USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 956 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 HIS : no HD1:sc=-0.000127 X(o=-0.00013,f=0) USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 596 THR OG1 : rot -130:sc= -0.491 USER MOD Single : A 597 GLN : amide:sc= -1.2! K(o=-1.2!,f=0) USER MOD Single : A 601 SER OG : rot -25:sc= 1.12 USER MOD Single : A 602 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 605 HIS : no HD1:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.096) USER MOD Single : A 614 THR OG1 : rot 180:sc= 0 USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 627 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 631 TYR OH : rot -33:sc= 0.957 USER MOD Single : A 633 LYS NZ :NH3+ -124:sc= 0.0898 (180deg=-2.9!) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 MET CE :methyl -123:sc= -2.41! (180deg=-3.34!) USER MOD Single : A 640 TYR OH : rot -73:sc= 0.164 USER MOD Single : A 642 SER OG : rot 90:sc= 0.843 USER MOD Single : A 644 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 645 SER OG : rot 180:sc= -0.0199 USER MOD Single : A 649 TYR OH : rot 180:sc= 0 USER MOD Single : A 650 TYR OH : rot 180:sc= -0.896 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 656 LYS NZ :NH3+ 171:sc= -0.0156 (180deg=-0.177) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 178:sc= 0.937 (180deg=0.858) USER MOD Single : A 661 GLN : amide:sc=-0.00242 K(o=-0.0024,f=-0.82) USER MOD Single : A 662 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 667 LYS NZ :NH3+ -134:sc= 0.27 (180deg=-0.0279) USER MOD Single : A 670 SER OG : rot -101:sc= 0.911 USER MOD Single : B 520 SER OG : rot 180:sc= 0 USER MOD Single : B 523 TYR OH : rot 180:sc= 0 USER MOD Single : B 525 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : B 529 SER OG : rot 180:sc= 0 USER MOD Single : B 535 SER OG : rot -90:sc= 0.392 USER MOD Single : B 536 SER OG : rot -70:sc= 0.573 USER MOD Single : B 540 MET CE :methyl 172:sc= 0 (180deg=-0.0849) USER MOD Single : B 543 SER OG : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot -39:sc= 0.497 USER MOD Single : B 548 GLN : amide:sc= 0.284 X(o=0.28,f=-0.19) USER MOD Single : B 550 SER OG : rot 180:sc= 0 USER MOD Single : B 551 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 586 26.101 -2.436 -9.284 1.00 25.00 N ATOM 2 CA GLY A 586 25.310 -2.543 -8.028 1.00 25.00 C ATOM 3 C GLY A 586 26.102 -3.164 -6.894 1.00 25.00 C ATOM 4 O GLY A 586 26.576 -4.298 -7.012 1.00 25.00 O ATOM 0 HA2 GLY A 586 24.972 -1.551 -7.730 1.00 25.00 H new ATOM 0 HA3 GLY A 586 24.418 -3.141 -8.214 1.00 25.00 H new ATOM 10 N VAL A 587 26.242 -2.413 -5.794 1.00 25.00 N ATOM 11 CA VAL A 587 26.984 -2.877 -4.614 1.00 25.00 C ATOM 12 C VAL A 587 26.036 -3.603 -3.646 1.00 25.00 C ATOM 13 O VAL A 587 24.963 -3.089 -3.313 1.00 25.00 O ATOM 14 CB VAL A 587 27.704 -1.699 -3.877 1.00 25.00 C ATOM 15 CG1 VAL A 587 28.455 -2.182 -2.635 1.00 25.00 C ATOM 16 CG2 VAL A 587 28.667 -0.965 -4.809 1.00 25.00 C ATOM 0 H VAL A 587 25.849 -1.477 -5.696 1.00 25.00 H new ATOM 0 HA VAL A 587 27.752 -3.569 -4.959 1.00 25.00 H new ATOM 0 HB VAL A 587 26.925 -1.006 -3.560 1.00 25.00 H new ATOM 0 HG11 VAL A 587 28.941 -1.335 -2.151 1.00 25.00 H new ATOM 0 HG12 VAL A 587 27.752 -2.642 -1.940 1.00 25.00 H new ATOM 0 HG13 VAL A 587 29.208 -2.914 -2.927 1.00 25.00 H new ATOM 0 HG21 VAL A 587 29.151 -0.153 -4.266 1.00 25.00 H new ATOM 0 HG22 VAL A 587 29.424 -1.661 -5.171 1.00 25.00 H new ATOM 0 HG23 VAL A 587 28.114 -0.557 -5.655 1.00 25.00 H new ATOM 26 N ARG A 588 26.448 -4.800 -3.211 1.00 25.00 N ATOM 27 CA ARG A 588 25.652 -5.619 -2.289 1.00 25.00 C ATOM 28 C ARG A 588 26.013 -5.332 -0.825 1.00 25.00 C ATOM 29 O ARG A 588 27.192 -5.315 -0.457 1.00 25.00 O ATOM 30 CB ARG A 588 25.808 -7.124 -2.615 1.00 25.00 C ATOM 31 CG ARG A 588 24.852 -8.060 -1.866 1.00 25.00 C ATOM 32 CD ARG A 588 24.972 -9.501 -2.352 1.00 25.00 C ATOM 33 NE ARG A 588 26.246 -10.122 -1.954 1.00 25.00 N ATOM 34 CZ ARG A 588 26.609 -11.381 -2.243 1.00 25.00 C ATOM 35 NH1 ARG A 588 25.810 -12.189 -2.939 1.00 25.00 N ATOM 36 NH2 ARG A 588 27.784 -11.832 -1.830 1.00 25.00 N ATOM 0 H ARG A 588 27.334 -5.225 -3.485 1.00 25.00 H new ATOM 0 HA ARG A 588 24.605 -5.348 -2.426 1.00 25.00 H new ATOM 0 HB2 ARG A 588 25.662 -7.264 -3.686 1.00 25.00 H new ATOM 0 HB3 ARG A 588 26.832 -7.423 -2.391 1.00 25.00 H new ATOM 0 HG2 ARG A 588 25.065 -8.018 -0.798 1.00 25.00 H new ATOM 0 HG3 ARG A 588 23.827 -7.715 -2.000 1.00 25.00 H new ATOM 0 HD2 ARG A 588 24.144 -10.087 -1.952 1.00 25.00 H new ATOM 0 HD3 ARG A 588 24.883 -9.524 -3.438 1.00 25.00 H new ATOM 0 HE ARG A 588 26.902 -9.553 -1.419 1.00 25.00 H new ATOM 0 HH11 ARG A 588 24.903 -11.854 -3.263 1.00 25.00 H new ATOM 0 HH12 ARG A 588 26.106 -13.143 -3.148 1.00 25.00 H new ATOM 0 HH21 ARG A 588 28.405 -11.224 -1.297 1.00 25.00 H new ATOM 0 HH22 ARG A 588 28.068 -12.788 -2.045 1.00 25.00 H new ATOM 50 N LYS A 589 24.981 -5.102 -0.004 1.00 25.00 N ATOM 51 CA LYS A 589 25.162 -4.817 1.423 1.00 25.00 C ATOM 52 C LYS A 589 24.543 -5.926 2.291 1.00 25.00 C ATOM 53 O LYS A 589 24.084 -6.943 1.758 1.00 25.00 O ATOM 54 CB LYS A 589 24.569 -3.439 1.787 1.00 25.00 C ATOM 55 CG LYS A 589 25.223 -2.246 1.086 1.00 25.00 C ATOM 56 CD LYS A 589 24.573 -0.921 1.469 1.00 25.00 C ATOM 57 CE LYS A 589 25.155 0.236 0.674 1.00 25.00 C ATOM 58 NZ LYS A 589 24.482 1.525 0.995 1.00 25.00 N ATOM 0 H LYS A 589 24.007 -5.108 -0.307 1.00 25.00 H new ATOM 0 HA LYS A 589 26.232 -4.790 1.627 1.00 25.00 H new ATOM 0 HB2 LYS A 589 23.506 -3.443 1.547 1.00 25.00 H new ATOM 0 HB3 LYS A 589 24.652 -3.298 2.865 1.00 25.00 H new ATOM 0 HG2 LYS A 589 26.283 -2.215 1.340 1.00 25.00 H new ATOM 0 HG3 LYS A 589 25.158 -2.381 0.006 1.00 25.00 H new ATOM 0 HD2 LYS A 589 23.498 -0.978 1.296 1.00 25.00 H new ATOM 0 HD3 LYS A 589 24.715 -0.740 2.534 1.00 25.00 H new ATOM 0 HE2 LYS A 589 26.221 0.321 0.884 1.00 25.00 H new ATOM 0 HE3 LYS A 589 25.056 0.030 -0.392 1.00 25.00 H new ATOM 0 HZ1 LYS A 589 24.908 2.289 0.432 1.00 25.00 H new ATOM 0 HZ2 LYS A 589 23.469 1.453 0.771 1.00 25.00 H new ATOM 0 HZ3 LYS A 589 24.598 1.735 2.007 1.00 25.00 H new ATOM 72 N GLY A 590 24.533 -5.732 3.622 1.00 25.00 N ATOM 73 CA GLY A 590 24.016 -6.747 4.546 1.00 25.00 C ATOM 74 C GLY A 590 22.514 -6.996 4.420 1.00 25.00 C ATOM 75 O GLY A 590 22.062 -8.140 4.536 1.00 25.00 O ATOM 0 H GLY A 590 24.876 -4.885 4.076 1.00 25.00 H new ATOM 0 HA2 GLY A 590 24.545 -7.684 4.373 1.00 25.00 H new ATOM 0 HA3 GLY A 590 24.238 -6.440 5.568 1.00 25.00 H new ATOM 79 N TRP A 591 21.751 -5.924 4.161 1.00 25.00 N ATOM 80 CA TRP A 591 20.281 -5.997 4.063 1.00 25.00 C ATOM 81 C TRP A 591 19.810 -6.762 2.817 1.00 25.00 C ATOM 82 O TRP A 591 18.772 -7.422 2.848 1.00 25.00 O ATOM 83 CB TRP A 591 19.665 -4.581 4.108 1.00 25.00 C ATOM 84 CG TRP A 591 19.770 -3.771 2.831 1.00 25.00 C ATOM 85 CD1 TRP A 591 20.831 -3.013 2.415 1.00 25.00 C ATOM 86 CD2 TRP A 591 18.754 -3.623 1.822 1.00 25.00 C ATOM 87 NE1 TRP A 591 20.546 -2.421 1.207 1.00 25.00 N ATOM 88 CE2 TRP A 591 19.278 -2.777 0.826 1.00 25.00 C ATOM 89 CE3 TRP A 591 17.458 -4.127 1.661 1.00 25.00 C ATOM 90 CZ2 TRP A 591 18.552 -2.424 -0.311 1.00 25.00 C ATOM 91 CZ3 TRP A 591 16.739 -3.774 0.534 1.00 25.00 C ATOM 92 CH2 TRP A 591 17.288 -2.930 -0.439 1.00 25.00 C ATOM 0 H TRP A 591 22.129 -4.988 4.014 1.00 25.00 H new ATOM 0 HA TRP A 591 19.930 -6.562 4.926 1.00 25.00 H new ATOM 0 HB2 TRP A 591 18.611 -4.673 4.371 1.00 25.00 H new ATOM 0 HB3 TRP A 591 20.147 -4.022 4.910 1.00 25.00 H new ATOM 0 HD1 TRP A 591 21.758 -2.897 2.957 1.00 25.00 H new ATOM 0 HE1 TRP A 591 21.176 -1.816 0.680 1.00 25.00 H new ATOM 0 HE3 TRP A 591 17.027 -4.781 2.405 1.00 25.00 H new ATOM 0 HZ2 TRP A 591 18.973 -1.774 -1.064 1.00 25.00 H new ATOM 0 HZ3 TRP A 591 15.737 -4.156 0.402 1.00 25.00 H new ATOM 0 HH2 TRP A 591 16.701 -2.673 -1.309 1.00 25.00 H new ATOM 103 N HIS A 592 20.591 -6.676 1.737 1.00 25.00 N ATOM 104 CA HIS A 592 20.295 -7.391 0.487 1.00 25.00 C ATOM 105 C HIS A 592 20.606 -8.901 0.609 1.00 25.00 C ATOM 106 O HIS A 592 20.189 -9.696 -0.239 1.00 25.00 O ATOM 107 CB HIS A 592 21.097 -6.757 -0.668 1.00 25.00 C ATOM 108 CG HIS A 592 20.271 -6.026 -1.695 1.00 25.00 C ATOM 109 ND1 HIS A 592 20.490 -4.710 -2.043 1.00 25.00 N ATOM 110 CD2 HIS A 592 19.227 -6.443 -2.454 1.00 25.00 C ATOM 111 CE1 HIS A 592 19.617 -4.348 -2.967 1.00 25.00 C ATOM 112 NE2 HIS A 592 18.842 -5.382 -3.234 1.00 25.00 N ATOM 0 H HIS A 592 21.441 -6.114 1.701 1.00 25.00 H new ATOM 0 HA HIS A 592 19.229 -7.300 0.279 1.00 25.00 H new ATOM 0 HB2 HIS A 592 21.823 -6.062 -0.247 1.00 25.00 H new ATOM 0 HB3 HIS A 592 21.662 -7.542 -1.171 1.00 25.00 H new ATOM 0 HD2 HIS A 592 18.782 -7.427 -2.446 1.00 25.00 H new ATOM 0 HE1 HIS A 592 19.550 -3.372 -3.425 1.00 25.00 H new ATOM 0 HE2 HIS A 592 18.079 -5.391 -3.911 1.00 25.00 H new ATOM 121 N GLU A 593 21.327 -9.279 1.675 1.00 25.00 N ATOM 122 CA GLU A 593 21.735 -10.672 1.898 1.00 25.00 C ATOM 123 C GLU A 593 20.653 -11.494 2.614 1.00 25.00 C ATOM 124 O GLU A 593 20.594 -12.716 2.444 1.00 25.00 O ATOM 125 CB GLU A 593 23.043 -10.725 2.693 1.00 25.00 C ATOM 126 CG GLU A 593 24.247 -10.209 1.921 1.00 25.00 C ATOM 127 CD GLU A 593 25.377 -11.218 1.852 1.00 25.00 C ATOM 128 OE1 GLU A 593 25.713 -11.805 2.902 1.00 25.00 O ATOM 129 OE2 GLU A 593 25.926 -11.420 0.748 1.00 25.00 O ATOM 0 H GLU A 593 21.641 -8.634 2.400 1.00 25.00 H new ATOM 0 HA GLU A 593 21.886 -11.119 0.915 1.00 25.00 H new ATOM 0 HB2 GLU A 593 22.928 -10.139 3.605 1.00 25.00 H new ATOM 0 HB3 GLU A 593 23.232 -11.754 2.998 1.00 25.00 H new ATOM 0 HG2 GLU A 593 23.939 -9.946 0.909 1.00 25.00 H new ATOM 0 HG3 GLU A 593 24.610 -9.295 2.391 1.00 25.00 H new ATOM 136 N HIS A 594 19.803 -10.826 3.409 1.00 25.00 N ATOM 137 CA HIS A 594 18.737 -11.514 4.154 1.00 25.00 C ATOM 138 C HIS A 594 17.340 -11.268 3.569 1.00 25.00 C ATOM 139 O HIS A 594 16.439 -12.089 3.774 1.00 25.00 O ATOM 140 CB HIS A 594 18.750 -11.151 5.654 1.00 25.00 C ATOM 141 CG HIS A 594 19.986 -11.538 6.414 1.00 25.00 C ATOM 142 ND1 HIS A 594 20.315 -12.847 6.690 1.00 25.00 N ATOM 143 CD2 HIS A 594 20.947 -10.781 6.992 1.00 25.00 C ATOM 144 CE1 HIS A 594 21.421 -12.879 7.408 1.00 25.00 C ATOM 145 NE2 HIS A 594 21.826 -11.638 7.606 1.00 25.00 N ATOM 0 H HIS A 594 19.832 -9.817 3.552 1.00 25.00 H new ATOM 0 HA HIS A 594 18.956 -12.577 4.050 1.00 25.00 H new ATOM 0 HB2 HIS A 594 18.612 -10.074 5.748 1.00 25.00 H new ATOM 0 HB3 HIS A 594 17.892 -11.625 6.130 1.00 25.00 H new ATOM 0 HD2 HIS A 594 21.011 -9.703 6.974 1.00 25.00 H new ATOM 0 HE1 HIS A 594 21.912 -13.769 7.772 1.00 25.00 H new ATOM 0 HE2 HIS A 594 22.656 -11.361 8.130 1.00 25.00 H new ATOM 154 N VAL A 595 17.154 -10.152 2.841 1.00 25.00 N ATOM 155 CA VAL A 595 15.845 -9.844 2.240 1.00 25.00 C ATOM 156 C VAL A 595 15.619 -10.700 0.985 1.00 25.00 C ATOM 157 O VAL A 595 16.458 -10.734 0.079 1.00 25.00 O ATOM 158 CB VAL A 595 15.675 -8.320 1.911 1.00 25.00 C ATOM 159 CG1 VAL A 595 14.421 -8.035 1.075 1.00 25.00 C ATOM 160 CG2 VAL A 595 15.619 -7.501 3.192 1.00 25.00 C ATOM 0 H VAL A 595 17.880 -9.460 2.657 1.00 25.00 H new ATOM 0 HA VAL A 595 15.086 -10.090 2.982 1.00 25.00 H new ATOM 0 HB VAL A 595 16.544 -8.031 1.320 1.00 25.00 H new ATOM 0 HG11 VAL A 595 14.352 -6.966 0.876 1.00 25.00 H new ATOM 0 HG12 VAL A 595 14.482 -8.577 0.131 1.00 25.00 H new ATOM 0 HG13 VAL A 595 13.537 -8.360 1.623 1.00 25.00 H new ATOM 0 HG21 VAL A 595 15.501 -6.446 2.945 1.00 25.00 H new ATOM 0 HG22 VAL A 595 14.773 -7.829 3.797 1.00 25.00 H new ATOM 0 HG23 VAL A 595 16.543 -7.641 3.754 1.00 25.00 H new ATOM 170 N THR A 596 14.474 -11.383 0.963 1.00 25.00 N ATOM 171 CA THR A 596 14.123 -12.304 -0.119 1.00 25.00 C ATOM 172 C THR A 596 12.961 -11.767 -0.955 1.00 25.00 C ATOM 173 O THR A 596 12.500 -10.641 -0.744 1.00 25.00 O ATOM 174 CB THR A 596 13.726 -13.702 0.427 1.00 25.00 C ATOM 175 OG1 THR A 596 12.519 -13.612 1.196 1.00 25.00 O ATOM 176 CG2 THR A 596 14.820 -14.301 1.291 1.00 25.00 C ATOM 0 H THR A 596 13.765 -11.314 1.693 1.00 25.00 H new ATOM 0 HA THR A 596 15.012 -12.396 -0.743 1.00 25.00 H new ATOM 0 HB THR A 596 13.572 -14.352 -0.435 1.00 25.00 H new ATOM 0 HG1 THR A 596 12.647 -14.057 2.060 1.00 25.00 H new ATOM 0 HG21 THR A 596 14.503 -15.279 1.653 1.00 25.00 H new ATOM 0 HG22 THR A 596 15.730 -14.410 0.702 1.00 25.00 H new ATOM 0 HG23 THR A 596 15.014 -13.645 2.140 1.00 25.00 H new ATOM 184 N GLN A 597 12.499 -12.586 -1.909 1.00 25.00 N ATOM 185 CA GLN A 597 11.253 -12.329 -2.634 1.00 25.00 C ATOM 186 C GLN A 597 10.048 -12.582 -1.713 1.00 25.00 C ATOM 187 O GLN A 597 8.939 -12.106 -1.979 1.00 25.00 O ATOM 188 CB GLN A 597 11.144 -13.217 -3.891 1.00 25.00 C ATOM 189 CG GLN A 597 12.102 -12.860 -5.028 1.00 25.00 C ATOM 190 CD GLN A 597 11.918 -13.712 -6.277 1.00 25.00 C ATOM 191 OE1 GLN A 597 12.643 -13.557 -7.260 1.00 25.00 O ATOM 192 NE2 GLN A 597 10.951 -14.623 -6.239 1.00 25.00 N ATOM 0 H GLN A 597 12.977 -13.440 -2.197 1.00 25.00 H new ATOM 0 HA GLN A 597 11.257 -11.286 -2.952 1.00 25.00 H new ATOM 0 HB2 GLN A 597 11.321 -14.253 -3.601 1.00 25.00 H new ATOM 0 HB3 GLN A 597 10.123 -13.161 -4.268 1.00 25.00 H new ATOM 0 HG2 GLN A 597 11.964 -11.811 -5.291 1.00 25.00 H new ATOM 0 HG3 GLN A 597 13.127 -12.967 -4.674 1.00 25.00 H new ATOM 0 HE21 GLN A 597 10.373 -14.718 -5.404 1.00 25.00 H new ATOM 0 HE22 GLN A 597 10.787 -15.227 -7.045 1.00 25.00 H new ATOM 201 N ASP A 598 10.295 -13.327 -0.616 1.00 25.00 N ATOM 202 CA ASP A 598 9.259 -13.669 0.362 1.00 25.00 C ATOM 203 C ASP A 598 8.956 -12.502 1.311 1.00 25.00 C ATOM 204 O ASP A 598 7.800 -12.318 1.703 1.00 25.00 O ATOM 205 CB ASP A 598 9.673 -14.908 1.164 1.00 25.00 C ATOM 206 CG ASP A 598 9.847 -16.140 0.294 1.00 25.00 C ATOM 207 OD1 ASP A 598 8.951 -16.416 -0.531 1.00 25.00 O ATOM 208 OD2 ASP A 598 10.881 -16.828 0.436 1.00 25.00 O ATOM 0 H ASP A 598 11.216 -13.704 -0.390 1.00 25.00 H new ATOM 0 HA ASP A 598 8.346 -13.886 -0.193 1.00 25.00 H