557 O ASP A 569 -15.414 2.424 2.326 1.00 0.86 O ATOM 558 CB ASP A 569 -16.983 4.479 0.400 1.00 1.49 C ATOM 559 CG ASP A 569 -17.105 4.206 -1.105 1.00 1.63 C ATOM 560 OD1 ASP A 569 -17.352 3.056 -1.545 1.00 2.17 O ATOM 561 OD2 ASP A 569 -17.000 5.191 -1.877 1.00 2.16 O ATOM 0 H ASP A 569 -17.353 4.694 2.889 1.00 1.31 H new ATOM 0 HA ASP A 569 -18.256 2.821 0.818 1.00 1.32 H new ATOM 0 HB2 ASP A 569 -17.577 5.360 0.642 1.00 1.49 H new ATOM 0 HB3 ASP A 569 -15.945 4.723 0.625 1.00 1.49 H new ATOM 566 N TYR A 570 -16.427 1.149 0.786 1.00 1.16 N ATOM 567 CA TYR A 570 -15.377 0.126 0.759 1.00 1.11 C ATOM 568 C TYR A 570 -14.186 0.648 -0.050 1.00 1.10 C ATOM 569 O TYR A 570 -14.328 1.004 -1.222 1.00 1.23 O ATOM 570 CB TYR A 570 -15.891 -1.219 0.233 1.00 1.39 C ATOM 571 CG TYR A 570 -16.821 -1.966 1.181 1.00 1.40 C ATOM 572 CD1 TYR A 570 -18.151 -1.536 1.358 1.00 1.77 C ATOM 573 CD2 TYR A 570 -16.361 -3.104 1.880 1.00 2.66 C ATOM 574 CE1 TYR A 570 -19.015 -2.234 2.223 1.00 1.93 C ATOM 575 CE2 TYR A 570 -17.229 -3.815 2.740 1.00 2.66 C ATOM 576 CZ TYR A 570 -18.562 -3.380 2.909 1.00 1.61 C ATOM 577 OH TYR A 570 -19.428 -4.044 3.721 1.00 1.77 O ATOM 0 H TYR A 570 -17.230 0.933 0.195 1.00 1.16 H new ATOM 0 HA TYR A 570 -15.049 -0.067 1.780 1.00 1.11 H new ATOM 0 HB2 TYR A 570 -16.415 -1.048 -0.707 1.00 1.39 H new ATOM 0 HB3 TYR A 570 -15.035 -1.856 0.010 1.00 1.39 H new ATOM 0 HD1 TYR A 570 -18.510 -0.666 0.827 1.00 1.77 H new ATOM 0 HD2 TYR A 570 -15.340 -3.433 1.757 1.00 2.66 H new ATOM 0 HE1 TYR A 570 -20.029 -1.890 2.362 1.00 1.93 H new ATOM 0 HE2 TYR A 570 -16.874 -4.689 3.266 1.00 2.66 H new ATOM 0 HH TYR A 570 -18.974 -4.813 4.125 1.00 1.77 H new ATOM 587 N ILE A 571 -13.009 0.705 0.574 1.00 0.99 N ATOM 588 CA ILE A 571 -11.807 1.299 -0.027 1.00 1.02 C ATOM 589 C ILE A 571 -11.129 0.358 -1.036 1.00 1.08 C ATOM 590 O ILE A 571 -10.399 0.818 -1.913 1.00 1.21 O ATOM 591 CB ILE A 571 -10.809 1.727 1.067 1.00 0.98 C ATOM 592 CG1 ILE A 571 -10.403 0.559 1.981 1.00 0.90 C ATOM 593 CG2 ILE A 571 -11.340 2.847 1.969 1.00 1.02 C ATOM 594 CD1 ILE A 571 -8.975 0.707 2.470 1.00 1.03 C ATOM 0 H ILE A 571 -12.858 0.340 1.514 1.00 0.99 H new ATOM 0 HA ILE A 571 -12.130 2.181 -0.579 1.00 1.02 H new ATOM 0 HB ILE A 571 -9.946 2.089 0.508 1.00 0.98 H new ATOM 0 HG12 ILE A 571 -11.078 0.512 2.835 1.00 0.90 H new ATOM 0 HG13 ILE A 571 -10.508 -0.381 1.440 1.00 0.90 H new ATOM 0 HG21 ILE A 571 -10.588 3.100 2.716 1.00 1.02 H new ATOM 0 HG22 ILE A 571 -11.561 3.727 1.365 1.00 1.02 H new ATOM 0 HG23 ILE A 571 -12.249 2.512 2.468 1.00 1.02 H new ATOM 0 HD11 ILE A 571 -8.722 -0.136 3.113 1.00 1.03 H new ATOM 0 HD12 ILE A 571 -8.298 0.728 1.616 1.00 1.03 H new ATOM 0 HD13 ILE A 571 -8.878 1.635 3.033 1.00 1.03 H new ATOM 606 N ILE A 572 -11.335 -0.958 -0.891 1.00 1.04 N ATOM 607 CA ILE A 572 -10.663 -2.032 -1.629 1.00 1.09 C ATOM 608 C ILE A 572 -11.656 -3.166 -1.935 1.00 1.45 C ATOM 609 O ILE A 572 -12.332 -3.657 -1.027 1.00 2.04 O ATOM 610 CB ILE A 572 -9.447 -2.566 -0.832 1.00 1.41 C ATOM 611 CG1 ILE A 572 -8.386 -1.458 -0.665 1.00 1.64 C ATOM 612 CG2 ILE A 572 -8.807 -3.779 -1.524 1.00 1.62 C ATOM 613 CD1 ILE A 572 -7.154 -1.846 0.156 1.00 1.49 C ATOM 0 H ILE A 572 -12.012 -1.320 -0.219 1.00 1.04 H new ATOM 0 HA ILE A 572 -10.296 -1.629 -2.573 1.00 1.09 H new ATOM 0 HB ILE A 572 -9.811 -2.878 0.147 1.00 1.41 H new ATOM 0 HG12 ILE A 572 -8.057 -1.142 -1.655 1.00 1.64 H new ATOM 0 HG13 ILE A 572 -8.858 -0.595 -0.195 1.00 1.64 H new ATOM 0 HG21 ILE A 572 -7.957 -4.127 -0.937 1.00 1.62 H new ATOM 0 HG22 ILE A 572 -9.542 -4.580 -1.608 1.00 1.62 H new ATOM 0 HG23 ILE A 572 -8.467 -3.493 -2.519 1.00 1.62 H new ATOM 0 HD11 ILE A 572 -6.472 -0.997 0.212 1.00 1.49 H new ATOM 0 HD12 ILE A 572 -7.462 -2.131 1.162 1.00 1.49 H new ATOM 0 HD13 ILE A 572 -6.649 -2.686 -0.321 1.00 1.49 H new ATOM 625 N ARG A 573 -11.672 -3.625 -3.194 1.00 1.45 N ATOM 626 CA ARG A 573 -12.301 -4.865 -3.698 1.00 1.97 C ATOM 627 C ARG A 573 -11.398 -5.511 -4.766 1.00 1.59 C ATOM 628 O ARG A 573 -10.440 -4.891 -5.226 1.00 1.58 O ATOM 629 CB ARG A 573 -13.682 -4.558 -4.320 1.00 2.73 C ATOM 630 CG ARG A 573 -14.729 -3.870 -3.426 1.00 3.63 C ATOM 631 CD ARG A 573 -15.232 -4.798 -2.316 1.00 4.99 C ATOM 632 NE ARG A 573 -16.467 -4.289 -1.687 1.00 6.19 N ATOM 633 CZ ARG A 573 -17.320 -4.992 -0.969 1.00 7.49 C ATOM 634 NH1 ARG A 573 -17.116 -6.233 -0.645 1.00 8.01 N ATOM 635 NH2 ARG A 573 -18.429 -4.458 -0.574 1.00 8.59 N ATOM 0 H ARG A 573 -11.215 -3.107 -3.944 1.00 1.45 H new ATOM 0 HA ARG A 573 -12.432 -5.550 -2.861 1.00 1.97 H new ATOM 0 HB2 ARG A 573 -13.524 -3.930 -5.196 1.00 2.73 H new ATOM 0 HB3 ARG A 573 -14.107 -5.497 -4.674 1.00 2.73 H new ATOM 0 HG2 ARG A 573 -14.294 -2.975 -2.981 1.00 3.63 H new ATOM 0 HG3 ARG A 573 -15.571 -3.546 -4.037 1.00 3.63 H new ATOM 0 HD2 ARG A 573 -15.417 -5.790 -2.729 1.00 4.99 H new ATOM 0 HD3 ARG A 573 -14.457 -4.908 -1.557 1.00 4.99 H new ATOM 0 HE ARG A 573 -16.680 -3.301 -1.821 1.00 6.19 H new ATOM 0 HH11 ARG A 573 -16.265 -6.706 -0.948 1.00 8.01 H new ATOM 0 HH12 ARG A 573 -17.807 -6.735 -0.087 1.00 8.01 H new ATOM 0 HH21 ARG A 573 -18.645 -3.491 -0.818 1.00 8.59 H new ATOM 0 HH22 ARG A 573 -19.088 -5.003 -0.018 1.00 8.59 H new ATOM 649 N GLU A 574 -11.697 -6.735 -5.195 1.00 1.92 N ATOM 650 CA GLU A 574 -11.073 -7.381 -6.365 1.00 1.68 C ATOM 651 C GLU A 574 -11.378 -6.635 -7.681 1.00 1.95 C ATOM 652 O GLU A 574 -12.416 -5.977 -7.814 1.00 2.96 O ATOM 653 CB GLU A 574 -11.553 -8.846 -6.427 1.00 3.01 C ATOM 654 CG GLU A 574 -10.742 -9.767 -7.355 1.00 3.45 C ATOM 655 CD GLU A 574 -11.553 -10.271 -8.557 1.00 4.90 C ATOM 656 OE1 GLU A 574 -11.642 -9.556 -9.579 1.00 5.44 O ATOM 657 OE2 GLU A 574 -12.023 -11.433 -8.560 1.00 6.06 O ATOM 0 H GLU A 574 -12.392 -7.323 -4.736 1.00 1.92 H new ATOM 0 HA GLU A 574 -9.990 -7.348 -6.249 1.00 1.68 H new ATOM 0 HB2 GLU A 574 -11.529 -9.261 -5.420 1.00 3.01 H new ATOM 0 HB3 GLU A 574 -12.594 -8.856 -6.752 1.00 3.01 H new ATOM 0 HG2 GLU A 574 -9.865 -9.230 -7.715 1.00 3.45 H new ATOM 0 HG3 GLU A 574 -10.380 -10.622 -6.784 1.00 3.45 H new ATOM 664 N GLY A 575 -10.493 -6.767 -8.674 1.00 1.98 N ATOM 665 CA GLY A 575 -10.708 -6.209 -10.016 1.00 3.33 C ATOM 666 C GLY A 575 -9.598 -6.461 -11.045 1.00 3.19 C ATOM 667 O GLY A 575 -9.860 -6.367 -12.245 1.00 4.26 O ATOM 0 H GLY A 575 -9.608 -7.263 -8.572 1.00 1.98 H new ATOM 0 HA2 GLY A 575 -11.639 -6.617 -10.411 1.00 3.33 H new ATOM 0 HA3 GLY A 575 -10.847 -5.132 -9.920 1.00 3.33 H new ATOM 671 N THR A 576 -8.367 -6.797 -10.630 1.00 2.07 N ATOM 672 CA THR A 576 -7.256 -7.035 -11.571 1.00 2.08 C ATOM 673 C THR A 576 -6.142 -7.875 -10.951 1.00 1.40 C ATOM 674 O THR A 576 -6.093 -8.055 -9.734 1.00 1.42 O ATOM 675 CB THR A 576 -6.698 -5.696 -12.096 1.00 2.76 C ATOM 676 OG1 THR A 576 -5.787 -5.872 -13.160 1.00 3.05 O ATOM 677 CG2 THR A 576 -6.038 -4.862 -10.998 1.00 3.23 C ATOM 0 H THR A 576 -8.113 -6.911 -9.649 1.00 2.07 H new ATOM 0 HA THR A 576 -7.659 -7.605 -12.408 1.00 2.08 H new ATOM 0 HB THR A 576 -7.567 -5.153 -12.467 1.00 2.76 H new ATOM 0 HG1 THR A 576 -5.462 -4.998 -13.460 1.00 3.05 H new ATOM 0 HG21 THR A 576 -5.663 -3.931 -11.424 1.00 3.23 H new ATOM 0 HG22 THR A 576 -6.770 -4.638 -10.222 1.00 3.23 H new ATOM 0 HG23 THR A 576 -5.209 -5.422 -10.564 1.00 3.23 H new ATOM 685 N ILE A 577 -5.248 -8.394 -11.788 1.00 1.41 N ATOM 686 CA ILE A 577 -3.971 -8.983 -11.390 1.00 1.32 C ATOM 687 C ILE A 577 -2.957 -7.873 -11.089 1.00 1.60 C ATOM 688 O ILE A 577 -2.741 -6.983 -11.915 1.00 1.96 O ATOM 689 CB ILE A 577 -3.472 -9.937 -12.498 1.00 1.51 C ATOM 690 CG1 ILE A 577 -4.283 -11.247 -12.501 1.00 1.69 C ATOM 691 CG2 ILE A 577 -1.995 -10.313 -12.302 1.00 1.74 C ATOM 692 CD1 ILE A 577 -5.580 -11.227 -13.314 1.00 2.18 C ATOM 0 H ILE A 577 -5.397 -8.417 -12.797 1.00 1.41 H new ATOM 0 HA ILE A 577 -4.098 -9.568 -10.479 1.00 1.32 H new ATOM 0 HB ILE A 577 -3.597 -9.403 -13.440 1.00 1.51 H new ATOM 0 HG12 ILE A 577 -3.648 -12.044 -12.886 1.00 1.69 H new ATOM 0 HG13 ILE A 577 -4.527 -11.503 -11.470 1.00 1.69 H new ATOM 0 HG21 ILE A 577 -1.681 -10.985 -13.101 1.00 1.74 H new ATOM 0 HG22 ILE A 577 -1.384 -9.411 -12.326 1.00 1.74 H new ATOM 0 HG23 ILE A 577 -1.871 -10.810 -11.340 1.00 1.74 H new ATOM 0 HD11 ILE A 577 -6.068 -12.199 -13.245 1.00 2.18 H new ATOM 0 HD12 ILE A 577 -6.245 -10.459 -12.919 1.00 2.18 H new ATOM 0 HD13 ILE A 577 -5.352 -11.008 -14.357 1.00 2.18 H new ATOM 704 N GLY A 578 -2.282 -7.966 -9.938 1.00 1.89 N ATOM 705 CA GLY A 578 -1.315 -6.964 -9.496 1.00 2.46 C ATOM 706 C GLY A 578 -2.017 -5.802 -8.796 1.00 2.42 C ATOM 707 O GLY A 578 -1.883 -4.648 -9.212 1.00 2.48 O ATOM 0 H GLY A 578 -2.394 -8.743 -9.287 1.00 1.89 H new ATOM 0 HA2 GLY A 578 -0.595 -7.422 -8.817 1.00 2.46 H new ATOM 0 HA3 GLY A 578 -0.753 -6.592 -10.353 1.00 2.46 H new ATOM 711 N LYS A 579 -2.821 -6.095 -7.765 1.00 2.43 N ATOM 712 CA LYS A 579 -3.577 -5.076 -7.013 1.00 2.42 C ATOM 713 C LYS A 579 -2.625 -4.167 -6.223 1.00 2.24 C ATOM 714 O LYS A 579 -1.643 -4.619 -5.636 1.00 2.49 O ATOM 715 CB LYS A 579 -4.658 -5.722 -6.122 1.00 2.72 C ATOM 716 CG LYS A 579 -5.942 -6.076 -6.887 1.00 3.14 C ATOM 717 CD LYS A 579 -6.840 -4.878 -7.233 1.00 2.29 C ATOM 718 CE LYS A 579 -7.569 -4.319 -6.006 1.00 3.60 C ATOM 719 NZ LYS A 579 -8.454 -3.194 -6.380 1.00 3.99 N ATOM 0 H LYS A 579 -2.968 -7.046 -7.426 1.00 2.43 H new ATOM 0 HA LYS A 579 -4.106 -4.443 -7.726 1.00 2.42 H new ATOM 0 HB2 LYS A 579 -4.252 -6.626 -5.668 1.00 2.72 H new ATOM 0 HB3 LYS A 579 -4.904 -5.040 -5.308 1.00 2.72 H new ATOM 0 HG2 LYS A 579 -5.668 -6.585 -7.811 1.00 3.14 H new ATOM 0 HG3 LYS A 579 -6.519 -6.784 -6.292 1.00 3.14 H new ATOM 0 HD2 LYS A 579 -6.234 -4.091 -7.682 1.00 2.29 H new ATOM 0 HD3 LYS A 579 -7.573 -5.181 -7.981 1.00 2.29 H new ATOM 0 HE2 LYS A 579 -8.157 -5.108 -5.537 1.00 3.60 H new ATOM 0 HE3 LYS A 579 -6.841 -3.983 -5.268 1.00 3.60 H new ATOM 0 HZ1 LYS A 579 -8.150 -2.333 -5.882 1.00 3.99 H new ATOM 0 HZ2 LYS A 579 -8.401 -3.037 -7.407 1.00 3.99 H new ATOM 0 HZ3 LYS A 579 -9.434 -3.420 -6.115 1.00 3.99 H new ATOM 733 N LYS A 580 -2.930 -2.869 -6.213 1.00 1.89 N ATOM 734 CA LYS A 580 -1.981 -1.827 -5.803 1.00 1.58 C ATOM 735 C LYS A 580 -1.930 -1.609 -4.289 1.00 1.49 C ATOM 736 O LYS A 580 -2.759 -2.122 -3.537 1.00 1.75 O ATOM 737 CB LYS A 580 -2.268 -0.542 -6.594 1.00 1.48 C ATOM 738 CG LYS A 580 -3.604 0.145 -6.284 1.00 2.40 C ATOM 739 CD LYS A 580 -3.708 1.390 -7.169 1.00 2.55 C ATOM 740 CE LYS A 580 -5.039 2.130 -6.994 1.00 3.48 C ATOM 741 NZ LYS A 580 -5.240 3.130 -8.067 1.00 3.63 N ATOM 0 H LYS A 580 -3.843 -2.507 -6.489 1.00 1.89 H new ATOM 0 HA LYS A 580 -0.974 -2.166 -6.048 1.00 1.58 H new ATOM 0 HB2 LYS A 580 -1.463 0.168 -6.404 1.00 1.48 H new ATOM 0 HB3 LYS A 580 -2.240 -0.778 -7.658 1.00 1.48 H new ATOM 0 HG2 LYS A 580 -4.436 -0.532 -6.479 1.00 2.40 H new ATOM 0 HG3 LYS A 580 -3.657 0.420 -5.231 1.00 2.40 H new ATOM 0 HD2 LYS A 580 -2.887 2.067 -6.934 1.00 2.55 H new ATOM 0 HD3 LYS A 580 -3.593 1.099 -8.213 1.00 2.55 H new ATOM 0 HE2 LYS A 580 -5.860 1.414 -7.002 1.00 3.48 H new ATOM 0 HE3 LYS A 580 -5.058 2.625 -6.023 1.00 3.48 H new ATOM 0 HZ1 LYS A 580 -6.148 3.615 -7.923 1.00 3.63 H new ATOM 0 HZ2 LYS A 580 -4.468 3.826 -8.042 1.00 3.63 H new ATOM 0 HZ3 LYS A 580 -5.245 2.652 -8.991 1.00 3.63 H new ATOM 755 N MET A 581 -0.923 -0.855 -3.857 1.00 1.23 N ATOM 756 CA MET A 581 -0.620 -0.593 -2.450 1.00 1.28 C ATOM 757 C MET A 581 -1.403 0.634 -1.974 1.00 1.13 C ATOM 758 O MET A 581 -1.413 1.662 -2.654 1.00 0.99 O ATOM 759 CB MET A 581 0.902 -0.395 -2.314 1.00 1.29 C ATOM 760 CG MET A 581 1.378 -0.104 -0.888 1.00 1.78 C ATOM 761 SD MET A 581 1.316 -1.476 0.283 1.00 1.99 S ATOM 762 CE MET A 581 1.754 -0.515 1.761 1.00 1.66 C ATOM 0 H MET A 581 -0.274 -0.394 -4.495 1.00 1.23 H new ATOM 0 HA MET A 581 -0.921 -1.431 -1.822 1.00 1.28 H new ATOM 0 HB2 MET A 581 1.406 -1.291 -2.676 1.00 1.29 H new ATOM 0 HB3 MET A 581 1.208 0.427 -2.961 1.00 1.29 H new ATOM 0 HG2 MET A 581 2.406 0.254 -0.939 1.00 1.78 H new ATOM 0 HG3 MET A 581 0.776 0.712 -0.488 1.00 1.78 H new ATOM 0 HE1 MET