USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 803 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 SER OG : rot -152:sc= 1.01 USER MOD Set 1.2: A 71 THR OG1 : rot -45:sc= 0.046 USER MOD Set 2.1: A 41 LYS NZ :NH3+ 163:sc= 1.23 (180deg=1.18) USER MOD Set 2.2: A 78 TYR OH : rot 34:sc= 1.05 USER MOD Set 3.1: A 26 TYR OH : rot 35:sc= 0.966 USER MOD Set 3.2: A 28 SER OG : rot 180:sc= -0.237 USER MOD Set 4.1: A 10 TYR OH : rot 180:sc= 0.149 USER MOD Set 4.2: A 24 ASN : amide:sc= 0.0166 K(o=0.17,f=-8.2!) USER MOD Set 5.1: A 0 MET N :NH3+ -154:sc= 0.903 (180deg=-0.238) USER MOD Set 5.2: A 2 GLN : amide:sc= 0.535 K(o=1.4,f=-5.4) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.087 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.803 K(o=-0.8,f=-1.5) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.914 X(o=-0.91,f=-0.86) USER MOD Single : A 31 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-1.2) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.475 K(o=0.47,f=-0.37) USER MOD Single : A 48 LYS NZ :NH3+ -123:sc= -0.0273 (180deg=-0.634) USER MOD Single : A 51 HIS : no HD1:sc= -0.326 K(o=-0.33,f=-1.1) USER MOD Single : A 52 SER OG : rot 180:sc= 0.54 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -5:sc= 0.357 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 150:sc= -0.967 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -110:sc= -0.0583 USER MOD Single : A 73 THR OG1 : rot -137:sc= 1.92 USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 1.2 (180deg=1.18) USER MOD Single : A 83 ASN : amide:sc= 0.202 X(o=0.2,f=-0.21) USER MOD Single : A 84 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-8.2!) USER MOD Single : A 86 THR OG1 : rot -38:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= 1.13 (180deg=1.07) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -1.137 -22.649 -5.197 1.00 0.00 N ATOM 2 CA MET A 0 -2.290 -23.567 -5.226 1.00 0.00 C ATOM 3 C MET A 0 -3.479 -22.945 -4.492 1.00 0.00 C ATOM 4 O MET A 0 -4.440 -22.518 -5.128 1.00 0.00 O ATOM 5 CB MET A 0 -1.931 -24.946 -4.650 1.00 0.00 C ATOM 6 CG MET A 0 -0.821 -25.645 -5.446 1.00 0.00 C ATOM 7 SD MET A 0 -0.398 -27.299 -4.839 1.00 0.00 S ATOM 8 CE MET A 0 -1.768 -28.250 -5.543 1.00 0.00 C ATOM 0 H1 MET A 0 -0.522 -22.838 -6.015 1.00 0.00 H new ATOM 0 H2 MET A 0 -1.475 -21.666 -5.237 1.00 0.00 H new ATOM 0 H3 MET A 0 -0.599 -22.795 -4.319 1.00 0.00 H new ATOM 0 HA MET A 0 -2.574 -23.724 -6.267 1.00 0.00 H new ATOM 0 HB2 MET A 0 -1.613 -24.832 -3.614 1.00 0.00 H new ATOM 0 HB3 MET A 0 -2.820 -25.576 -4.643 1.00 0.00 H new ATOM 0 HG2 MET A 0 -1.130 -25.721 -6.488 1.00 0.00 H new ATOM 0 HG3 MET A 0 0.073 -25.023 -5.424 1.00 0.00 H new ATOM 0 HE1 MET A 0 -1.664 -29.299 -5.265 1.00 0.00 H new ATOM 0 HE2 MET A 0 -2.713 -27.865 -5.159 1.00 0.00 H new ATOM 0 HE3 MET A 0 -1.754 -28.159 -6.629 1.00 0.00 H new ATOM 20 N ILE A 1 -3.373 -22.851 -3.161 1.00 0.00 N ATOM 21 CA ILE A 1 -4.249 -22.055 -2.313 1.00 0.00 C ATOM 22 C ILE A 1 -3.561 -20.704 -2.112 1.00 0.00 C ATOM 23 O ILE A 1 -2.467 -20.660 -1.558 1.00 0.00 O ATOM 24 CB ILE A 1 -4.579 -22.800 -1.001 1.00 0.00 C ATOM 25 CG1 ILE A 1 -5.379 -21.949 0.002 1.00 0.00 C ATOM 26 CG2 ILE A 1 -3.343 -23.349 -0.279 1.00 0.00 C ATOM 27 CD1 ILE A 1 -6.717 -21.456 -0.553 1.00 0.00 C ATOM 0 H ILE A 1 -2.651 -23.344 -2.635 1.00 0.00 H new ATOM 0 HA ILE A 1 -5.221 -21.886 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 1 -5.195 -23.634 -1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -5.561 -22.537 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.778 -21.089 0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -3.651 -23.859 0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -2.824 -24.052 -0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -2.674 -22.526 -0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -7.229 -20.863 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -6.541 -20.842 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -7.336 -22.311 -0.824 1.00 0.00 H new ATOM 39 N GLN A 2 -4.164 -19.619 -2.612 1.00 0.00 N ATOM 40 CA GLN A 2 -3.604 -18.273 -2.554 1.00 0.00 C ATOM 41 C GLN A 2 -4.091 -17.590 -1.277 1.00 0.00 C ATOM 42 O GLN A 2 -5.295 -17.539 -1.031 1.00 0.00 O ATOM 43 CB GLN A 2 -4.035 -17.461 -3.785 