new ATOM 0 HB2 ASP A 598 10.608 -14.702 1.686 1.00 25.00 H new ATOM 0 HB3 ASP A 598 8.920 -15.110 1.926 1.00 25.00 H new ATOM 213 N LEU A 599 9.992 -11.715 1.687 1.00 25.00 N ATOM 214 CA LEU A 599 9.779 -10.485 2.473 1.00 25.00 C ATOM 215 C LEU A 599 8.934 -9.468 1.703 1.00 25.00 C ATOM 216 O LEU A 599 7.942 -8.968 2.227 1.00 25.00 O ATOM 217 CB LEU A 599 11.116 -9.827 2.897 1.00 25.00 C ATOM 218 CG LEU A 599 11.034 -8.572 3.793 1.00 25.00 C ATOM 219 CD1 LEU A 599 10.322 -8.910 5.088 1.00 25.00 C ATOM 220 CD2 LEU A 599 12.402 -8.004 4.149 1.00 25.00 C ATOM 0 H LEU A 599 10.968 -11.909 1.461 1.00 25.00 H new ATOM 0 HA LEU A 599 9.242 -10.786 3.372 1.00 25.00 H new ATOM 0 HB2 LEU A 599 11.710 -10.577 3.420 1.00 25.00 H new ATOM 0 HB3 LEU A 599 11.663 -9.561 1.992 1.00 25.00 H new ATOM 0 HG LEU A 599 10.490 -7.822 3.219 1.00 25.00 H new ATOM 0 HD11 LEU A 599 10.267 -8.021 5.716 1.00 25.00 H new ATOM 0 HD12 LEU A 599 9.314 -9.261 4.868 1.00 25.00 H new ATOM 0 HD13 LEU A 599 10.872 -9.691 5.613 1.00 25.00 H new ATOM 0 HD21 LEU A 599 12.278 -7.124 4.780 1.00 25.00 H new ATOM 0 HD22 LEU A 599 12.980 -8.756 4.686 1.00 25.00 H new ATOM 0 HD23 LEU A 599 12.929 -7.725 3.236 1.00 25.00 H new ATOM 232 N ARG A 600 9.304 -9.215 0.436 1.00 25.00 N ATOM 233 CA ARG A 600 8.650 -8.189 -0.408 1.00 25.00 C ATOM 234 C ARG A 600 7.140 -8.423 -0.532 1.00 25.00 C ATOM 235 O ARG A 600 6.365 -7.475 -0.683 1.00 25.00 O ATOM 236 CB ARG A 600 9.267 -8.176 -1.816 1.00 25.00 C ATOM 237 CG ARG A 600 10.692 -7.645 -1.863 1.00 25.00 C ATOM 238 CD ARG A 600 11.425 -8.067 -3.131 1.00 25.00 C ATOM 239 NE ARG A 600 11.079 -7.228 -4.288 1.00 25.00 N ATOM 240 CZ ARG A 600 11.567 -7.395 -5.527 1.00 25.00 C ATOM 241 NH1 ARG A 600 12.429 -8.373 -5.804 1.00 25.00 N ATOM 242 NH2 ARG A 600 11.185 -6.574 -6.496 1.00 25.00 N ATOM 0 H ARG A 600 10.061 -9.711 -0.034 1.00 25.00 H new ATOM 0 HA ARG A 600 8.813 -7.229 0.082 1.00 25.00 H new ATOM 0 HB2 ARG A 600 9.255 -9.190 -2.216 1.00 25.00 H new ATOM 0 HB3 ARG A 600 8.642 -7.568 -2.470 1.00 25.00 H new ATOM 0 HG2 ARG A 600 10.674 -6.557 -1.801 1.00 25.00 H new ATOM 0 HG3 ARG A 600 11.240 -8.005 -0.992 1.00 25.00 H new ATOM 0 HD2 ARG A 600 12.500 -8.017 -2.959 1.00 25.00 H new ATOM 0 HD3 ARG A 600 11.186 -9.106 -3.356 1.00 25.00 H new ATOM 0 HE ARG A 600 10.420 -6.464 -4.138 1.00 25.00 H new ATOM 0 HH11 ARG A 600 12.730 -9.012 -5.068 1.00 25.00 H new ATOM 0 HH12 ARG A 600 12.788 -8.483 -6.752 1.00 25.00 H new ATOM 0 HH21 ARG A 600 10.525 -5.822 -6.297 1.00 25.00 H new ATOM 0 HH22 ARG A 600 11.551 -6.694 -7.440 1.00 25.00 H new ATOM 256 N SER A 601 6.746 -9.700 -0.461 1.00 25.00 N ATOM 257 CA SER A 601 5.335 -10.100 -0.539 1.00 25.00 C ATOM 258 C SER A 601 4.606 -9.870 0.799 1.00 25.00 C ATOM 259 O SER A 601 3.401 -9.606 0.812 1.00 25.00 O ATOM 260 CB SER A 601 5.235 -11.577 -0.941 1.00 25.00 C ATOM 261 OG SER A 601 5.827 -12.420 0.034 1.00 25.00 O ATOM 0 H SER A 601 7.392 -10.482 -0.349 1.00 25.00 H new ATOM 0 HA SER A 601 4.851 -9.480 -1.294 1.00 25.00 H new ATOM 0 HB2 SER A 601 4.188 -11.850 -1.072 1.00 25.00 H new ATOM 0 HB3 SER A 601 5.727 -11.728 -1.902 1.00 25.00 H new ATOM 0 HG SER A 601 6.503 -11.917 0.534 1.00 25.00 H new ATOM 267 N HIS A 602 5.350 -9.978 1.914 1.00 25.00 N ATOM 268 CA HIS A 602 4.816 -9.702 3.261 1.00 25.00 C ATOM 269 C HIS A 602 4.809 -8.187 3.533 1.00 25.00 C ATOM 270 O HIS A 602 4.074 -7.699 4.395 1.00 25.00 O ATOM 271 CB HIS A 602 5.658 -10.445 4.315 1.00 25.00 C ATOM 272 CG HIS A 602 5.560 -11.945 4.256 1.00 25.00 C ATOM 273 ND1 HIS A 602 6.463 -12.783 4.874 1.00 25.00 N ATOM 274 CD2 HIS A 602 4.651 -12.750 3.655 1.00 25.00 C ATOM 275 CE1 HIS A 602 6.116 -14.040 4.656 1.00 25.00 C ATOM 276 NE2 HIS A 602 5.019 -14.046 3.919 1.00 25.00 N ATOM 0 H HIS A 602 6.331 -10.257 1.908 1.00 25.00 H new ATOM 0 HA HIS A 602 3.788 -10.060 3.320 1.00 25.00 H new ATOM 0 HB2 HIS A 602 6.702 -10.158 4.194 1.00 25.00 H new ATOM 0 HB3 HIS A 602 5.349 -10.113 5.306 1.00 25.00 H new ATOM 0 HD2 HIS A 602 3.796 -12.432 3.076 1.00 25.00 H new ATOM 0 HE1 HIS A 602 6.639 -14.913 5.018 1.00 25.00 H new ATOM 0 HE2 HIS A 602 4.525 -14.879 3.598 1.00 25.00 H new ATOM 285 N LEU A 603 5.644 -7.469 2.775 1.00 25.00 N ATOM 286 CA LEU A 603 5.706 -6.001 2.778 1.00 25.00 C ATOM 287 C LEU A 603 4.513 -5.424 2.008 1.00 25.00 C ATOM 288 O LEU A 603 4.005 -4.348 2.334 1.00 25.00 O ATOM 289 CB LEU A 603 7.032 -5.566 2.109 1.00 25.00 C ATOM 290 CG LEU A 603 8.373 -5.719 2.910 1.00 25.00 C ATOM 291 CD1 LEU A 603 9.550 -5.125 2.178 1.00 25.00 C ATOM 292 CD2 LEU A 603 8.335 -5.114 4.306 1.00 25.00 C ATOM 0 H LEU A 603 6.308 -7.898 2.130 1.00 25.00 H new ATOM 0 HA LEU A 603 5.666 -5.628 3.801 1.00 25.00 H new ATOM 0 HB2 LEU A 603 7.135 -6.132 1.183 1.00 25.00 H new ATOM 0 HB3 LEU A 603 6.932 -4.517 1.831 1.00 25.00 H new ATOM 0 HG LEU A 603 8.493 -6.798 3.005 1.00 25.00 H new ATOM 0 HD11 LEU A 603 10.453 -5.257 2.774 1.00 25.00 H new ATOM 0 HD12 LEU A 603 9.672 -5.627 1.218 1.00 25.00 H new ATOM 0 HD13 LEU A 603 9.376 -4.062 2.012 1.00 25.00 H new ATOM 0 HD21 LEU A 603 9.299 -5.262 4.793 1.00 25.00 H new ATOM 0 HD22 LEU A 603 8.124 -4.047 4.234 1.00 25.00 H new ATOM 0 HD23 LEU A 603 7.555 -5.600 4.892 1.00 25.00 H new ATOM 304 N VAL A 604 4.085 -6.173 0.980 1.00 25.00 N ATOM 305 CA VAL A 604 2.917 -5.847 0.170 1.00 25.00 C ATOM 306 C VAL A 604 1.622 -6.339 0.851 1.00 25.00 C ATOM 307 O VAL A 604 0.564 -5.727 0.692 1.00 25.00 O ATOM 308 CB VAL A 604 3.105 -6.440 -1.260 1.00 25.00 C ATOM 309 CG1 VAL A 604 1.867 -6.310 -2.137 1.00 25.00 C ATOM 310 CG2 VAL A 604 4.274 -5.749 -1.942 1.00 25.00 C ATOM 0 H VAL A 604 4.552 -7.032 0.690 1.00 25.00 H new ATOM 0 HA VAL A 604 2.820 -4.765 0.077 1.00 25.00 H new ATOM 0 HB VAL A 604 3.295 -7.506 -1.135 1.00 25.00 H new ATOM 0 HG11 VAL A 604 2.068 -6.743 -3.117 1.00 25.00 H new ATOM 0 HG12 VAL A 604 1.034 -6.837 -1.671 1.00 25.00 H new ATOM 0 HG13 VAL A 604 1.611 -5.257 -2.251 1.00 25.00 H new ATOM 0 HG21 VAL A 604 4.408 -6.162 -2.942 1.00 25.00 H new ATOM 0 HG22 VAL A 604 4.073 -4.680 -2.015 1.00 25.00 H new ATOM 0 HG23 VAL A 604 5.181 -5.909 -1.359 1.00 25.00 H new ATOM 320 N HIS A 605 1.726 -7.443 1.609 1.00 25.00 N ATOM 321 CA HIS A 605 0.602 -7.973 2.400 1.00 25.00 C ATOM 322 C HIS A 605 0.382 -7.119 3.663 1.00 25.00 C ATOM 323 O HIS A 605 -0.679 -7.178 4.289 1.00 25.00 O ATOM 324 CB HIS A 605 0.862 -9.442 2.778 1.00 25.00 C ATOM 325 CG HIS A 605 -0.321 -10.147 3.385 1.00 25.00 C ATOM 326 ND1 HIS A 605 -1.500 -10.362 2.703 1.00 25.00 N ATOM 327 CD2 HIS A 605 -0.505 -10.673 4.623 1.00 25.00 C ATOM 328 CE1 HIS A 605 -2.356 -10.987 3.491 1.00 25.00 C ATOM 329 NE2 HIS A 605 -1.777 -11.188 4.660 1.00 25.00 N ATOM 0 H HIS A 605 2.583 -7.989 1.691 1.00 25.00 H new ATOM 0 HA HIS A 605 -0.303 -7.927 1.794 1.00 25.00 H new ATOM 0 HB2 HIS A 605 1.174 -9.984 1.885 1.00 25.00 H new ATOM 0 HB3 HIS A 605 1.693 -9.482 3.482 1.00 25.00 H new ATOM 0 HD2 HIS A 605 0.215 -10.684 5.428 1.00 25.00 H new ATOM 0 HE1 HIS A 605 -3.360 -11.283 3.224 1.00 25.00 H new ATOM 0 HE2 HIS A 605 -2.205 -11.651 5.461 1.00 25.00 H new ATOM 338 N LYS A 606 1.407 -6.328 4.006 1.00 25.00 N ATOM 339 CA LYS A 606 1.364 -5.381 5.128 1.00 25.00 C ATOM 340 C LYS A 606 0.736 -4.064 4.644 1.00 25.00 C ATOM 341 O LYS A 606 0.164 -3.289 5.415 1.00 25.00 O ATOM 342 CB LYS A 606 2.803 -5.146 5.619 1.00 25.00 C ATOM 343 CG LYS A 606 2.939 -4.267 6.854 1.00 25.00 C ATOM 344 CD LYS A 606 4.377 -4.239 7.337 1.00 25.00 C ATOM 345 CE LYS A 606 4.537 -3.323 8.530 1.00 25.00 C ATOM 346 NZ LYS A 606 5.916 -3.359 9.090 1.00 25.00 N ATOM 0 H LYS A 606 2.297 -6.327 3.508 1.00 25.00 H new ATOM 0 HA LYS A 606 0.764 -5.775 5.948 1.00 25.00 H new ATOM 0 HB2 LYS A 606 3.258 -6.113 5.831 1.00 25.00 H new ATOM 0 HB3 LYS A 606 3.376 -4.695 4.809 1.00 25.00 H new ATOM 0 HG2 LYS A 606 2.608 -3.254 6.624 1.00 25.00 H new ATOM 0 HG3 LYS A 606 2.291 -4.642 7.646 1.00 25.00 H new ATOM 0 HD2 LYS A 606 4.693 -5.247 7.605 1.00 25.00 H new ATOM 0 HD3 LYS A 606 5.028 -3.905 6.529 1.00 25.00 H new ATOM 0 HE2 LYS A 606 4.293 -2.302 8.236 1.00 25.00 H new ATOM 0 HE3 LYS A 606 3.825 -3.611 9.304 1.00 25.00 H new ATOM 0 HZ1 LYS A 606 5.977 -2.716 9.905 1.00 25.00 H new ATOM 0 HZ2 LYS A 606 6.141 -4.327 9.395 1.00 25.00 H new ATOM 0 HZ3 LYS A 606 6.595 -3.059 8.361 1.00 25.00 H new ATOM 360 N LEU A 607 0.879 -3.865 3.339 1.00 25.00 N ATOM 361 CA LEU A 607 0.439 -2.685 2.614 1.00 25.00 C ATOM 362 C LEU A 607 -1.028 -2.815 2.160 1.00 25.00 C ATOM 363 O LEU A 607 -1.790 -1.855 2.246 1.00 25.00 O ATOM 364 CB LEU A 607 1.428 -2.549 1.455 1.00 25.00 C ATOM 365 CG LEU A 607 1.261 -1.434 0.403 1.00 25.00 C ATOM 366 CD1 LEU A 607 1.217 -0.027 0.988 1.00 25.00 C ATOM 367 CD2 LEU A 607 2.428 -1.518 -0.546 1.00 25.00 C ATOM 0 H LEU A 607 1.325 -4.554 2.733 1.00 25.00 H new ATOM 0 HA LEU A 607 0.442 -1.786 3.230 1.00 25.00 H new ATOM 0 HB2 LEU A 607 2.420 -2.431 1.892 1.00 25.00 H new ATOM 0 HB3 LEU A 607 1.426 -3.498 0.919 1.00 25.00 H new ATOM 0 HG LEU A 607 0.301 -1.596 -0.087 1.00 25.00 H new ATOM 0 HD11 LEU A 607 1.098 0.698 0.183 1.00 25.00 H new ATOM 0 HD12 LEU A 607 0.376 0.054 1.677 1.00 25.00 H new ATOM 0 HD13 LEU A 607 2.145 0.174 1.523 1.00 25.00 H new ATOM 0 HD21 LEU A 607 2.338 -0.740 -1.304 1.00 25.00 H new ATOM 0 HD22 LEU A 607 3.357 -1.380 0.007 1.00 25.00 H new ATOM 0 HD23 LEU A 607 2.435 -2.495 -1.029 1.00 25.00 H new ATOM 379 N VAL A 608 -1.405 -4.021 1.705 1.00 25.00 N ATOM 380 CA VAL A 608 -2.786 -4.328 1.275 1.00 25.00 C ATOM 381 C VAL A 608 -3.738 -4.480 2.486 1.00 25.00 C ATOM 382 O VAL A 608 -4.950 -4.295 2.341 1.00 25.00 O ATOM 383 CB VAL A 608 -2.807 -5.617 0.373 1.00 25.00 C ATOM 384 CG1 VAL A 608 -4.217 -6.164 0.152 1.00 25.00 C ATOM 385 CG2 VAL A 608 -2.168 -5.336 -0.985 1.00 25.00 C ATOM 0 H VAL A 608 -0.765 -4.811 1.624 1.00 25.00 H new ATOM 0 HA VAL A 608 -3.148 -3.487 0.683 1.00 25.00 H new ATOM 0 HB VAL A 608 -2.233 -6.371 0.912 1.00 25.00 H new ATOM 0 HG11 VAL A 608 -4.168 -7.053 -0.477 1.00 25.00 H new ATOM 0 HG12 VAL A 608 -4.661 -6.424 1.113 1.00 25.00 H new ATOM 0 HG13 VAL A 608 -4.829 -5.406 -0.337 1.00 25.00 H new ATOM 0 HG21 VAL A 608 -2.193 -6.240 -1.593 1.00 25.00 H new ATOM 0 HG22 VAL A 608 -2.721 -4.544 -1.490 1.00 25.00 H new ATOM 0 HG23 VAL A 608 -1.134 -5.023 -0.843 1.00 25.00 H new ATOM 395 N GLN A 609 -3.186 -4.786 3.670 1.00 25.00 N ATOM 396 CA GLN A 609 -4.004 -4.987 4.878 1.00 25.00 C ATOM 397 C GLN A 609 -4.339 -3.649 5.556 1.00 25.00 C ATOM 398 O GLN A 609 -5.350 -3.536 6.257 1.00 25.00 O ATOM 399 CB GLN A 609 -3.325 -5.962 5.857 1.00 25.00 C ATOM 400 CG GLN A 609 -3.584 -7.418 5.549 1.00 25.00 C ATOM 401 CD GLN A 609 -2.853 -8.370 6.478 1.00 25.00 C ATOM 402 OE1 GLN A 609 -3.274 -9.512 6.670 1.00 25.00 O ATOM 403 NE2 GLN A 609 -1.755 -7.905 7.063 1.00 25.00 N ATOM 0 H GLN A 609 -2.183 -4.899 3.818 1.00 25.00 H new ATOM 0 HA GLN A 609 -4.946 -5.439 4.567 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -2.250 -5.784 5.845 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -3.672 -5.747 6.868 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -4.655 -7.610 5.613 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -3.284 -7.623 4.521 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -1.442 -6.953 6.876 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -1.225 -8.500 7.699 1.00 25.00 H new ATOM 412 N ALA A 610 -3.477 -2.644 5.335 1.00 25.00 N ATOM 413 CA ALA A 610 -3.711 -1.284 5.823 1.00 25.00 C ATOM 414 C ALA A 610 -4.703 -0.534 4.931 1.00 25.00 C ATOM 415 O ALA A 610 -5.412 0.362 5.397 1.00 25.00 O ATOM 416 CB ALA A 610 -2.397 -0.531 5.895 1.00 25.00 C ATOM 0 H ALA A 610 -2.606 -2.754 4.816 1.00 25.00 H new ATOM 0 HA ALA A 610 -4.145 -1.350 6.821 1.00 25.00 H new ATOM 0 HB1 ALA A 610 -2.577 0.481 6.259 1.00 25.00 H new ATOM 0 HB2 ALA A 610 -1.719 -1.046 6.576 1.00 25.00 H new ATOM 0 HB3 ALA A 610 -1.949 -0.485 4.902 1.00 25.00 H new ATOM 422 N ILE A 611 -4.750 -0.914 3.644 1.00 25.00 N ATOM 423 CA ILE A 611 -5.701 -0.336 2.687 1.00 25.00 C ATOM 424 C ILE A 611 -7.067 -1.026 2.855 1.00 25.00 C ATOM 425 O ILE A 611 -8.092 -0.355 3.007 1.00 25.00 O ATOM 426 CB ILE A 611 -5.192 -0.450 1.209 1.00 25.00 C ATOM 427 CG1 ILE A 611 -3.870 0.319 1.033 1.00 25.00 C ATOM 428 CG2 ILE A 611 -6.239 0.096 0.235 1.00 25.00 C ATOM 429 CD1 ILE A 611 -3.126 0.057 -0.272 1.00 25.00 C ATOM 0 H ILE A 611 -4.136 -1.623 3.243 1.00 25.00 H new ATOM 0 HA ILE A 611 -5.800 0.729 2.899 1.00 25.00 H new ATOM 0 HB ILE A 611 -5.022 -1.504 0.991 1.00 25.00 H new ATOM 0 HG12 ILE A 611 -4.079 1.386 1.104 1.00 25.00 H new ATOM 0 HG13 ILE A 611 -3.210 0.068 1.864 1.00 25.00 H new ATOM 0 HG21 ILE A 611 -5.867 0.008 -0.786 1.00 25.00 H new ATOM 0 HG22 ILE A 611 -7.162 -0.475 0.335 1.00 25.00 H new ATOM 0 HG23 ILE A 611 -6.434 1.144 0.461 1.00 25.00 H new ATOM 0 HD11 ILE A 611 -2.210 0.648 -0.294 1.00 25.00 H new ATOM 0 HD12 ILE A 611 -2.877 -1.002 -0.342 1.00 25.00 H new ATOM 0 HD13 ILE A 611 -3.759 0.338 -1.114 1.00 25.00 H new ATOM 441 N PHE A 612 -7.061 -2.369 2.819 1.00 25.00 N ATOM 442 CA PHE A 612 -8.238 -3.168 3.150 1.00 25.00 C ATOM 443 C PHE A 612 -7.811 -4.477 3.859 1.00 25.00 C ATOM 444 O PHE A 612 -7.166 -5.324 3.233 1.00 25.00 O ATOM 445 CB PHE A 612 -9.058 -3.473 1.875 1.00 25.00 C ATOM 446 CG PHE A 612 -10.381 -4.152 2.129 1.00 25.00 C ATOM 447 CD1 PHE A 612 -11.472 -3.411 2.547 1.00 25.00 C ATOM 448 CD2 PHE A 612 -10.530 -5.516 1.943 1.00 25.00 C ATOM 449 CE1 PHE A 612 -12.693 -4.016 2.776 1.00 25.00 C ATOM 450 CE2 PHE A 612 -11.749 -6.129 2.170 1.00 25.00 C ATOM 451 CZ PHE A 612 -12.832 -5.377 2.587 1.00 25.00 C ATOM 0 H PHE A 612 -6.244 -2.922 2.561 1.00 25.00 H new ATOM 0 HA PHE A 612 -8.871 -2.599 3.831 1.00 25.00 H new ATOM 0 HB2 PHE A 612 -9.240 -2.539 1.343 1.00 25.00 H new ATOM 0 HB3 PHE A 612 -8.461 -4.104 1.217 1.00 25.00 H new ATOM 0 HD1 PHE A 612 -11.368 -2.346 2.696 1.00 25.00 H new ATOM 0 HD2 PHE A 612 -9.687 -6.107 1.618 1.00 25.00 H new ATOM 0 HE1 