A 581 1.847 -1.185 2.616 1.00 1.66 H new ATOM 0 HE2 MET A 581 2.703 -0.005 1.595 1.00 1.66 H new ATOM 0 HE3 MET A 581 0.976 0.222 1.960 1.00 1.66 H new ATOM 772 N TYR A 582 -2.013 0.536 -0.793 1.00 1.18 N ATOM 773 CA TYR A 582 -2.731 1.617 -0.116 1.00 1.09 C ATOM 774 C TYR A 582 -2.225 1.759 1.325 1.00 1.15 C ATOM 775 O TYR A 582 -1.961 0.770 2.010 1.00 1.30 O ATOM 776 CB TYR A 582 -4.243 1.351 -0.108 1.00 1.17 C ATOM 777 CG TYR A 582 -4.950 1.363 -1.450 1.00 1.27 C ATOM 778 CD1 TYR A 582 -5.019 0.190 -2.230 1.00 2.10 C ATOM 779 CD2 TYR A 582 -5.618 2.528 -1.876 1.00 2.33 C ATOM 780 CE1 TYR A 582 -5.772 0.174 -3.421 1.00 2.29 C ATOM 781 CE2 TYR A 582 -6.377 2.514 -3.061 1.00 2.60 C ATOM 782 CZ TYR A 582 -6.463 1.335 -3.829 1.00 1.94 C ATOM 783 OH TYR A 582 -7.212 1.334 -4.961 1.00 2.40 O ATOM 0 H TYR A 582 -2.021 -0.334 -0.260 1.00 1.18 H new ATOM 0 HA TYR A 582 -2.545 2.543 -0.661 1.00 1.09 H new ATOM 0 HB2 TYR A 582 -4.414 0.380 0.357 1.00 1.17 H new ATOM 0 HB3 TYR A 582 -4.715 2.097 0.531 1.00 1.17 H new ATOM 0 HD1 TYR A 582 -4.493 -0.699 -1.914 1.00 2.10 H new ATOM 0 HD2 TYR A 582 -5.547 3.434 -1.292 1.00 2.33 H new ATOM 0 HE1 TYR A 582 -5.820 -0.724 -4.020 1.00 2.29 H new ATOM 0 HE2 TYR A 582 -6.894 3.406 -3.382 1.00 2.60 H new ATOM 0 HH TYR A 582 -7.617 2.218 -5.086 1.00 2.40 H new ATOM 793 N PHE A 583 -2.123 2.988 1.827 1.00 1.08 N ATOM 794 CA PHE A 583 -1.777 3.222 3.231 1.00 1.11 C ATOM 795 C PHE A 583 -2.464 4.472 3.774 1.00 0.99 C ATOM 796 O PHE A 583 -2.876 5.353 3.015 1.00 0.97 O ATOM 797 CB PHE A 583 -0.251 3.108 3.467 1.00 1.25 C ATOM 798 CG PHE A 583 0.708 4.266 3.214 1.00 1.67 C ATOM 799 CD1 PHE A 583 0.497 5.565 3.725 1.00 3.09 C ATOM 800 CD2 PHE A 583 1.934 3.975 2.584 1.00 2.16 C ATOM 801 CE1 PHE A 583 1.468 6.568 3.548 1.00 3.60 C ATOM 802 CE2 PHE A 583 2.919 4.969 2.442 1.00 2.55 C ATOM 803 CZ PHE A 583 2.681 6.272 2.903 1.00 2.83 C ATOM 0 H PHE A 583 -2.275 3.838 1.284 1.00 1.08 H new ATOM 0 HA PHE A 583 -2.186 2.421 3.847 1.00 1.11 H new ATOM 0 HB2 PHE A 583 -0.118 2.815 4.509 1.00 1.25 H new ATOM 0 HB3 PHE A 583 0.097 2.276 2.855 1.00 1.25 H new ATOM 0 HD1 PHE A 583 -0.416 5.791 4.256 1.00 3.09 H new ATOM 0 HD2 PHE A 583 2.119 2.980 2.207 1.00 2.16 H new ATOM 0 HE1 PHE A 583 1.280 7.568 3.909 1.00 3.60 H new ATOM 0 HE2 PHE A 583 3.863 4.728 1.976 1.00 2.55 H new ATOM 0 HZ PHE A 583 3.425 7.043 2.763 1.00 2.83 H new ATOM 813 N ILE A 584 -2.653 4.510 5.092 1.00 0.96 N ATOM 814 CA ILE A 584 -3.626 5.409 5.726 1.00 0.84 C ATOM 815 C ILE A 584 -2.930 6.689 6.213 1.00 0.97 C ATOM 816 O ILE A 584 -2.277 6.675 7.256 1.00 1.19 O ATOM 817 CB ILE A 584 -4.415 4.649 6.827 1.00 0.79 C ATOM 818 CG1 ILE A 584 -4.912 3.277 6.307 1.00 0.72 C ATOM 819 CG2 ILE A 584 -5.614 5.522 7.251 1.00 0.72 C ATOM 820 CD1 ILE A 584 -5.738 2.479 7.312 1.00 0.68 C ATOM 0 H ILE A 584 -2.141 3.923 5.751 1.00 0.96 H new ATOM 0 HA ILE A 584 -4.369 5.737 4.999 1.00 0.84 H new ATOM 0 HB ILE A 584 -3.762 4.461 7.679 1.00 0.79 H new ATOM 0 HG12 ILE A 584 -5.511 3.438 5.411 1.00 0.72 H new ATOM 0 HG13 ILE A 584 -4.049 2.681 6.011 1.00 0.72 H new ATOM 0 HG21 ILE A 584 -6.183 5.007 8.025 1.00 0.72 H new ATOM 0 HG22 ILE A 584 -5.252 6.474 7.640 1.00 0.72 H new ATOM 0 HG23 ILE A 584 -6.255 5.703 6.388 1.00 0.72 H new ATOM 0 HD11 ILE A 584 -6.043 1.534 6.863 1.00 0.68 H new ATOM 0 HD12 ILE A 584 -5.138 2.282 8.201 1.00 0.68 H new ATOM 0 HD13 ILE A 584 -6.623 3.051 7.591 1.00 0.68 H new ATOM 832 N GLN A 585 -3.054 7.795 5.463 1.00 0.89 N ATOM 833 CA GLN A 585 -2.398 9.074 5.778 1.00 1.00 C ATOM 834 C GLN A 585 -3.077 9.786 6.962 1.00 1.08 C ATOM 835 O GLN A 585 -2.393 10.193 7.902 1.00 1.23 O ATOM 836 CB GLN A 585 -2.337 9.923 4.491 1.00 1.00 C ATOM 837 CG GLN A 585 -1.573 11.254 4.609 1.00 1.41 C ATOM 838 CD GLN A 585 -2.472 12.444 4.941 1.00 1.87 C ATOM 839 OE1 GLN A 585 -3.259 12.908 4.124 1.00 2.99 O ATOM 840 NE2 GLN A 585 -2.392 12.989 6.131 1.00 1.92 N ATOM 0 H GLN A 585 -3.617 7.827 4.613 1.00 0.89 H new ATOM 0 HA GLN A 585 -1.376 8.901 6.115 1.00 1.00 H new ATOM 0 HB2 GLN A 585 -1.873 9.327 3.705 1.00 1.00 H new ATOM 0 HB3 GLN A 585 -3.356 10.137 4.169 1.00 1.00 H new ATOM 0 HG2 GLN A 585 -0.810 11.159 5.381 1.00 1.41 H new ATOM 0 HG3 GLN A 585 -1.054 11.451 3.671 1.00 1.41 H new ATOM 0 HE21 GLN A 585 -1.742 12.614 6.821 1.00 1.92 H new ATOM 0 HE22 GLN A 585 -2.980 13.788 6.366 1.00 1.92 H new ATOM 849 N HIS A 586 -4.412 9.870 6.960 1.00 1.00 N ATOM 850 CA HIS A 586 -5.216 10.223 8.137 1.00 1.00 C ATOM 851 C HIS A 586 -6.615 9.584 8.069 1.00 0.87 C ATOM 852 O HIS A 586 -7.318 9.752 7.073 1.00 0.83 O ATOM 853 CB HIS A 586 -5.315 11.748 8.304 1.00 1.10 C ATOM 854 CG HIS A 586 -5.594 12.118 9.738 1.00 1.34 C ATOM 855 ND1 HIS A 586 -6.825 12.249 10.339 1.00 2.66 N ATOM 856 CD2 HIS A 586 -4.652 12.256 10.721 1.00 1.79 C ATOM 857 CE1 HIS A 586 -6.626 12.451 11.651 1.00 2.64 C ATOM 858 NE2 HIS A 586 -5.311 12.464 11.942 1.00 2.08 N ATOM 0 H HIS A 586 -4.974 9.692 6.128 1.00 1.00 H new ATOM 0 HA HIS A 586 -4.709 9.822 9.015 1.00 1.00 H new ATOM 0 HB2 HIS A 586 -4.385 12.214 7.979 1.00 1.10 H new ATOM 0 HB3 HIS A 586 -6.107 12.137 7.664 1.00 1.10 H new ATOM 0 HD2 HIS A 586 -3.582 12.212 10.581 1.00 1.79 H new ATOM 0 HE1 HIS A 586 -7.415 12.585 12.376 1.00 2.64 H new ATOM 0 HE2 HIS A 586 -4.884 12.597 12.858 1.00 2.08 H new ATOM 866 N GLY A 587 -7.053 8.846 9.090 1.00 0.92 N ATOM 867 CA GLY A 587 -8.374 8.231 9.115 1.00 0.90 C ATOM 868 C GLY A 587 -8.402 6.982 9.988 1.00 0.81 C ATOM 869 O GLY A 587 -7.380 6.532 10.506 1.00 0.88 O ATOM 0 H GLY A 587 -6.497 8.659 9.924 1.00 0.92 H new ATOM 0 HA2 GLY A 587 -9.103 8.951 9.487 1.00 0.90 H new ATOM 0 HA3 GLY A 587 -8.673 7.971 8.100 1.00 0.90 H new ATOM 873 N VAL A 588 -9.591 6.396 10.082 1.00 0.76 N ATOM 874 CA VAL A 588 -9.842 5.094 10.700 1.00 0.75 C ATOM 875 C VAL A 588 -10.613 4.229 9.694 1.00 0.63 C ATOM 876 O VAL A 588 -11.400 4.748 8.894 1.00 0.62 O ATOM 877 CB VAL A 588 -10.597 5.260 12.043 1.00 0.89 C ATOM 878 CG1 VAL A 588 -10.980 3.933 12.712 1.00 0.99 C ATOM 879 CG2 VAL A 588 -9.752 6.044 13.057 1.00 0.94 C ATOM 0 H VAL A 588 -10.439 6.829 9.717 1.00 0.76 H new ATOM 0 HA VAL A 588 -8.903 4.597 10.943 1.00 0.75 H new ATOM 0 HB VAL A 588 -11.509 5.794 11.777 1.00 0.89 H new ATOM 0 HG11 VAL A 588 -11.505 4.134 13.646 1.00 0.99 H new ATOM 0 HG12 VAL A 588 -11.629 3.364 12.047 1.00 0.99 H new ATOM 0 HG13 VAL A 588 -10.078 3.357 12.919 1.00 0.99 H new ATOM 0 HG21 VAL A 588 -10.306 6.146 13.990 1.00 0.94 H new ATOM 0 HG22 VAL A 588 -8.820 5.510 13.244 1.00 0.94 H new ATOM 0 HG23 VAL A 588 -9.529 7.033 12.657 1.00 0.94 H new ATOM 889 N VAL A 589 -10.398 2.914 9.717 1.00 0.61 N ATOM 890 CA VAL A 589 -11.070 1.934 8.842 1.00 0.56 C ATOM 891 C VAL A 589 -11.554 0.718 9.633 1.00 0.59 C ATOM 892 O VAL A 589 -10.900 0.302 10.591 1.00 0.66 O ATOM 893 CB VAL A 589 -10.165 1.485 7.672 1.00 0.61 C ATOM 894 CG1 VAL A 589 -9.779 2.659 6.762 1.00 0.64 C ATOM 895 CG2 VAL A 589 -8.879 0.789 8.134 1.00 0.71 C ATOM 0 H VAL A 589 -9.735 2.482 10.360 1.00 0.61 H new ATOM 0 HA VAL A 589 -11.938 2.439 8.419 1.00 0.56 H new ATOM 0 HB VAL A 589 -10.768 0.767 7.116 1.00 0.61 H new ATOM 0 HG11 VAL A 589 -9.143 2.299 5.953 1.00 0.64 H new ATOM 0 HG12 VAL A 589 -10.680 3.106 6.343 1.00 0.64 H new ATOM 0 HG13 VAL A 589 -9.239 3.407 7.342 1.00 0.64 H new ATOM 0 HG21 VAL A 589 -8.289 0.499 7.264 1.00 0.71 H new ATOM 0 HG22 VAL A 589 -8.299 1.472 8.755 1.00 0.71 H new ATOM 0 HG23 VAL A 589 -9.134 -0.099 8.712 1.00 0.71 H new ATOM 905 N SER A 590 -12.664 0.117 9.201 1.00 0.61 N ATOM 906 CA SER A 590 -13.036 -1.255 9.610 1.00 0.82 C ATOM 907 C SER A 590 -12.705 -2.298 8.530 1.00 1.01 C ATOM 908 O SER A 590 -13.222 -2.248 7.410 1.00 0.95 O ATOM 909 CB SER A 590 -14.511 -1.387 9.991 1.00 1.02 C ATOM 910 OG SER A 590 -14.835 -0.628 11.129 1.00 1.10 O ATOM 0 H SER A 590 -13.330 0.555 8.564 1.00 0.61 H new ATOM 0 HA SER A 590 -12.432 -1.453 10.496 1.00 0.82 H new ATOM 0 HB2 SER A 590 -15.131 -1.066 9.154 1.00 1.02 H new ATOM 0 HB3 SER A 590 -14.744 -2.435 10.177 1.00 1.02 H new ATOM 0 HG SER A 590 -15.275 0.203 10.853 1.00 1.10 H new ATOM 916 N VAL A 591 -11.870 -3.274 8.888 1.00 1.24 N ATOM 917 CA VAL A 591 -11.435 -4.424 8.073 1.00 1.06 C ATOM 918 C VAL A 591 -12.324 -5.640 8.351 1.00 0.81 C ATOM 919 O VAL A 591 -12.639 -5.905 9.511 1.00 0.82 O ATOM 920 CB VAL A 591 -9.969 -4.798 8.401 1.00 1.35 C ATOM 921 CG1 VAL A 591 -9.376 -5.789 7.393 1.00 2.90 C ATOM 922 CG2 VAL A 591 -9.021 -3.595 8.474 1.00 1.42 C ATOM 0 H VAL A 591 -11.448 -3.289 9.816 1.00 1.24 H new ATOM 0 HA VAL A 591 -11.515 -4.140 7.024 1.00 1.06 H new ATOM 0 HB VAL A 591 -10.039 -5.254 9.388 1.00 1.35 H new ATOM 0 HG11 VAL A 591 -8.347 -6.017 7.670 1.00 2.90 H new ATOM 0 HG12 VAL A 591 -9.965 -6.706 7.395 1.00 2.90 H new ATOM 0 HG13 VAL A 591 -9.394 -5.349 6.396 1.00 2.90 H new ATOM 0 HG21 VAL A 591 -8.014 -3.939 8.708 1.00 1.42 H new ATOM 0 HG22 VAL A 591 -9.014 -3.078 7.514 1.00 1.42 H new ATOM 0 HG23 VAL A 591 -9.360 -2.911 9.252 1.00 1.42 H new ATOM 932 N LEU A 592 -12.664 -6.410 7.315 1.00 0.81 N ATOM 933 CA LEU A 592 -13.142 -7.798 7.420 1.00 1.04 C ATOM 934 C LEU A 592 -12.075 -8.734 6.826 1.00 1.25 C ATOM 935 O LEU A 592 -11.354 -8.341 5.906 1.00 1.18 O ATOM 936 CB LEU A 592 -14.492 -7.997 6.693 1.00 1.27 C ATOM 937 CG LEU A 592 -15.742 -7.241 7.188 1.00 1.43 C ATOM 938 CD1 LEU A 592 -15.989 -7.468 8.678 1.00 1.59 C ATOM 939 CD2 LEU A 592 -15.733 -5.735 6.908 1.00 1.63 C ATOM 0 H LEU A 592 -12.614 -6.080 6.351 1.00 0.81 H new ATOM 0 HA LEU A 592 -13.307 -8.032 8.472 1.00 1.04 H new ATOM 0 HB2 LEU A 592 -14.342 -7.729 5.647 1.00 1.27 H new ATOM 0 HB3 LEU A 592 -14.723 -9.062 6.720 1.00 1.27 H new ATOM 0 HG LEU A 592 -16.555 -7.669 6.602 1.00 1.43 H new ATOM 0 HD11 LEU A 592 -16.878 -6.919 8.987 1.00 1.59 H new ATOM 0 HD12 LEU A 592 -16.137 -8.532 8.864 1.00 1.59 H new ATOM 0 HD13 LEU A 592 -15.129 -7.116 9.247 1.00 1.59 H new ATOM 0 HD21 LEU A 592 -16.650 -5.288 7.291 1.00 1.63 H new ATOM 0 HD22 LEU A 592 -14.874 -5.279 7.400 1.00 1.63 H new ATOM 0 HD23 LEU A 592 -15.668 -5.565 5.833 1.00 1.63 H new ATOM 951 N THR A 593 -11.958 -9.964 7.325 1.00 1.73 N ATOM 952 CA THR A 593 -10.879 -10.908 6.972 1.00 1.86 C ATOM 953 C THR A 593 -11.433 -12.158 6.275 1.00 2.10 C ATOM 954 O THR A 593 -12.651 -12.358 6.261 1.00 2.51 O ATOM 955 CB THR A 593 -10.002 -11.208 8.212 1.00 2.10 C ATOM 956 OG1 THR A 593 -10.637 -10.849 9.427 1.00 2.18 O ATOM 957 CG2 THR A 593 -8.704 -10.410 8.141 1.00 2.14 C ATOM 0 H THR A 593 -12.620 -10.347 8.000 1.00 1.73 H new ATOM 0 HA THR A 593 -10.220 -10.445 6.237 1.00 1.86 H new ATOM 0 HB THR A 593 -9.821 -12.283 8.201 1.00 2.10 H new ATOM 0 HG1 THR A 593 -10.046 -11.059 10.180 1.00 2.18 H new ATOM 0 HG21 THR A 593 -8.094 -10.628 9.018 1.00 2.14 H new ATOM 0 HG22 THR A 593 -8.156 -10.686 7.240 1.00 2.14 H new ATOM 0 HG23 THR A 593 -8.933 -9.345 8.114 1.00 2.14 H new ATOM 965 N LYS A 594 -10.585 -12.959 5.608 1.00 2.29 N ATOM 966 CA LYS A 594 -10.948 -14.199 4.875 1.00 2.63 C ATOM 967 C LYS A 594 -11.668 -15.272 5.727 1.00 2.80 C ATOM 968 O LYS A 594 -11.075 -16.235 6.217 1.00 3.48 O ATOM 969 CB LYS A 594 -9.738 -14.701 4.059 1.00 3.15 C ATOM 970 CG LYS A 594 -8.610 -15.442 4.791 1.00 3.58 C ATOM 971 CD LYS A 594 -8.130 -14.834 6.124 1.00 4.17 C ATOM 972 CE LYS A 594 -7.017 -15.658 6.779 1.00 5.12 C ATOM 973 NZ LYS A 594 -7.467 -17.017 7.162 1.00 6.39 N ATOM 0 H LYS A 594 -9.586 -12.758 5.558 1.00 2.29 H new ATOM 0 HA LYS A 594 -11.730 -13.944 4.160 1.00 2.63 H new ATOM 0 HB2 LYS A 594 -10.117 -15.363 3.280 1.00 3.15 H new ATOM 0 HB3 LYS A 594 -9.297 -13.839 3.559 1.00 3.15 H new ATOM 0 HG2 LYS A 594 -8.942 -16.462 4.983 1.00 3.58 H new ATOM 0 HG3 LYS A 594 -7.754 -15.507 4.119 1.00 3.58 H new ATOM 0 HD2 LYS A 594 -7.771 -13.820 5.948 1.00 4.17 H new ATOM 0 HD3 LYS A 594 -8.974 -14.759 6.810 1.00 4.17 H new ATOM 0 HE2 LYS A 594 -6.176 -15.738 6.091 1.00 5.12 H new ATOM 0 HE3 LYS A 594 -6.656 -15.135 7.665 1.00 5.12 H new ATOM 0 HZ1 LYS A 594 -6.731 -17.478 7.734 1.00 6.39 H new ATOM 0 HZ2 LYS A 594 -8.344 -16.949 7.716 1.00 6.39 H new ATOM 0 HZ3 LYS A 594 -7.642 -17.579 6.305 1.00 6.39 H new ATOM 987 N GLY A 595 -12.976 -15.097 5.906 1.00 3.17 N ATOM 988 CA GLY A 595 -13.810 -15.855 6.840 1.00 3.77 C ATOM 989 C GLY A 595 -13.979 -15.217 8.230 1.00 3.55 C ATOM 990 O GLY A 595 -14.392 -15.927 9.152 1.00 3.80 O ATOM 0 H GLY A 595 -13.505 -14.397 5.385 1.00 3.17 H new ATOM 0 HA2 GLY A 595 -14.797 -15.988 6.396 1.00 3.77 H new ATOM 0 HA3 GLY A 595 -13.379 -16.849 6.963 1.00 3.77 H new ATOM 994 N ASN A 596 -13.642 -13.934 8.426 1.00 3.13 N ATOM 995 CA ASN A 596 -13.601 -13.284 9.735 1.00 3.15 C ATOM 996 C ASN A 596 -14.127 -11.829 9.811 1.00 2.96 C ATOM 997 O ASN A 596 -14.336 -11.129 8.818 1.00 3.48 O ATOM 998 CB ASN A 596 -12.224 -13.436 10.424 1.00 2.93 C ATOM 999 CG ASN A 596 -10.996 -13.982 9.696 1.00 3.16 C ATOM 1000 OD1 ASN A 596 -10.968 -14.423 8.560 1.00 3.69 O ATOM 1001 ND2 ASN A 596 -9.895 -14.008 10.395 1.00 3.21 N ATOM 0 H ASN A 596 -13.386 -13.310 7.661 1.00 3.13 H new ATOM 0 HA ASN A 596 -14.342 -13.846 10.304 1.00 3.15 H new ATOM 0 HB2 ASN A 596 -11.952 -12.449 10.797 1.00 2.93 H new ATOM 0 HB3 ASN A 596 -12.380 -14.074 11.294 1.00 2.93 H new ATOM 0 HD21 ASN A 596 -9.041 -14.390 9.988 1.00 3.21 H new ATOM 0 HD22 ASN A 596 -9.888 -13.646 11.349 1.00 3.21 H new ATOM 1008 N LYS A 597 -14.386 -11.435 11.067 1.00 2.83 N ATOM 1009 CA LYS A 597 -15.095 -10.239 11.557 1.00 2.77 C ATOM 1010 C LYS A 597 -14.232 -9.141 12.147 1.00 1.85 C ATOM 1011 O LYS A 597 -13.018 -9.282 12.290 1.00 2.02 O ATOM 1012 CB LYS A 597 -16.199 -10.642 12.530 1.00 4.00 C ATOM 1013 CG LYS A 597 -15.781 -11.170 13.923 1.00 3.89 C ATOM 1014 CD LYS A 597 -14.747 -12.309 13.995 1.00 3.74 C ATOM 1015 CE LYS A 597 -15.143 -13.584 13.235 1.00 4.72 C ATOM 1016 NZ LYS A 597 -16.231 -14.327 13.910 1.00 6.34 N ATOM 0 H LYS A 597 -14.070 -12.007 11.850 1.00 2.83 H new ATOM 0 HA LYS A 597 -15.517 -9.785 10.660 1.00 2.77 H new ATOM 0 HB2 LYS A 597 -16.844 -9.776 12.681 1.00 4.00 H new ATOM 0 HB3 LYS A 597 -16.804 -11.411 12.049 1.00 4.00 H new ATOM 0 HG2 LYS A 597 -15.388 -10.328 14.493 1.00 3.89 H new ATOM 0 HG3 LYS A 597 -16.683 -11.507 14.434 1.00 3.89 H new ATOM 0 HD2 LYS A 597 -13.799 -11.946 13.599 1.00 3.74 H new ATOM 0 HD3 LYS A 597 -14.579 -12.563 15.042 1.00 3.74 H new ATOM 0 HE2 LYS A 597 -15.459 -13.319 12.226 1.00 4.72 H new ATOM 0 HE3 LYS A 597 -14.271 -14.231 13.137 1.00 4.72 H new ATOM 0 HZ1 LYS A 597 -16.463 -15.179 13.360 1.00 6.34 H new ATOM 0 HZ2 LYS A 597 -15.922 -14.604 14.864 1.00 6.34 H new ATOM 0 HZ3 LYS A 597 -17.073 -13.721 13.981 1.00 6.34 H new ATOM 1030 N GLU A 598 -14.892 -8.028 12.467 1.00 1.81 N ATOM 1031 CA GLU A 598 -14.277 -6.761 12.130 1.00 1.41 C ATOM 1032 C GLU A 598 -13.071 -6.331 12.990 1.00 1.17 C ATOM 1033 O GLU A 598 -13.052 -6.536 14.210 1.00 1.30 O ATOM 1034 CB GLU A 598 -15.310 -5.625 12.007 1.00 1.99 C ATOM 1035 CG GLU A 598 -16.035 -5.261 13.316 1.00 2.57 C ATOM 1036 CD GLU A 598 -16.809 -3.940 13.198 1.00 3.53 C ATOM 1037 OE1 GLU A 598 -17.482 -3.712 12.163 1.00 3.94 O ATOM 1038 OE2 GLU A 598 -16.754 -3.113 14.143 1.00 4.56 O ATOM 0 H GLU A 598 -15.799 -7.981 12.932 1.00 1.81 H new ATOM 0 HA GLU A 598 -13.844 -6.956 11.149 1.00 1.41 H new ATOM 0 HB2 GLU A 598 -14.806 -4.735 11.629 1.00 1.99 H new ATOM 0 HB3 GLU A 598 -16.055 -5.910 11.264 1.00 1.99 H new ATOM 0 HG2 GLU A 598 -16.724 -6.062 13.583 1.00 2.57 H new ATOM 0 HG3 GLU A 598 -15.307 -5.184 14.124 1.00 2.57 H new ATOM 1045 N MET A 599 -12.103 -5.651 12.367 1.00 1.00 N ATOM 1046 CA MET A 599 -10.952 -5.007 13.022 1.00 1.01 C ATOM 1047 C MET A 599 -10.873 -3.520 12.693 1.00 1.16 C ATOM 1048 O MET A 599 -10.877 -3.139 11.525 1.00 1.73 O ATOM 1049 CB MET A 599 -9.636 -5.666 12.596 1.00 1.07 C ATOM 1050 CG MET A 599 -9.527 -7.106 13.081 1.00 1.24 C ATOM 1051 SD MET A 599 -8.025 -7.953 12.519 1.00 1.59 S ATOM 1052 CE MET A 599 -8.394 -8.166 10.753 1.00 1.53 C ATOM 0 H MET A 599 -12.096 -5.527 11.355 1.00 1.00 H new ATOM 0 HA MET A 599 -11.100 -5.130 14.095 1.00 1.01 H new ATOM 0 HB2 MET A 599 -9.556 -5.644 11.509 1.00 1.07 H new ATOM 0 HB3 MET A 599 -8.799 -5.088 12.989 1.00 1.07 H new ATOM 0 HG2 MET A 599 -9.553 -7.116 14.171 1.00 1.24 H new ATOM 0 HG3 MET A 599 -10.398 -7.663 12.736 1.00 1.24 H new ATOM 0 HE1 MET A 599 -7.622 -8.781 10.292 1.00 1.53 H new ATOM 0 HE2 MET A 599 -9.362 -8.654 10.640 1.00 1.53 H new ATOM 0 HE3 MET A 599 -8.420 -7.191 10.266 1.00 1.53 H new ATOM 1062 N LYS A 600 -10.746 -2.684 13.722 1.00 1.03 N ATOM 1063 CA LYS A 600 -10.532 -1.247 13.610 1.00 1.18 C ATOM 1064 C LYS A 600 -9.040 -0.908 13.488 1.00 1.44 C ATOM 1065 O LYS A 600 -8.273 -1.201 14.409 1.00 1.91 O ATOM 1066 CB LYS A 600 -11.192 -0.564 14.823 1.00 1.31 C ATOM 1067 CG LYS A 600 -11.995 0.662 14.393 1.00 1.20 C ATOM 1068 CD LYS A 600 -13.329 0.376 13.701 1.00 1.33 C ATOM 1069 CE LYS A 600 -14.298 -0.504 14.504 1.00 1.60 C ATOM 1070 NZ LYS A 600 -15.621 -0.579 13.842 1.00 2.36 N ATOM 0 H LYS A 600 -10.791 -3.003 14.690 1.00 1.03 H new ATOM 0 HA LYS A 600 -10.994 -0.872 12.697 1.00 1.18 H new ATOM 0 HB2 LYS A 600 -11.847 -1.272 15.331 1.00 1.31 H new ATOM 0 HB3 LYS A 600 -10.426 -0.268 15.539 1.00 1.31 H new ATOM 0 HG2 LYS A 600 -12.188 1.273 15.274 1.00 1.20 H new ATOM 0 HG3 LYS A 600 -11.379 1.259 13.720 1.00 1.20 H new ATOM 0 HD2 LYS A 600 -13.819 1.325 13.482 1.00 1.33 H new ATOM 0 HD3 LYS A 600 -13.129 -0.108 12.745 1.00 1.33 H new ATOM 0 HE2 LYS A 600 -13.883 -1.506 14.609 1.00 1.60 H new ATOM 0 HE3 LYS A 600 -14.413 -0.100 15.510 1.00 1.60 H new ATOM 0 HZ1 LYS A 600 -16.122 -1.432 14.163 1.00 2.36 H new ATOM 0 HZ2 LYS A 600 -16.180 0.264 14.086 1.00 2.36 H new ATOM 0 HZ3 LYS A 600 -15.491 -0.622 12.811 1.00 2.36 H new ATOM 1084 N LEU A 601 -8.638 -0.294 12.373 1.00 1.15 N ATOM 1085 CA LEU A 601 -7.264 0.148 12.081 1.00 1.22 C ATOM 1086 C LEU A 601 -7.205 1.676 11.901 1.00 1.07 C ATOM 1087 O LEU A 601 -8.193 2.308 11.525 1.00 0.93 O ATOM 1088 CB LEU A 601 -6.704 -0.588 10.843 1.00 1.26 C ATOM 1089 CG LEU A 601 -5.983 -1.924 11.118 1.00 1.53 C ATOM 1090 CD1 LEU A 601 -6.901 -3.006 11.690 1.00 1.66 C ATOM 1091 CD2 LEU A 601 -5.393 -2.447 9.809 1.00 1.65 C ATOM 0 H LEU A 601 -9.285 -0.080 11.614 1.00 1.15 H new ATOM 0 HA LEU A 601 -6.634 -0.108 12.933 1.00 1.22 H new ATOM 0 HB2 LEU A 601 -7.528 -0.778 10.155 1.00 1.26 H new ATOM 0 HB3 LEU A 601 -6.009 0.079 10.333 1.00 1.26 H new ATOM 0 HG LEU A 601 -5.215 -1.717 11.863 1.00 1.53 H new ATOM 0 HD11 LEU A 601 -6.328 -3.918 11.859 1.00 1.66 H new ATOM 0 HD12 LEU A 601 -7.323 -2.663 12.634 1.00 1.66 H new ATOM 0 HD13 LEU A 601 -7.707 -3.209 10.985 1.00 1.66 H new ATOM 0 HD21 LEU A 601 -4.881 -3.392 9.992 1.00 1.65 H new ATOM 0 HD22 LEU A 601 -6.193 -2.603 9.086 1.00 1.65 H new ATOM 0 HD23 LEU A 601 -4.683 -1.720 9.414 1.00 1.65 H new ATOM 1103 N SER A 602 -6.036 2.262 12.165 1.00 1.14 N ATOM 1104 CA SER A 602 -5.796 3.711 12.274 1.00 1.11 C ATOM 1105 C SER A 602 -4.790 4.237 11.242 1.00 1.06 C ATOM 1106 O SER A 602 -4.120 3.475 10.544 1.00 1.08 O ATOM 1107 CB SER A 602 -5.309 4.037 13.698 1.00 1.19 C ATOM 1108 OG SER A 602 -4.209 3.217 14.071 1.00 1.54 O ATOM 0 H SER A 602 -5.187 1.717 12.317 1.00 1.14 H new ATOM 0 HA SER A 602 -6.741 4.213 12.066 1.00 1.11 H new ATOM 0 HB2 SER A 602 -5.018 5.086 13.753 1.00 1.19 H new ATOM 0 HB3 SER A 602 -6.126 3.895 14.405 1.00 1.19 H new ATOM 0 HG SER A 602 -3.921 3.449 14.979 1.00 1.54 H new ATOM 1114 N ASP A 603 -4.628 5.557 11.167 1.00 1.10 N ATOM 1115 CA ASP A 603 -3.576 6.200 10.380 1.00 1.13 C ATOM 1116 C ASP A 603 -2.171 5.686 10.742 1.00 1.27 C ATOM 1117 O ASP A 603 -1.849 5.457 11.912 1.00 1.50 O ATOM 1118 CB ASP A 603 -3.704 7.725 10.456 1.00 1.33 C ATOM 1119 CG ASP A 603 -3.746 8.302 11.872 1.00 1.85 C ATOM 1120 OD1 ASP A 603 -4.771 8.115 12.566 1.00 2.66 O ATOM 1121 OD2 ASP A 603 -2.799 9.015 12.281 1.00 2.14 O ATOM 0 H ASP A 603 -5.231 6.218 11.657 1.00 1.10 H new ATOM 0 HA ASP A 603 -3.716 5.919 9.336 1.00 1.13 H new ATOM 0 HB2 ASP A 603 -2.865 8.172 9.923 1.00 1.33 H new ATOM 0 HB3 ASP A 603 -4.611 8.025 9.931 1.00 1.33 H new ATOM 1126 N GLY A 604 -1.354 5.452 9.714 1.00 1.18 N ATOM 1127 CA GLY A 604 -0.082 4.726 9.797 1.00 1.32 C ATOM 1128 C GLY A 604 -0.154 3.215 9.517 1.00 1.29 C ATOM 1129 O GLY A 604 0.886 2.576 9.350 1.00 1.42 O ATOM 0 H GLY A 604 -1.565 5.772 8.769 1.00 1.18 H new ATOM 0 HA2 GLY A 604 0.617 5.174 9.091 1.00 1.32 H new ATOM 0 HA3 GLY A 604 0.334 4.872 10.794 1.00 1.32 H new ATOM 1133 N SER A 605 -1.360 2.648 9.413 1.00 1.18 N ATOM 1134 CA SER A 605 -1.598 1.277 8.939 1.00 1.14 C ATOM 1135 C SER A 605 -1.511 1.178 7.409 1.00 1.10 C ATOM 1136 O SER A 605 -1.655 2.183 6.702 1.00 1.05 O ATOM 1137 CB SER A 605 -2.976 0.814 9.401 1.00 1.03 C ATOM 1138 OG SER A 605 -3.024 0.708 10.816 1.00 1.05 O ATOM 0 H SER A 605 -2.219 3.139 9.661 1.00 1.18 H new ATOM 0 HA SER A 605 -0.822 0.637 9.359 1.00 1.14 H new ATOM 0 HB2 SER A 605 -3.735 1.518 9.059 1.00 1.03 H new ATOM 0 HB3 SER A 605 -3.210 -0.151 8.951 1.00 1.03 H new ATOM 0 HG SER A 605 -3.366 1.545 11.195 1.00 1.05 H new ATOM 1144 N TYR A 606 -1.299 -0.035 6.887 1.00 1.16 N ATOM 1145 CA TYR A 606 -1.074 -0.260 5.452 1.00 1.26 C ATOM 1146 C TYR A 606 -1.540 -1.631 4.921 1.00 1.36 C ATOM 1147 O TYR A 606 -1.476 -2.649 5.618 1.00 1.55 O ATOM 1148 CB TYR A 606 0.408 0.001 5.139 1.00 1.63 C ATOM 1149 CG TYR A 606 1.428 -0.942 5.750 1.00 1.90 C ATOM 1150 CD1 TYR A 606 1.666 -2.199 5.164 1.00 1.71 C ATOM 1151 CD2 TYR A 606 2.183 -0.535 6.869 1.00 3.48 C ATOM 1152 CE1 TYR A 606 2.636 -3.061 5.704 1.00 2.30 C ATOM 1153 CE2 TYR A 606 3.171 -1.388 7.402 1.00 4.06 C ATOM 1154 CZ TYR A 606 3.391 -2.656 6.824 1.00 3.22 C ATOM 1155 OH TYR A 606 4.306 -3.496 7.368 1.00 4.01 O ATOM 0 H TYR A 606 -1.278 -0.888 7.445 1.00 1.16 H new ATOM 0 HA TYR A 606 -1.709 0.446 4.917 1.00 1.26 H new ATOM 0 HB2 TYR A 606 0.533 -0.024 4.056 1.00 1.63 H new ATOM 0 HB3 TYR A 606 0.648 1.013 5.465 1.00 1.63 H new ATOM 0 HD1 TYR A 606 1.101 -2.503 4.295 1.00 1.71 H new ATOM 0 HD2 TYR A 606 2.004 0.431 7.318 1.00 3.48 H new ATOM 0 HE1 TYR A 606 2.803 -4.032 5.262 1.00 2.30 H new ATOM 0 HE2 TYR A 606 3.758 -1.071 8.251 1.00 4.06 H new ATOM 0 HH TYR A 606 4.738 -3.059 8.132 1.00 4.01 H new ATOM 1165 N PHE A 607 -1.999 -1.657 3.663 1.00 1.34 N ATOM 1166 CA PHE A 607 -2.527 -2.864 2.987 1.00 1.59 C ATOM 1167 C PHE A 607 -2.488 -2.811 1.438 1.00 1.63 C ATOM 1168 O PHE A 607 -2.038 -1.844 0.829 1.00 1.81 O ATOM 1169 CB PHE A 607 -3.937 -3.176 3.534 1.00 1.90 C ATOM 1170 CG PHE A 607 -4.808 -1.987 3.894 1.00 1.59 C ATOM 1171 CD1 PHE A 607 -5.112 -1.008 2.932 1.00 1.79 C ATOM 1172 CD2 PHE A 607 -5.316 -1.866 5.200 1.00 2.76 C ATOM 1173 CE1 PHE A 607 -5.913 0.095 3.275 1.00 1.81 C ATOM 1174 CE2 PHE A 607 -6.119 -0.766 5.541 1.00 2.65 C ATOM 1175 CZ PHE A 607 -6.411 0.219 4.584 1.00 1.42 C ATOM 0 H PHE A 607 -2.017 -0.827 3.070 1.00 1.34 H new ATOM 0 HA PHE A 607 -1.852 -3.686 3.226 1.00 1.59 H new ATOM 0 HB2 PHE A 607 -4.466 -3.772 2.790 1.00 1.90 H new ATOM 0 HB3 PHE A 607 -3.827 -3.798 4.422 1.00 1.90 H new ATOM 0 HD1 PHE A 607 -4.729 -1.104 1.927 1.00 1.79 H new ATOM 0 HD2 PHE A 607 -5.088 -2.619 5.940 1.00 2.76 H new ATOM 0 HE1 PHE A 607 -6.145 0.846 2.534 1.00 1.81 H new ATOM 0 HE2 PHE A 607 -6.513 -0.677 6.543 1.00 2.65 H new ATOM 0 HZ PHE A 607 -7.018 1.071 4.853 1.00 1.42 H new ATOM 1185 N GLY A 608 -2.936 -3.886 0.785 1.00 1.91 N ATOM 1186 CA GLY A 608 -2.761 -4.128 -0.659 1.00 2.32 C ATOM 1187 C GLY A 608 -3.043 -5.583 -1.070 1.00 1.93 C ATOM 1188 O GLY A 608 -3.970 -6.204 -0.549 1.00 2.66 O ATOM 0 H GLY A 608 -3.445 -4.635 1.254 1.00 1.91 H new ATOM 0 HA2 GLY A 608 -3.425 -3.466 -1.215 1.00 2.32 H new ATOM 0 HA3 GLY A 608 -1.741 -3.869 -0.943 1.00 2.32 H new ATOM 1192 N GLU A 609 -2.251 -6.143 -1.993 1.00 2.42 N ATOM 1193 CA GLU A 609 -2.320 -7.568 -2.376 1.00 2.63 C ATOM 1194 C GLU A 609 -1.637 -8.488 -1.325 1.00 1.93 C ATOM 1195 O GLU A 609 -1.383 -8.085 -0.187 1.00 2.58 O ATOM 1196 CB GLU A 609 -1.744 -7.750 -3.802 1.00 4.14 C ATOM 1197 CG GLU A 609 -2.424 -8.870 -4.606 1.00 5.08 C ATOM 1198 CD GLU A 