1.00 0.00 C ATOM 44 CG GLN A 2 -3.244 -17.813 -5.052 1.00 0.00 C ATOM 45 CD GLN A 2 -3.364 -19.285 -5.436 1.00 0.00 C ATOM 46 OE1 GLN A 2 -2.392 -20.036 -5.353 1.00 0.00 O ATOM 47 NE2 GLN A 2 -4.565 -19.712 -5.830 1.00 0.00 N ATOM 0 H GLN A 2 -5.072 -19.658 -3.076 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.516 -18.332 -2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.096 -17.629 -3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.913 -16.399 -3.572 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.598 -17.197 -5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.193 -17.567 -4.899 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.346 -19.058 -5.886 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.702 -20.692 -6.075 1.00 0.00 H new ATOM 56 N ARG A 3 -3.158 -17.062 -0.475 1.00 0.00 N ATOM 57 CA ARG A 3 -3.477 -16.339 0.749 1.00 0.00 C ATOM 58 C ARG A 3 -3.751 -14.864 0.458 1.00 0.00 C ATOM 59 O ARG A 3 -3.294 -14.315 -0.544 1.00 0.00 O ATOM 60 CB ARG A 3 -2.361 -16.521 1.780 1.00 0.00 C ATOM 61 CG ARG A 3 -2.500 -17.894 2.447 1.00 0.00 C ATOM 62 CD ARG A 3 -1.314 -18.193 3.367 1.00 0.00 C ATOM 63 NE ARG A 3 -1.556 -19.418 4.141 1.00 0.00 N ATOM 64 CZ ARG A 3 -1.441 -20.675 3.679 1.00 0.00 C ATOM 65 NH1 ARG A 3 -0.915 -20.922 2.471 1.00 0.00 N ATOM 66 NH2 ARG A 3 -1.867 -21.694 4.436 1.00 0.00 N ATOM 0 H ARG A 3 -2.158 -17.128 -0.663 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.391 -16.755 1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.388 -16.437 1.297 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.413 -15.733 2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.425 -17.928 3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.572 -18.666 1.681 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.406 -18.304 2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.152 -17.355 4.044 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.836 -19.305 5.115 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.594 -20.150 1.887 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -0.835 -21.882 2.136 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -2.274 -21.512 5.353 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -1.785 -22.652 4.095 1.00 0.00 H new ATOM 80 N THR A 4 -4.538 -14.247 1.346 1.00 0.00 N ATOM 81 CA THR A 4 -5.121 -12.924 1.165 1.00 0.00 C ATOM 82 C THR A 4 -4.149 -11.813 1.593 1.00 0.00 C ATOM 83 O THR A 4 -3.390 -12.004 2.544 1.00 0.00 O ATOM 84 CB THR A 4 -6.452 -12.859 1.935 1.00 0.00 C ATOM 85 OG1 THR A 4 -7.204 -11.728 1.553 1.00 0.00 O ATOM 86 CG2 THR A 4 -6.251 -12.815 3.451 1.00 0.00 C ATOM 0 H THR A 4 -4.792 -14.673 2.237 1.00 0.00 H new ATOM 0 HA THR A 4 -5.318 -12.756 0.106 1.00 0.00 H new ATOM 0 HB THR A 4 -6.989 -13.773 1.680 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.046 -11.710 2.055 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.221 -12.770 3.946 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.721 -13.711 3.774 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.668 -11.933 3.715 1.00 0.00 H new ATOM 94 N PRO A 5 -4.170 -10.646 0.924 1.00 0.00 N ATOM 95 CA PRO A 5 -3.391 -9.481 1.314 1.00 0.00 C ATOM 96 C PRO A 5 -3.967 -8.820 2.570 1.00 0.00 C ATOM 97 O PRO A 5 -4.908 -8.032 2.493 1.00 0.00 O ATOM 98 CB PRO A 5 -3.417 -8.547 0.099 1.00 0.00 C ATOM 99 CG PRO A 5 -4.729 -8.896 -0.593 1.00 0.00 C ATOM 100 CD PRO A 5 -4.855 -10.396 -0.336 1.00 0.00 C ATOM 0 HA PRO A 5 -2.367 -9.746 1.579 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.388 -7.499 0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.561 -8.716 -0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.568 -8.341 -0.173 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.698 -8.669 -1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.901 -10.695 -0.277 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.404 -10.970 -1.146 1.00 0.00 H new ATOM 108 N LYS A 6 -3.356 -9.112 3.723 1.00 0.00 N ATOM 109 CA LYS A 6 -3.548 -8.375 4.957 1.00 0.00 C ATOM 110 C LYS A 6 -2.906 -6.999 4.790 1.00 0.00 C ATOM 111 O LYS A 6 -1.683 -6.884 4.776 1.00 0.00 O ATOM 112 CB LYS A 6 -2.904 -9.134 6.124 1.00 0.00 C ATOM 113 CG LYS A 6 -3.271 -8.447 7.443 1.00 0.00 C ATOM 114 CD LYS A 6 -2.314 -8.850 8.569 1.00 0.00 