PHE A 612 -13.537 -3.426 3.102 1.00 25.00 H new ATOM 0 HE2 PHE A 612 -11.855 -7.194 2.022 1.00 25.00 H new ATOM 0 HZ PHE A 612 -13.785 -5.853 2.765 1.00 25.00 H new ATOM 461 N PRO A 613 -8.157 -4.673 5.177 1.00 25.00 N ATOM 462 CA PRO A 613 -7.918 -5.955 5.876 1.00 25.00 C ATOM 463 C PRO A 613 -8.760 -7.096 5.294 1.00 25.00 C ATOM 464 O PRO A 613 -9.956 -6.922 5.035 1.00 25.00 O ATOM 465 CB PRO A 613 -8.329 -5.678 7.331 1.00 25.00 C ATOM 466 CG PRO A 613 -9.313 -4.564 7.259 1.00 25.00 C ATOM 467 CD PRO A 613 -8.764 -3.681 6.097 1.00 25.00 C ATOM 0 HA PRO A 613 -6.881 -6.275 5.776 1.00 25.00 H new ATOM 0 HB2 PRO A 613 -8.770 -6.563 7.790 1.00 25.00 H new ATOM 0 HB3 PRO A 613 -7.466 -5.401 7.937 1.00 25.00 H new ATOM 0 HG2 PRO A 613 -10.319 -4.928 7.048 1.00 25.00 H new ATOM 0 HG3 PRO A 613 -9.364 -4.010 8.196 1.00 25.00 H new ATOM 0 HD2 PRO A 613 -9.559 -3.115 5.611 1.00 25.00 H new ATOM 0 HD3 PRO A 613 -8.029 -2.959 6.452 1.00 25.00 H new ATOM 475 N THR A 614 -8.125 -8.254 5.090 1.00 25.00 N ATOM 476 CA THR A 614 -8.778 -9.390 4.448 1.00 25.00 C ATOM 477 C THR A 614 -9.057 -10.543 5.420 1.00 25.00 C ATOM 478 O THR A 614 -8.123 -11.148 5.958 1.00 25.00 O ATOM 479 CB THR A 614 -7.965 -9.939 3.264 1.00 25.00 C ATOM 480 OG1 THR A 614 -6.835 -9.100 2.987 1.00 25.00 O ATOM 481 CG2 THR A 614 -8.834 -10.087 2.027 1.00 25.00 C ATOM 0 H THR A 614 -7.157 -8.426 5.362 1.00 25.00 H new ATOM 0 HA THR A 614 -9.727 -8.995 4.085 1.00 25.00 H new ATOM 0 HB THR A 614 -7.599 -10.927 3.542 1.00 25.00 H new ATOM 0 HG1 THR A 614 -6.331 -9.469 2.232 1.00 25.00 H new ATOM 0 HG21 THR A 614 -8.234 -10.477 1.205 1.00 25.00 H new ATOM 0 HG22 THR A 614 -9.652 -10.776 2.237 1.00 25.00 H new ATOM 0 HG23 THR A 614 -9.241 -9.115 1.750 1.00 25.00 H new ATOM 489 N PRO A 615 -10.367 -10.851 5.674 1.00 25.00 N ATOM 490 CA PRO A 615 -10.794 -12.096 6.353 1.00 25.00 C ATOM 491 C PRO A 615 -10.399 -13.355 5.576 1.00 25.00 C ATOM 492 O PRO A 615 -9.790 -14.277 6.125 1.00 25.00 O ATOM 493 CB PRO A 615 -12.319 -11.979 6.373 1.00 25.00 C ATOM 494 CG PRO A 615 -12.584 -10.520 6.405 1.00 25.00 C ATOM 495 CD PRO A 615 -11.535 -9.987 5.374 1.00 25.00 C ATOM 0 HA PRO A 615 -10.330 -12.194 7.334 1.00 25.00 H new ATOM 0 HB2 PRO A 615 -12.763 -12.443 5.492 1.00 25.00 H new ATOM 0 HB3 PRO A 615 -12.743 -12.478 7.244 1.00 25.00 H new ATOM 0 HG2 PRO A 615 -13.606 -10.283 6.110 1.00 25.00 H new ATOM 0 HG3 PRO A 615 -12.433 -10.098 7.399 1.00 25.00 H new ATOM 0 HD2 PRO A 615 -11.876 -10.100 4.345 1.00 25.00 H new ATOM 0 HD3 PRO A 615 -11.313 -8.930 5.522 1.00 25.00 H new ATOM 503 N ASP A 616 -10.771 -13.364 4.294 1.00 25.00 N ATOM 504 CA ASP A 616 -10.490 -14.480 3.387 1.00 25.00 C ATOM 505 C ASP A 616 -9.397 -14.115 2.369 1.00 25.00 C ATOM 506 O ASP A 616 -9.530 -13.115 1.655 1.00 25.00 O ATOM 507 CB ASP A 616 -11.767 -14.908 2.648 1.00 25.00 C ATOM 508 CG ASP A 616 -11.585 -16.185 1.847 1.00 25.00 C ATOM 509 OD1 ASP A 616 -10.438 -16.677 1.766 1.00 25.00 O ATOM 510 OD2 ASP A 616 -12.586 -16.691 1.300 1.00 25.00 O ATOM 0 H ASP A 616 -11.277 -12.595 3.854 1.00 25.00 H new ATOM 0 HA ASP A 616 -10.130 -15.312 3.992 1.00 25.00 H new ATOM 0 HB2 ASP A 616 -12.569 -15.050 3.372 1.00 25.00 H new ATOM 0 HB3 ASP A 616 -12.080 -14.106 1.979 1.00 25.00 H new ATOM 515 N PRO A 617 -8.283 -14.918 2.290 1.00 25.00 N ATOM 516 CA PRO A 617 -7.218 -14.732 1.268 1.00 25.00 C ATOM 517 C PRO A 617 -7.705 -14.902 -0.189 1.00 25.00 C ATOM 518 O PRO A 617 -6.969 -14.595 -1.132 1.00 25.00 O ATOM 519 CB PRO A 617 -6.199 -15.833 1.610 1.00 25.00 C ATOM 520 CG PRO A 617 -6.991 -16.890 2.301 1.00 25.00 C ATOM 521 CD PRO A 617 -7.935 -16.035 3.211 1.00 25.00 C ATOM 0 HA PRO A 617 -6.824 -13.716 1.304 1.00 25.00 H new ATOM 0 HB2 PRO A 617 -5.721 -16.222 0.711 1.00 25.00 H new ATOM 0 HB3 PRO A 617 -5.406 -15.451 2.252 1.00 25.00 H new ATOM 0 HG2 PRO A 617 -7.550 -17.508 1.598 1.00 25.00 H new ATOM 0 HG3 PRO A 617 -6.359 -17.561 2.883 1.00 25.00 H new ATOM 0 HD2 PRO A 617 -8.814 -16.593 3.533 1.00 25.00 H new ATOM 0 HD3 PRO A 617 -7.432 -15.685 4.113 1.00 25.00 H new ATOM 529 N ALA A 618 -8.945 -15.392 -0.355 1.00 25.00 N ATOM 530 CA ALA A 618 -9.531 -15.650 -1.680 1.00 25.00 C ATOM 531 C ALA A 618 -10.021 -14.367 -2.376 1.00 25.00 C ATOM 532 O ALA A 618 -10.394 -14.399 -3.553 1.00 25.00 O ATOM 533 CB ALA A 618 -10.674 -16.650 -1.551 1.00 25.00 C ATOM 0 H ALA A 618 -9.566 -15.619 0.422 1.00 25.00 H new ATOM 0 HA ALA A 618 -8.742 -16.065 -2.307 1.00 25.00 H new ATOM 0 HB1 ALA A 618 -11.105 -16.838 -2.534 1.00 25.00 H new ATOM 0 HB2 ALA A 618 -10.295 -17.584 -1.136 1.00 25.00 H new ATOM 0 HB3 ALA A 618 -11.440 -16.244 -0.891 1.00 25.00 H new ATOM 539 N ALA A 619 -10.008 -13.242 -1.642 1.00 25.00 N ATOM 540 CA ALA A 619 -10.450 -11.944 -2.174 1.00 25.00 C ATOM 541 C ALA A 619 -9.345 -11.232 -2.969 1.00 25.00 C ATOM 542 O ALA A 619 -9.599 -10.213 -3.620 1.00 25.00 O ATOM 543 CB ALA A 619 -10.914 -11.048 -1.035 1.00 25.00 C ATOM 0 H ALA A 619 -9.694 -13.207 -0.672 1.00 25.00 H new ATOM 0 HA ALA A 619 -11.275 -12.140 -2.858 1.00 25.00 H new ATOM 0 HB1 ALA A 619 -11.240 -10.088 -1.436 1.00 25.00 H new ATOM 0 HB2 ALA A 619 -11.744 -11.524 -0.513 1.00 25.00 H new ATOM 0 HB3 ALA A 619 -10.091 -10.889 -0.339 1.00 25.00 H new ATOM 549 N LEU A 620 -8.127 -11.787 -2.919 1.00 25.00 N ATOM 550 CA LEU A 620 -6.951 -11.168 -3.531 1.00 25.00 C ATOM 551 C LEU A 620 -6.828 -11.500 -5.029 1.00 25.00 C ATOM 552 O LEU A 620 -5.946 -10.973 -5.716 1.00 25.00 O ATOM 553 CB LEU A 620 -5.671 -11.625 -2.787 1.00 25.00 C ATOM 554 CG LEU A 620 -5.415 -11.084 -1.351 1.00 25.00 C ATOM 555 CD1 LEU A 620 -4.264 -11.815 -0.665 1.00 25.00 C ATOM 556 CD2 LEU A 620 -5.166 -9.579 -1.342 1.00 25.00 C ATOM 0 H LEU A 620 -7.933 -12.674 -2.454 1.00 25.00 H new ATOM 0 HA LEU A 620 -7.069 -10.088 -3.445 1.00 25.00 H new ATOM 0 HB2 LEU A 620 -5.690 -12.713 -2.733 1.00 25.00 H new ATOM 0 HB3 LEU A 620 -4.814 -11.351 -3.402 1.00 25.00 H new ATOM 0 HG LEU A 620 -6.326 -11.278 -0.785 1.00 25.00 H new ATOM 0 HD11 LEU A 620 -4.118 -11.407 0.335 1.00 25.00 H new ATOM 0 HD12 LEU A 620 -4.499 -12.877 -0.593 1.00 25.00 H new ATOM 0 HD13 LEU A 620 -3.352 -11.684 -1.247 1.00 25.00 H new ATOM 0 HD21 LEU A 620 -4.992 -9.245 -0.319 1.00 25.00 H new ATOM 0 HD22 LEU A 620 -4.292 -9.351 -1.952 1.00 25.00 H new ATOM 0 HD23 LEU A 620 -6.036 -9.064 -1.749 1.00 25.00 H new ATOM 568 N LYS A 621 -7.724 -12.364 -5.525 1.00 25.00 N ATOM 569 CA LYS A 621 -7.705 -12.806 -6.928 1.00 25.00 C ATOM 570 C LYS A 621 -8.857 -12.179 -7.728 1.00 25.00 C ATOM 571 O LYS A 621 -9.163 -12.613 -8.846 1.00 25.00 O ATOM 572 CB LYS A 621 -7.779 -14.343 -7.006 1.00 25.00 C ATOM 573 CG LYS A 621 -6.552 -15.075 -6.460 1.00 25.00 C ATOM 574 CD LYS A 621 -6.667 -16.589 -6.622 1.00 25.00 C ATOM 575 CE LYS A 621 -5.472 -17.321 -6.037 1.00 25.00 C ATOM 576 NZ LYS A 621 -5.576 -18.803 -6.180 1.00 25.00 N ATOM 0 H LYS A 621 -8.476 -12.774 -4.972 1.00 25.00 H new ATOM 0 HA LYS A 621 -6.767 -12.472 -7.370 1.00 25.00 H new ATOM 0 HB2 LYS A 621 -8.659 -14.678 -6.456 1.00 25.00 H new ATOM 0 HB3 LYS A 621 -7.924 -14.633 -8.047 1.00 25.00 H new ATOM 0 HG2 LYS A 621 -5.660 -14.722 -6.978 1.00 25.00 H new ATOM 0 HG3 LYS A 621 -6.425 -14.832 -5.405 1.00 25.00 H new ATOM 0 HD2 LYS A 621 -7.578 -16.937 -6.135 1.00 25.00 H new ATOM 0 HD3 LYS A 621 -6.758 -16.834 -7.680 1.00 25.00 H new ATOM 0 HE2 LYS A 621 -4.563 -16.976 -6.530 1.00 25.00 H new ATOM 0 HE3 LYS A 621 -5.378 -17.068 -4.981 1.00 25.00 H new ATOM 0 HZ1 LYS A 621 -4.735 -19.252 -5.764 1.00 25.00 H new ATOM 0 HZ2 LYS A 621 -6.428 -19.140 -5.687 1.00 25.00 H new ATOM 0 HZ3 LYS A 621 -5.638 -19.051 -7.188 1.00 25.00 H new ATOM 590 N ASP A 622 -9.478 -11.140 -7.153 1.00 25.00 N ATOM 591 CA ASP A 622 -10.646 -10.489 -7.750 1.00 25.00 C ATOM 592 C ASP A 622 -10.229 -9.441 -8.801 1.00 25.00 C ATOM 593 O ASP A 622 -9.060 -9.051 -8.866 1.00 25.00 O ATOM 594 CB ASP A 622 -11.493 -9.850 -6.636 1.00 25.00 C ATOM 595 CG ASP A 622 -12.948 -9.646 -7.027 1.00 25.00 C ATOM 596 OD1 ASP A 622 -13.299 -9.945 -8.189 1.00 25.00 O ATOM 597 OD2 ASP A 622 -13.735 -9.190 -6.172 1.00 25.00 O ATOM 0 H ASP A 622 -9.185 -10.731 -6.266 1.00 25.00 H new ATOM 0 HA ASP A 622 -11.243 -11.239 -8.269 1.00 25.00 H new ATOM 0 HB2 ASP A 622 -11.448 -10.481 -5.748 1.00 25.00 H new ATOM 0 HB3 ASP A 622 -11.058 -8.888 -6.366 1.00 25.00 H new ATOM 602 N ARG A 623 -11.199 -8.993 -9.613 1.00 25.00 N ATOM 603 CA ARG A 623 -10.956 -8.019 -10.688 1.00 25.00 C ATOM 604 C ARG A 623 -10.681 -6.609 -10.121 1.00 25.00 C ATOM 605 O ARG A 623 -9.647 -6.004 -10.424 1.00 25.00 O ATOM 606 CB ARG A 623 -12.174 -8.009 -11.646 1.00 25.00 C ATOM 607 CG ARG A 623 -12.305 -9.220 -12.578 1.00 25.00 C ATOM 608 CD ARG A 623 -13.414 -9.051 -13.615 1.00 25.00 C ATOM 609 NE ARG A 623 -14.744 -8.935 -13.003 1.00 25.00 N ATOM 610 CZ ARG A 623 -15.510 -9.974 -12.637 1.00 25.00 C ATOM 611 NH1 ARG A 623 -15.107 -11.230 -12.828 1.00 25.00 N ATOM 612 NH2 ARG A 623 -16.690 -9.750 -12.077 1.00 25.00 N ATOM 0 H ARG A 623 -12.171 -9.295 -9.543 1.00 25.00 H new ATOM 0 HA ARG A 623 -10.065 -8.315 -11.241 1.00 25.00 H new ATOM 0 HB2 ARG A 623 -13.082 -7.936 -11.047 1.00 25.00 H new ATOM 0 HB3 ARG A 623 -12.123 -7.108 -12.258 1.00 25.00 H new ATOM 0 HG2 ARG A 623 -11.357 -9.383 -13.090 1.00 25.00 H new ATOM 0 HG3 ARG A 623 -12.503 -10.111 -11.983 1.00 25.00 H new ATOM 0 HD2 ARG A 623 -13.215 -8.162 -14.214 1.00 25.00 H new ATOM 0 HD3 ARG A 623 -13.404 -9.903 -14.295 1.00 25.00 H new ATOM 0 HE ARG A 623 -15.112 -7.997 -12.845 1.00 25.00 H new ATOM 0 HH11 ARG A 623 -14.201 -11.415 -13.259 1.00 25.00 H new ATOM 0 HH12 ARG A 623 -15.704 -12.006 -12.543 1.00 25.00 H new ATOM 0 HH21 ARG A 623 -17.010 -8.793 -11.927 1.00 25.00 H new ATOM 0 HH22 ARG A 623 -17.278 -10.534 -11.796 1.00 25.00 H new ATOM 626 N ARG A 624 -11.612 -6.113 -9.292 1.00 25.00 N ATOM 627 CA ARG A 624 -11.528 -4.760 -8.710 1.00 25.00 C ATOM 628 C ARG A 624 -10.389 -4.622 -7.687 1.00 25.00 C ATOM 629 O ARG A 624 -9.823 -3.536 -7.532 1.00 25.00 O ATOM 630 CB ARG A 624 -12.865 -4.381 -8.041 1.00 25.00 C ATOM 631 CG ARG A 624 -14.049 -4.212 -9.000 1.00 25.00 C ATOM 632 CD ARG A 624 -13.963 -2.922 -9.816 1.00 25.00 C ATOM 633 NE ARG A 624 -14.022 -1.728 -8.964 1.00 25.00 N ATOM 634 CZ ARG A 624 -15.149 -1.087 -8.619 1.00 25.00 C ATOM 635 NH1 ARG A 624 -16.342 -1.510 -9.038 1.00 25.00 N ATOM 636 NH2 ARG A 624 -15.079 -0.012 -7.847 1.00 25.00 N ATOM 0 H ARG A 624 -12.441 -6.633 -9.006 1.00 25.00 H new ATOM 0 HA ARG A 624 -11.314 -4.080 -9.534 1.00 25.00 H new ATOM 0 HB2 ARG A 624 -13.117 -5.148 -7.309 1.00 25.00 H new ATOM 0 HB3 ARG A 624 -12.727 -3.450 -7.492 1.00 25.00 H new ATOM 0 HG2 ARG A 624 -14.088 -5.065 -9.678 1.00 25.00 H new ATOM 0 HG3 ARG A 624 -14.978 -4.216 -8.429 1.00 25.00 H new ATOM 0 HD2 ARG A 624 -13.034 -2.915 -10.386 1.00 25.00 H new ATOM 0 HD3 ARG A 624 -14.780 -2.894 -10.537 1.00 25.00 H new ATOM 0 HE ARG A 624 -13.141 -1.358 -8.608 1.00 25.00 H new ATOM 0 HH11 ARG A 624 -16.410 -2.336 -9.633 1.00 25.00 H new ATOM 0 HH12 ARG A 624 -17.186 -1.008 -8.764 1.00 25.00 H new ATOM 0 HH21 ARG A 624 -14.173 0.323 -7.520 1.00 25.00 H new ATOM 0 HH22 ARG A 624 -15.931 0.481 -7.580 1.00 25.00 H new ATOM 650 N MET A 625 -10.052 -5.728 -7.004 1.00 25.00 N ATOM 651 CA MET A 625 -9.018 -5.723 -5.958 1.00 25.00 C ATOM 652 C MET A 625 -7.604 -5.721 -6.558 1.00 25.00 C ATOM 653 O MET A 625 -6.705 -5.056 -6.033 1.00 25.00 O ATOM 654 CB MET A 625 -9.197 -6.936 -5.032 1.00 25.00 C ATOM 655 CG MET A 625 -8.162 -7.024 -3.908 1.00 25.00 C ATOM 656 SD MET A 625 -8.292 -5.659 -2.735 1.00 25.00 S ATOM 657 CE MET A 625 -8.430 -6.548 -1.191 1.00 25.00 C ATOM 0 H MET A 625 -10.483 -6.640 -7.159 1.00 25.00 H new ATOM 0 HA MET A 625 -9.135 -4.806 -5.380 1.00 25.00 H new ATOM 0 HB2 MET A 625 -10.193 -6.899 -4.591 1.00 25.00 H new ATOM 0 HB3 MET A 625 -9.146 -7.846 -5.630 1.00 25.00 H new ATOM 0 HG2 MET A 625 -8.288 -7.968 -3.377 1.00 25.00 H new ATOM 0 HG3 MET A 625 -7.161 -7.032 -4.340 1.00 25.00 H new ATOM 0 HE1 MET A 625 -8.518 -5.838 -0.369 1.00 25.00 H new ATOM 0 HE2 MET A 625 -9.314 -7.186 -1.216 1.00 25.00 H new ATOM 0 HE3 MET A 625 -7.542 -7.164 -1.045 1.00 25.00 H new ATOM 667 N GLU A 626 -7.422 -6.475 -7.654 1.00 25.00 N ATOM 668 CA GLU A 626 -6.132 -6.568 -8.362 1.00 25.00 C ATOM 669 C GLU A 626 -5.611 -5.182 -8.813 1.00 25.00 C ATOM 670 O GLU A 626 -4.415 -5.021 -9.075 1.00 25.00 O ATOM 671 CB GLU A 626 -6.266 -7.516 -9.566 1.00 25.00 C ATOM 672 CG GLU A 626 -4.945 -7.825 -10.270 1.00 25.00 C ATOM 673 CD GLU A 626 -3.959 -8.551 -9.377 1.00 25.00 C ATOM 674 OE1 GLU A 626 -4.367 -9.529 -8.714 1.00 25.00 O ATOM 675 OE2 GLU A 626 -2.780 -8.140 -9.335 1.00 25.00 O ATOM 0 H GLU A 626 -8.162 -7.037 -8.075 1.00 25.00 H new ATOM 0 HA GLU A 626 -5.397 -6.970 -7.664 1.00 25.00 H new ATOM 0 HB2 GLU A 626 -6.713 -8.451 -9.230 1.00 25.00 H new ATOM 0 HB3 GLU A 626 -6.954 -7.075 -10.287 1.00 25.00 H new ATOM 0 HG2 GLU A 626 -5.143 -8.432 -11.154 1.00 25.00 H new ATOM 0 HG3 GLU A 626 -4.497 -6.894 -10.617 1.00 25.00 H new ATOM 682 N ASN A 627 -6.522 -4.196 -8.891 1.00 25.00 N ATOM 683 CA ASN A 627 -6.184 -2.827 -9.312 1.00 25.00 C ATOM 684 C ASN A 627 -5.307 -2.093 -8.284 1.00 25.00 C ATOM 685 O ASN A 627 -4.404 -1.344 -8.673 1.00 25.00 O ATOM 686 CB ASN A 627 -7.462 -2.017 -9.581 1.00 25.00 C ATOM 687 CG ASN A 627 -8.205 -2.458 -10.837 1.00 25.00 C ATOM 688 OD1 ASN A 627 -7.625 -3.054 -11.749 1.00 25.00 O ATOM 689 ND2 ASN A 627 -9.498 -2.166 -10.888 1.00 25.00 N ATOM 0 H ASN A 627 -7.508 -4.326 -8.665 1.00 25.00 H new ATOM 0 HA ASN A 627 -5.605 -2.914 -10.231 1.00 25.00 H new ATOM 0 HB2 ASN A 627 -8.128 -2.108 -8.723 1.00 25.00 H new ATOM 0 HB3 ASN A 627 -7.202 -0.962 -9.673 1.00 25.00 H new ATOM 0 HD21 ASN A 627 -10.050 -2.436 -11.702 1.00 25.00 H new ATOM 0 HD22 ASN A 627 -9.940 -1.672 -10.113 1.00 25.00 H new ATOM 696 N LEU A 628 -5.569 -2.306 -6.977 1.00 25.00 N ATOM 697 CA LEU A 628 -4.762 -1.673 -5.923 1.00 