609 -1.617 -9.269 -5.849 1.00 6.67 C ATOM 1199 OE1 GLU A 609 -0.785 -10.199 -5.706 1.00 7.10 O ATOM 1200 OE2 GLU A 609 -1.862 -8.731 -6.955 1.00 7.95 O ATOM 0 H GLU A 609 -1.538 -5.620 -2.501 1.00 2.42 H new ATOM 0 HA GLU A 609 -3.365 -7.879 -2.394 1.00 2.63 H new ATOM 0 HB2 GLU A 609 -1.844 -6.811 -4.347 1.00 4.14 H new ATOM 0 HB3 GLU A 609 -0.678 -7.964 -3.729 1.00 4.14 H new ATOM 0 HG2 GLU A 609 -2.558 -9.743 -3.967 1.00 5.08 H new ATOM 0 HG3 GLU A 609 -3.418 -8.543 -4.911 1.00 5.08 H new ATOM 1207 N ILE A 610 -1.330 -9.737 -1.689 1.00 2.68 N ATOM 1208 CA ILE A 610 -0.683 -10.746 -0.829 1.00 3.75 C ATOM 1209 C ILE A 610 0.742 -10.315 -0.425 1.00 3.91 C ATOM 1210 O ILE A 610 1.103 -10.386 0.754 1.00 5.05 O ATOM 1211 CB ILE A 610 -0.761 -12.107 -1.569 1.00 4.65 C ATOM 1212 CG1 ILE A 610 -2.203 -12.643 -1.457 1.00 6.00 C ATOM 1213 CG2 ILE A 610 0.266 -13.144 -1.090 1.00 5.64 C ATOM 1214 CD1 ILE A 610 -2.517 -13.865 -2.325 1.00 7.18 C ATOM 0 H ILE A 610 -1.531 -10.091 -2.624 1.00 2.68 H new ATOM 0 HA ILE A 610 -1.202 -10.849 0.124 1.00 3.75 H new ATOM 0 HB ILE A 610 -0.499 -11.931 -2.612 1.00 4.65 H new ATOM 0 HG12 ILE A 610 -2.398 -12.898 -0.415 1.00 6.00 H new ATOM 0 HG13 ILE A 610 -2.892 -11.842 -1.724 1.00 6.00 H new ATOM 0 HG21 ILE A 610 0.144 -14.066 -1.658 1.00 5.64 H new ATOM 0 HG22 ILE A 610 1.273 -12.755 -1.241 1.00 5.64 H new ATOM 0 HG23 ILE A 610 0.111 -13.347 -0.030 1.00 5.64 H new ATOM 0 HD11 ILE A 610 -3.555 -14.162 -2.173 1.00 7.18 H new ATOM 0 HD12 ILE A 610 -2.361 -13.616 -3.375 1.00 7.18 H new ATOM 0 HD13 ILE A 610 -1.859 -14.688 -2.046 1.00 7.18 H new ATOM 1226 N CYS A 611 1.532 -9.812 -1.378 1.00 3.56 N ATOM 1227 CA CYS A 611 2.784 -9.086 -1.144 1.00 4.33 C ATOM 1228 C CYS A 611 3.109 -8.172 -2.341 1.00 3.54 C ATOM 1229 O CYS A 611 2.667 -8.437 -3.456 1.00 3.19 O ATOM 1230 CB CYS A 611 3.899 -10.113 -0.878 1.00 6.04 C ATOM 1231 SG CYS A 611 5.391 -9.288 -0.265 1.00 7.38 S ATOM 0 H CYS A 611 1.309 -9.902 -2.369 1.00 3.56 H new ATOM 0 HA CYS A 611 2.691 -8.437 -0.273 1.00 4.33 H new ATOM 0 HB2 CYS A 611 3.558 -10.848 -0.149 1.00 6.04 H new ATOM 0 HB3 CYS A 611 4.128 -10.656 -1.795 1.00 6.04 H new ATOM 0 HG CYS A 611 6.317 -10.173 -0.045 1.00 7.38 H new ATOM 1237 N LEU A 612 3.946 -7.142 -2.173 1.00 3.75 N ATOM 1238 CA LEU A 612 4.489 -6.324 -3.283 1.00 3.31 C ATOM 1239 C LEU A 612 5.225 -7.189 -4.341 1.00 3.03 C ATOM 1240 O LEU A 612 5.314 -6.812 -5.510 1.00 3.08 O ATOM 1241 CB LEU A 612 5.398 -5.233 -2.656 1.00 3.19 C ATOM 1242 CG LEU A 612 5.203 -3.801 -3.199 1.00 2.51 C ATOM 1243 CD1 LEU A 612 5.844 -2.787 -2.249 1.00 3.23 C ATOM 1244 CD2 LEU A 612 5.847 -3.585 -4.567 1.00 2.04 C ATOM 0 H LEU A 612 4.274 -6.843 -1.255 1.00 3.75 H new ATOM 0 HA LEU A 612 3.678 -5.848 -3.834 1.00 3.31 H new ATOM 0 HB2 LEU A 612 5.227 -5.219 -1.580 1.00 3.19 H new ATOM 0 HB3 LEU A 612 6.438 -5.521 -2.810 1.00 3.19 H new ATOM 0 HG LEU A 612 4.125 -3.663 -3.285 1.00 2.51 H new ATOM 0 HD11 LEU A 612 5.701 -1.780 -2.641 1.00 3.23 H new ATOM 0 HD12 LEU A 612 5.378 -2.864 -1.267 1.00 3.23 H new ATOM 0 HD13 LEU A 612 6.911 -2.994 -2.162 1.00 3.23 H new ATOM 0 HD21 LEU A 612 5.674 -2.559 -4.893 1.00 2.04 H new ATOM 0 HD22 LEU A 612 6.919 -3.768 -4.497 1.00 2.04 H new ATOM 0 HD23 LEU A 612 5.408 -4.274 -5.289 1.00 2.04 H new ATOM 1256 N LEU A 613 5.682 -8.391 -3.959 1.00 2.88 N ATOM 1257 CA LEU A 613 6.293 -9.396 -4.841 1.00 2.74 C ATOM 1258 C LEU A 613 5.299 -10.213 -5.683 1.00 2.22 C ATOM 1259 O LEU A 613 5.689 -10.750 -6.724 1.00 2.29 O ATOM 1260 CB LEU A 613 7.141 -10.360 -3.988 1.00 3.20 C ATOM 1261 CG LEU A 613 8.444 -9.707 -3.506 1.00 3.09 C ATOM 1262 CD1 LEU A 613 8.324 -9.084 -2.118 1.00 3.74 C ATOM 1263 CD2 LEU A 613 9.579 -10.731 -3.450 1.00 3.63 C ATOM 0 H LEU A 613 5.634 -8.702 -2.989 1.00 2.88 H new ATOM 0 HA LEU A 613 6.897 -8.838 -5.556 1.00 2.74 H new ATOM 0 HB2 LEU A 613 6.560 -10.688 -3.126 1.00 3.20 H new ATOM 0 HB3 LEU A 613 7.376 -11.250 -4.572 1.00 3.20 H new ATOM 0 HG LEU A 613 8.656 -8.920 -4.230 1.00 3.09 H new ATOM 0 HD11 LEU A 613 9.278 -8.639 -1.835 1.00 3.74 H new ATOM 0 HD12 LEU A 613 7.554 -8.313 -2.131 1.00 3.74 H new ATOM 0 HD13 LEU A 613 8.054 -9.854 -1.396 1.00 3.74 H new ATOM 0 HD21 LEU A 613 10.492 -10.244 -3.106 1.00 3.63 H new ATOM 0 HD22 LEU A 613 9.313 -11.532 -2.760 1.00 3.63 H new ATOM 0 HD23 LEU A 613 9.743 -11.147 -4.444 1.00 3.63 H new ATOM 1275 N THR A 614 4.052 -10.336 -5.233 1.00 2.06 N ATOM 1276 CA THR A 614 2.995 -11.139 -5.898 1.00 1.77 C ATOM 1277 C THR A 614 2.207 -10.343 -6.946 1.00 1.96 C ATOM 1278 O THR A 614 2.234 -9.106 -6.949 1.00 2.43 O ATOM 1279 CB THR A 614 2.029 -11.809 -4.895 1.00 2.00 C ATOM 1280 OG1 THR A 614 1.266 -10.866 -4.178 1.00 3.12 O ATOM 1281 CG2 THR A 614 2.779 -12.691 -3.898 1.00 2.84 C ATOM 0 H THR A 614 3.729 -9.877 -4.381 1.00 2.06 H new ATOM 0 HA THR A 614 3.534 -11.930 -6.420 1.00 1.77 H new ATOM 0 HB THR A 614 1.357 -12.424 -5.494 1.00 2.00 H new ATOM 0 HG1 THR A 614 0.521 -10.557 -4.734 1.00 3.12 H new ATOM 0 HG21 THR A 614 2.068 -13.146 -3.208 1.00 2.84 H new ATOM 0 HG22 THR A 614 3.315 -13.474 -4.436 1.00 2.84 H new ATOM 0 HG23 THR A 614 3.490 -12.084 -3.338 1.00 2.84 H new ATOM 1289 N ARG A 615 1.514 -11.053 -7.851 1.00 2.04 N ATOM 1290 CA ARG A 615 0.467 -10.505 -8.732 1.00 2.57 C ATOM 1291 C ARG A 615 -0.678 -11.518 -8.905 1.00 2.13 C ATOM 1292 O ARG A 615 -0.429 -12.647 -9.337 1.00 2.42 O ATOM 1293 CB ARG A 615 1.054 -10.121 -10.106 1.00 3.64 C ATOM 1294 CG ARG A 615 2.164 -9.057 -10.071 1.00 5.06 C ATOM 1295 CD ARG A 615 2.669 -8.700 -11.477 1.00 6.03 C ATOM 1296 NE ARG A 615 1.649 -8.016 -12.292 1.00 7.21 N ATOM 1297 CZ ARG A 615 1.401 -6.725 -12.349 1.00 8.79 C ATOM 1298 NH1 ARG A 615 2.104 -5.839 -11.708 1.00 9.55 N ATOM 1299 NH2 ARG A 615 0.419 -6.286 -13.065 1.00 10.03 N ATOM 0 H ARG A 615 1.670 -12.051 -7.995 1.00 2.04 H new ATOM 0 HA ARG A 615 0.068 -9.605 -8.265 1.00 2.57 H new ATOM 0 HB2 ARG A 615 1.450 -11.020 -10.578 1.00 3.64 H new ATOM 0 HB3 ARG A 615 0.245 -9.758 -10.740 1.00 3.64 H new ATOM 0 HG2 ARG A 615 1.788 -8.158 -9.583 1.00 5.06 H new ATOM 0 HG3 ARG A 615 2.996 -9.422 -9.470 1.00 5.06 H new ATOM 0 HD2 ARG A 615 3.548 -8.061 -11.391 1.00 6.03 H new ATOM 0 HD3 ARG A 615 2.985 -9.610 -11.987 1.00 6.03 H new ATOM 0 HE ARG A 615 1.068 -8.613 -12.880 1.00 7.21 H new ATOM 0 HH11 ARG A 615 2.889 -6.134 -11.128 1.00 9.55 H new ATOM 0 HH12 ARG A 615 1.870 -4.849 -11.786 1.00 9.55 H new ATOM 0 HH21 ARG A 615 -0.164 -6.940 -13.586 1.00 10.03 H new ATOM 0 HH22 ARG A 615 0.227 -5.285 -13.109 1.00 10.03 H new ATOM 1313 N GLY A 616 -1.926 -11.127 -8.635 1.00 2.26 N ATOM 1314 CA GLY A 616 -3.121 -11.978 -8.767 1.00 2.03 C ATOM 1315 C GLY A 616 -4.396 -11.304 -8.239 1.00 1.86 C ATOM 1316 O GLY A 616 -4.318 -10.380 -7.431 1.00 2.23 O ATOM 0 H GLY A 616 -2.144 -10.185 -8.309 1.00 2.26 H new ATOM 0 HA2 GLY A 616 -3.261 -12.238 -9.816 1.00 2.03 H new ATOM 0 HA3 GLY A 616 -2.958 -12.910 -8.226 1.00 2.03 H new ATOM 1320 N ARG A 617 -5.583 -11.749 -8.676 1.00 1.71 N ATOM 1321 CA ARG A 617 -6.891 -11.200 -8.260 1.00 1.75 C ATOM 1322 C ARG A 617 -7.252 -11.542 -6.808 1.00 1.85 C ATOM 1323 O ARG A 617 -8.082 -12.408 -6.541 1.00 2.79 O ATOM 1324 CB ARG A 617 -7.973 -11.635 -9.267 1.00 2.16 C ATOM 1325 CG ARG A 617 -7.831 -10.807 -10.546 1.00 2.69 C ATOM 1326 CD ARG A 617 -8.727 -11.266 -11.696 1.00 2.26 C ATOM 1327 NE ARG A 617 -10.152 -11.150 -11.366 1.00 2.68 N ATOM 1328 CZ ARG A 617 -11.157 -11.709 -12.001 1.00 2.98 C ATOM 1329 NH1 ARG A 617 -11.014 -12.312 -13.142 1.00 3.38 N ATOM 1330 NH2 ARG A 617 -12.330 -11.645 -11.455 1.00 3.84 N ATOM 0 H ARG A 617 -5.667 -12.517 -9.343 1.00 1.71 H new ATOM 0 HA ARG A 617 -6.826 -10.112 -8.274 1.00 1.75 H new ATOM 0 HB2 ARG A 617 -7.871 -12.696 -9.493 1.00 2.16 H new ATOM 0 HB3 ARG A 617 -8.965 -11.495 -8.837 1.00 2.16 H new ATOM 0 HG2 ARG A 617 -8.058 -9.766 -10.318 1.00 2.69 H new ATOM 0 HG3 ARG A 617 -6.792 -10.842 -10.874 1.00 2.69 H new ATOM 0 HD2 ARG A 617 -8.511 -10.670 -12.583 1.00 2.26 H new ATOM 0 HD3 ARG A 617 -8.496 -12.302 -11.944 1.00 2.26 H new ATOM 0 HE ARG A 617 -10.387 -10.574 -10.558 1.00 2.68 H new ATOM 0 HH11 ARG A 617 -10.094 -12.365 -13.579 1.00 3.38 H new ATOM 0 HH12 ARG A 617 -11.822 -12.733 -13.601 1.00 3.38 H new ATOM 0 HH21 ARG A 617 -12.451 -11.171 -10.560 1.00 3.84 H new ATOM 0 HH22 ARG A 617 -13.133 -12.068 -11.920 1.00 3.84 H new ATOM 1344 N ARG A 618 -6.635 -10.822 -5.869 1.00 1.42 N ATOM 1345 CA ARG A 618 -6.912 -10.881 -4.424 1.00 1.59 C ATOM 1346 C ARG A 618 -8.329 -10.376 -4.135 1.00 1.73 C ATOM 1347 O ARG A 618 -8.664 -9.260 -4.530 1.00 2.09 O ATOM 1348 CB ARG A 618 -5.828 -10.065 -3.691 1.00 1.82 C ATOM 1349 CG ARG A 618 -6.025 -9.796 -2.188 1.00 2.82 C ATOM 1350 CD ARG A 618 -6.039 -11.039 -1.280 1.00 3.58 C ATOM 1351 NE ARG A 618 -5.641 -10.697 0.104 1.00 4.59 N ATOM 1352 CZ ARG A 618 -6.230 -9.857 0.935 1.00 6.14 C ATOM 1353 NH1 ARG A 618 -7.407 -9.357 0.730 1.00 7.10 N ATOM 1354 NH2 ARG A 618 -5.645 -9.458 2.019 1.00 7.39 N ATOM 0 H ARG A 618 -5.899 -10.154 -6.099 1.00 1.42 H new ATOM 0 HA ARG A 618 -6.873 -11.908 -4.061 1.00 1.59 H new ATOM 0 HB2 ARG A 618 -4.877 -10.583 -3.817 1.00 1.82 H new ATOM 0 HB3 ARG A 618 -5.736 -9.102 -4.194 1.00 1.82 H new ATOM 0 HG2 ARG A 618 -5.230 -9.132 -1.850 1.00 2.82 H new ATOM 0 HG3 ARG A 618 -6.965 -9.261 -2.054 1.00 2.82 H new ATOM 0 HD2 ARG A 618 -7.037 -11.478 -1.276 1.00 3.58 H new ATOM 0 HD3 ARG A 618 -5.361 -11.792 -1.680 1.00 3.58 H new ATOM 0 HE ARG A 618 -4.809 -11.168 0.460 1.00 4.59 H new ATOM 0 HH11 ARG A 618 -7.929 -9.608 -0.110 1.00 7.10 H new ATOM 0 HH12 ARG A 618 -7.812 -8.712 1.408 1.00 7.10 H new ATOM 0 HH21 ARG A 618 -4.709 -9.793 2.246 1.00 7.39 H new ATOM 0 HH22 ARG A 618 -6.120 -8.809 2.646 1.00 7.39 H new ATOM 1368 N THR A 619 -9.132 -11.167 -3.422 1.00 1.89 N ATOM 1369 CA THR A 619 -10.448 -10.736 -2.911 1.00 1.97 C ATOM 1370 C THR A 619 -10.314 -10.123 -1.519 1.00 1.71 C ATOM 1371 O THR A 619 -9.444 -10.526 -0.741 1.00 1.65 O ATOM 1372 CB THR A 619 -11.506 -11.851 -2.955 1.00 2.31 C ATOM 1373 OG1 THR A 619 -11.147 -12.938 -2.131 1.00 2.65 O ATOM 1374 CG2 THR A 619 -11.703 -12.376 -4.378 1.00 3.43 C ATOM 0 H THR A 619 -8.894 -12.128 -3.178 1.00 1.89 H new ATOM 0 HA THR A 619 -10.814 -9.962 -3.586 1.00 1.97 H new ATOM 0 HB THR A 619 -12.434 -11.408 -2.593 1.00 2.31 H new ATOM 0 HG1 THR A 619 -11.841 -13.629 -2.180 1.00 2.65 H new ATOM 0 HG21 THR A 619 -12.457 -13.163 -4.374 1.00 3.43 H new ATOM 0 HG22 THR A 619 -12.031 -11.562 -5.024 1.00 3.43 H new ATOM 0 HG23 THR A 619 -10.761 -12.778 -4.751 1.00 3.43 H new ATOM 1382 N ALA A 620 -11.117 -9.099 -1.227 1.00 1.70 N ATOM 1383 CA ALA A 620 -10.983 -8.256 -0.038 1.00 1.44 C ATOM 1384 C ALA A 620 -12.327 -7.652 0.410 1.00 1.31 C ATOM 1385 O ALA A 620 -13.304 -7.614 -0.338 1.00 1.83 O ATOM 1386 CB ALA A 620 -9.989 -7.138 -0.369 1.00 1.97 C ATOM 0 H ALA A 620 -11.897 -8.826 -1.825 1.00 1.70 H new ATOM 0 HA ALA A 620 -10.629 -8.869 0.790 1.00 1.44 H new ATOM 0 HB1 ALA A 620 -9.867 -6.491 0.499 1.00 1.97 H new ATOM 0 HB2 ALA A 620 -9.026 -7.574 -0.635 1.00 1.97 H new ATOM 0 HB3 ALA A 620 -10.366 -6.553 -1.208 1.00 1.97 H new ATOM 1392 N SER A 621 -12.390 -7.143 1.639 1.00 1.04 N ATOM 1393 CA SER A 621 -13.548 -6.428 2.188 1.00 1.02 C ATOM 1394 C SER A 621 -13.109 -5.511 3.337 1.00 0.92 C ATOM 1395 O SER A 621 -13.113 -5.900 4.501 1.00 0.96 O ATOM 1396 CB SER A 621 -14.596 -7.441 2.677 1.00 1.15 C ATOM 1397 OG SER A 621 -15.201 -8.110 1.578 1.00 1.85 O ATOM 0 H SER A 621 -11.618 -7.217 2.301 1.00 1.04 H new ATOM 0 HA SER A 621 -13.991 -5.810 1.407 1.00 1.02 H new ATOM 0 HB2 SER A 621 -14.125 -8.169 3.337 1.00 1.15 H new ATOM 0 HB3 SER A 621 -15.360 -6.928 3.262 1.00 1.15 H new ATOM 0 HG SER A 621 -14.688 -7.929 0.763 1.00 1.85 H new ATOM 1403 N VAL A 622 -12.733 -4.268 3.026 1.00 0.93 N ATOM 1404 CA VAL A 622 -12.382 -3.257 4.042 1.00 0.90 C ATOM 1405 C VAL A 622 -12.979 -1.891 3.690 1.00 0.89 C ATOM 1406 O VAL A 622 -12.940 -1.474 2.530 1.00 0.94 O ATOM 1407 CB VAL A 622 -10.858 -3.243 4.288 1.00 0.92 C ATOM 1408 CG1 