25.00 C ATOM 698 C LEU A 628 -3.524 -2.521 -5.597 1.00 25.00 C ATOM 699 O LEU A 628 -2.491 -1.987 -5.191 1.00 25.00 O ATOM 700 CB LEU A 628 -5.615 -1.330 -4.665 1.00 25.00 C ATOM 701 CG LEU A 628 -6.750 -0.285 -4.781 1.00 25.00 C ATOM 702 CD1 LEU A 628 -7.584 -0.232 -3.508 1.00 25.00 C ATOM 703 CD2 LEU A 628 -6.159 1.081 -5.035 1.00 25.00 C ATOM 0 H LEU A 628 -6.322 -2.903 -6.634 1.00 25.00 H new ATOM 0 HA LEU A 628 -4.399 -0.718 -6.302 1.00 25.00 H new ATOM 0 HB2 LEU A 628 -6.060 -2.259 -4.308 1.00 25.00 H new ATOM 0 HB3 LEU A 628 -4.931 -0.986 -3.889 1.00 25.00 H new ATOM 0 HG LEU A 628 -7.394 -0.580 -5.610 1.00 25.00 H new ATOM 0 HD11 LEU A 628 -8.373 0.511 -3.621 1.00 25.00 H new ATOM 0 HD12 LEU A 628 -8.030 -1.209 -3.324 1.00 25.00 H new ATOM 0 HD13 LEU A 628 -6.947 0.040 -2.667 1.00 25.00 H new ATOM 0 HD21 LEU A 628 -6.961 1.815 -5.116 1.00 25.00 H new ATOM 0 HD22 LEU A 628 -5.501 1.352 -4.209 1.00 25.00 H new ATOM 0 HD23 LEU A 628 -5.588 1.063 -5.963 1.00 25.00 H new ATOM 715 N VAL A 629 -3.652 -3.852 -5.758 1.00 25.00 N ATOM 716 CA VAL A 629 -2.506 -4.780 -5.675 1.00 25.00 C ATOM 717 C VAL A 629 -1.428 -4.359 -6.688 1.00 25.00 C ATOM 718 O VAL A 629 -0.228 -4.495 -6.436 1.00 25.00 O ATOM 719 CB VAL A 629 -2.967 -6.250 -5.949 1.00 25.00 C ATOM 720 CG1 VAL A 629 -1.796 -7.235 -6.020 1.00 25.00 C ATOM 721 CG2 VAL A 629 -3.971 -6.702 -4.892 1.00 25.00 C ATOM 0 H VAL A 629 -4.543 -4.311 -5.947 1.00 25.00 H new ATOM 0 HA VAL A 629 -2.088 -4.738 -4.669 1.00 25.00 H new ATOM 0 HB VAL A 629 -3.445 -6.250 -6.928 1.00 25.00 H new ATOM 0 HG11 VAL A 629 -2.176 -8.238 -6.212 1.00 25.00 H new ATOM 0 HG12 VAL A 629 -1.122 -6.942 -6.825 1.00 25.00 H new ATOM 0 HG13 VAL A 629 -1.256 -7.227 -5.073 1.00 25.00 H new ATOM 0 HG21 VAL A 629 -4.280 -7.727 -5.099 1.00 25.00 H new ATOM 0 HG22 VAL A 629 -3.508 -6.655 -3.906 1.00 25.00 H new ATOM 0 HG23 VAL A 629 -4.843 -6.048 -4.915 1.00 25.00 H new ATOM 731 N ALA A 630 -1.898 -3.837 -7.824 1.00 25.00 N ATOM 732 CA ALA A 630 -1.039 -3.319 -8.878 1.00 25.00 C ATOM 733 C ALA A 630 -0.490 -1.930 -8.522 1.00 25.00 C ATOM 734 O ALA A 630 0.495 -1.480 -9.111 1.00 25.00 O ATOM 735 CB ALA A 630 -1.813 -3.298 -10.183 1.00 25.00 C ATOM 0 H ALA A 630 -2.893 -3.764 -8.034 1.00 25.00 H new ATOM 0 HA ALA A 630 -0.175 -3.973 -8.990 1.00 25.00 H new ATOM 0 HB1 ALA A 630 -1.176 -2.911 -10.978 1.00 25.00 H new ATOM 0 HB2 ALA A 630 -2.131 -4.310 -10.434 1.00 25.00 H new ATOM 0 HB3 ALA A 630 -2.689 -2.658 -10.076 1.00 25.00 H new ATOM 741 N TYR A 631 -1.147 -1.257 -7.558 1.00 25.00 N ATOM 742 CA TYR A 631 -0.618 -0.028 -6.945 1.00 25.00 C ATOM 743 C TYR A 631 0.532 -0.367 -5.975 1.00 25.00 C ATOM 744 O TYR A 631 1.554 0.326 -5.946 1.00 25.00 O ATOM 745 CB TYR A 631 -1.762 0.760 -6.221 1.00 25.00 C ATOM 746 CG TYR A 631 -1.342 2.082 -5.580 1.00 25.00 C ATOM 747 CD1 TYR A 631 -0.249 2.798 -6.074 1.00 25.00 C ATOM 748 CD2 TYR A 631 -2.067 2.636 -4.525 1.00 25.00 C ATOM 749 CE1 TYR A 631 0.099 4.020 -5.531 1.00 25.00 C ATOM 750 CE2 TYR A 631 -1.715 3.851 -3.979 1.00 25.00 C ATOM 751 CZ TYR A 631 -0.520 4.435 -4.343 1.00 25.00 C ATOM 752 OH TYR A 631 -0.292 5.759 -3.949 1.00 25.00 O ATOM 0 H TYR A 631 -2.051 -1.548 -7.186 1.00 25.00 H new ATOM 0 HA TYR A 631 -0.218 0.614 -7.730 1.00 25.00 H new ATOM 0 HB2 TYR A 631 -2.555 0.961 -6.942 1.00 25.00 H new ATOM 0 HB3 TYR A 631 -2.188 0.120 -5.448 1.00 25.00 H new ATOM 0 HD1 TYR A 631 0.331 2.392 -6.890 1.00 25.00 H new ATOM 0 HD2 TYR A 631 -2.919 2.103 -4.129 1.00 25.00 H new ATOM 0 HE1 TYR A 631 0.836 4.645 -6.014 1.00 25.00 H new ATOM 0 HE2 TYR A 631 -2.369 4.341 -3.273 1.00 25.00 H new ATOM 0 HH TYR A 631 0.610 6.030 -4.219 1.00 25.00 H new ATOM 762 N ALA A 632 0.344 -1.439 -5.196 1.00 25.00 N ATOM 763 CA ALA A 632 1.279 -1.819 -4.133 1.00 25.00 C ATOM 764 C ALA A 632 2.486 -2.601 -4.668 1.00 25.00 C ATOM 765 O ALA A 632 3.557 -2.592 -4.053 1.00 25.00 O ATOM 766 CB ALA A 632 0.562 -2.652 -3.090 1.00 25.00 C ATOM 0 H ALA A 632 -0.457 -2.064 -5.285 1.00 25.00 H new ATOM 0 HA ALA A 632 1.653 -0.897 -3.689 1.00 25.00 H new ATOM 0 HB1 ALA A 632 1.262 -2.931 -2.303 1.00 25.00 H new ATOM 0 HB2 ALA A 632 -0.255 -2.072 -2.660 1.00 25.00 H new ATOM 0 HB3 ALA A 632 0.162 -3.553 -3.556 1.00 25.00 H new ATOM 772 N LYS A 633 2.303 -3.274 -5.815 1.00 25.00 N ATOM 773 CA LYS A 633 3.345 -4.122 -6.410 1.00 25.00 C ATOM 774 C LYS A 633 4.527 -3.310 -6.961 1.00 25.00 C ATOM 775 O LYS A 633 5.653 -3.814 -7.026 1.00 25.00 O ATOM 776 CB LYS A 633 2.750 -4.984 -7.531 1.00 25.00 C ATOM 777 CG LYS A 633 2.003 -6.229 -7.046 1.00 25.00 C ATOM 778 CD LYS A 633 1.292 -6.958 -8.185 1.00 25.00 C ATOM 779 CE LYS A 633 1.068 -8.434 -7.874 1.00 25.00 C ATOM 780 NZ LYS A 633 -0.284 -8.905 -8.292 1.00 25.00 N ATOM 0 H LYS A 633 1.436 -3.246 -6.351 1.00 25.00 H new ATOM 0 HA LYS A 633 3.728 -4.757 -5.611 1.00 25.00 H new ATOM 0 HB2 LYS A 633 2.066 -4.372 -8.119 1.00 25.00 H new ATOM 0 HB3 LYS A 633 3.554 -5.295 -8.198 1.00 25.00 H new ATOM 0 HG2 LYS A 633 2.707 -6.909 -6.566 1.00 25.00 H new ATOM 0 HG3 LYS A 633 1.273 -5.941 -6.290 1.00 25.00 H new ATOM 0 HD2 LYS A 633 0.332 -6.479 -8.377 1.00 25.00 H new ATOM 0 HD3 LYS A 633 1.882 -6.866 -9.097 1.00 25.00 H new ATOM 0 HE2 LYS A 633 1.829 -9.028 -8.380 1.00 25.00 H new ATOM 0 HE3 LYS A 633 1.193 -8.600 -6.804 1.00 25.00 H new ATOM 0 HZ1 LYS A 633 -0.776 -9.318 -7.474 1.00 25.00 H new ATOM 0 HZ2 LYS A 633 -0.834 -8.101 -8.657 1.00 25.00 H new ATOM 0 HZ3 LYS A 633 -0.186 -9.624 -9.037 1.00 25.00 H new ATOM 794 N LYS A 634 4.257 -2.056 -7.351 1.00 25.00 N ATOM 795 CA LYS A 634 5.266 -1.175 -7.952 1.00 25.00 C ATOM 796 C LYS A 634 6.128 -0.508 -6.886 1.00 25.00 C ATOM 797 O LYS A 634 7.329 -0.298 -7.086 1.00 25.00 O ATOM 798 CB LYS A 634 4.616 -0.054 -8.777 1.00 25.00 C ATOM 799 CG LYS A 634 3.815 -0.519 -9.984 1.00 25.00 C ATOM 800 CD LYS A 634 4.678 -1.193 -11.064 1.00 25.00 C ATOM 801 CE LYS A 634 3.881 -1.628 -12.304 1.00 25.00 C ATOM 802 NZ LYS A 634 2.948 -2.754 -12.013 1.00 25.00 N ATOM 0 H LYS A 634 3.337 -1.626 -7.259 1.00 25.00 H new ATOM 0 HA LYS A 634 5.877 -1.811 -8.593 1.00 25.00 H new ATOM 0 HB2 LYS A 634 3.959 0.521 -8.125 1.00 25.00 H new ATOM 0 HB3 LYS A 634 5.398 0.624 -9.119 1.00 25.00 H new ATOM 0 HG2 LYS A 634 3.047 -1.218 -9.654 1.00 25.00 H new ATOM 0 HG3 LYS A 634 3.301 0.337 -10.421 1.00 25.00 H new ATOM 0 HD2 LYS A 634 5.465 -0.504 -11.371 1.00 25.00 H new ATOM 0 HD3 LYS A 634 5.169 -2.066 -10.633 1.00 25.00 H new ATOM 0 HE2 LYS A 634 3.314 -0.779 -12.684 1.00 25.00 H new ATOM 0 HE3 LYS A 634 4.573 -1.927 -13.091 1.00 25.00 H new ATOM 0 HZ1 LYS A 634 2.434 -3.011 -12.879 1.00 25.00 H new ATOM 0 HZ2 LYS A 634 3.490 -3.575 -11.675 1.00 25.00 H new ATOM 0 HZ3 LYS A 634 2.269 -2.462 -11.281 1.00 25.00 H new ATOM 816 N VAL A 635 5.494 -0.184 -5.747 1.00 25.00 N ATOM 817 CA VAL A 635 6.097 0.677 -4.727 1.00 25.00 C ATOM 818 C VAL A 635 7.263 -0.006 -3.991 1.00 25.00 C ATOM 819 O VAL A 635 8.331 0.588 -3.849 1.00 25.00 O ATOM 820 CB VAL A 635 5.036 1.229 -3.712 1.00 25.00 C ATOM 821 CG1 VAL A 635 5.711 1.965 -2.559 1.00 25.00 C ATOM 822 CG2 VAL A 635 3.987 2.142 -4.356 1.00 25.00 C ATOM 0 H VAL A 635 4.557 -0.511 -5.512 1.00 25.00 H new ATOM 0 HA VAL A 635 6.511 1.530 -5.265 1.00 25.00 H new ATOM 0 HB VAL A 635 4.511 0.351 -3.336 1.00 25.00 H new ATOM 0 HG11 VAL A 635 4.952 2.337 -1.871 1.00 25.00 H new ATOM 0 HG12 VAL A 635 6.376 1.282 -2.031 1.00 25.00 H new ATOM 0 HG13 VAL A 635 6.288 2.803 -2.950 1.00 25.00 H new ATOM 0 HG21 VAL A 635 3.287 2.486 -3.594 1.00 25.00 H new ATOM 0 HG22 VAL A 635 4.481 3.001 -4.809 1.00 25.00 H new ATOM 0 HG23 VAL A 635 3.445 1.589 -5.124 1.00 25.00 H new ATOM 832 N GLU A 636 7.058 -1.271 -3.571 1.00 25.00 N ATOM 833 CA GLU A 636 8.043 -2.035 -2.775 1.00 25.00 C ATOM 834 C GLU A 636 9.418 -2.113 -3.471 1.00 25.00 C ATOM 835 O GLU A 636 10.455 -2.173 -2.802 1.00 25.00 O ATOM 836 CB GLU A 636 7.512 -3.462 -2.535 1.00 25.00 C ATOM 837 CG GLU A 636 7.209 -4.268 -3.800 1.00 25.00 C ATOM 838 CD GLU A 636 8.417 -4.997 -4.373 1.00 25.00 C ATOM 839 OE1 GLU A 636 9.447 -5.083 -3.671 1.00 25.00 O ATOM 840 OE2 GLU A 636 8.329 -5.483 -5.520 1.00 25.00 O ATOM 0 H GLU A 636 6.205 -1.793 -3.774 1.00 25.00 H new ATOM 0 HA GLU A 636 8.179 -1.513 -1.828 1.00 25.00 H new ATOM 0 HB2 GLU A 636 8.244 -4.010 -1.942 1.00 25.00 H new ATOM 0 HB3 GLU A 636 6.602 -3.398 -1.938 1.00 25.00 H new ATOM 0 HG2 GLU A 636 6.430 -4.997 -3.576 1.00 25.00 H new ATOM 0 HG3 GLU A 636 6.809 -3.596 -4.559 1.00 25.00 H new ATOM 847 N GLY A 637 9.406 -2.108 -4.814 1.00 25.00 N ATOM 848 CA GLY A 637 10.641 -2.141 -5.597 1.00 25.00 C ATOM 849 C GLY A 637 11.315 -0.779 -5.710 1.00 25.00 C ATOM 850 O GLY A 637 12.509 -0.698 -6.014 1.00 25.00 O ATOM 0 H GLY A 637 8.554 -2.081 -5.374 1.00 25.00 H new ATOM 0 HA2 GLY A 637 11.335 -2.846 -5.140 1.00 25.00 H new ATOM 0 HA3 GLY A 637 10.420 -2.514 -6.597 1.00 25.00 H new ATOM 854 N ASP A 638 10.540 0.287 -5.463 1.00 25.00 N ATOM 855 CA ASP A 638 11.050 1.662 -5.490 1.00 25.00 C ATOM 856 C ASP A 638 11.676 2.045 -4.134 1.00 25.00 C ATOM 857 O ASP A 638 12.468 2.989 -4.056 1.00 25.00 O ATOM 858 CB ASP A 638 9.913 2.631 -5.855 1.00 25.00 C ATOM 859 CG ASP A 638 9.553 2.605 -7.333 1.00 25.00 C ATOM 860 OD1 ASP A 638 10.356 2.078 -8.130 1.00 25.00 O ATOM 861 OD2 ASP A 638 8.469 3.112 -7.689 1.00 25.00 O ATOM 0 H ASP A 638 9.547 0.219 -5.240 1.00 25.00 H new ATOM 0 HA ASP A 638 11.831 1.730 -6.247 1.00 25.00 H new ATOM 0 HB2 ASP A 638 9.029 2.381 -5.268 1.00 25.00 H new ATOM 0 HB3 ASP A 638 10.204 3.644 -5.577 1.00 25.00 H new ATOM 866 N MET A 639 11.311 1.299 -3.076 1.00 25.00 N ATOM 867 CA MET A 639 11.868 1.508 -1.729 1.00 25.00 C ATOM 868 C MET A 639 13.316 1.008 -1.617 1.00 25.00 C ATOM 869 O MET A 639 14.058 1.436 -0.726 1.00 25.00 O ATOM 870 CB MET A 639 11.015 0.806 -0.665 1.00 25.00 C ATOM 871 CG MET A 639 9.581 1.281 -0.622 1.00 25.00 C ATOM 872 SD MET A 639 8.718 0.774 0.864 1.00 25.00 S ATOM 873 CE MET A 639 9.018 -0.984 0.816 1.00 25.00 C ATOM 0 H MET A 639 10.629 0.542 -3.130 1.00 25.00 H new ATOM 0 HA MET A 639 11.858 2.584 -1.557 1.00 25.00 H new ATOM 0 HB2 MET A 639 11.027 -0.268 -0.853 1.00 25.00 H new ATOM 0 HB3 MET A 639 11.469 0.963 0.313 1.00 25.00 H new ATOM 0 HG2 MET A 639 9.562 2.369 -0.693 1.00 25.00 H new ATOM 0 HG3 MET A 639 9.050 0.896 -1.493 1.00 25.00 H new ATOM 0 HE1 MET A 639 8.067 -1.516 0.823 1.00 25.00 H new ATOM 0 HE2 MET A 639 9.567 -1.235 -0.092 1.00 25.00 H new ATOM 0 HE3 MET A 639 9.604 -1.277 1.687 1.00 25.00 H new ATOM 883 N TYR A 640 13.706 0.109 -2.530 1.00 25.00 N ATOM 884 CA TYR A 640 15.031 -0.521 -2.508 1.00 25.00 C ATOM 885 C TYR A 640 16.117 0.411 -3.068 1.00 25.00 C ATOM 886 O TYR A 640 17.270 0.356 -2.632 1.00 25.00 O ATOM 887 CB TYR A 640 14.992 -1.827 -3.315 1.00 25.00 C ATOM 888 CG TYR A 640 15.928 -1.846 -4.508 1.00 25.00 C ATOM 889 CD1 TYR A 640 17.305 -1.750 -4.343 1.00 25.00 C ATOM 890 CD2 TYR A 640 15.428 -1.960 -5.800 1.00 25.00 C ATOM 891 CE1 TYR A 640 18.155 -1.768 -5.434 1.00 25.00 C ATOM 892 CE2 TYR A 640 16.271 -1.979 -6.892 1.00 25.00 C ATOM 893 CZ TYR A 640 17.657 -1.879 -6.685 1.00 25.00 C ATOM 894 OH TYR A 640 18.473 -1.903 -7.792 1.00 25.00 O ATOM 0 H TYR A 640 13.114 -0.200 -3.301 1.00 25.00 H new ATOM 0 HA TYR A 640 15.285 -0.734 -1.470 1.00 25.00 H new ATOM 0 HB2 TYR A 640 15.245 -2.657 -2.655 1.00 25.00 H new ATOM 0 HB3 TYR A 640 13.973 -1.996 -3.663 1.00 25.00 H new ATOM 0 HD1 TYR A 640 17.717 -1.660 -3.349 1.00 25.00 H new ATOM 0 HD2 TYR A 640 14.361 -2.035 -5.952 1.00 25.00 H new ATOM 0 HE1 TYR A 640 19.222 -1.693 -5.285 1.00 25.00 H new ATOM 0 HE2 TYR A 640 15.871 -2.069 -7.891 1.00 25.00 H new ATOM 0 HH TYR A 640 18.827 -1.004 -7.957 1.00 25.00 H new ATOM 904 N GLU A 641 15.734 1.260 -4.032 1.00 25.00 N ATOM 905 CA GLU A 641 16.661 2.213 -4.663 1.00 25.00 C ATOM 906 C GLU A 641 16.727 3.543 -3.897 1.00 25.00 C ATOM 907 O GLU A 641 17.716 4.276 -4.003 1.00 25.00 O ATOM 908 CB GLU A 641 16.251 2.479 -6.119 1.00 25.00 C ATOM 909 CG GLU A 641 16.510 1.318 -7.063 1.00 25.00 C ATOM 910 CD GLU A 641 17.787 1.488 -7.864 1.00 25.00 C ATOM 911 OE1 GLU A 641 17.712 2.019 -8.992 1.00 25.00 O ATOM 912 OE2 GLU A 641 18.860 1.091 -7.364 1.00 25.00 O ATOM 0 H GLU A 641 14.782 1.307 -4.395 1.00 25.00 H new ATOM 0 HA GLU A 641 17.652 1.759 -4.639 1.00 25.00 H new ATOM 0 HB2 GLU A 641 15.189 2.724 -6.146 1.00 25.00 H new ATOM 0 HB3 GLU A 641 16.790 3.354 -6.482 1.00 25.00 H new ATOM 0 HG2 GLU A 641 16.567 0.394 -6.488 1.00 25.00 H new ATOM 0 HG3 GLU A 641 15.668 1.217 -7.747 1.00 25.00 H new ATOM 919 N SER A 642 15.672 3.839 -3.123 1.00 25.00 N ATOM 920 CA SER A 642 15.560 5.107 -2.394 1.00 25.00 C ATOM 921 C SER A 642 16.160 5.016 -0.984 1.00 25.00 C ATOM 922 O SER A 642 16.890 5.916 -0.560 1.00 25.00 O ATOM 923 CB SER A 642 14.090 5.537 -2.312 1.00 25.00 C ATOM 924 OG SER A 642 13.510 5.624 -3.603 1.00 25.00 O ATOM 0 H SER A 642 14.880 3.211 -2.987 1.00 25.00 H new ATOM 0 HA SER A 642 16.130 5.854 -2.946 1.00 25.00 H new ATOM 0 HB2 SER A 642 13.532 4.822 -1.707 1.00 25.00 H new ATOM 0 HB3 SER A 642 14.018 6.503 -1.812 1.00 25.00 H new ATOM 0 HG SER A 642 13.124 4.757 -3.847 1.00 25.00 H new ATOM 930 N ALA A 643 15.847 3.926 -0.272 1.00 25.00 N ATOM 931 CA ALA A 643 16.329 3.710 1.096 1.00 25.00 C ATOM 932 C ALA A 643 17.661 2.950 1.122 1.00 25.00 C ATOM 933 O ALA A 643 18.021 2.277 0.150 1.00 25.00 O ATOM 934 CB ALA A 643 15.279 2.957 1.888 1.00 25.00 C ATOM 0 H ALA A 643 15.256 3.174 -0.626 1.00 25.00 H new ATOM 0 HA ALA A 643 16.506 4.685 1.550 1.00 25.00 H new ATOM 0 HB1 ALA A 643 15.636 2.796 2.905 1.00 25.00 H new ATOM 0 HB2 ALA A 643 14.357 3.538 1.915 1.00 25.00 H new ATOM 0 HB3 ALA A 643 15.087 1.994 1.414 1.00 25.00 H new ATOM 940 N ASN A 644 18.381 3.066 2.249 1.00 25.00 N ATOM 941 CA ASN A 644 19.693 2.427 2.420 1.00 25.00 C ATOM 942 C ASN A 644 19.691 1.443 3.606 1.00 25.00 C ATOM 943 O ASN A 644 20.551 0.561 3.683 1.00 25.00 O ATOM 944 CB ASN A 644 20.773 3.507 2.626 1.00 25.00 C ATOM 945 CG ASN A 644 20.977 4.402 1.412 1.00 25.00 C ATOM 946 OD1 ASN A 644 21.491 3.967 0.383 1.00 25.00 O ATOM 947 ND2 ASN A 644 20.585 5.667 1.538 1.00 25.00 N ATOM 0 H ASN A 644 18.072 3.601 3.061 1.00 25.00 H new ATOM 0 HA ASN A 644 19.915 1.857 1.518 1.00 25.00 H new ATOM 0 HB2 ASN A 644 20.499 4.125 3.481 1.00 25.00 H new ATOM 0 HB3 ASN A 644 21.718 3.022 2.873 1.00 25.00 H new ATOM 0 HD21 ASN A 644 20.707 6.318 0.762 1.00 25.00 H new ATOM 0 HD22 ASN A 644 20.163 5.986 2.410 1.00 25.00 H new ATOM 954 N SER A 645 18.721 1.601 4.519 1.00 25.00 N ATOM 955 CA SER A 645 18.643 0.777 5.733 1.00 25.00 C ATOM 956 C SER A 645 17.223 0.241 5.931 1.00 25.00 C ATOM 957 O SER A 645 16.264 0.797 5.394 1.00 25.00 O ATOM 958 CB SER A 645 19.062 1.606 6.956 1.00 25.00 C ATOM 959 OG SER A 645 18.094 2.595 7.259 1.00 25.00 O ATOM 0 H SER A 645 17.978 2.295 4.438 1.00 25.00 H new ATOM 0 HA SER A 645 19.321 -0.069 5.621 1.00 25.00 H new ATOM 0 HB2 SER A 645 19.196 0.949 7.815 1.00 25.00 H new ATOM 0 HB3 SER A 645 20.024 2.081 6.765 1.00 25.00 H new ATOM 0 HG SER A 645 18.384 3.107 8.042 1.00 25.00 H new ATOM 965 N ARG A 646 17.104 -0.846 6.719 1.00 25.00 N ATOM 966 CA ARG A 646 15.821 -1.546 6.933 1.00 25.00 C ATOM 967 C ARG A 646 14.814 -0.719 7.745 1.00 25.00 C ATOM 968 O ARG A 646 13.615 -1.001 7.709 1.00 25.00 O ATOM 969 CB ARG A 646 16.039 -2.898 7.624 1.00 25.00 C ATOM 970 CG ARG A 646 15.676 -2.908 9.105 1.00 25.00 C ATOM 971 CD ARG A 646 16.019 -4.241 9.766 1.00 25.00 C ATOM 972 NE ARG A 646 15.752 -4.242 11.213 1.00 25.00 N ATOM 973 CZ ARG A 646 16.556 -3.697 12.139 1.00 25.00 C ATOM 974 NH1 ARG A 646 17.690 -3.086 11.798 1.00 25.00 N ATOM 975 NH2 ARG A 646 16.218 -3.764 13.419 1.00 25.00 N ATOM 0 H ARG A 646 17.888 -1.261 7.222 1.00 25.00 H new ATOM 0 HA ARG A 646 15.399 -1.702 5.940 1.00 25.00 H new ATOM 0 HB2 ARG A 646 15.446 -3.655 7.111 1.00 25.00 H new ATOM 0 HB3 ARG A 646 17.085 -3.184 7.516 1.00 25.00 H new ATOM 0 HG2 ARG A 646 16.206 -2.103 9.614 1.00 25.00 H new ATOM 0 HG3 ARG A 646 14.610 -2.710 9.219 1.00 25.00 H new ATOM 0 HD2 ARG A 646 15.441 -5.036 9.293 1.00 25.00 H new ATOM 0 HD3 ARG A 646 17.071 -4.467 9.595 1.00 25.00 H new ATOM 0 HE ARG A 646 14.894 -4.689 11.536 1.00 25.00 H new ATOM 0 HH11 ARG A 646 17.962 -3.026 10.817 1.00 25.00 H new ATOM 0 HH12 ARG A 646 18.286 -2.679 12.518 1.00 25.00 H new ATOM 0 HH21 ARG A 646 15.352 -4.227 13.694 1.00 25.00 H new ATOM 0 HH22 ARG A 646 16.824 -3.352 14.129 1.00 25.00 H new ATOM 989 N ASP A 647 15.310 0.286 8.480 1.00 25.00 N ATOM 990 CA ASP A 647 14.448 1.190 9.254 1.00 25.00 C ATOM 991 C ASP A 647 13.854 2.284 8.349 1.00 25.00 C ATOM 992 O ASP A 647 12.747 2.769 8.601 1.00 25.00 O ATOM 993 CB ASP A 647 15.245 1.812 10.413 1.00 25.00 C ATOM 994 CG ASP A 647 15.733 0.787 11.427 1.00 25.00 C ATOM 995 OD1 ASP A 647 15.029 -0.224 11.635 1.00 25.00 O ATOM 996 OD2 ASP A 647 16.817 0.998 12.011 1.00 25.00 O ATOM 0 H ASP A 647 16.306 0.494 8.555 1.00 25.00 H new ATOM 0 HA ASP A 647 13.621 0.615 9.670 1.00 25.00 H new ATOM 0 HB2 ASP A 647 16.103 2.349 10.008 1.00 25.00 H new ATOM 0 HB3 ASP A 647 14.620 2.547 10.921 1.00 25.00 H new ATOM 1001 N GLU A 648 14.604 2.659 7.301 1.00 25.00 N ATOM 1002 CA GLU A 648 14.143 3.636 6.310 1.00 25.00 C ATOM 1003 C GLU A 648 13.330 2.937 5.207 1.00 25.00 C ATOM 1004 O GLU A 648 12.256 3.404 4.836 1.00 25.00 O ATOM 1005 CB GLU A 648 15.348 4.395 5.719 1.00 25.00 C ATOM 1006 CG GLU A 648 16.136 5.224 6.731 1.00 25.00 C ATOM 1007 CD GLU A 648 15.295 6.301 7.389 1.00 25.00 C ATOM 1008 OE1 GLU A 648 14.541 6.989 6.672 1.00 25.00 O ATOM 1009 OE2 GLU A 648 15.391 6.456 8.625 1.00 25.00 O ATOM 0 H GLU A 648 15.540 2.295 7.120 1.00 25.00 H new ATOM 0 HA GLU A 648 13.490 4.359 6.798 1.00 25.00 H new ATOM 0 HB2 GLU A 648 16.022 3.675 5.255 1.00 25.00 H new ATOM 0 HB3 GLU A 648 14.992 5.054 4.927 1.00 25.00 H new ATOM 0 HG2 GLU A 648 16.539 4.564 7.499 1.00 25.00 H new ATOM 0 HG3 GLU A 648 16.986 5.688 6.231 1.00 25.00 H new ATOM 1016 N TYR A 649 13.856 1.803 4.712 1.00 25.00 N ATOM 1017 CA TYR A 649 13.207 0.988 3.668 1.00 25.00 C ATOM 1018 C TYR A 649 11.781 0.569 4.083 1.00 25.00 C ATOM 1019 O TYR A 649 10.825 0.773 3.329 1.00 25.00 O ATOM 1020 CB TYR A 649 14.127 -0.226 3.358 1.00 25.00 C ATOM 1021 CG TYR A 649 13.582 -1.272 2.399 1.00 25.00 C ATOM 1022 CD1 TYR A 649 13.657 -1.067 1.028 1.00 25.00 C ATOM 1023 CD2 TYR A 649 12.997 -2.447 2.856 1.00 25.00 C ATOM 1024 CE1 TYR A 649 13.169 -1.995 0.139 1.00 25.00 C ATOM 1025 CE2 TYR A 649 12.505 -3.386 1.970 1.00 25.00 C ATOM 1026 CZ TYR A 649 12.593 -3.156 0.611 1.00 25.00 C ATOM 1027 OH TYR A 649 12.104 -4.088 -0.276 1.00 25.00 O ATOM 0 H TYR A 649 14.749 1.423 5.026 1.00 25.00 H new ATOM 0 HA TYR A 649 13.081 1.574 2.757 1.00 25.00 H new ATOM 0 HB2 TYR A 649 15.064 0.153 2.950 1.00 25.00 H new ATOM 0 HB3 TYR A 649 14.366 -0.720 4.300 1.00 25.00 H new ATOM 0 HD1 TYR A 649 14.108 -0.160 0.652 1.00 25.00 H new ATOM 0 HD2 TYR A 649 12.926 -2.629 3.918 1.00 25.00 H new ATOM 0 HE1 TYR A 649 13.236 -1.816 -0.924 1.00 25.00 H new ATOM 0 HE2 TYR A 649 12.054 -4.295 2.338 1.00 25.00 H new ATOM 0 HH TYR A 649 11.732 -4.848 0.219 1.00 25.00 H new ATOM 1037 N TYR A 650 11.665 -0.017 5.280 1.00 25.00 N ATOM 1038 CA TYR A 650 10.369 -0.354 5.883 1.00 25.00 C ATOM 1039 C TYR A 650 9.510 0.889 6.196 1.00 25.00 C ATOM 1040 O TYR A 650 8.301 0.766 6.424 1.00 25.00 O ATOM 1041 CB TYR A 650 10.590 -1.165 7.169 1.00 25.00 C ATOM 1042 CG TYR A 650 11.342 -2.471 6.968 1.00 25.00 C ATOM 1043 CD1 TYR A 650 11.481 -3.037 5.702 1.00 25.00 C ATOM 1044 CD2 TYR A 650 11.909 -3.142 8.046 1.00 25.00 C ATOM 1045 CE1 TYR A 650 12.155 -4.226 5.521 1.00 25.00 C ATOM 1046 CE2 TYR A 650 12.589 -4.333 7.870 1.00 25.00 C ATOM 1047 CZ TYR A 650 12.734 -4.853 6.593 1.00 25.00 C ATOM 1048 OH TYR A 650 13.378 -6.059 6.430 1.00 25.00 O ATOM 0 H TYR A 650 12.466 -0.271 5.858 1.00 25.00 H new ATOM 0 HA TYR A 650 9.821 -0.945 5.149 1.00 25.00 H new ATOM 0 HB2 TYR A 650 11.139 -0.550 7.882 1.00 25.00 H new ATOM 0 HB3 TYR A 650 9.621 -1.384 7.617 1.00 25.00 H new ATOM 0 HD1 TYR A 650 11.053 -2.535 4.847 1.00 25.00 H new ATOM 0 HD2 TYR A 650 11.817 -2.726 9.038 1.00 25.00 H new ATOM 0 HE1 TYR A 650 12.227 -4.663 4.536 1.00 25.00 H new ATOM 0 HE2 TYR A 650 13.004 -4.854 8.720 1.00 25.00 H new ATOM 0 HH TYR A 650 13.731 -6.361 7.293 1.00 25.00 H new ATOM 1058 N HIS A 651 10.137 2.080 6.198 1.00 25.00 N ATOM 1059 CA HIS A 651 9.452 3.328 6.565 1.00 25.00 C ATOM 1060 C HIS A 651 8.676 3.934 5.385 1.00 25.00 C ATOM 1061 O HIS A 651 7.541 4.370 5.573 1.00 25.00 O ATOM 1062 CB HIS A 651 10.461 4.342 7.136 1.00 25.00 C ATOM 1063 CG HIS A 651 10.004 5.042 8.388 1.00 25.00 C ATOM 1064 ND1 HIS A 651 10.200 4.527 9.653 1.00 25.00 N ATOM 1065 CD2 HIS A 651 9.341 6.214 8.560 1.00 25.00 C ATOM 1066 CE1 HIS A 651 9.677 5.349 10.547 1.00 25.00 C ATOM 1067 NE2 HIS A 651 9.152 6.378 9.910 1.00 25.00 N ATOM 0 H HIS A 651 11.119 2.202 5.949 1.00 25.00 H new ATOM 0 HA HIS A 651 8.719 3.086 7.334 1.00 25.00 H new ATOM 0 HB2 HIS A 651 11.397 3.825 7.346 1.00 25.00 H new ATOM 0 HB3 HIS A 651 10.675 5.091 6.374 1.00 25.00 H new ATOM 0 HD2 HIS A 651 9.022 6.891 7.781 1.00 25.00 H new ATOM 0 HE1 HIS A 651 9.679 5.203 11.617 1.00 25.00 H new ATOM 0 HE2 HIS A 651 8.681 7.169 10.350 1.00 25.00 H new ATOM 1076 N LEU A 652 9.271 3.947 4.170 1.00 25.00 N ATOM 1077 CA LEU A 652 8.596 4.477 2.973 1.00 25.00 C ATOM 1078 C LEU A 652 7.283 3.731 2.663 1.00 25.00 C ATOM 1079 O LEU A 652 6.391 4.283 2.010 1.00 25.00 O ATOM 1080 CB LEU A 652 9.522 4.396 1.742 1.00 25.00 C ATOM 1081 CG LEU A 652 10.795 5.284 1.685 1.00 25.00 C ATOM 1082 CD1 LEU A 652 11.717 4.925 0.526 1.00 25.00 C ATOM 1083 CD2 LEU A 652 10.443 6.764 1.666 1.00 25.00 C ATOM 0 H LEU A 652 10.213 3.597 3.998 1.00 25.00 H new ATOM 0 HA LEU A 652 8.356 5.518 3.190 1.00 25.00 H new ATOM 0 HB2 LEU A 652 9.842 3.359 1.641 1.00 25.00 H new ATOM 0 HB3 LEU A 652 8.920 4.631 0.864 1.00 25.00 H new ATOM 0 HG LEU A 652 11.350 5.078 2.601 1.00 25.00 H new ATOM 0 HD11 LEU A 652 12.589 5.579 0.538 1.00 25.00 H new ATOM 0 HD12 LEU A 652 12.040 3.889 0.625 1.00 25.00 H new ATOM 0 HD13 LEU A 652 11.183 5.050 -0.416 1.00 25.00 H new ATOM 0 HD21 LEU A 652 11.358 7.355 1.626 1.00 25.00 H new ATOM 0 HD22 LEU A 652 9.832 6.981 0.790 1.00 25.00 H new ATOM 0 HD23 LEU A 652 9.887 7.017 2.568 1.00 25.00 H new ATOM 1095 N LEU A 653 7.179 2.480 3.142 1.00 25.00 N ATOM 1096 CA LEU A 653 5.968 1.664 2.979 1.00 25.00 C ATOM 1097 C LEU A 653 4.982 1.932 4.119 1.00 25.00 C ATOM 1098 O LEU A 653 3.767 1.915 3.913 1.00 25.00 O ATOM 1099 CB LEU A 653 6.317 0.170 2.945 1.00 25.00 C ATOM 1100 CG LEU A 653 5.143 -0.806 2.785 1.00 25.00 C ATOM 1101 CD1 LEU A 653 5.320 -1.612 1.523 1.00 25.00 C ATOM 1102 CD2 LEU A 653 5.017 -1.740 3.979 1.00 25.00 C ATOM 0 H LEU A 653 7.928 2.010 3.650 1.00 25.00 H new ATOM 0 HA LEU A 653 5.505 1.940 2.032 1.00 25.00 H new ATOM 0 HB2 LEU A 653 7.014 0.002 2.124 1.00 25.00 H new ATOM 0 HB3 LEU A 653 6.843 -0.078 3.867 1.00 25.00 H new ATOM 0 HG LEU A 653 4.227 -0.218 2.725 1.00 25.00 H new ATOM 0 HD11 LEU A 653 4.485 -2.304 1.413 1.00 25.00 H new ATOM 0 HD12 LEU A 653 5.351 -0.941 0.664 1.00 25.00 H new ATOM 0 HD13 LEU A 653 6.252 -2.175 1.578 1.00 25.00 H new ATOM 0 HD21 LEU A 653 4.174 -2.414 3.826 1.00 25.00 H new ATOM 0 HD22 LEU A 653 5.933 -2.322 4.084 1.00 25.00 H new ATOM 0 HD23 LEU A 653 4.853 -1.154 4.884 1.00 25.00 H new ATOM 1114 N ALA A 654 5.530 2.181 5.322 1.00 25.00 N ATOM 1115 CA ALA A 654 4.731 2.531 6.503 1.00 25.00 C ATOM 1116 C ALA A 654 4.168 3.954 6.394 1.00 25.00 C ATOM 1117 O ALA A 654 3.171 4.286 7.042 1.00 25.00 O ATOM 1118 CB ALA A 654 5.572 2.394 7.765 1.00 25.00 C ATOM 0 H ALA A 654 6.534 2.145 5.499 1.00 25.00 H new ATOM 0 HA ALA A 654 3.890 1.840 6.557 1.00 25.00 H new ATOM 0 HB1 ALA A 654 4.969 2.656 8.634 1.00 25.00 H new ATOM 0 HB2 ALA A 654 5.919 1.365 7.861 1.00 25.00 H new ATOM 0 HB3 ALA A 654 6.431 3.062 7.704 1.00 25.00 H new ATOM 1124 N GLU A 655 4.823 4.782 5.561 1.00 25.00 N ATOM 1125 CA GLU A 655 4.393 6.168 5.324 1.00 25.00 C ATOM 1126 C GLU A 655 3.178 6.246 4.398 1.00 25.00 C ATOM 1127 O GLU A 655 2.310 7.096 4.602 1.00 25.00 O ATOM 1128 CB GLU A 655 5.539 7.017 4.755 1.00 25.00 C ATOM 1129 CG GLU A 655 6.585 7.416 5.787 1.00 25.00 C ATOM 1130 CD GLU A 655 7.734 8.200 5.183 1.00 25.00 C ATOM 1131 OE1 GLU A 655 7.788 8.316 3.939 1.00 25.00 O ATOM 1132 OE2 GLU A 655 8.578 8.703 5.953 1.00 25.00 O ATOM 0 H GLU A 655 5.656 4.511 5.039 1.00 25.00 H new ATOM 0 HA GLU A 655 4.102 6.571 6.294 1.00 25.00 H new ATOM 0 HB2 GLU A 655 6.027 6.461 3.955 1.00 25.00 H new ATOM 0 HB3 GLU A 655 5.122 7.919 4.308 1.00 25.00 H new ATOM 0 HG2 GLU A 655 6.112 8.015 6.565 1.00 25.00 H new ATOM 0 HG3 GLU A 655 6.976 6.519 6.268 1.00 25.00 H new ATOM 1139 N LYS A 656 3.112 5.361 3.387 1.00 25.00 N ATOM 1140 CA LYS A 656 1.910 5.253 2.538 1.00 25.00 C ATOM 1141 C LYS A 656 0.776 4.617 3.343 1.00 25.00 C ATOM 1142 O LYS A 656 -0.398 4.876 3.094 1.00 25.00 O ATOM 1143 CB LYS A 656 2.150 4.404 1.272 1.00 25.00 C ATOM 1144 CG LYS A 656 3.062 5.025 0.206 1.00 25.00 C ATOM 1145 CD LYS A 656 3.179 4.152 -1.040 1.00 25.00 C ATOM 1146 CE LYS A 656 3.915 4.875 -2.158 1.00 25.00 C ATOM 1147 NZ LYS A 656 5.242 5.381 -1.713 1.00 25.00 N ATOM 0 H LYS A 656 3.865 4.719 3.140 1.00 25.00 H new ATOM 0 HA LYS A 656 1.651 6.263 2.220 1.00 25.00 H new ATOM 0 HB2 LYS A 656 2.578 3.449 1.576 1.00 25.00 H new ATOM 0 HB3 LYS A 656 1.184 4.189 0.815 1.00 25.00 H new ATOM 0 HG2 LYS A 656 2.674 6.004 -0.075 1.00 25.00 H new ATOM 0 HG3 LYS A 656 4.054 5.185 0.629 1.00 25.00 H new ATOM 0 HD2 LYS A 656 3.706 3.231 -0.792 1.00 25.00 H new ATOM 0 HD3 LYS A 656 2.184 3.868 -1.382 1.00 25.00 H new ATOM 0 HE2 LYS A 656 4.049 4.198 -3.002 1.00 25.00 H new ATOM 0 HE3 LYS A 656 3.309 5.709 -2.512 1.00 25.00 H new ATOM 0 HZ1 LYS A 656 5.774 5.730 -2.536 1.00 25.00 H new ATOM 0 HZ2 LYS A 656 5.108 6.156 -1.033 1.00 25.00 H new ATOM 0 HZ3 LYS A 656 5.773 4.610 -1.259 1.00 25.00 H new ATOM 1161 N ILE A 657 1.165 3.818 4.347 1.00 25.00 N ATOM 1162 CA ILE A 657 0.222 3.101 5.212 1.00 25.00 C ATOM 1163 C ILE A 657 -0.491 4.083 6.160 1.00 25.00 C ATOM 1164 O ILE A 657 -1.640 3.860 6.544 1.00 25.00 O ATOM 1165 CB ILE A 657 0.974 1.960 5.997 1.00 25.00 C ATOM 1166 CG1 ILE A 657 1.019 0.680 5.123 1.00 25.00 C ATOM 1167 CG2 ILE A 657 0.366 1.674 7.384 1.00 25.00 C ATOM 1168 CD1 ILE A 657 1.799 -0.497 5.711 1.00 25.00 C ATOM 0 H ILE A 657 2.144 3.652 4.581 1.00 25.00 H new ATOM 0 HA ILE A 657 -0.547 2.630 4.599 1.00 25.00 H new ATOM 0 HB ILE A 657 1.989 2.306 6.192 1.00 25.00 H new ATOM 0 HG12 ILE A 657 -0.004 0.356 4.933 1.00 25.00 H new ATOM 0 HG13 ILE A 657 1.456 0.936 4.158 1.00 25.00 H new ATOM 0 HG21 ILE A 657 0.930 0.879 7.872 1.00 25.00 H new ATOM 0 HG22 ILE A 657 0.410 2.576 7.994 1.00 25.00 H new ATOM 0 HG23 ILE A 657 -0.673 1.364 7.269 1.00 25.00 H new ATOM 0 HD11 ILE A 657 1.766 -1.338 5.018 1.00 25.00 H new ATOM 0 HD12 ILE A 657 2.836 -0.202 5.874 1.00 25.00 H new ATOM 0 HD13 ILE A 657 1.352 -0.791 6.661 1.00 25.00 H new ATOM 1180 N TYR A 658 0.202 5.169 6.515 1.00 25.00 N ATOM 1181 CA TYR A 658 -0.344 6.169 7.425 1.00 25.00 C ATOM 1182 C TYR A 658 -1.217 7.187 6.670 1.00 25.00 C ATOM 1183 O TYR A 658 -2.211 7.675 7.211 1.00 25.00 O ATOM 1184 CB TYR A 658 0.799 6.887 8.162 1.00 25.00 C ATOM 1185 CG TYR A 658 1.535 6.023 9.176 1.00 25.00 C ATOM 1186 CD1 TYR A 658 2.924 6.020 9.242 1.00 25.00 C ATOM 1187 CD2 TYR A 658 0.835 5.215 10.067 1.00 25.00 C ATOM 1188 CE1 TYR A 658 3.593 5.237 10.164 1.00 25.00 C ATOM 1189 CE2 TYR A 658 1.499 4.430 10.992 1.00 25.00 C ATOM 1190 CZ TYR A 658 2.885 4.440 11.025 1.00 25.00 C ATOM 1191 OH TYR A 658 3.540 3.668 11.957 1.00 25.00 O ATOM 0 H TYR A 658 1.144 5.374 6.183 1.00 25.00 H new ATOM 0 HA TYR A 658 -0.975 5.661 8.154 1.00 25.00 H new ATOM 0 HB2 TYR A 658 1.516 7.253 7.427 1.00 25.00 H new ATOM 0 