VAL A 622 -10.012 -3.173 3.016 1.00 0.95 C ATOM 1409 CG2 VAL A 622 -10.425 -2.121 5.232 1.00 0.89 C ATOM 0 H VAL A 622 -12.662 -3.929 2.067 1.00 0.93 H new ATOM 0 HA VAL A 622 -12.834 -3.528 4.996 1.00 0.90 H new ATOM 0 HB VAL A 622 -10.669 -4.209 4.756 1.00 0.92 H new ATOM 0 HG11 VAL A 622 -8.955 -3.167 3.282 1.00 0.95 H new ATOM 0 HG12 VAL A 622 -10.224 -4.040 2.390 1.00 0.95 H new ATOM 0 HG13 VAL A 622 -10.253 -2.262 2.468 1.00 0.95 H new ATOM 0 HG21 VAL A 622 -9.344 -2.158 5.370 1.00 0.89 H new ATOM 0 HG22 VAL A 622 -10.703 -1.158 4.804 1.00 0.89 H new ATOM 0 HG23 VAL A 622 -10.918 -2.246 6.196 1.00 0.89 H new ATOM 1419 N ARG A 623 -13.565 -1.207 4.684 1.00 0.82 N ATOM 1420 CA ARG A 623 -14.331 0.038 4.510 1.00 0.76 C ATOM 1421 C ARG A 623 -13.888 1.194 5.403 1.00 0.70 C ATOM 1422 O ARG A 623 -13.380 1.007 6.510 1.00 0.66 O ATOM 1423 CB ARG A 623 -15.836 -0.259 4.636 1.00 0.85 C ATOM 1424 CG ARG A 623 -16.283 -0.672 6.054 1.00 0.97 C ATOM 1425 CD ARG A 623 -17.102 -1.967 6.022 1.00 1.28 C ATOM 1426 NE ARG A 623 -17.690 -2.286 7.337 1.00 2.34 N ATOM 1427 CZ ARG A 623 -18.846 -1.878 7.826 1.00 2.46 C ATOM 1428 NH1 ARG A 623 -19.665 -1.087 7.206 1.00 2.55 N ATOM 1429 NH2 ARG A 623 -19.228 -2.277 8.997 1.00 3.97 N ATOM 0 H ARG A 623 -13.519 -1.512 5.656 1.00 0.82 H new ATOM 0 HA ARG A 623 -14.117 0.399 3.504 1.00 0.76 H new ATOM 0 HB2 ARG A 623 -16.396 0.626 4.334 1.00 0.85 H new ATOM 0 HB3 ARG A 623 -16.097 -1.055 3.939 1.00 0.85 H new ATOM 0 HG2 ARG A 623 -15.408 -0.808 6.689 1.00 0.97 H new ATOM 0 HG3 ARG A 623 -16.878 0.127 6.498 1.00 0.97 H new ATOM 0 HD2 ARG A 623 -17.898 -1.874 5.283 1.00 1.28 H new ATOM 0 HD3 ARG A 623 -16.464 -2.791 5.701 1.00 1.28 H new ATOM 0 HE ARG A 623 -17.137 -2.895 7.940 1.00 2.34 H new ATOM 0 HH11 ARG A 623 -19.432 -0.738 6.276 1.00 2.55 H new ATOM 0 HH12 ARG A 623 -20.543 -0.814 7.648 1.00 2.55 H new ATOM 0 HH21 ARG A 623 -18.636 -2.906 9.540 1.00 3.97 H new ATOM 0 HH22 ARG A 623 -20.121 -1.963 9.377 1.00 3.97 H new ATOM 1443 N ALA A 624 -14.105 2.403 4.901 1.00 0.79 N ATOM 1444 CA ALA A 624 -13.795 3.648 5.579 1.00 0.83 C ATOM 1445 C ALA A 624 -14.724 3.853 6.790 1.00 0.90 C ATOM 1446 O ALA A 624 -15.947 3.920 6.634 1.00 1.04 O ATOM 1447 CB ALA A 624 -13.917 4.763 4.537 1.00 0.96 C ATOM 0 H ALA A 624 -14.516 2.545 3.978 1.00 0.79 H new ATOM 0 HA ALA A 624 -12.784 3.644 5.987 1.00 0.83 H new ATOM 0 HB1 ALA A 624 -13.692 5.722 5.003 1.00 0.96 H new ATOM 0 HB2 ALA A 624 -13.214 4.580 3.724 1.00 0.96 H new ATOM 0 HB3 ALA A 624 -14.932 4.781 4.141 1.00 0.96 H new ATOM 1453 N ASP A 625 -14.167 3.968 8.001 1.00 0.86 N ATOM 1454 CA ASP A 625 -14.955 4.286 9.207 1.00 0.96 C ATOM 1455 C ASP A 625 -15.338 5.764 9.260 1.00 1.04 C ATOM 1456 O ASP A 625 -16.325 6.144 9.899 1.00 1.17 O ATOM 1457 CB ASP A 625 -14.172 3.938 10.485 1.00 0.95 C ATOM 1458 CG ASP A 625 -14.985 2.995 11.366 1.00 1.37 C ATOM 1459 OD1 ASP A 625 -15.321 1.885 10.897 1.00 2.53 O ATOM 1460 OD2 ASP A 625 -15.365 3.392 12.491 1.00 1.87 O ATOM 0 H ASP A 625 -13.170 3.846 8.177 1.00 0.86 H new ATOM 0 HA ASP A 625 -15.862 3.684 9.152 1.00 0.96 H new ATOM 0 HB2 ASP A 625 -13.222 3.472 10.222 1.00 0.95 H new ATOM 0 HB3 ASP A 625 -13.938 4.849 11.035 1.00 0.95 H new ATOM 1465 N THR A 626 -14.520 6.579 8.597 1.00 0.98 N ATOM 1466 CA THR A 626 -14.600 8.045 8.561 1.00 1.10 C ATOM 1467 C THR A 626 -14.200 8.542 7.161 1.00 1.11 C ATOM 1468 O THR A 626 -13.897 7.728 6.293 1.00 1.05 O ATOM 1469 CB THR A 626 -13.751 8.630 9.709 1.00 1.23 C ATOM 1470 OG1 THR A 626 -13.725 10.033 9.612 1.00 1.48 O ATOM 1471 CG2 THR A 626 -12.324 8.079 9.737 1.00 1.11 C ATOM 0 H THR A 626 -13.743 6.221 8.041 1.00 0.98 H new ATOM 0 HA THR A 626 -15.619 8.394 8.728 1.00 1.10 H new ATOM 0 HB THR A 626 -14.223 8.326 10.644 1.00 1.23 H new ATOM 0 HG1 THR A 626 -13.187 10.402 10.343 1.00 1.48 H new ATOM 0 HG21 THR A 626 -11.777 8.528 10.566 1.00 1.11 H new ATOM 0 HG22 THR A 626 -12.354 6.997 9.866 1.00 1.11 H new ATOM 0 HG23 THR A 626 -11.823 8.319 8.799 1.00 1.11 H new ATOM 1479 N TYR A 627 -14.205 9.853 6.903 1.00 1.22 N ATOM 1480 CA TYR A 627 -13.618 10.446 5.699 1.00 1.28 C ATOM 1481 C TYR A 627 -12.101 10.178 5.753 1.00 1.25 C ATOM 1482 O TYR A 627 -11.365 10.845 6.483 1.00 1.48 O ATOM 1483 CB TYR A 627 -14.034 11.931 5.677 1.00 1.41 C ATOM 1484 CG TYR A 627 -13.502 12.861 4.592 1.00 1.86 C ATOM 1485 CD1 TYR A 627 -12.249 13.496 4.737 1.00 2.00 C ATOM 1486 CD2 TYR A 627 -14.335 13.224 3.515 1.00 3.20 C ATOM 1487 CE1 TYR A 627 -11.834 14.487 3.819 1.00 2.38 C ATOM 1488 CE2 TYR A 627 -13.918 14.204 2.588 1.00 3.66 C ATOM 1489 CZ TYR A 627 -12.677 14.856 2.748 1.00 2.87 C ATOM 1490 OH TYR A 627 -12.303 15.825 1.869 1.00 3.39 O ATOM 0 H TYR A 627 -14.622 10.540 7.532 1.00 1.22 H new ATOM 0 HA TYR A 627 -13.968 10.018 4.760 1.00 1.28 H new ATOM 0 HB2 TYR A 627 -15.122 11.961 5.623 1.00 1.41 H new ATOM 0 HB3 TYR A 627 -13.751 12.360 6.638 1.00 1.41 H new ATOM 0 HD1 TYR A 627 -11.602 13.222 5.557 1.00 2.00 H new ATOM 0 HD2 TYR A 627 -15.298 12.750 3.398 1.00 3.20 H new ATOM 0 HE1 TYR A 627 -10.871 14.962 3.937 1.00 2.38 H new ATOM 0 HE2 TYR A 627 -14.553 14.456 1.751 1.00 3.66 H new ATOM 0 HH TYR A 627 -13.006 15.946 1.197 1.00 3.39 H new ATOM 1500 N CYS A 628 -11.639 9.128 5.069 1.00 1.02 N ATOM 1501 CA CYS A 628 -10.298 8.569 5.226 1.00 0.86 C ATOM 1502 C CYS A 628 -9.380 9.042 4.086 1.00 0.78 C ATOM 1503 O CYS A 628 -9.654 8.801 2.904 1.00 0.87 O ATOM 1504 CB CYS A 628 -10.369 7.033 5.424 1.00 0.78 C ATOM 1505 SG CYS A 628 -10.680 6.110 3.898 1.00 2.37 S ATOM 0 H CYS A 628 -12.201 8.634 4.376 1.00 1.02 H new ATOM 0 HA CYS A 628 -9.835 8.949 6.137 1.00 0.86 H new ATOM 0 HB2 CYS A 628 -9.431 6.689 5.860 1.00 0.78 H new ATOM 0 HB3 CYS A 628 -11.157 6.805 6.142 1.00 0.78 H new ATOM 0 HG CYS A 628 -10.383 6.853 2.873 1.00 2.37 H new ATOM 1511 N ARG A 629 -8.287 9.716 4.462 1.00 0.73 N ATOM 1512 CA ARG A 629 -7.208 10.202 3.593 1.00 0.69 C ATOM 1513 C ARG A 629 -6.205 9.081 3.371 1.00 0.68 C ATOM 1514 O ARG A 629 -5.462 8.707 4.286 1.00 0.73 O ATOM 1515 CB ARG A 629 -6.512 11.404 4.255 1.00 0.76 C ATOM 1516 CG ARG A 629 -7.413 12.639 4.411 1.00 1.45 C ATOM 1517 CD ARG A 629 -7.056 13.706 3.380 1.00 1.25 C ATOM 1518 NE ARG A 629 -5.804 14.410 3.725 1.00 1.67 N ATOM 1519 CZ ARG A 629 -5.345 15.519 3.178 1.00 2.53 C ATOM 1520 NH1 ARG A 629 -6.008 16.172 2.274 1.00 3.22 N ATOM 1521 NH2 ARG A 629 -4.189 15.981 3.538 1.00 3.25 N ATOM 0 H ARG A 629 -8.122 9.951 5.441 1.00 0.73 H new ATOM 0 HA ARG A 629 -7.621 10.516 2.634 1.00 0.69 H new ATOM 0 HB2 ARG A 629 -6.150 11.105 5.238 1.00 0.76 H new ATOM 0 HB3 ARG A 629 -5.638 11.677 3.663 1.00 0.76 H new ATOM 0 HG2 ARG A 629 -8.457 12.350 4.294 1.00 1.45 H new ATOM 0 HG3 ARG A 629 -7.306 13.048 5.416 1.00 1.45 H new ATOM 0 HD2 ARG A 629 -6.953 13.242 2.399 1.00 1.25 H new ATOM 0 HD3 ARG A 629 -7.870 14.427 3.308 1.00 1.25 H new ATOM 0 HE ARG A 629 -5.235 13.995 4.463 1.00 1.67 H new ATOM 0 HH11 ARG A 629 -6.918 15.831 1.963 1.00 3.22 H new ATOM 0 HH12 ARG A 629 -5.620 17.026 1.874 1.00 3.22 H new ATOM 0 HH21 ARG A 629 -3.639 15.487 4.241 1.00 3.25 H new ATOM 0 HH22 ARG A 629 -3.829 16.838 3.118 1.00 3.25 H new ATOM 1535 N LEU A 630 -6.190 8.547 2.157 1.00 0.67 N ATOM 1536 CA LEU A 630 -5.356 7.399 1.792 1.00 0.65 C ATOM 1537 C LEU A 630 -4.323 7.785 0.716 1.00 0.67 C ATOM 1538 O LEU A 630 -4.511 8.726 -0.058 1.00 0.80 O ATOM 1539 CB LEU A 630 -6.227 6.201 1.347 1.00 0.61 C ATOM 1540 CG LEU A 630 -7.389 5.782 2.279 1.00 0.61 C ATOM 1541 CD1 LEU A 630 -7.954 4.430 1.841 1.00 0.63 C ATOM 1542 CD2 LEU A 630 -7.021 5.602 3.754 1.00 0.72 C ATOM 0 H LEU A 630 -6.760 8.898 1.388 1.00 0.67 H new ATOM 0 HA LEU A 630 -4.801 7.087 2.677 1.00 0.65 H new ATOM 0 HB2 LEU A 630 -6.647 6.435 0.369 1.00 0.61 H new ATOM 0 HB3 LEU A 630 -5.573 5.339 1.215 1.00 0.61 H new ATOM 0 HG LEU A 630 -8.093 6.610 2.194 1.00 0.61 H new ATOM 0 HD11 LEU A 630 -8.771 4.145 2.504 1.00 0.63 H new ATOM 0 HD12 LEU A 630 -8.325 4.505 0.819 1.00 0.63 H new ATOM 0 HD13 LEU A 630 -7.169 3.675 1.888 1.00 0.63 H new ATOM 0 HD21 LEU A 630 -7.907 5.309 4.317 1.00 0.72 H new ATOM 0 HD22 LEU A 630 -6.259 4.828 3.847 1.00 0.72 H new ATOM 0 HD23 LEU A 630 -6.634 6.541 4.150 1.00 0.72 H new ATOM 1554 N TYR A 631 -3.240 7.018 0.640 1.00 0.66 N ATOM 1555 CA TYR A 631 -2.298 7.021 -0.484 1.00 0.63 C ATOM 1556 C TYR A 631 -2.637 5.861 -1.435 1.00 0.63 C ATOM 1557 O TYR A 631 -3.254 4.882 -1.001 1.00 0.85 O ATOM 1558 CB TYR A 631 -0.850 7.082 0.071 1.00 0.87 C ATOM 1559 CG TYR A 631 0.213 6.045 -0.300 1.00 2.27 C ATOM 1560 CD1 TYR A 631 -0.077 4.671 -0.426 1.00 3.78 C ATOM 1561 CD2 TYR A 631 1.560 6.452 -0.370 1.00 3.14 C ATOM 1562 CE1 TYR A 631 0.932 3.745 -0.727 1.00 5.30 C ATOM 1563 CE2 TYR A 631 2.587 5.523 -0.640 1.00 4.55 C ATOM 1564 CZ TYR A 631 2.269 4.161 -0.826 1.00 5.46 C ATOM 1565 OH TYR A 631 3.241 3.240 -1.055 1.00 7.03 O ATOM 0 H TYR A 631 -2.983 6.359 1.375 1.00 0.66 H new ATOM 0 HA TYR A 631 -2.385 7.909 -1.110 1.00 0.63 H new ATOM 0 HB2 TYR A 631 -0.448 8.056 -0.210 1.00 0.87 H new ATOM 0 HB3 TYR A 631 -0.931 7.072 1.158 1.00 0.87 H new ATOM 0 HD1 TYR A 631 -1.091 4.327 -0.289 1.00 3.78 H new ATOM 0 HD2 TYR A 631 1.810 7.491 -0.215 1.00 3.14 H new ATOM 0 HE1 TYR A 631 0.679 2.707 -0.883 1.00 5.30 H new ATOM 0 HE2 TYR A 631 3.613 5.853 -0.704 1.00 4.55 H new ATOM 0 HH TYR A 631 4.112 3.687 -1.098 1.00 7.03 H new ATOM 1575 N SER A 632 -2.231 5.933 -2.706 1.00 0.61 N ATOM 1576 CA SER A 632 -2.288 4.782 -3.618 1.00 0.73 C ATOM 1577 C SER A 632 -1.136 4.752 -4.632 1.00 0.76 C ATOM 1578 O SER A 632 -0.844 5.740 -5.316 1.00 0.88 O ATOM 1579 CB SER A 632 -3.666 4.676 -4.282 1.00 1.01 C ATOM 1580 OG SER A 632 -4.034 5.841 -4.996 1.00 1.71 O ATOM 0 H SER A 632 -1.857 6.781 -3.131 1.00 0.61 H new ATOM 0 HA SER A 632 -2.147 3.889 -3.010 1.00 0.73 H new ATOM 0 HB2 SER A 632 -3.669 3.825 -4.963 1.00 1.01 H new ATOM 0 HB3 SER A 632 -4.416 4.475 -3.517 1.00 1.01 H new ATOM 0 HG SER A 632 -4.919 5.713 -5.397 1.00 1.71 H new ATOM 1586 N LEU A 633 -0.470 3.594 -4.730 1.00 0.76 N ATOM 1587 CA LEU A 633 0.772 3.388 -5.492 1.00 0.83 C ATOM 1588 C LEU A 633 0.773 1.984 -6.136 1.00 0.94 C ATOM 1589 O LEU A 633 0.686 0.978 -5.431 1.00 0.96 O ATOM 1590 CB LEU A 633 1.950 3.581 -4.504 1.00 0.76 C ATOM 1591 CG LEU A 633 3.312 3.972 -5.108 1.00 0.99 C ATOM 1592 CD1 LEU A 633 4.376 3.985 -4.010 1.00 1.10 C ATOM 1593 CD2 LEU A 633 3.819 3.032 -6.196 1.00 1.43 C ATOM 0 H LEU A 633 -0.791 2.745 -4.265 1.00 0.76 H new ATOM 0 HA LEU A 633 0.864 4.102 -6.310 1.00 0.83 H new ATOM 0 HB2 LEU A 633 1.666 4.348 -3.784 1.00 0.76 H new ATOM 0 HB3 LEU A 633 2.080 2.653 -3.947 1.00 0.76 H new ATOM 0 HG LEU A 633 3.148 4.951 -5.558 1.00 0.99 H new ATOM 0 HD11 LEU A 633 5.339 4.262 -4.440 1.00 1.10 H new ATOM 0 HD12 LEU A 633 4.099 4.709 -3.244 1.00 1.10 H new ATOM 0 HD13 LEU A 633 4.450 2.994 -3.563 1.00 1.10 H new ATOM 0 HD21 LEU A 633 4.783 3.386 -6.562 1.00 1.43 H new ATOM 0 HD22 LEU A 633 3.933 2.029 -5.786 1.00 1.43 H new ATOM 0 HD23 LEU A 633 3.104 3.009 -7.019 1.00 1.43 H new ATOM 1605 N SER A 634 0.863 1.890 -7.466 1.00 1.27 N ATOM 1606 CA SER A 634 0.938 0.601 -8.180 1.00 1.54 C ATOM 1607 C SER A 634 2.309 -0.073 -8.053 1.00 1.41 C ATOM 1608 O SER A 634 3.346 0.588 -8.128 1.00 1.25 O ATOM 1609 CB SER A 634 0.578 0.794 -9.653 1.00 1.93 C ATOM 1610 OG SER A 634 0.681 -0.435 -10.348 1.00 3.50 O ATOM 0 H SER A 634 0.886 2.702 -8.083 1.00 1.27 H new ATOM 0 HA SER A 634 0.215 -0.065 -7.708 1.00 1.54 H new ATOM 0 HB2 SER A 634 -0.436 1.184 -9.739 1.00 1.93 H new ATOM 0 HB3 SER A 634 1.242 1.531 -10.103 1.00 1.93 H new ATOM 0 HG SER A 634 0.446 -0.299 -11.290 1.00 3.50 H new ATOM 1616 N VAL A 635 2.358 -1.408 -7.959 1.00 1.56 N ATOM 1617 CA VAL A 635 3.645 -2.122 -7.963 1.00 1.52 C ATOM 1618 C VAL A 635 4.367 -2.036 -9.299 1.00 1.53 C ATOM 1619 O VAL A 635 5.581 -2.207 -9.322 1.00 1.57 O ATOM 1620 CB VAL A 635 3.590 -3.580 -7.482 1.00 1.88 C ATOM 1621 CG1 VAL A 635 2.764 -3.714 -6.209 1.00 2.66 C ATOM 1622 CG2 VAL A 635 3.109 -4.614 -8.497 1.00 2.11 C ATOM 0 H VAL A 635 1.537 -2.009 -7.880 1.00 1.56 H new ATOM 0 HA VAL A 635 4.224 -1.580 -7.215 1.00 1.52 H new ATOM 0 HB VAL A 635 4.639 -3.815 -7.300 1.00 1.88 H new ATOM 0 HG11 VAL A 635 2.745 -4.758 -5.896 1.00 2.66 H new ATOM 0 HG12 VAL A 635 3.209 -3.106 -5.421 1.00 2.66 H new ATOM 0 HG13 VAL A 635 1.746 -3.374 -6.398 1.00 2.66 H new ATOM 0 HG21 VAL A 635 3.115 -5.603 -8.039 1.00 2.11 H new ATOM 0 HG22 VAL A 635 2.096 -4.367 -8.816 1.00 2.11 H new ATOM 0 HG23 VAL A 635 3.772 -4.611 -9.362 1.00 2.11 H new ATOM 1632 N ASP A 636 3.687 -1.702 -10.399 1.00 1.59 N ATOM 1633 CA ASP A 636 4.381 -1.397 -11.654 1.00 1.62 C ATOM 1634 C ASP A 636 5.301 -0.172 -11.481 1.00 1.51 C ATOM 1635 O ASP A 636 6.426 -0.171 -11.977 1.00 1.60 O ATOM 1636 CB ASP A 636 3.367 -1.142 -12.778 1.00 1.77 C ATOM 1637 CG ASP A 636 2.514 -2.353 -13.169 1.00 2.15 C ATOM 1638 OD1 ASP A 636 2.943 -3.521 -13.003 1.00 3.12 O ATOM 1639 OD2 ASP A 636 1.376 -2.132 -13.645 1.00 2.19 O ATOM 0 H ASP A 636 2.670 -1.636 -10.448 1.00 1.59 H new ATOM 0 HA ASP A 636 4.995 -2.257 -11.924 1.00 1.62 H new ATOM 0 HB2 ASP A 636 2.704 -0.333 -12.471 1.00 1.77 H new ATOM 0 HB3 ASP A 636 3.905 -0.796 -13.660 1.00 1.77 H new ATOM 1644 N ASN A 637 4.859 0.821 -10.697 1.00 1.44 N ATOM 1645 CA ASN A 637 5.572 2.049 -10.329 1.00 1.41 C ATOM 1646 C ASN A 637 6.611 1.855 -9.196 1.00 1.29 C ATOM 1647 O ASN A 637 7.499 2.697 -9.073 1.00 1.48 O ATOM 1648 CB ASN A 637 4.514 3.114 -10.003 1.00 1.68 C ATOM 1649 CG ASN A 637 3.699 3.515 -11.219 1.00 2.15 C ATOM 1650 OD1 ASN A 637 2.564 3.103 -11.411 1.00 3.25 O ATOM 1651 ND2 ASN A 637 4.263 4.294 -12.103 1.00 1.73 N ATOM 0 H ASN A 637 3.931 0.784 -10.275 1.00 1.44 H new ATOM 0 HA ASN A 637 6.184 2.376 -11.170 1.00 1.41 H new ATOM 0 HB2 ASN A 637 3.845 2.733 -9.231 1.00 1.68 H new ATOM 0 HB3 ASN A 637 5.005 3.996 -9.592 1.00 1.68 H new ATOM 0 HD21 ASN A 637 3.757 4.556 -12.949 1.00 1.73 H new ATOM 0 HD22 ASN A 637 5.210 4.640 -11.947 1.00 1.73 H new ATOM 1658 N PHE A 638 6.540 0.770 -8.406 1.00 1.18 N ATOM 1659 CA PHE A 638 7.615 0.211 -7.555 1.00 1.05 C ATOM 1660 C PHE A 638 8.708 -0.491 -8.390 1.00 0.97 C ATOM 1661 O PHE A 638 9.896 -0.194 -8.274 1.00 0.84 O ATOM 1662 CB PHE A 638 7.033 -0.768 -6.534 1.00 1.21 C ATOM 1663 CG PHE A 638 8.076 -1.268 -5.547 1.00 1.23 C ATOM 1664 CD1 PHE A 638 8.332 -0.541 -4.369 1.00 1.78 C ATOM 1665 CD2 PHE A 638 8.792 -2.455 -5.803 1.00 2.32 C ATOM 1666 CE1 PHE A 638 9.288 -1.005 -3.448 1.00 1.89 C ATOM 1667 CE2 PHE A 638 9.732 -2.927 -4.870 1.00 2.53 C ATOM 1668 CZ PHE A 638 9.982 -2.201 -3.695 1.00 1.71 C ATOM 0 H PHE A 638 5.681 0.224 -8.337 1.00 1.18 H new ATOM 0 HA PHE A 638 8.080 1.047 -7.033 1.00 1.05 H new ATOM 0 HB2 PHE A 638 6.225 -0.281 -5.988 1.00 1.21 H new ATOM 0 HB3 PHE A 638 6.597 -1.618 -7.058 1.00 1.21 H new ATOM 0 HD1 PHE A 638 7.793 0.374 -4.172 1.00 1.78 H new ATOM 0 HD2 PHE A 638 8.618 -3.003 -6.717 1.00 2.32 H new ATOM 0 HE1 PHE A 638 9.489 -0.441 -2.549 1.00 1.89 H new ATOM 0 HE2 PHE A 638 10.262 -3.849 -5.058 1.00 2.53 H new ATOM 0 HZ PHE A 638 10.708 -2.562 -2.981 1.00 1.71 H new ATOM 1678 N ASN A 639 8.313 -1.403 -9.281 1.00 1.12 N ATOM 1679 CA ASN A 639 9.232 -2.148 -10.150 1.00 1.15 C ATOM 1680 C ASN A 639 9.904 -1.239 -11.207 1.00 1.13 C ATOM 1681 O ASN A 639 10.994 -1.551 -11.684 1.00 1.14 O ATOM 1682 CB ASN A 639 8.463 -3.337 -10.761 1.00 1.39 C ATOM 1683 CG ASN A 639 8.222 -4.475 -9.782 1.00 1.76 C ATOM 1684 OD1 ASN A 639 9.070 -5.337 -9.588 1.00 2.17 O ATOM 1685 ND2 ASN A 639 7.084 -4.544 -9.136 1.00 1.96 N ATOM 0 H ASN A 639 7.333 -1.649 -9.423 1.00 1.12 H new ATOM 0 HA ASN A 639 10.064 -2.538 -9.563 1.00 1.15 H new ATOM 0 HB2 ASN A 639 7.503 -2.983 -11.137 1.00 1.39 H new ATOM 0 HB3 ASN A 639 9.020 -3.717 -11.617 1.00 1.39 H new ATOM 0 HD21 ASN A 639 6.914 -5.308 -8.482 1.00 1.96 H new ATOM 0 HD22 ASN A 639 6.368 -3.833 -9.287 1.00 1.96 H new ATOM 1692 N GLU A 640 9.298 -0.088 -11.508 1.00 1.22 N ATOM 1693 CA GLU A 640 9.836 1.017 -12.315 1.00 1.31 C ATOM 1694 C GLU A 640 10.959 1.794 -11.606 1.00 1.23 C ATOM 1695 O GLU A 640 11.972 2.116 -12.228 1.00 1.32 O ATOM 1696 CB GLU A 640 8.635 1.918 -12.672 1.00 1.58 C ATOM 1697 CG GLU A 640 8.877 3.421 -12.821 1.00 1.83 C ATOM 1698 CD GLU A 640 7.580 4.185 -13.103 1.00 3.50 C ATOM 1699 OE1 GLU A 640 7.175 4.332 -14.285 1.00 3.92 O ATOM 1700 OE2 GLU A 640 6.973 4.661 -12.115 1.00 5.18 O ATOM 0 H GLU A 640 8.356 0.113 -11.174 1.00 1.22 H new ATOM 0 HA GLU A 640 10.314 0.628 -13.214 1.00 1.31 H new ATOM 0 HB2 GLU A 640 8.213 1.554 -13.609 1.00 1.58 H new ATOM 0 HB3 GLU A 640 7.874 1.778 -11.904 1.00 1.58 H new ATOM 0 HG2 GLU A 640 9.334 3.807 -11.910 1.00 1.83 H new ATOM 0 HG3 GLU A 640 9.584 3.596 -13.632 1.00 1.83 H new ATOM 1707 N VAL A 641 10.792 2.091 -10.313 1.00 1.12 N ATOM 1708 CA VAL A 641 11.780 2.848 -9.512 1.00 1.06 C ATOM 1709 C VAL A 641 12.955 1.984 -9.057 1.00 0.94 C ATOM 1710 O VAL A 641 14.073 2.484 -8.966 1.00 1.02 O ATOM 1711 CB VAL A 641 11.105 3.607 -8.354 1.00 1.00 C ATOM 1712 CG1 VAL A 641 10.336 2.716 -7.384 1.00 0.93 C ATOM 1713 CG2 VAL A 641 12.072 4.460 -7.523 1.00 0.93 C ATOM 0 H VAL A 641 9.965 1.815 -9.783 1.00 1.12 H new ATOM 0 HA VAL A 641 12.215 3.602 -10.168 1.00 1.06 H new ATOM 0 HB VAL A 641 10.405 4.254 -8.883 1.00 1.00 H new ATOM 0 HG11 VAL A 641 9.892 3.330 -6.600 1.00 0.93 H new ATOM 0 HG12 VAL A 641 9.548 2.188 -7.921 1.00 0.93 H new ATOM 0 HG13 VAL A 641 11.017 1.992 -6.936 1.00 0.93 H new ATOM 0 HG21 VAL A 641 11.522 4.963 -6.728 1.00 0.93 H new ATOM 0 HG22 VAL A 641 12.838 3.820 -7.086 1.00 0.93 H new ATOM 0 HG23 VAL A 641 12.544 5.204 -8.164 1.00 0.93 H new ATOM 1723 N LEU A 642 12.747 0.676 -8.866 1.00 0.85 N ATOM 1724 CA LEU A 642 13.834 -0.294 -8.634 1.00 0.84 C ATOM 1725 C LEU A 642 14.965 -0.184 -9.666 1.00 0.98 C ATOM 1726 O LEU A 642 16.141 -0.267 -9.322 1.00 1.12 O ATOM 1727 CB LEU A 642 13.275 -1.733 -8.684 1.00 0.87 C ATOM 1728 CG LEU A 642 12.636 -2.265 -7.393 1.00 1.04 C ATOM 1729 CD1 LEU A 642 12.215 -3.719 -7.618 1.00 1.31 C ATOM 1730 CD2 LEU A 642 13.628 -2.267 -6.234 1.00 1.86 C ATOM 0 H LEU A 642 11.818 0.255 -8.867 1.00 0.85 H new ATOM 0 HA LEU A 642 14.246 -0.063 -7.652 1.00 0.84 H new ATOM 0 HB2 LEU A 642 12.531 -1.782 -9.479 1.00 0.87 H new ATOM 0 HB3 LEU A 642 14.086 -2.405 -8.965 1.00 0.87 H new ATOM 0 HG LEU A 642 11.792 -1.620 -7.150 1.00 1.04 H new ATOM 0 HD11 LEU A 642 11.759 -4.111 -6.709 1.00 1.31 H new ATOM 0 HD12 LEU A 642 11.495 -3.767 -8.435 1.00 1.31 H new ATOM 0 HD13 LEU A 642 13.091 -4.316 -7.871 1.00 1.31 H new ATOM 0 HD21 LEU A 642 13.140 -2.650 -5.338 1.00 1.86 H new ATOM 0 HD22 LEU A 642 14.478 -2.902 -6.484 1.00 1.86 H new ATOM 0 HD23 LEU A 642 13.976 -1.250 -6.051 1.00 1.86 H new ATOM 1742 N GLU A 643 14.610 0.022 -10.931 1.00 1.10 N ATOM 1743 CA GLU A 643 15.536 0.069 -12.063 1.00 1.30 C ATOM 1744 C GLU A 643 16.566 1.211 -12.005 1.00 1.32 C ATOM 1745 O GLU A 643 17.597 1.131 -12.678 1.00 1.46 O ATOM 1746 CB GLU A 643 14.680 0.154 -13.334 1.00 1.56 C ATOM 1747 CG GLU A 643 13.816 -1.103 -13.528 1.00 1.95 C ATOM 1748 CD GLU A 643 14.562 -2.223 -14.260 1.00 2.44 C ATOM 1749 OE1 GLU A 643 15.780 -2.414 -14.030 1.00 2.97 O ATOM 1750 OE2 GLU A 643 13.946 -2.953 -15.073 1.00 3.32 O ATOM 0 H GLU A 643 13.639 0.166 -11.207 1.00 1.10 H new ATOM 0 HA GLU A 643 16.150 -0.832 -12.043 1.00 1.30 H new ATOM 0 HB2 GLU A 643 14.037 1.032 -13.280 1.00 1.56 H new ATOM 0 HB3 GLU A 643 15.328 0.286 -14.200 1.00 1.56 H new ATOM 0 HG2 GLU A 643 13.486 -1.467 -12.555 1.00 1.95 H new ATOM 0 HG3 GLU A 643 12.920 -0.840 -14.090 1.00 1.95 H new ATOM 1757 N GLU A 644 16.339 2.248 -11.193 1.00 1.23 N ATOM 1758 CA GLU A 644 17.274 3.351 -10.959 1.00 1.33 C ATOM 1759 C GLU A 644 18.377 3.040 -9.937 1.00 1.32 C ATOM 1760 O GLU A 644 19.369 3.771 -9.858 1.00 1.50 O ATOM 1761 CB GLU A 644 16.442 4.517 -10.455 1.00 1.31 C ATOM 1762 CG GLU A 644 15.504 5.048 -11.541 1.00 1.42 C ATOM 1763 CD GLU A 644 16.190 6.113 -12.395 1.00 1.64 C ATOM 1764 OE1 GLU A 644 16.888 5.771 -13.383 1.00 2.55 O ATOM 1765 OE2 GLU A 644 16.079 7.317 -12.058 1.00 2.34 O ATOM 0 H GLU A 644 15.472 2.345 -10.664 1.00 1.23 H new ATOM 0 HA GLU A 644 17.796 3.560 -11.893 1.00 1.33 H new ATOM 0 HB2 GLU A 644 15.858 4.201 -9.591 1.00 1.31 H new ATOM 0 HB3 GLU A 644 17.101 5.317 -10.119 1.00 1.31 H new ATOM 0 HG2 GLU A 644 15.177 4.225 -12.176 1.00 1.42 H new ATOM 0 HG3 GLU A 644 14.611 5.469 -11.079 1.00 1.42 H new ATOM 1772 N TYR A 645 18.192 1.968 -9.165 1.00 1.17 N ATOM 1773 CA TYR A 645 19.014 1.552 -8.028 1.00 1.19 C ATOM 1774 C TYR A 645 19.442 0.080 -8.190 1.00 1.29 C ATOM 1775 O TYR A 645 18.882 -0.802 -7.532 1.00 1.30 O ATOM 1776 CB TYR A 645 18.236 1.792 -6.724 1.00 1.05 C ATOM 1777 CG TYR A 645 17.877 3.242 -6.483 1.00 0.98 C ATOM 1778 CD1 TYR A 645 18.758 4.087 -5.782 1.00 1.49 C ATOM 1779 CD2 TYR A 645 16.670 3.751 -6.993 1.00 2.33 C ATOM 1780 CE1 TYR A 645 18.428 5.442 -5.594 1.00 1.45 C ATOM 1781 CE2 TYR A 645 16.346 5.109 -6.831 1.00 2.41 C ATOM 1782 CZ TYR A 645 17.225 5.959 -6.127 1.00 1.08 C ATOM 1783 OH TYR A 645 16.925 7.274 -5.967 1.00 1.27 O ATOM 0 H TYR A 645 17.415 1.327 -9.328 1.00 1.17 H new ATOM 0 HA TYR A 645 19.927 2.146 -7.989 1.00 1.19 H new ATOM 0 HB2 TYR A 645 17.321 1.200 -6.744 1.00 1.05 H new ATOM 0 HB3 TYR A 645 18.831 1.431 -5.885 1.00 1.05 H new ATOM 0 HD1 TYR A 645 19.685 3.696 -5.389 1.00 1.49 H new ATOM 0 HD2 TYR A 645 15.988 3.095 -7.512 1.00 2.33 H new ATOM 0 HE1 TYR A 645 19.095 6.088 -5.042 1.00 1.45 H new ATOM 0 HE2 TYR A 645 15.428 5.500 -7.244 1.00 2.41 H new ATOM 0 HH TYR A 645 16.064 7.467 -6.393 1.00 1.27 H new ATOM 1793 N PRO A 646 20.396 -0.233 -9.087 1.00 1.46 N ATOM 1794 CA PRO A 646 20.735 -1.604 -9.480 1.00 1.66 C ATOM 1795 C PRO A 646 21.057 -2.614 -8.355 1.00 1.68 C ATOM 1796 O PRO A 646 20.837 -3.807 -8.583 1.00 1.85 O ATOM 1797 CB PRO A 646 21.870 -1.473 -10.507 1.00 1.87 C ATOM 1798 CG PRO A 646 22.358 -0.032 -10.379 1.00 1.85 C ATOM 1799 CD PRO A 646 21.095 0.703 -9.954 1.00 1.59 C ATOM 0 HA PRO A 646 19.837 -2.065 -9.891 1.00 1.66 H new ATOM 0 HB2 PRO A 646 22.673 -2.181 -10.300 1.00 1.87 H new ATOM 0 HB3 PRO A 646 21.514 -1.681 -11.516 1.00 1.87 H new ATOM 0 HG2 PRO A 646 23.153 0.064 -9.639 1.00 1.85 H new ATOM 0 HG3 PRO A 646 22.752 0.349 -11.321 1.00 1.85 H new ATOM 0 HD2 PRO A 646 21.333 1.628 -9.428 1.00 1.59 H new ATOM 0 HD3 PRO A 646 20.486 0.974 -10.816 1.00 1.59 H new ATOM 1807 N MET A 647 21.487 -2.219 -7.143 1.00 1.53 N ATOM 1808 CA MET A 647 21.591 -3.194 -6.035 1.00 1.59 C ATOM 1809 C MET A 647 20.220 -3.547 -5.424 1.00 1.52 C ATOM 1810 O MET A 647 19.976 -4.692 -5.048 1.00 1.62 O ATOM 1811 CB MET A 647 22.598 -2.787 -4.956 1.00 1.61 C ATOM 1812 CG MET A 647 22.181 -1.493 -4.285 1.00 2.28 C ATOM 1813 SD MET A 647 22.896 -1.168 -2.663 1.00 1.84 S ATOM 1814 CE MET A 647 21.303 -0.831 -1.882 1.00 1.40 C ATOM 0 H MET A 647 21.761 -1.265 -6.907 1.00 1.53 H new ATOM 0 HA MET A 647 21.984 -4.101 -6.494 1.00 1.59 H new ATOM 0 HB2 MET A 647 22.678 -3.578 -4.211 1.00 1.61 H new ATOM 0 HB3 MET A 647 23.586 -2.668 -5.401 1.00 1.61 H new ATOM 0 HG2 MET A 647 22.441 -0.666 -4.945 1.00 2.28 H new ATOM 0 HG3 MET A 647 21.095 -1.493 -4.187 1.00 2.28 H new ATOM 0 HE1 MET A 647 21.455 -0.609 -0.826 1.00 1.40 H new ATOM 0 HE2 MET A 647 20.833 0.024 -2.369 1.00 1.40 H new ATOM 0 HE3 MET A 647 20.658 -1.704 -1.980 1.00 1.40 H new ATOM 1824 N MET A 648 19.300 -2.577 -5.365 1.00 1.39 N ATOM 1825 CA MET A 648 17.926 -2.774 -4.898 1.00 1.34 C ATOM 1826 C MET A 648 17.138 -3.547 -5.958 1.00 1.49 C ATOM 1827 O MET A 648 16.412 -4.472 -5.617 1.00 1.57 O ATOM 1828 CB MET A 648 17.255 -1.421 -4.587 1.00 1.22 C ATOM 1829 CG MET A 648 17.911 -0.606 -3.461 1.00 1.49 C ATOM 1830 SD MET A 648 17.212 -0.769 -1.789 1.00 1.61 S ATOM 1831 CE MET A 648 17.526 -2.515 -1.409 1.00 2.06 C ATOM 0 H MET A 648 19.495 -1.616 -5.646 1.00 1.39 H new ATOM 0 HA MET A 648 17.940 -3.352 -3.974 1.00 1.34 H new ATOM 0 HB2 MET A 648 17.252 -0.818 -5.495 1.00 1.22 H new ATOM 0 HB3 MET A 648 16.213 -1.603 -4.322 1.00 1.22 H new ATOM 0 HG2 MET A 648 18.964 -0.884 -3.414 1.00 