HB3 TYR A 658 0.393 7.760 8.673 1.00 25.00 H new ATOM 0 HD1 TYR A 658 3.489 6.640 8.562 1.00 25.00 H new ATOM 0 HD2 TYR A 658 -0.244 5.201 10.036 1.00 25.00 H new ATOM 0 HE1 TYR A 658 4.672 5.253 10.206 1.00 25.00 H new ATOM 0 HE2 TYR A 658 0.942 3.814 11.683 1.00 25.00 H new ATOM 0 HH TYR A 658 2.884 3.166 12.485 1.00 25.00 H new ATOM 1201 N LYS A 659 -0.839 7.482 5.414 1.00 25.00 N ATOM 1202 CA LYS A 659 -1.543 8.482 4.585 1.00 25.00 C ATOM 1203 C LYS A 659 -2.851 7.937 4.005 1.00 25.00 C ATOM 1204 O LYS A 659 -3.801 8.697 3.790 1.00 25.00 O ATOM 1205 CB LYS A 659 -0.646 8.985 3.439 1.00 25.00 C ATOM 1206 CG LYS A 659 -1.247 10.100 2.564 1.00 25.00 C ATOM 1207 CD LYS A 659 -0.279 10.668 1.511 1.00 25.00 C ATOM 1208 CE LYS A 659 -0.906 11.754 0.645 1.00 25.00 C ATOM 1209 NZ LYS A 659 0.035 12.273 -0.388 1.00 25.00 N ATOM 0 H LYS A 659 -0.047 7.041 4.947 1.00 25.00 H new ATOM 0 HA LYS A 659 -1.784 9.314 5.247 1.00 25.00 H new ATOM 0 HB2 LYS A 659 0.289 9.347 3.866 1.00 25.00 H new ATOM 0 HB3 LYS A 659 -0.397 8.139 2.798 1.00 25.00 H new ATOM 0 HG2 LYS A 659 -2.130 9.712 2.057 1.00 25.00 H new ATOM 0 HG3 LYS A 659 -1.581 10.912 3.209 1.00 25.00 H new ATOM 0 HD2 LYS A 659 0.598 11.075 2.015 1.00 25.00 H new ATOM 0 HD3 LYS A 659 0.068 9.857 0.871 1.00 25.00 H new ATOM 0 HE2 LYS A 659 -1.795 11.356 0.155 1.00 25.00 H new ATOM 0 HE3 LYS A 659 -1.234 12.577 1.280 1.00 25.00 H new ATOM 0 HZ1 LYS A 659 -0.449 12.984 -0.972 1.00 25.00 H new ATOM 0 HZ2 LYS A 659 0.857 12.708 0.078 1.00 25.00 H new ATOM 0 HZ3 LYS A 659 0.355 11.489 -0.992 1.00 25.00 H new ATOM 1223 N ILE A 660 -2.893 6.619 3.755 1.00 25.00 N ATOM 1224 CA ILE A 660 -4.109 5.951 3.258 1.00 25.00 C ATOM 1225 C ILE A 660 -5.111 5.762 4.415 1.00 25.00 C ATOM 1226 O ILE A 660 -6.326 5.745 4.205 1.00 25.00 O ATOM 1227 CB ILE A 660 -3.772 4.584 2.575 1.00 25.00 C ATOM 1228 CG1 ILE A 660 -3.006 4.829 1.256 1.00 25.00 C ATOM 1229 CG2 ILE A 660 -5.051 3.780 2.309 1.00 25.00 C ATOM 1230 CD1 ILE A 660 -2.361 3.590 0.643 1.00 25.00 C ATOM 0 H ILE A 660 -2.099 5.993 3.889 1.00 25.00 H new ATOM 0 HA ILE A 660 -4.565 6.585 2.498 1.00 25.00 H new ATOM 0 HB ILE A 660 -3.141 4.005 3.249 1.00 25.00 H new ATOM 0 HG12 ILE A 660 -3.695 5.259 0.528 1.00 25.00 H new ATOM 0 HG13 ILE A 660 -2.229 5.572 1.438 1.00 25.00 H new ATOM 0 HG21 ILE A 660 -4.794 2.833 1.834 1.00 25.00 H new ATOM 0 HG22 ILE A 660 -5.561 3.585 3.252 1.00 25.00 H new ATOM 0 HG23 ILE A 660 -5.708 4.349 1.652 1.00 25.00 H new ATOM 0 HD11 ILE A 660 -1.848 3.865 -0.279 1.00 25.00 H new ATOM 0 HD12 ILE A 660 -1.643 3.168 1.346 1.00 25.00 H new ATOM 0 HD13 ILE A 660 -3.131 2.850 0.423 1.00 25.00 H new ATOM 1242 N GLN A 661 -4.569 5.619 5.627 1.00 25.00 N ATOM 1243 CA GLN A 661 -5.361 5.579 6.861 1.00 25.00 C ATOM 1244 C GLN A 661 -5.959 6.956 7.203 1.00 25.00 C ATOM 1245 O GLN A 661 -6.923 7.045 7.968 1.00 25.00 O ATOM 1246 CB GLN A 661 -4.485 5.074 8.013 1.00 25.00 C ATOM 1247 CG GLN A 661 -4.318 3.549 8.060 1.00 25.00 C ATOM 1248 CD GLN A 661 -3.262 3.034 9.034 1.00 25.00 C ATOM 1249 OE1 GLN A 661 -2.564 3.828 9.666 1.00 25.00 O ATOM 1250 NE2 GLN A 661 -3.133 1.721 9.169 1.00 25.00 N ATOM 0 H GLN A 661 -3.565 5.527 5.782 1.00 25.00 H new ATOM 0 HA GLN A 661 -6.196 4.895 6.708 1.00 25.00 H new ATOM 0 HB2 GLN A 661 -3.500 5.533 7.932 1.00 25.00 H new ATOM 0 HB3 GLN A 661 -4.917 5.409 8.956 1.00 25.00 H new ATOM 0 HG2 GLN A 661 -5.278 3.104 8.323 1.00 25.00 H new ATOM 0 HG3 GLN A 661 -4.067 3.197 7.059 1.00 25.00 H new ATOM 0 HE21 GLN A 661 -3.728 1.092 8.630 1.00 25.00 H new ATOM 0 HE22 GLN A 661 -2.439 1.340 9.812 1.00 25.00 H new ATOM 1259 N LYS A 662 -5.376 8.024 6.623 1.00 25.00 N ATOM 1260 CA LYS A 662 -5.861 9.401 6.818 1.00 25.00 C ATOM 1261 C LYS A 662 -7.087 9.711 5.946 1.00 25.00 C ATOM 1262 O LYS A 662 -8.028 10.366 6.405 1.00 25.00 O ATOM 1263 CB LYS A 662 -4.760 10.430 6.498 1.00 25.00 C ATOM 1264 CG LYS A 662 -5.133 11.914 6.688 1.00 25.00 C ATOM 1265 CD LYS A 662 -4.012 12.902 6.337 1.00 25.00 C ATOM 1266 CE LYS A 662 -4.443 14.342 6.499 1.00 25.00 C ATOM 1267 NZ LYS A 662 -3.390 15.301 6.071 1.00 25.00 N ATOM 0 H LYS A 662 -4.563 7.956 6.011 1.00 25.00 H new ATOM 0 HA LYS A 662 -6.145 9.476 7.868 1.00 25.00 H new ATOM 0 HB2 LYS A 662 -3.896 10.212 7.125 1.00 25.00 H new ATOM 0 HB3 LYS A 662 -4.448 10.286 5.464 1.00 25.00 H new ATOM 0 HG2 LYS A 662 -6.004 12.138 6.072 1.00 25.00 H new ATOM 0 HG3 LYS A 662 -5.427 12.072 7.726 1.00 25.00 H new ATOM 0 HD2 LYS A 662 -3.149 12.710 6.974 1.00 25.00 H new ATOM 0 HD3 LYS A 662 -3.692 12.735 5.308 1.00 25.00 H new ATOM 0 HE2 LYS A 662 -5.347 14.515 5.916 1.00 25.00 H new ATOM 0 HE3 LYS A 662 -4.697 14.527 7.543 1.00 25.00 H new ATOM 0 HZ1 LYS A 662 -3.733 16.274 6.201 1.00 25.00 H new ATOM 0 HZ2 LYS A 662 -2.535 15.156 6.644 1.00 25.00 H new ATOM 0 HZ3 LYS A 662 -3.165 15.145 5.068 1.00 25.00 H new ATOM 1281 N GLU A 663 -7.064 9.234 4.689 1.00 25.00 N ATOM 1282 CA GLU A 663 -8.109 9.530 3.700 1.00 25.00 C ATOM 1283 C GLU A 663 -9.452 8.858 4.039 1.00 25.00 C ATOM 1284 O GLU A 663 -10.512 9.471 3.888 1.00 25.00 O ATOM 1285 CB GLU A 663 -7.608 9.137 2.296 1.00 25.00 C ATOM 1286 CG GLU A 663 -6.439 9.954 1.750 1.00 25.00 C ATOM 1287 CD GLU A 663 -6.730 11.442 1.710 1.00 25.00 C ATOM 1288 OE1 GLU A 663 -7.793 11.824 1.174 1.00 25.00 O ATOM 1289 OE2 GLU A 663 -5.899 12.224 2.216 1.00 25.00 O ATOM 0 H GLU A 663 -6.320 8.633 4.333 1.00 25.00 H new ATOM 0 HA GLU A 663 -8.306 10.602 3.721 1.00 25.00 H new ATOM 0 HB2 GLU A 663 -7.314 8.088 2.317 1.00 25.00 H new ATOM 0 HB3 GLU A 663 -8.441 9.220 1.598 1.00 25.00 H new ATOM 0 HG2 GLU A 663 -5.558 9.777 2.367 1.00 25.00 H new ATOM 0 HG3 GLU A 663 -6.198 9.608 0.745 1.00 25.00 H new ATOM 1296 N LEU A 664 -9.386 7.594 4.486 1.00 25.00 N ATOM 1297 CA LEU A 664 -10.566 6.862 4.993 1.00 25.00 C ATOM 1298 C LEU A 664 -11.213 7.556 6.210 1.00 25.00 C ATOM 1299 O LEU A 664 -12.383 7.311 6.518 1.00 25.00 O ATOM 1300 CB LEU A 664 -10.197 5.408 5.383 1.00 25.00 C ATOM 1301 CG LEU A 664 -9.925 4.381 4.248 1.00 25.00 C ATOM 1302 CD1 LEU A 664 -9.446 3.040 4.798 1.00 25.00 C ATOM 1303 CD2 LEU A 664 -11.141 4.178 3.355 1.00 25.00 C ATOM 0 H LEU A 664 -8.523 7.051 4.508 1.00 25.00 H new ATOM 0 HA LEU A 664 -11.288 6.854 4.177 1.00 25.00 H new ATOM 0 HB2 LEU A 664 -9.308 5.449 6.013 1.00 25.00 H new ATOM 0 HB3 LEU A 664 -11.006 5.015 5.999 1.00 25.00 H new ATOM 0 HG LEU A 664 -9.127 4.806 3.639 1.00 25.00 H new ATOM 0 HD11 LEU A 664 -9.267 2.351 3.972 1.00 25.00 H new ATOM 0 HD12 LEU A 664 -8.521 3.185 5.356 1.00 25.00 H new ATOM 0 HD13 LEU A 664 -10.207 2.625 5.459 1.00 25.00 H new ATOM 0 HD21 LEU A 664 -10.904 3.453 2.577 1.00 25.00 H new ATOM 0 HD22 LEU A 664 -11.974 3.809 3.953 1.00 25.00 H new ATOM 0 HD23 LEU A 664 -11.417 5.127 2.895 1.00 25.00 H new ATOM 1315 N GLU A 665 -10.438 8.407 6.900 1.00 25.00 N ATOM 1316 CA GLU A 665 -10.941 9.186 8.043 1.00 25.00 C ATOM 1317 C GLU A 665 -11.584 10.504 7.586 1.00 25.00 C ATOM 1318 O GLU A 665 -12.347 11.119 8.336 1.00 25.00 O ATOM 1319 CB GLU A 665 -9.816 9.474 9.043 1.00 25.00 C ATOM 1320 CG GLU A 665 -9.296 8.239 9.769 1.00 25.00 C ATOM 1321 CD GLU A 665 -10.354 7.583 10.636 1.00 25.00 C ATOM 1322 OE1 GLU A 665 -10.906 8.270 11.522 1.00 25.00 O ATOM 1323 OE2 GLU A 665 -10.632 6.383 10.429 1.00 25.00 O ATOM 0 H GLU A 665 -9.455 8.574 6.685 1.00 25.00 H new ATOM 0 HA GLU A 665 -11.706 8.584 8.534 1.00 25.00 H new ATOM 0 HB2 GLU A 665 -8.988 9.947 8.515 1.00 25.00 H new ATOM 0 HB3 GLU A 665 -10.175 10.191 9.781 1.00 25.00 H new ATOM 0 HG2 GLU A 665 -8.933 7.518 9.037 1.00 25.00 H new ATOM 0 HG3 GLU A 665 -8.445 8.519 10.390 1.00 25.00 H new ATOM 1330 N GLU A 666 -11.270 10.923 6.348 1.00 25.00 N ATOM 1331 CA GLU A 666 -11.844 12.139 5.751 1.00 25.00 C ATOM 1332 C GLU A 666 -13.293 11.912 5.298 1.00 25.00 C ATOM 1333 O GLU A 666 -14.077 12.861 5.207 1.00 25.00 O ATOM 1334 CB GLU A 666 -10.995 12.608 4.559 1.00 25.00 C ATOM 1335 CG GLU A 666 -9.622 13.140 4.950 1.00 25.00 C ATOM 1336 CD GLU A 666 -9.704 14.347 5.868 1.00 25.00 C ATOM 1337 OE1 GLU A 666 -10.376 15.331 5.497 1.00 25.00 O ATOM 1338 OE2 GLU A 666 -9.094 14.305 6.959 1.00 25.00 O ATOM 0 H GLU A 666 -10.616 10.432 5.738 1.00 25.00 H new ATOM 0 HA GLU A 666 -11.842 12.912 6.519 1.00 25.00 H new ATOM 0 HB2 GLU A 666 -10.868 11.776 3.867 1.00 25.00 H new ATOM 0 HB3 GLU A 666 -11.537 13.388 4.024 1.00 25.00 H new ATOM 0 HG2 GLU A 666 -9.057 12.350 5.444 1.00 25.00 H new ATOM 0 HG3 GLU A 666 -9.071 13.410 4.049 1.00 25.00 H new ATOM 1345 N LYS A 667 -13.632 10.644 5.017 1.00 25.00 N ATOM 1346 CA LYS A 667 -15.000 10.250 4.656 1.00 25.00 C ATOM 1347 C LYS A 667 -15.848 9.970 5.914 1.00 25.00 C ATOM 1348 O LYS A 667 -17.080 10.040 5.872 1.00 25.00 O ATOM 1349 CB LYS A 667 -14.979 9.035 3.711 1.00 25.00 C ATOM 1350 CG LYS A 667 -14.211 9.266 2.414 1.00 25.00 C ATOM 1351 CD LYS A 667 -14.817 10.353 1.517 1.00 25.00 C ATOM 1352 CE LYS A 667 -14.031 10.600 0.227 1.00 25.00 C ATOM 1353 NZ LYS A 667 -12.632 11.059 0.471 1.00 25.00 N ATOM 0 H LYS A 667 -12.969 9.869 5.034 1.00 25.00 H new ATOM 0 HA LYS A 667 -15.468 11.081 4.127 1.00 25.00 H new ATOM 0 HB2 LYS A 667 -14.537 8.188 4.236 1.00 25.00 H new ATOM 0 HB3 LYS A 667 -16.005 8.760 3.468 1.00 25.00 H new ATOM 0 HG2 LYS A 667 -13.184 9.539 2.655 1.00 25.00 H new ATOM 0 HG3 LYS A 667 -14.169 8.330 1.856 1.00 25.00 H new ATOM 0 HD2 LYS A 667 -15.838 10.071 1.261 1.00 25.00 H new ATOM 0 HD3 LYS A 667 -14.875 11.285 2.080 1.00 25.00 H new ATOM 0 HE2 LYS A 667 -14.008 9.681 -0.359 1.00 25.00 H new ATOM 0 HE3 LYS A 667 -14.553 11.347 -0.372 1.00 25.00 H new ATOM 0 HZ1 LYS A 667 -12.418 11.866 -0.149 1.00 25.00 H new ATOM 0 HZ2 LYS A 667 -12.530 11.349 1.464 1.00 25.00 H new ATOM 0 HZ3 LYS A 667 -11.971 10.282 0.268 1.00 25.00 H new ATOM 1367 N ARG A 668 -15.158 9.656 7.021 1.00 25.00 N ATOM 1368 CA ARG A 668 -15.800 9.345 8.302 1.00 25.00 C ATOM 1369 C ARG A 668 -16.057 10.620 9.128 1.00 25.00 C ATOM 1370 O ARG A 668 -16.962 10.648 9.968 1.00 25.00 O ATOM 1371 CB ARG A 668 -14.920 8.361 9.082 1.00 25.00 C ATOM 1372 CG ARG A 668 -14.807 6.968 8.472 1.00 25.00 C ATOM 1373 CD ARG A 668 -13.969 6.044 9.343 1.00 25.00 C ATOM 1374 NE ARG A 668 -14.575 5.812 10.663 1.00 25.00 N ATOM 1375 CZ ARG A 668 -13.983 5.157 11.675 1.00 25.00 C ATOM 1376 NH1 ARG A 668 -12.758 4.651 11.547 1.00 25.00 N ATOM 1377 NH2 ARG A 668 -14.629 5.010 12.823 1.00 25.00 N ATOM 0 H ARG A 668 -14.139 9.611 7.051 1.00 25.00 H new ATOM 0 HA ARG A 668 -16.770 8.888 8.106 1.00 25.00 H new ATOM 0 HB2 ARG A 668 -13.919 8.784 9.170 1.00 25.00 H new ATOM 0 HB3 ARG A 668 -15.316 8.267 10.093 1.00 25.00 H new ATOM 0 HG2 ARG A 668 -15.803 6.544 8.343 1.00 25.00 H new ATOM 0 HG3 ARG A 668 -14.360 7.039 7.480 1.00 25.00 H new ATOM 0 HD2 ARG A 668 -13.839 5.089 8.834 1.00 25.00 H new ATOM 0 HD3 ARG A 668 -12.976 6.474 9.473 1.00 25.00 H new ATOM 0 HE ARG A 668 -15.515 6.176 10.822 1.00 25.00 H new ATOM 0 HH11 ARG A 668 -12.251 4.758 10.668 1.00 25.00 H new ATOM 0 HH12 ARG A 668 -12.326 4.157 12.328 1.00 25.00 H new ATOM 0 HH21 ARG A 668 -15.568 5.393 12.932 1.00 25.00 H new ATOM 0 HH22 ARG A 668 -14.187 4.514 13.597 1.00 25.00 H new ATOM 1391 N ARG A 669 -15.255 11.666 8.883 1.00 25.00 N ATOM 1392 CA ARG A 669 -15.367 12.932 9.620 1.00 25.00 C ATOM 1393 C ARG A 669 -16.308 13.926 8.910 1.00 25.00 C ATOM 1394 O ARG A 669 -16.793 14.876 9.534 1.00 25.00 O ATOM 1395 CB ARG A 669 -13.968 13.548 9.801 1.00 25.00 C ATOM 1396 CG ARG A 669 -13.044 12.772 10.725 1.00 25.00 C ATOM 1397 CD ARG A 669 -11.695 13.443 10.786 1.00 25.00 C ATOM 1398 NE ARG A 669 -10.773 12.758 11.700 1.00 25.00 N ATOM 1399 CZ ARG A 669 -9.492 12.470 11.422 1.00 25.00 C ATOM 1400 NH1 ARG A 669 -8.951 12.796 10.249 1.00 25.00 N ATOM 1401 NH2 ARG A 669 -8.749 11.850 12.329 1.00 25.00 N ATOM 0 H ARG A 669 -14.519 11.659 8.177 1.00 25.00 H new ATOM 0 HA ARG A 669 -15.801 12.720 10.597 1.00 25.00 H new ATOM 0 HB2 ARG A 669 -13.494 13.632 8.823 1.00 25.00 H new ATOM 0 HB3 ARG A 669 -14.080 14.561 10.189 1.00 25.00 H new ATOM 0 HG2 ARG A 669 -13.477 12.716 11.724 1.00 25.00 H new ATOM 0 HG3 ARG A 669 -12.934 11.748 10.368 1.00 25.00 H new ATOM 0 HD2 ARG A 669 -11.260 13.470 9.787 1.00 25.00 H new ATOM 0 HD3 ARG A 669 -11.820 14.477 11.107 1.00 25.00 H new ATOM 0 HE ARG A 669 -11.132 12.481 12.613 1.00 25.00 H new ATOM 0 HH11 ARG A 669 -9.512 13.273 9.543 1.00 25.00 H new ATOM 0 HH12 ARG A 669 -7.975 12.569 10.056 1.00 25.00 H new ATOM 0 HH21 ARG A 669 -9.152 11.595 13.231 1.00 25.00 H new ATOM 0 HH22 ARG A 669 -7.775 11.628 12.125 1.00 25.00 H new ATOM 1415 N SER A 670 -16.568 13.693 7.615 1.00 25.00 N ATOM 1416 CA SER A 670 -17.357 14.624 6.799 1.00 25.00 C ATOM 1417 C SER A 670 -18.853 14.279 6.788 1.00 25.00 C ATOM 1418 O SER A 670 -19.694 15.182 6.825 1.00 25.00 O ATOM 1419 CB SER A 670 -16.816 14.661 5.365 1.00 25.00 C ATOM 1420 OG SER A 670 -16.799 13.367 4.783 1.00 25.00 O ATOM 0 H SER A 670 -16.243 12.868 7.112 1.00 25.00 H new ATOM 0 HA SER A 670 -17.258 15.609 7.255 1.00 25.00 H new ATOM 0 HB2 SER A 670 -17.432 15.326 4.759 1.00 25.00 H new ATOM 0 HB3 SER A 670 -15.807 15.074 5.366 1.00 25.00 H new ATOM 0 HG SER A 670 -15.889 13.005 4.817 1.00 25.00 H new ATOM 1426 N ARG A 671 -19.178 12.978 6.742 1.00 25.00 N ATOM 1427 CA ARG A 671 -20.568 12.530 6.659 1.00 25.00 C ATOM 1428 C ARG A 671 -21.026 11.815 7.931 1.00 25.00 C ATOM 1429 O ARG A 671 -21.762 12.383 8.743 1.00 25.00 O ATOM 1430 CB ARG A 671 -20.767 11.645 5.427 1.00 25.00 C ATOM 1431 CG ARG A 671 -22.220 11.332 5.132 1.00 25.00 C ATOM 1432 CD ARG A 671 -22.357 10.673 3.785 1.00 25.00 C ATOM 1433 NE ARG A 671 -21.584 9.429 3.686 1.00 25.00 N ATOM 1434 CZ ARG A 671 -21.426 8.712 2.563 1.00 25.00 C ATOM 1435 NH1 ARG A 671 -21.988 9.090 1.417 1.00 25.00 N ATOM 1436 NH2 ARG A 671 -20.697 7.604 2.594 1.00 25.00 N ATOM 0 H ARG A 671 -18.494 12.221 6.761 1.00 25.00 H new ATOM 0 HA ARG A 671 -21.193 13.418 6.559 1.00 25.00 H new ATOM 0 HB2 ARG A 671 -20.327 12.139 4.560 1.00 25.00 H new ATOM 0 HB3 ARG A 671 -20.225 10.710 5.570 1.00 25.00 H new ATOM 0 HG2 ARG A 671 -22.621 10.677 5.906 1.00 25.00 H new ATOM 0 HG3 ARG A 671 -22.807 12.250 5.155 1.00 25.00 H new ATOM 0 HD2 ARG A 671 -23.409 10.460 3.594 1.00 25.00 H new ATOM 0 HD3 ARG A 671 -22.026 11.365 3.010 1.00 25.00 H new ATOM 0 HE ARG A 671 -21.134 9.084 4.534 1.00 25.00 H new ATOM 0 HH11 ARG A 671 -22.551 9.939 1.381 1.00 25.00 H new ATOM 0 HH12 ARG A 671 -21.855 8.530 0.575 1.00 25.00 H new ATOM 0 HH21 ARG A 671 -20.262 7.304 3.467 1.00 25.00 H new ATOM 0 HH22 ARG A 671 -20.571 7.052 1.745 1.00 25.00 H new ATOM 1450 N LEU A 672 -20.580 10.573 8.087 1.00 25.00 N ATOM 1451 CA LEU A 672 -20.954 9.729 9.227 1.00 25.00 C ATOM 1452 C LEU A 672 -19.778 9.550 10.190 1.00 25.00 C ATOM 1453 O LEU A 672 -18.882 8.725 9.899 1.00 25.00 O ATOM 1454 CB LEU A 672 -21.473 8.354 8.747 1.00 25.00 C ATOM 1455 CG LEU A 672 -22.712 8.361 7.826 1.00 25.00 C ATOM 1456 CD1 LEU A 672 -23.034 6.971 7.282 1.00 25.00 C ATOM 1457 CD2 LEU A 672 -23.912 8.926 8.569 1.00 25.00 C ATOM 1458 OXT LEU A 672 -19.762 10.241 11.230 1.00 25.00 O ATOM 0 H LEU A 672 -19.948 10.118 7.428 1.00 25.00 H new ATOM 0 HA LEU A 672 -21.758 10.233 9.763 1.00 25.00 H new ATOM 0 HB2 LEU A 672 -20.662 7.849 8.222 1.00 25.00 H new ATOM 0 HB3 LEU A 672 -21.706 7.753 9.626 1.00 25.00 H new ATOM 0 HG LEU A 672 -22.480 8.997 6.972 1.00 25.00 H new ATOM 0 HD11 LEU A 672 -23.913 7.026 6.640 1.00 25.00 H new ATOM 0 HD12 LEU A 672 -22.186 6.600 6.706 1.00 25.00 H new ATOM 0 HD13 LEU A 672 -23.233 6.293 8.112 1.00 25.00 H new ATOM 0 HD21 LEU A 672 -24.781 8.926 7.910 1.00 25.00 H new ATOM 0 HD22 LEU A 672 -24.121 8.311 9.444 1.00 25.00 H new ATOM 0 HD23 LEU A 672 -23.696 9.946 8.886 1.00 25.00 H new TER 1470 LEU A 672 ATOM 1471 N GLY B 519 0.642 -17.852 -21.231 1.00 25.00 N ATOM 1472 CA GLY B 519 0.381 -17.492 -19.811 1.00 25.00 C ATOM 1473 C GLY B 519 -0.806 -16.562 -19.655 1.00 25.00 C ATOM 1474 O GLY B 519 -1.901 -16.860 -20.143 1.00 25.00 O ATOM 0 HA2 GLY B 519 0.204 -18.401 -19.236 1.00 25.00 H new ATOM 0 HA3 GLY B 519 1.268 -17.017 -19.391 1.00 25.00 H new ATOM 1480 N SER B 520 -0.584 -15.435 -18.970 1.00 25.00 N ATOM 1481 CA SER B 520 -1.632 -14.439 -18.736 1.00 25.00 C ATOM 1482 C SER B 520 -1.236 -13.073 -19.329 1.00 25.00 C ATOM 1483 O SER B 520 -0.100 -12.630 -19.132 1.00 25.00 O ATOM 1484 CB SER B 520 -1.905 -14.296 -17.234 1.00 25.00 C ATOM 1485 OG SER B 520 -2.737 -13.179 -16.969 1.00 25.00 O ATOM 0 H SER B 520 0.320 -15.190 -18.566 1.00 25.00 H new ATOM 0 HA SER B 520 -2.540 -14.781 -19.233 1.00 25.00 H new ATOM 0 HB2 SER B 520 -2.379 -15.203 -16.860 1.00 25.00 H new ATOM 0 HB3 SER B 520 -0.962 -14.186 -16.699 1.00 25.00 H new ATOM 0 HG SER B 520 -2.897 -13.112 -16.004 1.00 25.00 H new ATOM 1491 N PRO B 521 -2.161 -12.377 -20.073 1.00 25.00 N ATOM 1492 CA PRO B 521 -1.862 -11.059 -20.680 1.00 25.00 C ATOM 1493 C PRO B 521 -1.772 -9.919 -19.652 1.00 25.00 C ATOM 1494 O PRO B 521 -2.579 -9.848 -18.718 1.00 25.00 O ATOM 1495 CB PRO B 521 -3.045 -10.842 -21.635 1.00 25.00 C ATOM 1496 CG PRO B 521 -4.149 -11.651 -21.065 1.00 25.00 C ATOM 1497 CD PRO B 521 -3.548 -12.819 -20.404 1.00 25.00 C ATOM 0 HA PRO B 521 -0.887 -11.052 -21.167 1.00 25.00 H new ATOM 0 HB2 PRO B 521 -3.317 -9.788 -21.694 1.00 25.00 H new ATOM 0 HB3 PRO B 521 -2.800 -11.165 -22.647 1.00 25.00 H new ATOM 0 HG2 PRO B 521 -4.727 -11.063 -20.352 1.00 25.00 H new ATOM 0 HG3 PRO B 521 -4.837 -11.967 -21.849 1.00 25.00 H new ATOM 0 HD2 PRO B 521 -4.102 -13.098 -19.508 1.00 25.00 H new ATOM 0 HD3 PRO B 521 -3.543 -13.689 -21.060 1.00 25.00 H new ATOM 1505 N GLY B 522 -0.783 -9.037 -19.843 1.00 25.00 N ATOM 1506 CA GLY B 522 -0.581 -7.914 -18.938 1.00 25.00 C ATOM 1507 C GLY B 522 0.215 -6.786 -19.570 1.00 25.00 C ATOM 1508 O GLY B 522 1.081 -7.029 -20.416 1.00 25.00 O ATOM 0 H GLY B 522 -0.117 -9.084 -20.614 1.00 25.00 H new ATOM 0 HA2 GLY B 522 -1.550 -7.533 -18.617 1.00 25.00 H new ATOM 0 HA3 GLY B 522 -0.063 -8.262 -18.044 1.00 25.00 H new ATOM 1512 N TYR B 523 -0.084 -5.550 -19.152 1.00 25.00 N ATOM 1513 CA TYR B 523 0.601 -4.362 -19.664 1.00 25.00 C ATOM 1514 C TYR B 523 1.527 -3.763 -18.576 1.00 25.00 C ATOM 1515 O TYR B 523 1.053 -3.037 -17.695 1.00 25.00 O ATOM 1516 CB TYR B 523 -0.439 -3.327 -20.148 1.00 25.00 C ATOM 1517 CG TYR B 523 -1.348 -3.811 -21.269 1.00 25.00 C ATOM 1518 CD1 TYR B 523 -2.539 -4.474 -20.990 1.00 25.00 C ATOM 1519 CD2 TYR B 523 -1.014 -3.599 -22.603 1.00 25.00 C ATOM 1520 CE1 TYR B 523 -3.367 -4.911 -22.006 1.00 25.00 C ATOM 1521 CE2 TYR B 523 -1.839 -4.034 -23.623 1.00 25.00 C ATOM 1522 CZ TYR B 523 -3.013 -4.689 -23.319 1.00 25.00 C ATOM 1523 OH TYR B 523 -3.837 -5.121 -24.333 1.00 25.00 O ATOM 0 H TYR B 523 -0.801 -5.348 -18.456 1.00 25.00 H new ATOM 0 HA TYR B 523 1.225 -4.643 -20.512 1.00 25.00 H new ATOM 0 HB2 TYR B 523 -1.057 -3.031 -19.301 1.00 25.00 H new ATOM 0 HB3 TYR B 523 0.088 -2.435 -20.486 1.00 25.00 H new ATOM 0 HD1 TYR B 523 -2.821 -4.650 -19.962 1.00 25.00 H new ATOM 0 HD2 TYR B 523 -0.095 -3.086 -22.845 1.00 25.00 H new ATOM 0 HE1 TYR B 523 -4.288 -5.424 -21.772 1.00 25.00 H new ATOM 0 HE2 TYR B 523 -1.565 -3.861 -24.653 1.00 25.00 H new ATOM 0 HH TYR B 523 -3.442 -4.885 -25.198 1.00 25.00 H new ATOM 1533 N PRO B 524 2.869 -4.070 -18.603 1.00 25.00 N ATOM 1534 CA PRO B 524 3.841 -3.506 -17.634 1.00 25.00 C ATOM 1535 C PRO B 524 4.057 -1.994 -17.803 1.00 25.00 C ATOM 1536 O PRO B 524 3.722 -1.424 -18.844 1.00 25.00 O ATOM 1537 CB PRO B 524 5.149 -4.260 -17.939 1.00 25.00 C ATOM 1538 CG PRO B 524 5.057 -4.632 -19.386 1.00 25.00 C ATOM 1539 CD PRO B 524 3.545 -5.008 -19.534 1.00 25.00 C ATOM 0 HA PRO B 524 3.485 -3.628 -16.611 1.00 25.00 H new ATOM 0 HB2 PRO B 524 6.019 -3.632 -17.748 1.00 25.00 H new ATOM 0 HB3 PRO B 524 5.250 -5.145 -17.310 1.00 25.00 H new ATOM 0 HG2 PRO B 524 5.337 -3.804 -20.038 1.00 25.00 H new ATOM 0 HG3 PRO B 524 5.711 -5.468 -19.634 1.00 25.00 H new ATOM 0 HD2 PRO B 524 3.197 -4.879 -20.559 1.00 25.00 H new ATOM 0 HD3 PRO B 524 3.360 -6.047 -19.263 1.00 25.00 H new ATOM 1547 N ASN B 525 4.631 -1.360 -16.753 1.00 25.00 N ATOM 1548 CA ASN B 525 4.937 0.093 -16.719 1.00 25.00 C ATOM 1549 C ASN B 525 3.658 0.946 -16.780 1.00 25.00 C ATOM 1550 O ASN B 525 2.879 0.856 -17.735 1.00 25.00 O ATOM 1551 CB ASN B 525 5.921 0.492 -17.851 1.00 25.00 C ATOM 1552 CG ASN B 525 7.305 -0.136 -17.714 1.00 25.00 C ATOM 1553 OD1 ASN B 525 7.749 -0.475 -16.615 1.00 25.00 O ATOM 1554 ND2 ASN B 525 7.993 -0.295 -18.839 1.00 25.00 N ATOM 0 H ASN B 525 4.898 -1.846 -15.897 1.00 25.00 H new ATOM 0 HA ASN B 525 5.423 0.294 -15.764 1.00 25.00 H new ATOM 0 HB2 ASN B 525 5.494 0.201 -18.811 1.00 25.00 H new ATOM 0 HB3 ASN B 525 6.024 1.577 -17.864 1.00 25.00 H new ATOM 0 HD21 ASN B 525 8.924 -0.711 -18.813 1.00 25.00 H new ATOM 0 HD22 ASN B 525 7.590 -0.001 -19.729 1.00 25.00 H new ATOM 1561 N GLY B 526 3.463 1.770 -15.744 1.00 25.00 N ATOM 1562 CA GLY B 526 2.306 2.652 -15.677 1.00 25.00 C ATOM 1563 C GLY B 526 2.323 3.551 -14.453 1.00 25.00 C ATOM 1564 O GLY B 526 1.321 3.649 -13.739 1.00 25.00 O ATOM 0 H GLY B 526 4.093 1.840 -14.945 1.00 25.00 H new ATOM 0 HA2 GLY B 526 2.272 3.269 -16.575 1.00 25.00 H new ATOM 0 HA3 GLY B 526 1.397 2.051 -15.669 1.00 25.00 H new ATOM 1568 N LEU B 527 3.464 4.206 -14.218 1.00 25.00 N ATOM 1569 CA LEU B 527 3.635 5.107 -13.073 1.00 25.00 C ATOM 1570 C LEU B 527 4.020 6.528 -13.511 1.00 25.00 C ATOM 1571 O LEU B 527 4.704 7.253 -12.776 1.00 25.00 O ATOM 1572 CB LEU B 527 4.669 4.537 -12.047 1.00 25.00 C ATOM 1573 CG LEU B 527 4.440 3.127 -11.425 1.00 25.00 C ATOM 1574 CD1 LEU B 527 5.756 2.455 -11.072 1.00 25.00 C ATOM 1575 CD2 LEU B 527 3.521 3.174 -10.208 1.00 25.00 C ATOM 0 H LEU B 527 4.290 4.128 -14.811 1.00 25.00 H new ATOM 0 HA LEU B 527 2.668 5.172 -12.575 1.00 25.00 H new ATOM 0 HB2 LEU B 527 5.642 4.522 -12.539 1.00 25.00 H new ATOM 0 HB3 LEU B 527 4.738 5.249 -11.224 1.00 25.00 H new ATOM 0 HG LEU B 527 3.942 2.529 -12.189 1.00 25.00 H new ATOM 0 HD11 LEU B 527 5.559 1.474 -10.641 1.00 25.00 H new ATOM 0 HD12 LEU B 527 6.359 2.341 -11.973 1.00 25.00 H new ATOM 0 HD13 LEU B 527 6.295 3.068 -10.349 1.00 25.00 H new ATOM 0 HD21 LEU B 527 3.392 2.167 -9.810 1.00 25.00 H new ATOM 0 HD22 LEU B 527 3.963 3.813 -9.443 1.00 25.00 H new ATOM 0 HD23 LEU B 527 2.551 3.576 -10.500 1.00 25.00 H new ATOM 1587 N LEU B 528 3.560 6.933 -14.705 1.00 25.00 N ATOM 1588 CA LEU B 528 3.853 8.267 -15.237 1.00 25.00 C ATOM 1589 C LEU B 528 3.009 9.322 -14.499 1.00 25.00 C ATOM 1590 O LEU B 528 1.939 9.735 -14.964 1.00 25.00 O ATOM 1591 CB LEU B 528 3.604 8.290 -16.764 1.00 25.00 C ATOM 1592 CG LEU B 528 4.601 7.501 -17.640 1.00 25.00 C ATOM 1593 CD1 LEU B 528 4.138 7.500 -19.088 1.00 25.00 C ATOM 1594 CD2 LEU B 528 6.009 8.087 -17.555 1.00 25.00 C ATOM 0 H LEU B 528 2.985 6.355 -15.317 1.00 25.00 H new ATOM 0 HA LEU B 528 4.903 8.509 -15.070 1.00 25.00 H new ATOM 0 HB2 LEU B 528 2.603 7.900 -16.952 1.00 25.00 H new ATOM 0 HB3 LEU B 528 3.609 9.329 -17.094 1.00 25.00 H new ATOM 0 HG LEU B 528 4.634 6.479 -17.263 1.00 25.00 H new ATOM 0 HD11 LEU B 528 4.848 6.941 -19.697 1.00 25.00 H new ATOM 0 HD12 LEU B 528 3.156 7.033 -19.156 1.00 25.00 H new ATOM 0 HD13 LEU B 528 4.077 8.526 -19.451 1.00 25.00 H new ATOM 0 HD21 LEU B 528 6.683 7.506 -18.184 1.00 25.00 H new ATOM 0 HD22 LEU B 528 5.994 9.122 -17.898 1.00 25.00 H new ATOM 0 HD23 LEU B 528 6.356 8.052 -16.522 1.00 25.00 H new ATOM 1606 N SER B 529 3.511 9.728 -13.311 1.00 25.00 N ATOM 1607 CA SER B 529 2.841 10.699 -12.414 1.00 25.00 C ATOM 1608 C SER B 529 1.495 10.159 -11.908 1.00 25.00 C ATOM 1609 O SER B 529 0.464 10.284 -12.579 1.00 25.00 O ATOM 1610 CB SER B 529 2.661 12.075 -13.087 1.00 25.00 C ATOM 1611 OG SER B 529 2.167 13.035 -12.168 1.00 25.00 O ATOM 0 H SER B 529 4.400 9.388 -12.944 1.00 25.00 H new ATOM 0 HA SER B 529 3.495 10.838 -11.553 1.00 25.00 H new ATOM 0 HB2 SER B 529 3.615 12.412 -13.491 1.00 25.00 H new ATOM 0 HB3 SER B 529 1.973 11.984 -13.927 1.00 25.00 H new ATOM 0 HG SER B 529 2.064 13.898 -12.620 1.00 25.00 H new ATOM 1617 N GLY B 530 1.533 9.543 -10.722 1.00 25.00 N ATOM 1618 CA GLY B 530 0.342 8.955 -10.132 1.00 25.00 C ATOM 1619 C GLY B 530 0.621 8.285 -8.810 1.00 25.00 C ATOM 1620 O GLY B 530 0.858 7.075 -8.748 1.00 25.00 O ATOM 0 H GLY B 530 2.377 9.442 -10.158 1.00 25.00 H new ATOM 0 HA2 GLY B 530 -0.410 9.731 -9.990 1.00 25.00 H new ATOM 0 HA3 GLY B 530 -0.079 8.225 -10.823 1.00 25.00 H new ATOM 1624 N ASP B 531 0.588 9.092 -7.762 1.00 25.00 N ATOM 1625 CA ASP B 531 0.824 8.627 -6.388 1.00 25.00 C ATOM 1626 C ASP B 531 -0.215 9.221 -5.425 1.00 25.00 C ATOM 1627 O ASP B 531 -0.322 8.797 -4.271 1.00 25.00 O ATOM 1628 CB ASP B 531 2.254 8.993 -5.945 1.00 25.00 C ATOM 1629 CG ASP B 531 2.761 8.145 -4.787 1.00 25.00 C ATOM 1630 OD1 ASP B 531 2.036 7.221 -4.364 1.00 25.00 O ATOM 1631 OD2 ASP B 531 3.884 8.408 -4.307 1.00 25.00 O ATOM 0 H ASP B 531 0.397 10.092 -7.831 1.00 25.00 H new ATOM 0 HA ASP B 531 0.719 7.542 -6.364 1.00 25.00 H new ATOM 0 HB2 ASP B 531 2.930 8.879 -6.793 1.00 25.00 H new ATOM 0 HB3 ASP B 531 2.280 10.044 -5.655 1.00 25.00 H new ATOM 1636 N GLU B 532 -0.970 10.200 -5.922 1.00 25.00 N ATOM 1637 CA GLU B 532 -2.005 10.879 -5.155 1.00 25.00 C ATOM 1638 C GLU B 532 -3.390 10.695 -5.780 1.00 25.00 C ATOM 1639 O GLU B 532 -4.406 11.117 -5.217 1.00 25.00 O ATOM 1640 CB GLU B 532 -1.668 12.362 -5.066 1.00 25.00 C ATOM 1641 CG GLU B 532 -0.409 12.668 -4.277 1.00 25.00 C ATOM 1642 CD GLU B 532 -0.516 13.953 -3.478 1.00 25.00 C ATOM 1643 OE1 GLU B 532 -0.761 15.014 -4.090 1.00 25.00 O ATOM 1644 OE2 GLU B 532 -0.357 13.898 -2.241 1.00 25.00 O ATOM 0 H GLU B 532 -0.877 10.545 -6.877 1.00 25.00 H new ATOM 0 HA GLU B 532 -2.036 10.439 -4.158 1.00 25.00 H new ATOM 0 HB2 GLU B 532 -1.556 12.759 -6.075 1.00 25.00 H new ATOM 0 HB3 GLU B 532 -2.507 12.887 -4.608 1.00 25.00 H new ATOM 0 HG2 GLU B 532 -0.200 11.840 -3.599 1.00 25.00 H new ATOM 0 HG3 GLU B 532 0.436 12.740 -4.962 1.00 25.00 H new ATOM 1651 N ASP B 533 -3.403 10.048 -6.937 1.00 25.00 N ATOM 1652 CA ASP B 533 -4.617 9.865 -7.740 1.00 25.00 C ATOM 1653 C ASP B 533 -5.347 8.554 -7.388 1.00 25.00 C ATOM 1654 O ASP B 533 -6.480 8.337 -7.833 1.00 25.00 O ATOM 1655 CB ASP B 533 -4.250 9.895 -9.236 1.00 25.00 C ATOM 1656 CG ASP B 533 -3.648 11.218 -9.684 1.00 25.00 C ATOM 1657 OD1 ASP B 533 -4.261 12.273 -9.413 1.00 25.00 O ATOM 1658 OD2 ASP B 533 -2.566 11.198 -10.307 1.00 25.00 O ATOM 0 H ASP B 533 -2.570 9.631 -7.352 1.00 25.00 H new ATOM 0 HA ASP B 533 -5.302 10.682 -7.514 1.00 25.00 H new ATOM 0 HB2 ASP B 533 -3.542 9.093 -9.445 1.00 25.00 H new ATOM 0 HB3 ASP B 533 -5.144 9.693 -9.826 1.00 25.00 H new ATOM 1663 N PHE B 534 -4.703 7.691 -6.583 1.00 25.00 N ATOM 1664 CA PHE B 534 -5.294 6.398 -6.204 1.00 25.00 C ATOM 1665 C PHE B 534 -6.280 6.547 -5.030 1.00 25.00 C ATOM 1666 O PHE B 534 -7.034 5.621 -4.721 1.00 25.00 O ATOM 1667 CB PHE B 534 -4.190 5.360 -5.883 1.00 25.00 C ATOM 1668 CG PHE B 534 -3.545 4.695 -7.081 1.00 25.00 C ATOM 1669 CD1 PHE B 534 -2.480 5.286 -7.740 1.00 25.00 C ATOM 1670 CD2 PHE B 534 -4.015 3.472 -7.538 1.00 25.00 C ATOM 1671 CE1 PHE B 534 -1.897 4.670 -8.831 1.00 25.00 C ATOM 1672 CE2 PHE B 534 -3.440 2.855 -8.623 1.00 25.00 C ATOM 1673 CZ PHE B 534 -2.377 3.454 -9.274 1.00 25.00 C ATOM 0 H PHE B 534 -3.780 7.865 -6.185 1.00 25.00 H new ATOM 0 HA PHE B 534 -5.863 6.031 -7.058 1.00 25.00 H new ATOM 0 HB2 PHE B 534 -3.411 5.853 -5.302 1.00 25.00 H new ATOM 0 HB3 PHE B 534 -4.619 4.585 -5.248 1.00 25.00 H new ATOM 0 HD1 PHE B 534 -2.101 6.238 -7.398 1.00 25.00 H new ATOM 0 HD2 PHE B 534 -4.844 2.998 -7.034 1.00 25.00 H new ATOM 0 HE1 PHE B 534 -1.066 5.140 -9.337 1.00 25.00 H new ATOM 0 HE2 PHE B 534 -3.818 1.903 -8.967 1.00 25.00 H new ATOM 0 HZ PHE B 534 -1.923 2.971 -10.127 1.00 25.00 H new ATOM 1683 N SER B 535 -6.254 7.726 -4.391 1.00 25.00 N ATOM 1684 CA SER B 535 -7.140 8.048 -3.260 1.00 25.00 C ATOM 1685 C SER B 535 -8.612 8.133 -3.695 1.00 25.00 C ATOM 1686 O SER B 535 -9.521 8.003 -2.869 1.00 25.00 O ATOM 1687 CB SER B 535 -6.705 9.367 -2.609 1.00 25.00 C ATOM 1688 OG SER B 535 -6.810 10.453 -3.518 1.00 25.00 O ATOM 0 H SER B 535 -5.619 8.483 -4.643 1.00 25.00 H new ATOM 0 HA SER B 535 -7.056 7.240 -2.533 1.00 25.00 H new ATOM 0 HB2 SER B 535 -7.323 9.563 -1.733 1.00 25.00 H new ATOM 0 HB3 SER B 535 -5.676 9.280 -2.261 1.00 25.00 H new ATOM 0 HG SER B 535 -5.964 10.558 -4.001 1.00 25.00 H new ATOM 1694 N SER B 536 -8.821 8.351 -5.000 1.00 25.00 N ATOM 1695 CA SER B 536 -10.157 8.360 -5.600 1.00 25.00 C ATOM 1696 C SER B 536 -10.593 6.941 -5.972 1.00 25.00 C ATOM 1697 O SER B 536 -11.790 6.650 -6.049 1.00 25.00 O ATOM 1698 CB SER B 536 -10.161 9.251 -6.835 1.00 25.00 C ATOM 1699 OG SER B 536 -9.333 8.725 -7.860 1.00 25.00 O ATOM 0 H SER B 536 -8.069 8.526 -5.666 1.00 25.00 H new ATOM 0 HA SER B 536 -10.864 8.754 -4.870 1.00 25.00 H new ATOM 0 HB2 SER B 536 -11.180 9.354 -7.207 1.00 25.00 H new ATOM 0 HB3 SER B 536 -9.817 10.250 -6.565 1.00 25.00 H new ATOM 0 HG SER B 536 -8.393 8.806 -7.595 1.00 25.00 H new ATOM 1705 N ILE B 537 -9.601 6.067 -6.189 1.00 25.00 N ATOM 1706 CA ILE B 537 -9.842 4.665 -6.548 1.00 25.00 C ATOM 1707 C ILE B 537 -10.026 3.800 -5.291 1.00 25.00 C ATOM 1708 O ILE B 537 -10.780 2.822 -5.318 1.00 25.00 O ATOM 1709 CB ILE B 537 -8.675 4.092 -7.436 1.00 25.00 C ATOM 1710 CG1 ILE B 537 -8.597 4.801 -8.822 1.00 25.00 C ATOM 1711 CG2 ILE B 537 -8.771 2.566 -7.617 1.00 25.00 C ATOM 1712 CD1 ILE B 537 -7.364 4.486 -9.671 1.00 25.00 C ATOM 0 H ILE B 537 -8.613 6.312 -6.121 1.00 25.00 H new ATOM 0 HA ILE B 537 -10.762 4.631 -7.132 1.00 25.00 H new ATOM 0 HB ILE B 537 -7.753 4.303 -6.894 1.00 25.00 H new ATOM 0 HG12 ILE B 537 -9.485 4.534 -9.395 1.00 25.00 H new ATOM 0 HG13 ILE B 537 -8.635 5.878 -8.659 1.00 25.00 H new ATOM 0 HG21 ILE B 537 -7.944 2.220 -8.237 1.00 25.00 H new ATOM 0 HG22 ILE B 537 -8.722 2.080 -6.642 1.00 25.00 H new ATOM 0 HG23 ILE B 537 -9.715 2.316 -8.100 1.00 25.00 H new ATOM 0 HD11 ILE B 537 -7.419 5.035 -10.611 1.00 25.00 H new ATOM 0 HD12 ILE B 537 -6.465 4.782 -9.130 1.00 25.00 H new ATOM 0 HD13 ILE B 537 -7.328 3.416 -9.877 1.00 25.00 H new ATOM 1724 N ALA B 538 -9.342 4.167 -4.199 1.00 25.00 N ATOM 1725 CA ALA B 538 -9.376 3.378 -2.965 1.00 25.00 C ATOM 1726 C ALA B 538 -10.612 3.662 -2.112 1.00 25.00 C ATOM 1727 O ALA B 538 -10.899 2.937 -1.153 1.00 25.00 O ATOM 1728 CB ALA B 538 -8.097 3.582 -2.164 1.00 25.00 C ATOM 0 H ALA B 538 -8.760 5.003 -4.147 1.00 25.00 H new ATOM 0 HA ALA B 538 -9.442 2.331 -3.260 1.00 25.00 H new ATOM 0 HB1 ALA B 538 -8.141 2.988 -1.251 1.00 25.00 H new ATOM 0 HB2 ALA B 538 -7.240 3.268 -2.760 1.00 25.00 H new ATOM 0 HB3 ALA B 538 -7.993 4.636 -1.906 1.00 25.00 H new ATOM 1734 N ASP B 539 -11.330 4.714 -2.478 1.00 25.00 N ATOM 1735 CA ASP B 539 -12.602 5.062 -1.839 1.00 25.00 C ATOM 1736 C ASP B 539 -13.775 4.559 -2.698 1.00 25.00 C ATOM 1737 O ASP B 539 -14.927 4.542 -2.251 1.00 25.00 O ATOM 1738 CB ASP B 539 -12.676 6.584 -1.597 1.00 25.00 C ATOM 1739 CG ASP B 539 -11.723 7.076 -0.516 1.00 25.00 C ATOM 1740 OD1 ASP B 539 -11.136 6.227 0.188 1.00 25.00 O ATOM 1741 OD2 ASP B 539 -11.565 8.306 -0.377 1.00 25.00 O ATOM 0 H ASP B 539 -11.053 5.352 -3.224 1.00 25.00 H new ATOM 0 HA ASP B 539 -12.669 4.572 -0.867 1.00 25.00 H new ATOM 0 HB2 ASP B 539 -12.454 7.103 -2.529 1.00 25.00 H new ATOM 0 HB3 ASP B 539 -13.696 6.850 -1.319 1.00 25.00 H new ATOM 1746 N MET B 540 -13.453 4.145 -3.931 1.00 25.00 N ATOM 1747 CA MET B 540 -14.410 3.489 -4.823 1.00 25.00 C ATOM 1748 C MET B 540 -14.311 1.967 -4.709 1.00 25.00 C ATOM 1749 O MET B 540 -15.289 1.251 -4.943 1.00 25.00 O ATOM 1750 CB MET B 540 -14.174 3.908 -6.266 1.00 25.00 C ATOM 1751 CG MET B 540 -14.566 5.358 -6.548 1.00 25.00 C ATOM 1752 SD MET B 540 -14.091 5.925 -8.196 1.00 25.00 S ATOM 1753 CE MET B 540 -15.182 4.951 -9.224 1.00 25.00 C ATOM 0 H MET B 540 -12.523 4.257 -4.335 1.00 25.00 H new ATOM 0 HA MET B 540 -15.410 3.800 -4.520 1.00 25.00 H new ATOM 0 HB2 MET B 540 -13.120 3.770 -6.509 1.00 25.00 H new ATOM 0 HB3 MET B 540 -14.742 3.251 -6.925 1.00 25.00 H new ATOM 0 HG2 MET B 540 -15.645 5.463 -6.433 1.00 25.00 H new ATOM 0 HG3 MET B 540 -14.101 6.003 -5.802 1.00 25.00 H new ATOM 0 HE1 MET B 540 -15.108 5.291 -10.257 1.00 25.00 H new ATOM 0 HE2 MET B 540 -14.896 3.901 -9.166 1.00 25.00 H new ATOM 0 HE3 MET B 540 -16.209 5.067 -8.877 1.00 25.00 H new ATOM 1763 N ASP B 541 -13.113 1.492 -4.343 1.00 25.00 N ATOM 1764 CA ASP B 541 -12.833 0.063 -4.214 1.00 25.00 C ATOM 1765 C ASP B 541 -13.139 -0.449 -2.794 1.00 25.00 C ATOM 1766 O ASP B 541 -13.318 -1.656 -2.598 1.00 25.00 O ATOM 1767 CB ASP B 541 -11.369 -0.209 -4.585 1.00 25.00 C ATOM 1768 CG ASP B 541 -11.106 -0.150 -6.082 1.00 25.00 C ATOM 1769 OD1 ASP B 541 -12.077 0.002 -6.851 1.00 25.00 O ATOM 1770 OD2 ASP B 541 -9.926 -0.254 -6.481 1.00 25.00 O ATOM 0 H ASP B 541 -12.315 2.090 -4.129 1.00 25.00 H new ATOM 0 HA ASP B 541 -13.485 -0.478 -4.899 1.00 25.00 H new ATOM 0 HB2 ASP B 541 -10.733 0.520 -4.083 1.00 25.00 H new ATOM 0 HB3 ASP B 541 -11.084 -1.192 -4.212 1.00 25.00 H new ATOM 1775 N PHE B 542 -13.205 0.472 -1.811 1.00 25.00 N ATOM 1776 CA PHE B 542 -13.495 0.106 -0.413 1.00 25.00 C ATOM 1777 C PHE B 542 -14.971 -0.295 -0.236 1.00 25.00 C ATOM 1778 O PHE B 542 -15.299 -1.092 0.648 1.00 25.00 O ATOM 1779 CB PHE B 542 -13.143 1.281 0.516 1.00 25.00 C ATOM 1780 CG PHE B 542 -13.247 0.979 1.993 1.00 25.00 C ATOM 1781 CD1 PHE B 542 -12.303 0.183 2.625 1.00 25.00 C ATOM 1782 CD2 PHE B 542 -14.301 1.482 2.742 1.00 25.00 C ATOM 1783 CE1 PHE B 542 -12.407 -0.103 3.974 1.00 25.00 C ATOM 1784 CE2 PHE B 542 -14.409 1.201 4.090 1.00 25.00 C ATOM 1785 CZ PHE B 542 -13.461 0.407 4.707 1.00 25.00 C ATOM 0 H PHE B 542 -13.062 1.471 -1.960 1.00 25.00 H new ATOM 0 HA PHE B 542 -12.883 -0.757 -0.149 1.00 25.00 H new ATOM 0 HB2 PHE B 542 -12.126 1.606 0.297 1.00 25.00 H new ATOM 0 HB3 PHE B 542 -13.801 2.118 0.284 1.00 25.00 H new ATOM 0 HD1 PHE B 542 -11.477 -0.218 2.057 1.00 25.00 H new ATOM 0 HD2 PHE B 542 -15.046 2.101 2.265 1.00 25.00 H new ATOM 0 HE1 PHE B 542 -11.665 -0.724 4.454 1.00 25.00 H new ATOM 0 HE2 PHE B 542 -15.233 1.601 4.661 1.00 25.00 H new ATOM 0 HZ PHE B 542 -13.544 0.186 5.761 1.00 25.00 H new ATOM 1795 N SER B 543 -15.844 0.265 -1.086 1.00 25.00 N ATOM 1796 CA SER B 543 -17.282 -0.037 -1.061 1.00 25.00 C ATOM 1797 C SER B 543 -17.601 -1.341 -1.810 1.00 25.00 C ATOM 1798 O SER B 543 -18.619 -1.984 -1.540 1.00 25.00 O ATOM 1799 CB SER B 543 -18.070 1.127 -1.671 1.00 25.00 C ATOM 1800 OG SER B 543 -17.763 1.300 -3.046 1.00 25.00 O ATOM 0 H SER B 543 -15.575 0.936 -1.806 1.00 25.00 H new ATOM 0 HA SER B 543 -17.578 -0.172 -0.021 1.00 25.00 H new ATOM 0 HB2 SER B 543 -19.138 0.944 -1.556 1.00 25.00 H new ATOM 0 HB3 SER B 543 -17.844 2.045 -1.128 1.00 25.00 H new ATOM 0 HG SER B 543 -18.283 2.049 -3.406 1.00 25.00 H new ATOM 1806 N ALA B 544 -16.717 -1.721 -2.747 1.00 25.00 N ATOM 1807 CA ALA B 544 -16.893 -2.934 -3.555 1.00 25.00 C ATOM 1808 C ALA B 544 -16.376 -4.188 -2.837 1.00 25.00 C ATOM 1809 O ALA B 544 -16.801 -5.304 -3.149 1.00 25.00 O ATOM 1810 CB ALA B 544 -16.195 -2.768 -4.899 1.00 25.00 C ATOM 0 H ALA B 544 -15.868 -1.199 -2.963 1.00 25.00 H new ATOM 0 HA ALA B 544 -17.962 -3.072 -3.714 1.00 25.00 H new ATOM 0 HB1 ALA B 544 -16.330 -3.672 -5.493 1.00 25.00 H new ATOM 0 HB2 ALA B 544 -16.624 -1.918 -5.429 1.00 25.00 H new ATOM 0 HB3 ALA B 544 -15.131 -2.595 -4.738 1.00 25.00 H new ATOM 1816 N LEU B 545 -15.462 -3.990 -1.875 1.00 25.00 N ATOM 1817 CA LEU B 545 -14.871 -5.086 -1.103 1.00 25.00 C ATOM 1818 C LEU B 545 -15.761 -5.517 0.075 1.00 25.00 C ATOM 1819 O LEU B 545 -15.595 -6.616 0.610 1.00 25.00 O ATOM 1820 CB LEU B 545 -13.492 -4.661 -0.590 1.00 25.00 C ATOM 1821 CG LEU B 545 -12.431 -4.394 -1.671 1.00 25.00 C ATOM 1822 CD1 LEU B 545 -11.194 -3.750 -1.069 1.00 25.00 C ATOM 1823 CD2 LEU B 545 -12.036 -5.688 -2.383 1.00 25.00 C ATOM 0 H LEU B 545 -15.115 -3.067 -1.613 1.00 25.00 H new ATOM 0 HA LEU B 545 -14.777 -5.946 -1.766 1.00 25.00 H new ATOM 0 HB2 LEU B 545 -13.610 -3.757 0.008 1.00 25.00 H new ATOM 0 HB3 LEU B 545 -13.117 -5.438 0.077 1.00 25.00 H new ATOM 0 HG LEU B 545 -12.870 -3.710 -2.398 1.00 25.00 H new ATOM 0 HD11 LEU B 545 -10.459 -3.571 -1.853 1.00 25.00 H new ATOM 0 HD12 LEU B 545 -11.467 -2.802 -0.604 1.00 25.00 H new ATOM 0 HD13 LEU B 545 -10.768 -4.414 -0.317 1.00 25.00 H new ATOM 0 HD21 LEU B 545 -11.285 -5.471 -3.142 1.00 25.00 H new ATOM 0 HD22 LEU B 545 -11.627 -6.392 -1.658 1.00 25.00 H new ATOM 0 HD23 LEU B 545 -12.915 -6.125 -2.857 1.00 25.00 H new ATOM 1835 N LEU B 546 -16.705 -4.644 0.465 1.00 25.00 N ATOM 1836 CA LEU B 546 -17.655 -4.944 1.551 1.00 25.00 C ATOM 1837 C LEU B 546 -18.853 -5.733 1.022 1.00 25.00 C ATOM 1838 O LEU B 546 -19.469 -6.514 1.750 1.00 25.00 O ATOM 1839 CB LEU B 546 -18.151 -3.645 2.215 1.00 25.00 C ATOM 1840 CG LEU B 546 -17.098 -2.816 2.957 1.00 25.00 C ATOM 1841 CD1 LEU B 546 -17.680 -1.477 3.384 1.00 25.00 C ATOM 1842 CD2 LEU B 546 -16.574 -3.563 4.175 1.00 25.00 C ATOM 0 H LEU B 546 -16.831 -3.724 0.044 1.00 25.00 H new ATOM 0 HA LEU B 546 -17.131 -5.547 2.292 1.00 25.00 H new ATOM 0 HB2 LEU B 546 -18.600 -3.017 1.445 1.00 25.00 H new ATOM 0 HB3 LEU B 546 -18.943 -3.902 2.919 1.00 25.00 H new ATOM 0 HG LEU B 546 -16.267 -2.642 2.274 1.00 25.00 H new ATOM 0 HD11 LEU B 546 -16.919 -0.900 3.910 1.00 25.00 H new ATOM 0 HD12 LEU B 546 -18.009 -0.926 2.503 1.00 25.00 H new ATOM 0 HD13 LEU B 546 -18.530 -1.644 4.046 1.00 25.00 H new ATOM 0 HD21 LEU B 546 -15.828 -2.952 4.683 1.00 25.00 H new ATOM 0 HD22 LEU B 546 -17.399 -3.771 4.857 1.00 25.00 H new ATOM 0 HD23 LEU B 546 -16.120 -4.502 3.858 1.00 25.00 H new ATOM 1854 N SER B 547 -19.166 -5.505 -0.256 1.00 25.00 N ATOM 1855 CA SER B 547 -20.259 -6.200 -0.953 1.00 25.00 C ATOM 1856 C SER B 547 -19.886 -7.644 -1.333 1.00 25.00 C ATOM 1857 O SER B 547 -20.765 -8.451 -1.652 1.00 25.00 O ATOM 1858 CB SER B 547 -20.671 -5.413 -2.205 1.00 25.00 C ATOM 1859 OG SER B 547 -19.653 -5.437 -3.191 1.00 25.00 O ATOM 0 H SER B 547 -18.670 -4.833 -0.841 1.00 25.00 H new ATOM 0 HA SER B 547 -21.100 -6.255 -0.262 1.00 25.00 H new ATOM 0 HB2 SER B 547 -21.588 -5.835 -2.616 1.00 25.00 H new ATOM 0 HB3 SER B 547 -20.890 -4.381 -1.932 1.00 25.00 H new ATOM 0 HG SER B 547 -18.777 -5.365 -2.758 1.00 25.00 H new ATOM 1865 N GLN B 548 -18.578 -7.960 -1.289 1.00 25.00 N ATOM 1866 CA GLN B 548 -18.060 -9.282 -1.698 1.00 25.00 C ATOM 1867 C GLN B 548 -18.470 -10.409 -0.736 1.00 25.00 C ATOM 1868 O GLN B 548 -18.348 -11.593 -1.072 1.00 25.00 O ATOM 1869 CB GLN B 548 -16.527 -9.252 -1.818 1.00 25.00 C ATOM 1870 CG GLN B 548 -15.996 -8.367 -2.941 1.00 25.00 C ATOM 1871 CD GLN B 548 -16.628 -8.668 -4.293 1.00 25.00 C ATOM 1872 OE1 GLN B 548 -16.766 -9.826 -4.697 1.00 25.00 O ATOM 1873 NE2 GLN B 548 -17.018 -7.617 -5.005 1.00 25.00 N ATOM 0 H GLN B 548 -17.855 -7.314 -0.972 1.00 25.00 H new ATOM 0 HA GLN B 548 -18.507 -9.495 -2.669 1.00 25.00 H new ATOM 0 HB2 GLN B 548 -16.108 -8.907 -0.873 1.00 25.00 H new ATOM 0 HB3 GLN B 548 -16.168 -10.269 -1.974 1.00 25.00 H new ATOM 0 HG2 GLN B 548 -16.177 -7.322 -2.688 1.00 25.00 H new ATOM 0 HG3 GLN B 548 -14.916 -8.495 -3.016 1.00 25.00 H new ATOM 0 HE21 GLN B 548 -16.887 -6.675 -4.637 1.00 25.00 H new ATOM 0 HE22 GLN B 548 -17.449 -7.752 -5.920 1.00 25.00 H new ATOM 1882 N ILE B 549 -18.958 -10.030 0.444 1.00 25.00 N ATOM 1883 CA ILE B 549 -19.355 -10.999 1.480 1.00 25.00 C ATOM 1884 C ILE B 549 -20.883 -11.141 1.591 1.00 25.00 C ATOM 1885 O ILE B 549 -21.380 -12.183 2.030 1.00 25.00 O ATOM 1886 CB ILE B 549 -18.753 -10.661 2.880 1.00 25.00 C ATOM 1887 CG1 ILE B 549 -17.204 -10.622 2.846 1.00 25.00 C ATOM 1888 CG2 ILE B 549 -19.256 -11.673 3.914 1.00 25.00 C ATOM 1889 CD1 ILE B 549 -16.559 -10.048 4.099 1.00 25.00 C ATOM 0 H ILE B 549 -19.091 -9.055 0.713 1.00 25.00 H new ATOM 0 HA ILE B 549 -18.942 -11.954 1.155 1.00 25.00 H new ATOM 0 HB ILE B 549 -19.087 -9.663 3.165 1.00 25.00 H new ATOM 0 HG12 ILE B 549 -16.831 -11.635 2.692 1.00 25.00 H new ATOM 0 HG13 ILE B 549 -16.887 -10.031 1.986 1.00 25.00 H new ATOM 0 HG21 ILE B 549 -18.835 -11.435 4.891 1.00 25.00 H new ATOM 0 HG22 ILE B 549 -20.344 -11.628 3.968 1.00 25.00 H new ATOM 0 HG23 ILE B 549 -18.948 -12.677 3.621 1.00 25.00 H new ATOM 0 HD11 ILE B 549 -15.475 -10.059 3.988 1.00 25.00 H new ATOM 0 HD12 ILE B 549 -16.898 -9.023 4.246 1.00 25.00 H new ATOM 0 HD13 ILE B 549 -16.841 -10.651 4.962 1.00 25.00 H new ATOM 1901 N SER B 550 -21.615 -10.091 1.189 1.00 25.00 N ATOM 1902 CA SER B 550 -23.081 -10.082 1.269 1.00 25.00 C ATOM 1903 C SER B 550 -23.724 -10.515 -0.056 1.00 25.00 C ATOM 1904 O SER B 550 -24.702 -11.266 -0.056 1.00 25.00 O ATOM 1905 CB SER B 550 -23.586 -8.692 1.679 1.00 25.00 C ATOM 1906 OG SER B 550 -23.217 -7.703 0.731 1.00 25.00 O ATOM 0 H SER B 550 -21.213 -9.236 0.805 1.00 25.00 H new ATOM 0 HA SER B 550 -23.374 -10.805 2.030 1.00 25.00 H new ATOM 0 HB2 SER B 550 -24.671 -8.713 1.780 1.00 25.00 H new ATOM 0 HB3 SER B 550 -23.180 -8.430 2.656 1.00 25.00 H new ATOM 0 HG SER B 550 -23.555 -6.830 1.021 1.00 25.00 H new ATOM 1912 N SER B 551 -23.166 -10.034 -1.176 1.00 25.00 N ATOM 1913 CA SER B 551 -23.677 -10.364 -2.508 1.00 25.00 C ATOM 1914 C SER B 551 -22.635 -11.143 -3.319 1.00 25.00 C ATOM 1915 O SER B 551 -21.663 -10.520 -3.806 1.00 25.00 O ATOM 1916 CB SER B 551 -24.113 -9.090 -3.252 1.00 25.00 C ATOM 1917 OG SER B 551 -24.498 -9.375 -4.588 1.00 25.00 O ATOM 1918 OXT SER B 551 -22.800 -12.372 -3.460 1.00 25.00 O ATOM 0 H SER B 551 -22.357 -9.413 -1.182 1.00 25.00 H new ATOM 0 HA SER B 551 -24.551 -11.004 -2.387 1.00 25.00 H new ATOM 0 HB2 SER B 551 -24.945 -8.625 -2.723 1.00 25.00 H new ATOM 0 HB3 SER B 551 -23.295 -8.370 -3.254 1.00 25.00 H new ATOM 0 HG SER B 551 -24.771 -8.546 -5.034 1.00 25.00 H new TER 1924 SER B 551