1.49 H new ATOM 0 HG3 MET A 648 17.872 0.447 -3.741 1.00 1.49 H new ATOM 0 HE1 MET A 648 17.397 -2.684 -0.340 1.00 2.06 H new ATOM 0 HE2 MET A 648 16.824 -3.140 -1.962 1.00 2.06 H new ATOM 0 HE3 MET A 648 18.545 -2.772 -1.696 1.00 2.06 H new ATOM 1841 N ARG A 649 17.360 -3.253 -7.248 1.00 1.64 N ATOM 1842 CA ARG A 649 16.856 -4.043 -8.384 1.00 1.92 C ATOM 1843 C ARG A 649 17.192 -5.526 -8.201 1.00 2.08 C ATOM 1844 O ARG A 649 16.280 -6.353 -8.151 1.00 2.17 O ATOM 1845 CB ARG A 649 17.450 -3.472 -9.686 1.00 2.09 C ATOM 1846 CG ARG A 649 16.554 -3.588 -10.921 1.00 2.61 C ATOM 1847 CD ARG A 649 16.126 -5.008 -11.315 1.00 2.53 C ATOM 1848 NE ARG A 649 15.516 -4.958 -12.655 1.00 3.36 N ATOM 1849 CZ ARG A 649 15.036 -5.954 -13.371 1.00 3.72 C ATOM 1850 NH1 ARG A 649 15.252 -7.199 -13.063 1.00 3.58 N ATOM 1851 NH2 ARG A 649 14.336 -5.695 -14.434 1.00 4.88 N ATOM 0 H ARG A 649 17.907 -2.442 -7.538 1.00 1.64 H new ATOM 0 HA ARG A 649 15.770 -3.973 -8.437 1.00 1.92 H new ATOM 0 HB2 ARG A 649 17.687 -2.420 -9.527 1.00 2.09 H new ATOM 0 HB3 ARG A 649 18.391 -3.983 -9.891 1.00 2.09 H new ATOM 0 HG2 ARG A 649 15.656 -2.994 -10.750 1.00 2.61 H new ATOM 0 HG3 ARG A 649 17.076 -3.140 -11.767 1.00 2.61 H new ATOM 0 HD2 ARG A 649 16.987 -5.677 -11.316 1.00 2.53 H new ATOM 0 HD3 ARG A 649 15.415 -5.404 -10.590 1.00 2.53 H new ATOM 0 HE ARG A 649 15.458 -4.034 -13.083 1.00 3.36 H new ATOM 0 HH11 ARG A 649 15.810 -7.432 -12.242 1.00 3.58 H new ATOM 0 HH12 ARG A 649 14.863 -7.943 -13.643 1.00 3.58 H new ATOM 0 HH21 ARG A 649 14.163 -4.728 -14.707 1.00 4.88 H new ATOM 0 HH22 ARG A 649 13.960 -6.459 -14.995 1.00 4.88 H new ATOM 1865 N ARG A 650 18.478 -5.842 -7.990 1.00 2.16 N ATOM 1866 CA ARG A 650 18.989 -7.189 -7.709 1.00 2.36 C ATOM 1867 C ARG A 650 18.305 -7.837 -6.500 1.00 2.33 C ATOM 1868 O ARG A 650 17.909 -8.998 -6.583 1.00 2.60 O ATOM 1869 CB ARG A 650 20.521 -7.101 -7.564 1.00 2.42 C ATOM 1870 CG ARG A 650 21.203 -8.401 -7.101 1.00 2.45 C ATOM 1871 CD ARG A 650 21.481 -8.466 -5.585 1.00 1.98 C ATOM 1872 NE ARG A 650 22.523 -7.498 -5.195 1.00 2.79 N ATOM 1873 CZ ARG A 650 22.751 -6.950 -4.017 1.00 3.72 C ATOM 1874 NH1 ARG A 650 22.081 -7.241 -2.942 1.00 4.06 N ATOM 1875 NH2 ARG A 650 23.702 -6.070 -3.924 1.00 5.07 N ATOM 0 H ARG A 650 19.217 -5.139 -8.011 1.00 2.16 H new ATOM 0 HA ARG A 650 18.749 -7.852 -8.540 1.00 2.36 H new ATOM 0 HB2 ARG A 650 20.946 -6.807 -8.524 1.00 2.42 H new ATOM 0 HB3 ARG A 650 20.759 -6.310 -6.853 1.00 2.42 H new ATOM 0 HG2 ARG A 650 20.574 -9.247 -7.380 1.00 2.45 H new ATOM 0 HG3 ARG A 650 22.146 -8.514 -7.637 1.00 2.45 H new ATOM 0 HD2 ARG A 650 20.563 -8.259 -5.035 1.00 1.98 H new ATOM 0 HD3 ARG A 650 21.796 -9.473 -5.313 1.00 1.98 H new ATOM 0 HE ARG A 650 23.157 -7.212 -5.941 1.00 2.79 H new ATOM 0 HH11 ARG A 650 21.329 -7.929 -2.980 1.00 4.06 H new ATOM 0 HH12 ARG A 650 22.307 -6.781 -2.060 1.00 4.06 H new ATOM 0 HH21 ARG A 650 24.248 -5.820 -4.748 1.00 5.07 H new ATOM 0 HH22 ARG A 650 23.902 -5.629 -3.027 1.00 5.07 H new ATOM 1889 N ALA A 651 18.113 -7.089 -5.412 1.00 2.05 N ATOM 1890 CA ALA A 651 17.521 -7.577 -4.163 1.00 2.07 C ATOM 1891 C ALA A 651 16.112 -8.194 -4.324 1.00 2.19 C ATOM 1892 O ALA A 651 15.740 -9.059 -3.528 1.00 2.42 O ATOM 1893 CB ALA A 651 17.491 -6.411 -3.162 1.00 1.80 C ATOM 0 H ALA A 651 18.371 -6.103 -5.373 1.00 2.05 H new ATOM 0 HA ALA A 651 18.144 -8.396 -3.803 1.00 2.07 H new ATOM 0 HB1 ALA A 651 17.054 -6.749 -2.222 1.00 1.80 H new ATOM 0 HB2 ALA A 651 18.507 -6.058 -2.984 1.00 1.80 H new ATOM 0 HB3 ALA A 651 16.891 -5.597 -3.569 1.00 1.80 H new ATOM 1899 N PHE A 652 15.332 -7.773 -5.328 1.00 2.07 N ATOM 1900 CA PHE A 652 14.019 -8.353 -5.658 1.00 2.16 C ATOM 1901 C PHE A 652 14.024 -9.417 -6.768 1.00 2.56 C ATOM 1902 O PHE A 652 13.204 -10.336 -6.714 1.00 2.79 O ATOM 1903 CB PHE A 652 13.037 -7.224 -5.972 1.00 1.74 C ATOM 1904 CG PHE A 652 12.645 -6.431 -4.744 1.00 1.50 C ATOM 1905 CD1 PHE A 652 11.589 -6.855 -3.917 1.00 1.82 C ATOM 1906 CD2 PHE A 652 13.373 -5.281 -4.415 1.00 2.44 C ATOM 1907 CE1 PHE A 652 11.270 -6.122 -2.757 1.00 1.87 C ATOM 1908 CE2 PHE A 652 13.056 -4.543 -3.259 1.00 2.49 C ATOM 1909 CZ PHE A 652 12.008 -4.971 -2.422 1.00 1.65 C ATOM 0 H PHE A 652 15.598 -7.006 -5.946 1.00 2.07 H new ATOM 0 HA PHE A 652 13.702 -8.906 -4.774 1.00 2.16 H new ATOM 0 HB2 PHE A 652 13.484 -6.553 -6.705 1.00 1.74 H new ATOM 0 HB3 PHE A 652 12.141 -7.644 -6.429 1.00 1.74 H new ATOM 0 HD1 PHE A 652 11.024 -7.740 -4.171 1.00 1.82 H new ATOM 0 HD2 PHE A 652 14.183 -4.958 -5.052 1.00 2.44 H new ATOM 0 HE1 PHE A 652 10.457 -6.444 -2.123 1.00 1.87 H new ATOM 0 HE2 PHE A 652 13.615 -3.652 -3.015 1.00 2.49 H new ATOM 0 HZ PHE A 652 11.771 -4.418 -1.525 1.00 1.65 H new ATOM 1919 N GLU A 653 14.928 -9.369 -7.752 1.00 2.72 N ATOM 1920 CA GLU A 653 15.003 -10.441 -8.767 1.00 3.10 C ATOM 1921 C GLU A 653 15.646 -11.731 -8.227 1.00 3.45 C ATOM 1922 O GLU A 653 15.292 -12.831 -8.659 1.00 3.66 O ATOM 1923 CB GLU A 653 15.664 -9.987 -10.071 1.00 3.37 C ATOM 1924 CG GLU A 653 17.017 -9.333 -9.852 1.00 2.77 C ATOM 1925 CD GLU A 653 17.766 -9.163 -11.179 1.00 4.12 C ATOM 1926 OE1 GLU A 653 17.567 -8.144 -11.881 1.00 5.07 O ATOM 1927 OE2 GLU A 653 18.530 -10.085 -11.563 1.00 4.90 O ATOM 0 H GLU A 653 15.608 -8.618 -7.872 1.00 2.72 H new ATOM 0 HA GLU A 653 13.967 -10.679 -9.008 1.00 3.10 H new ATOM 0 HB2 GLU A 653 15.784 -10.847 -10.730 1.00 3.37 H new ATOM 0 HB3 GLU A 653 15.005 -9.284 -10.581 1.00 3.37 H new ATOM 0 HG2 GLU A 653 16.882 -8.360 -9.379 1.00 2.77 H new ATOM 0 HG3 GLU A 653 17.612 -9.940 -9.169 1.00 2.77 H new ATOM 1934 N THR A 654 16.534 -11.600 -7.234 1.00 3.52 N ATOM 1935 CA THR A 654 17.286 -12.706 -6.598 1.00 3.93 C ATOM 1936 C THR A 654 16.409 -13.574 -5.679 1.00 4.03 C ATOM 1937 O THR A 654 16.772 -14.692 -5.302 1.00 4.34 O ATOM 1938 CB THR A 654 18.500 -12.126 -5.853 1.00 3.93 C ATOM 1939 OG1 THR A 654 19.498 -13.106 -5.680 1.00 4.65 O ATOM 1940 CG2 THR A 654 18.133 -11.545 -4.492 1.00 3.42 C ATOM 0 H THR A 654 16.762 -10.691 -6.832 1.00 3.52 H new ATOM 0 HA THR A 654 17.633 -13.379 -7.382 1.00 3.93 H new ATOM 0 HB THR A 654 18.878 -11.315 -6.476 1.00 3.93 H new ATOM 0 HG1 THR A 654 20.261 -12.715 -5.206 1.00 4.65 H new ATOM 0 HG21 THR A 654 19.028 -11.150 -4.012 1.00 3.42 H new ATOM 0 HG22 THR A 654 17.407 -10.742 -4.623 1.00 3.42 H new ATOM 0 HG23 THR A 654 17.701 -12.327 -3.867 1.00 3.42 H new ATOM 1948 N VAL A 655 15.229 -13.049 -5.340 1.00 3.86 N ATOM 1949 CA VAL A 655 14.152 -13.700 -4.582 1.00 4.05 C ATOM 1950 C VAL A 655 12.993 -14.122 -5.491 1.00 4.19 C ATOM 1951 O VAL A 655 12.454 -15.214 -5.328 1.00 4.63 O ATOM 1952 CB VAL A 655 13.712 -12.790 -3.419 1.00 3.73 C ATOM 1953 CG1 VAL A 655 13.242 -11.419 -3.876 1.00 3.19 C ATOM 1954 CG2 VAL A 655 12.680 -13.457 -2.507 1.00 4.06 C ATOM 0 H VAL A 655 14.982 -12.095 -5.604 1.00 3.86 H new ATOM 0 HA VAL A 655 14.529 -14.626 -4.149 1.00 4.05 H new ATOM 0 HB VAL A 655 14.613 -12.630 -2.826 1.00 3.73 H new ATOM 0 HG11 VAL A 655 12.946 -10.828 -3.009 1.00 3.19 H new ATOM 0 HG12 VAL A 655 14.052 -10.913 -4.401 1.00 3.19 H new ATOM 0 HG13 VAL A 655 12.390 -11.531 -4.546 1.00 3.19 H new ATOM 0 HG21 VAL A 655 12.406 -12.771 -1.705 1.00 4.06 H new ATOM 0 HG22 VAL A 655 11.793 -13.711 -3.087 1.00 4.06 H new ATOM 0 HG23 VAL A 655 13.106 -14.364 -2.079 1.00 4.06 H new ATOM 1964 N ALA A 656 12.669 -13.330 -6.517 1.00 3.90 N ATOM 1965 CA ALA A 656 11.645 -13.650 -7.526 1.00 4.09 C ATOM 1966 C ALA A 656 11.894 -14.975 -8.276 1.00 4.71 C ATOM 1967 O ALA A 656 10.938 -15.647 -8.666 1.00 4.92 O ATOM 1968 CB ALA A 656 11.584 -12.505 -8.540 1.00 3.83 C ATOM 0 H ALA A 656 13.119 -12.428 -6.676 1.00 3.90 H new ATOM 0 HA ALA A 656 10.703 -13.773 -6.991 1.00 4.09 H new ATOM 0 HB1 ALA A 656 10.830 -12.727 -9.295 1.00 3.83 H new ATOM 0 HB2 ALA A 656 11.323 -11.579 -8.028 1.00 3.83 H new ATOM 0 HB3 ALA A 656 12.556 -12.393 -9.021 1.00 3.83 H new ATOM 1974 N ILE A 657 13.161 -15.356 -8.461 1.00 5.10 N ATOM 1975 CA ILE A 657 13.582 -16.629 -9.073 1.00 5.78 C ATOM 1976 C ILE A 657 13.469 -17.838 -8.114 1.00 6.05 C ATOM 1977 O ILE A 657 13.439 -18.993 -8.550 1.00 6.72 O ATOM 1978 CB ILE A 657 15.008 -16.440 -9.639 1.00 5.87 C ATOM 1979 CG1 ILE A 657 15.369 -17.573 -10.619 1.00 6.91 C ATOM 1980 CG2 ILE A 657 16.067 -16.289 -8.528 1.00 4.97 C ATOM 1981 CD1 ILE A 657 16.571 -17.241 -11.506 1.00 8.02 C ATOM 0 H ILE A 657 13.950 -14.772 -8.182 1.00 5.10 H new ATOM 0 HA ILE A 657 12.898 -16.877 -9.885 1.00 5.78 H new ATOM 0 HB ILE A 657 15.010 -15.502 -10.195 1.00 5.87 H new ATOM 0 HG12 ILE A 657 15.582 -18.480 -10.053 1.00 6.91 H new ATOM 0 HG13 ILE A 657 14.507 -17.787 -11.251 1.00 6.91 H new ATOM 0 HG21 ILE A 657 17.051 -16.159 -8.979 1.00 4.97 H new ATOM 0 HG22 ILE A 657 15.830 -15.419 -7.916 1.00 4.97 H new ATOM 0 HG23 ILE A 657 16.069 -17.182 -7.903 1.00 4.97 H new ATOM 0 HD11 ILE A 657 16.774 -18.079 -12.173 1.00 8.02 H new ATOM 0 HD12 ILE A 657 16.352 -16.352 -12.097 1.00 8.02 H new ATOM 0 HD13 ILE A 657 17.444 -17.056 -10.881 1.00 8.02 H new ATOM 1993 N ASP A 658 13.380 -17.585 -6.805 1.00 5.65 N ATOM 1994 CA ASP A 658 13.710 -18.531 -5.730 1.00 6.06 C ATOM 1995 C ASP A 658 12.517 -18.853 -4.803 1.00 5.98 C ATOM 1996 O ASP A 658 12.313 -20.006 -4.419 1.00 6.51 O ATOM 1997 CB ASP A 658 14.883 -17.896 -4.958 1.00 6.13 C ATOM 1998 CG ASP A 658 15.536 -18.791 -3.907 1.00 6.48 C ATOM 1999 OD1 ASP A 658 15.553 -20.030 -4.065 1.00 7.32 O ATOM 2000 OD2 ASP A 658 16.102 -18.240 -2.931 1.00 6.33 O ATOM 0 H ASP A 658 13.065 -16.682 -6.450 1.00 5.65 H new ATOM 0 HA ASP A 658 13.979 -19.499 -6.152 1.00 6.06 H new ATOM 0 HB2 ASP A 658 15.645 -17.591 -5.675 1.00 6.13 H new ATOM 0 HB3 ASP A 658 14.526 -16.990 -4.468 1.00 6.13 H new ATOM 2005 N ARG A 659 11.693 -17.855 -4.459 1.00 5.40 N ATOM 2006 CA ARG A 659 10.639 -17.925 -3.443 1.00 5.33 C ATOM 2007 C ARG A 659 9.435 -18.818 -3.790 1.00 5.40 C ATOM 2008 O ARG A 659 8.743 -19.286 -2.888 1.00 5.66 O ATOM 2009 CB ARG A 659 10.216 -16.466 -3.174 1.00 4.81 C ATOM 2010 CG ARG A 659 9.295 -15.871 -4.257 1.00 5.55 C ATOM 2011 CD ARG A 659 8.827 -14.447 -3.936 1.00 5.03 C ATOM 2012 NE ARG A 659 8.016 -13.894 -5.041 1.00 6.29 N ATOM 2013 CZ ARG A 659 6.806 -14.266 -5.424 1.00 7.17 C ATOM 2014 NH1 ARG A 659 6.064 -15.147 -4.824 1.00 7.26 N ATOM 2015 NH2 ARG A 659 6.281 -13.741 -6.481 1.00 8.47 N ATOM 0 H ARG A 659 11.746 -16.937 -4.901 1.00 5.40 H new ATOM 0 HA ARG A 659 11.041 -18.417 -2.557 1.00 5.33 H new ATOM 0 HB2 ARG A 659 9.707 -16.418 -2.212 1.00 4.81 H new ATOM 0 HB3 ARG A 659 11.110 -15.848 -3.093 1.00 4.81 H new ATOM 0 HG2 ARG A 659 9.822 -15.867 -5.211 1.00 5.55 H new ATOM 0 HG3 ARG A 659 8.423 -16.515 -4.377 1.00 5.55 H new ATOM 0 HD2 ARG A 659 8.241 -14.452 -3.017 1.00 5.03 H new ATOM 0 HD3 ARG A 659 9.692 -13.807 -3.759 1.00 5.03 H new ATOM 0 HE ARG A 659 8.441 -13.134 -5.572 1.00 6.29 H new ATOM 0 HH11 ARG A 659 6.405 -15.614 -3.984 1.00 7.26 H new ATOM 0 HH12 ARG A 659 5.140 -15.372 -5.193 1.00 7.26 H new ATOM 0 HH21 ARG A 659 6.799 -13.044 -7.015 1.00 8.47 H new ATOM 0 HH22 ARG A 659 5.348 -14.024 -6.781 1.00 8.47 H new ATOM 2029 N LEU A 660 9.149 -19.013 -5.081 1.00 5.30 N ATOM 2030 CA LEU A 660 7.827 -19.427 -5.573 1.00 5.26 C ATOM 2031 C LEU A 660 7.731 -20.933 -5.864 1.00 6.30 C ATOM 2032 O LEU A 660 6.708 -21.555 -5.562 1.00 6.33 O ATOM 2033 CB LEU A 660 7.508 -18.569 -6.813 1.00 5.08 C ATOM 2034 CG LEU A 660 6.187 -18.901 -7.530 1.00 5.27 C ATOM 2035 CD1 LEU A 660 4.964 -18.625 -6.660 1.00 4.82 C ATOM 2036 CD2 LEU A 660 6.089 -18.068 -8.803 1.00 6.38 C ATOM 0 H LEU A 660 9.836 -18.887 -5.824 1.00 5.30 H new ATOM 0 HA LEU A 660 7.083 -19.260 -4.794 1.00 5.26 H new ATOM 0 HB2 LEU A 660 7.484 -17.522 -6.511 1.00 5.08 H new ATOM 0 HB3 LEU A 660 8.325 -18.676 -7.527 1.00 5.08 H new ATOM 0 HG LEU A 660 6.195 -19.967 -7.757 1.00 5.27 H new ATOM 0 HD11 LEU A 660 4.059 -18.876 -7.214 1.00 4.82 H new ATOM 0 HD12 LEU A 660 5.016 -19.232 -5.756 1.00 4.82 H new ATOM 0 HD13 LEU A 660 4.942 -17.570 -6.388 1.00 4.82 H new ATOM 0 HD21 LEU A 660 5.156 -18.297 -9.317 1.00 6.38 H new ATOM 0 HD22 LEU A 660 6.112 -17.009 -8.547 1.00 6.38 H new ATOM 0 HD23 LEU A 660 6.930 -18.301 -9.456 1.00 6.38 H new ATOM 2048 N ASP A 661 8.772 -21.517 -6.458 1.00 7.35 N ATOM 2049 CA ASP A 661 8.784 -22.926 -6.870 1.00 8.58 C ATOM 2050 C ASP A 661 8.726 -23.913 -5.681 1.00 8.53 C ATOM 2051 O ASP A 661 9.065 -23.572 -4.542 1.00 8.12 O ATOM 2052 CB ASP A 661 9.993 -23.180 -7.787 1.00 9.88 C ATOM 2053 CG ASP A 661 9.896 -24.469 -8.606 1.00 11.02 C ATOM 2054 OD1 ASP A 661 8.778 -25.014 -8.762 1.00 11.24 O ATOM 2055 OD2 ASP A 661 10.940 -24.925 -9.126 1.00 11.96 O ATOM 0 H ASP A 661 9.639 -21.024 -6.670 1.00 7.35 H new ATOM 0 HA ASP A 661 7.869 -23.119 -7.430 1.00 8.58 H new ATOM 0 HB2 ASP A 661 10.102 -22.336 -8.469 1.00 9.88 H new ATOM 0 HB3 ASP A 661 10.896 -23.216 -7.178 1.00 9.88 H new ATOM 2060 N ARG A 662 8.304 -25.147 -5.964 1.00 9.38 N ATOM 2061 CA ARG A 662 7.798 -26.192 -5.047 1.00 9.85 C ATOM 2062 C ARG A 662 8.789 -26.809 -4.040 1.00 10.20 C ATOM 2063 O ARG A 662 8.489 -27.823 -3.406 1.00 11.05 O ATOM 2064 CB ARG A 662 7.007 -27.216 -5.884 1.00 10.99 C ATOM 2065 CG ARG A 662 7.877 -28.153 -6.737 1.00 11.85 C ATOM 2066 CD ARG A 662 7.059 -28.890 -7.809 1.00 13.13 C ATOM 2067 NE ARG A 662 5.995 -29.744 -7.241 1.00 13.34 N ATOM 2068 CZ ARG A 662 4.690 -29.661 -7.433 1.00 13.87 C ATOM 2069 NH1 ARG A 662 4.125 -28.728 -8.142 1.00 14.26 N ATOM 2070 NH2 ARG A 662 3.888 -30.539 -6.917 1.00 14.44 N ATOM 0 H ARG A 662 8.305 -25.479 -6.928 1.00 9.38 H new ATOM 0 HA ARG A 662 7.140 -25.692 -4.336 1.00 9.85 H new ATOM 0 HB2 ARG A 662 6.396 -27.820 -5.213 1.00 10.99 H new ATOM 0 HB3 ARG A 662 6.323 -26.678 -6.541 1.00 10.99 H new ATOM 0 HG2 ARG A 662 8.666 -27.575 -7.218 1.00 11.85 H new ATOM 0 HG3 ARG A 662 8.365 -28.882 -6.090 1.00 11.85 H new ATOM 0 HD2 ARG A 662 6.610 -28.159 -8.481 1.00 13.13 H new ATOM 0 HD3 ARG A 662 7.729 -29.506 -8.409 1.00 13.13 H new ATOM 0 HE ARG A 662 6.307 -30.492 -6.622 1.00 13.34 H new ATOM 0 HH11 ARG A 662 4.696 -28.008 -8.586 1.00 14.26 H new ATOM 0 HH12 ARG A 662 3.111 -28.716 -8.254 1.00 14.26 H new ATOM 0 HH21 ARG A 662 4.262 -31.304 -6.356 1.00 14.44 H new ATOM 0 HH22 ARG A 662 2.883 -30.465 -7.072 1.00 14.44 H new ATOM 2084 N ILE A 663 9.999 -26.265 -3.937 1.00 10.07 N ATOM 2085 CA ILE A 663 11.038 -26.660 -2.987 1.00 10.84 C ATOM 2086 C ILE A 663 10.759 -26.019 -1.623 1.00 10.91 C ATOM 2087 O ILE A 663 10.309 -24.877 -1.520 1.00 10.82 O ATOM 2088 CB ILE A 663 12.439 -26.268 -3.509 1.00 11.64 C ATOM 2089 CG1 ILE A 663 12.692 -26.624 -4.989 1.00 11.99 C ATOM 2090 CG2 ILE A 663 13.543 -26.869 -2.620 1.00 12.77 C ATOM 2091 CD1 ILE A 663 12.518 -28.103 -5.337 1.00 12.78 C ATOM 0 H ILE A 663 10.297 -25.500 -4.542 1.00 10.07 H new ATOM 0 HA ILE A 663 11.022 -27.744 -2.875 1.00 10.84 H new ATOM 0 HB ILE A 663 12.471 -25.180 -3.454 1.00 11.64 H new ATOM 0 HG12 ILE A 663 12.013 -26.038 -5.609 1.00 11.99 H new ATOM 0 HG13 ILE A 663 13.706 -26.321 -5.252 1.00 11.99 H new ATOM 0 HG21 ILE A 663 14.520 -26.579 -3.007 1.00 12.77 H new ATOM 0 HG22 ILE A 663 13.432 -26.498 -1.601 1.00 12.77 H new ATOM 0 HG23 ILE A 663 13.460 -27.956 -2.621 1.00 12.77 H new ATOM 0 HD11 ILE A 663 12.717 -28.253 -6.398 1.00 12.78 H new ATOM 0 HD12 ILE A 663 13.216 -28.700 -4.749 1.00 12.78 H new ATOM 0 HD13 ILE A 663 11.497 -28.412 -5.112 1.00 12.78 H new ATOM 2103 N GLY A 664 11.052 -26.773 -0.575 1.00 11.60 N ATOM 2104 CA GLY A 664 10.960 -26.348 0.827 1.00 12.29 C ATOM 2105 C GLY A 664 12.111 -25.414 1.213 1.00 13.10 C ATOM 2106 O GLY A 664 13.281 -25.795 1.116 1.00 14.41 O ATOM 0 H GLY A 664 11.373 -27.736 -0.674 1.00 11.60 H new ATOM 0 HA2 GLY A 664 10.009 -25.841 0.992 1.00 12.29 H new ATOM 0 HA3 GLY A 664 10.970 -27.225 1.474 1.00 12.29 H new ATOM 2110 N LYS A 665 11.798 -24.189 1.646 1.00 12.68 N ATOM 2111 CA LYS A 665 12.781 -23.105 1.835 1.00 13.76 C ATOM 2112 C LYS A 665 13.292 -23.070 3.278 1.00 14.97 C ATOM 2113 O LYS A 665 12.476 -23.019 4.200 1.00 15.13 O ATOM 2114 CB LYS A 665 12.194 -21.751 1.405 1.00 13.22 C ATOM 2115 CG LYS A 665 11.377 -21.744 0.095 1.00 12.26 C ATOM 2116 CD LYS A 665 12.115 -22.268 -1.146 1.00 12.33 C ATOM 2117 CE LYS A 665 13.207 -21.304 -1.612 1.00 13.43 C ATOM 2118 NZ LYS A 665 13.966 -21.862 -2.753 1.00 13.92 N ATOM 0 H LYS A 665 10.844 -23.914 1.880 1.00 12.68 H new ATOM 0 HA LYS A 665 13.638 -23.308 1.193 1.00 13.76 H new ATOM 0 HB2 LYS A 665 11.555 -21.385 2.208 1.00 13.22 H new ATOM 0 HB3 LYS A 665 13.014 -21.040 1.301 1.00 13.22 H new ATOM 0 HG2 LYS A 665 10.480 -22.345 0.243 1.00 12.26 H new ATOM 0 HG3 LYS A 665 11.048 -20.724 -0.103 1.00 12.26 H new ATOM 0 HD2 LYS A 665 12.559 -23.238 -0.921 1.00 12.33 H new ATOM 0 HD3 LYS A 665 11.400 -22.424 -1.954 1.00 12.33 H new ATOM 0 HE2 LYS A 665 12.757 -20.354 -1.901 1.00 13.43 H new ATOM 0 HE3 LYS A 665 13.888 -21.096 -0.787 1.00 13.43 H new ATOM 0 HZ1 LYS A 665 14.477 -21.097 -3.238 1.00 13.92 H new ATOM 0 HZ2 LYS A 665 14.647 -22.567 -2.405 1.00 13.92 H new ATOM 0 HZ3 LYS A 665 13.308 -22.315 -3.419 1.00 13.92 H new ATOM 2132 N LYS A 666 14.615 -23.065 3.499 1.00 16.08 N ATOM 2133 CA LYS A 666 15.179 -22.958 4.863 1.00 17.52 C ATOM 2134 C LYS A 666 14.994 -21.562 5.474 1.00 18.19 C ATOM 2135 O LYS A 666 14.827 -21.439 6.688 1.00 18.65 O ATOM 2136 CB LYS A 666 16.636 -23.461 4.927 1.00 18.65 C ATOM 2137 CG LYS A 666 17.701 -22.563 4.272 1.00 19.42 C ATOM 2138 CD LYS A 666 19.109 -23.078 4.609 1.00 20.53 C ATOM 2139 CE LYS A 666 20.202 -22.167 4.042 1.00 21.65 C ATOM 2140 NZ LYS A 666 21.548 -22.666 4.407 1.00 22.79 N ATOM 0 H LYS A 666 15.314 -23.133 2.760 1.00 16.08 H new ATOM 0 HA LYS A 666 14.598 -23.629 5.496 1.00 17.52 H new ATOM 0 HB2 LYS A 666 16.904 -23.599 5.975 1.00 18.65 H new ATOM 0 HB3 LYS A 666 16.679 -24.442 4.455 1.00 18.65 H new ATOM 0 HG2 LYS A 666 17.560 -22.548 3.191 1.00 19.42 H new ATOM 0 HG3 LYS A 666 17.588 -21.537 4.622 1.00 19.42 H new ATOM 0 HD2 LYS A 666 19.220 -23.148 5.691 1.00 20.53 H new ATOM 0 HD3 LYS A 666 19.232 -24.085 4.210 1.00 20.53 H new ATOM 0 HE2 LYS A 666 20.111 -22.115 2.957 1.00 21.65 H new ATOM 0 HE3 LYS A 666 20.070 -21.154 4.422 1.00 21.65 H new ATOM 0 HZ1 LYS A 666 22.272 -22.033 4.012 1.00 22.79 H new ATOM 0 HZ2 LYS A 666 21.639 -22.693 5.443 1.00 22.79 H new ATOM 0 HZ3 LYS A 666 21.679 -23.624 4.023 1.00 22.79 H new ATOM 2154 N ASN A 667 14.954 -20.526 4.636 1.00 18.48 N ATOM 2155 CA ASN A 667 14.674 -19.143 5.013 1.00 19.33 C ATOM 2156 C ASN A 667 13.224 -18.950 5.502 1.00 19.56 C ATOM 2157 O ASN A 667 12.267 -19.291 4.802 1.00 19.13 O ATOM 2158 CB ASN A 667 14.967 -18.261 3.789 1.00 19.65 C ATOM 2159 CG ASN A 667 14.652 -16.798 4.024 1.00 20.37 C ATOM 2160 OD1 ASN A 667 14.876 -16.247 5.093 1.00 21.07 O ATOM 2161 ND2 ASN A 667 14.144 -16.109 3.036 1.00 20.50 N ATOM 0 H ASN A 667 15.123 -20.633 3.636 1.00 18.48 H new ATOM 0 HA ASN A 667 15.309 -18.861 5.853 1.00 19.33 H new ATOM 0 HB2 ASN A 667 16.018 -18.362 3.519 1.00 19.65 H new ATOM 0 HB3 ASN A 667 14.384 -18.621 2.941 1.00 19.65 H new ATOM 0 HD21 ASN A 667 13.937 -15.118 3.159 1.00 20.50 H new ATOM 0 HD22 ASN A 667 13.955 -16.563 2.142 1.00 20.50 H new ATOM 2168 N SER A 668 13.080 -18.349 6.685 1.00 20.49 N ATOM 2169 CA SER A 668 11.795 -17.983 7.299 1.00 21.14 C ATOM 2170 C SER A 668 11.277 -16.612 6.821 1.00 21.67 C ATOM 2171 O SER A 668 11.761 -16.055 5.830 1.00 21.61 O ATOM 2172 CB SER A 668 11.936 -18.059 8.826 1.00 22.03 C ATOM 2173 OG SER A 668 12.303 -19.373 9.209 1.00 21.73 O ATOM 0 H SER A 668 13.880 -18.094 7.264 1.00 20.49 H new ATOM 0 HA SER A 668 11.036 -18.696 6.977 1.00 21.14 H new ATOM 0 HB2 SER A 668 12.688 -17.348 9.167 1.00 22.03 H new ATOM 0 HB3 SER A 668 10.995 -17.781 9.302 1.00 22.03 H new ATOM 0 HG SER A 668 12.394 -19.416 10.184 1.00 21.73 H new ATOM 2179 N ILE A 669 10.238 -16.073 7.467 1.00 22.38 N ATOM 2180 CA ILE A 669 9.586 -14.809 7.074 1.00 23.14 C ATOM 2181 C ILE A 669 10.505 -13.583 7.230 1.00 23.79 C ATOM 2182 O ILE A 669 11.420 -13.572 8.065 1.00 24.03 O ATOM 2183 CB ILE A 669 8.227 -14.618 7.789 1.00 24.06 C ATOM 2184 CG1 ILE A 669 8.379 -14.383 9.308 1.00 24.91 C ATOM 2185 CG2 ILE A 669 7.323 -15.828 7.491 1.00 23.66 C ATOM 2186 CD1 ILE A 669 7.068 -14.036 10.021 1.00 26.11 C ATOM 0 H ILE A 669 9.817 -16.505 8.290 1.00 22.38 H new ATOM 0 HA ILE A 669 9.380 -14.890 6.007 1.00 23.14 H new ATOM 0 HB ILE A 669 7.762 -13.713 7.397 1.00 24.06 H new ATOM 0 HG12 ILE A 669 8.802 -15.279 9.763 1.00 24.91 H new ATOM 0 HG13 ILE A 669 9.093 -13.576 9.470 1.00 24.91 H new ATOM 0 HG21 ILE A 669 6.364 -15.698 7.993 1.00 23.66 H new ATOM 0 HG22 ILE A 669 7.162 -15.906 6.416 1.00 23.66 H new ATOM 0 HG23 ILE A 669 7.802 -16.738 7.853 1.00 23.66 H new ATOM 0 HD11 ILE A 669 7.260 -13.886 11.083 1.00 26.11 H new ATOM 0 HD12 ILE A 669 6.653 -13.123 9.595 1.00 26.11 H new ATOM 0 HD13 ILE A 669 6.357 -14.852 9.892 1.00 26.11 H new ATOM 2198 N LEU A 670 10.256 -12.549 6.420 1.00 24.27 N ATOM 2199 CA LEU A 670 11.032 -11.318 6.363 1.00 25.10 C ATOM 2200 C LEU A 670 10.642 -10.351 7.497 1.00 26.46 C ATOM 2201 O LEU A 670 9.463 -10.194 7.821 1.00 26.87 O ATOM 2202 CB LEU A 670 10.836 -10.706 4.962 1.00 24.94 C ATOM 2203 CG LEU A 670 11.644 -9.425 4.724 1.00 25.72 C ATOM 2204 CD1 LEU A 670 13.155 -9.674 4.763 1.00 26.09 C ATOM 2205 CD2 LEU A 670 11.304 -8.803 3.373 1.00 25.57 C ATOM 0 H LEU A 670 9.476 -12.552 5.762 1.00 24.27 H new ATOM 0 HA LEU A 670 12.091 -11.526 6.518 1.00 25.10 H new ATOM 0 HB2 LEU A 670 11.116 -11.445 4.211 1.00 24.94 H new ATOM 0 HB3 LEU A 670 9.778 -10.489 4.816 1.00 24.94 H new ATOM 0 HG LEU A 670 11.372 -8.747 5.533 1.00 25.72 H new ATOM 0 HD11 LEU A 670 13.683 -8.736 4.589 1.00 26.09 H new ATOM 0 HD12 LEU A 670 13.433 -10.071 5.739 1.00 26.09 H new ATOM 0 HD13 LEU A 670 13.426 -10.392 3.989 1.00 26.09 H new ATOM 0 HD21 LEU A 670 11.892 -7.896 3.232 1.00 25.57 H new ATOM 0 HD22 LEU A 670 11.534 -9.512 2.578 1.00 25.57 H new ATOM 0 HD23 LEU A 670 10.243 -8.556 3.343 1.00 25.57 H new ATOM 2217 N LEU A 671 11.651 -9.682 8.064 1.00 27.28 N ATOM 2218 CA LEU A 671 11.546 -8.748 9.192 1.00 28.76 C ATOM 2219 C LEU A 671 12.563 -7.590 9.055 1.00 29.68 C ATOM 2220 O LEU A 671 13.337 -7.538 8.090 1.00 29.15 O ATOM 2221 CB LEU A 671 11.745 -9.556 10.502 1.00 29.02 C ATOM 2222 CG LEU A 671 10.685 -9.367 11.607 1.00 30.10 C ATOM 2223 CD1 LEU A 671 10.568 -7.924 12.098 1.00 31.51 C ATOM 2224 CD2 LEU A 671 9.300 -9.845 11.165 1.00 29.50 C ATOM 0 H LEU A 671 12.611 -9.781 7.733 1.00 27.28 H new ATOM 0 HA LEU A 671 10.562 -8.279 9.207 1.00 28.76 H new ATOM 0 HB2 LEU A 671 11.782 -10.615 10.245 1.00 29.02 H new ATOM 0 HB3 LEU A 671 12.718 -9.294 10.917 1.00 29.02 H new ATOM 0 HG LEU A 671 11.041 -9.982 12.433 1.00 30.10 H new ATOM 0 HD11 LEU A 671 9.805 -7.864 12.874 1.00 31.51 H new ATOM 0 HD12 LEU A 671 11.526 -7.600 12.505 1.00 31.51 H new ATOM 0 HD13 LEU A 671 10.290 -7.278 11.265 1.00 31.51 H new ATOM 0 HD21 LEU A 671 8.587 -9.692 11.975 1.00 29.50 H new ATOM 0 HD22 LEU A 671 8.982 -9.279 10.290 1.00 29.50 H new ATOM 0 HD23 LEU A 671 9.344 -10.905 10.915 1.00 29.50 H new ATOM 2236 N HIS A 672 12.566 -6.675 10.028 1.00 31.19 N ATOM 2237 CA HIS A 672 13.515 -5.565 10.193 1.00 32.46 C ATOM 2238 C HIS A 672 14.842 -6.039 10.808 1.00 32.66 C ATOM 2239 O HIS A 672 14.802 -6.679 11.882 1.00 32.88 O ATOM 2240 CB HIS A 672 12.816 -4.482 11.043 1.00 33.85 C ATOM 2241 CG HIS A 672 13.469 -3.118 11.012 1.00 35.25 C ATOM 2242 ND1 HIS A 672 13.012 -2.018 10.326 1.00 35.59 N ATOM 2243 CD2 HIS A 672 14.577 -2.714 11.710 1.00 36.55 C ATOM 2244 CE1 HIS A 672 13.829 -0.985 10.581 1.00 37.02 C ATOM 2245 NE2 HIS A 672 14.808 -1.355 11.427 1.00 37.64 N ATOM 0 H HIS A 672 11.864 -6.688 10.768 1.00 31.19 H new ATOM 0 HA HIS A 672 13.787 -5.146 9.224 1.00 32.46 H new ATOM 0 HB2 HIS A 672 11.786 -4.382 10.700 1.00 33.85 H new ATOM 0 HB3 HIS A 672 12.776 -4.824 12.077 1.00 33.85 H new ATOM 0 HD2 HIS A 672 15.172 -3.333 12.366 1.00 36.55 H new ATOM 0 HE1 HIS A 672 13.717 0.005 10.165 1.00 37.02 H new ATOM 0 HE2 HIS A 672 15.562 -0.771 11.789 1.00 37.64 H new TER 2253 HIS A 672