C ATOM 115 CE LYS A 6 -2.700 -8.115 9.856 1.00 0.00 C ATOM 116 NZ LYS A 6 -1.771 -8.423 10.957 1.00 0.00 N ATOM 0 H LYS A 6 -2.700 -9.888 3.817 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.610 -8.263 5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.247 -10.169 6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.821 -9.158 6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.245 -7.365 7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.292 -8.710 7.720 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.355 -9.928 8.727 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.288 -8.607 8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.706 -7.040 9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.713 -8.395 10.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.063 -7.908 11.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.785 -9.445 11.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.808 -8.133 10.690 1.00 0.00 H new ATOM 130 N ILE A 7 -3.736 -5.961 4.678 1.00 0.00 N ATOM 131 CA ILE A 7 -3.286 -4.583 4.592 1.00 0.00 C ATOM 132 C ILE A 7 -2.975 -4.049 5.991 1.00 0.00 C ATOM 133 O ILE A 7 -3.686 -4.364 6.944 1.00 0.00 O ATOM 134 CB ILE A 7 -4.349 -3.728 3.878 1.00 0.00 C ATOM 135 CG1 ILE A 7 -5.677 -3.601 4.655 1.00 0.00 C ATOM 136 CG2 ILE A 7 -4.623 -4.299 2.480 1.00 0.00 C ATOM 137 CD1 ILE A 7 -5.758 -2.311 5.482 1.00 0.00 C ATOM 0 H ILE A 7 -4.750 -6.061 4.645 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.369 -4.532 4.005 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.934 -2.722 3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.509 -3.630 3.951 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.790 -4.460 5.317 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.376 -3.690 1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.702 -4.290 1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.986 -5.323 2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.713 -2.275 6.007 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.944 -2.292 6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.675 -1.449 4.820 1.00 0.00 H new ATOM 149 N GLN A 8 -1.939 -3.212 6.112 1.00 0.00 N ATOM 150 CA GLN A 8 -1.746 -2.322 7.226 1.00 0.00 C ATOM 151 C GLN A 8 -1.249 -1.008 6.622 1.00 0.00 C ATOM 152 O GLN A 8 -0.057 -0.836 6.373 1.00 0.00 O ATOM 153 CB GLN A 8 -0.798 -2.944 8.256 1.00 0.00 C ATOM 154 CG GLN A 8 0.356 -3.799 7.716 1.00 0.00 C ATOM 155 CD GLN A 8 -0.051 -5.188 7.228 1.00 0.00 C ATOM 156 OE1 GLN A 8 -0.877 -5.858 7.844 1.00 0.00 O ATOM 157 NE2 GLN A 8 0.533 -5.629 6.113 1.00 0.00 N ATOM 0 H GLN A 8 -1.201 -3.145 5.411 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.661 -2.135 7.788 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.371 -2.138 8.853 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.390 -3.562 8.931 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.831 -3.265 6.893 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.106 -3.910 8.500 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.214 -5.044 5.629 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.298 -6.551 5.745 1.00 0.00 H new ATOM 166 N VAL A 9 -2.193 -0.106 6.329 1.00 0.00 N ATOM 167 CA VAL A 9 -1.930 1.167 5.677 1.00 0.00 C ATOM 168 C VAL A 9 -1.756 2.232 6.758 1.00 0.00 C ATOM 169 O VAL A 9 -2.744 2.756 7.268 1.00 0.00 O ATOM 170 CB VAL A 9 -3.069 1.508 4.703 1.00 0.00 C ATOM 171 CG1 VAL A 9 -2.772 2.830 3.996 1.00 0.00 C ATOM 172 CG2 VAL A 9 -3.245 0.415 3.641 1.00 0.00 C ATOM 0 H VAL A 9 -3.179 -0.251 6.546 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.016 1.118 5.086 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.987 1.586 5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.584 3.065 3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.682 3.626 4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.838 2.744 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.059 0.688 2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.322 0.310 3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.479 -0.531 4.128 1.00 0.00 H new ATOM 182 N TYR A 10 -0.500 2.528 7.109 1.00 0.00 N ATOM 183 CA TYR A 10 -0.158 3.427 8.209 1.00 0.00 C ATOM 184 C TYR A 10 0.638 4.626 7.702 1.00 0.00 C ATOM 185 O TYR A 10 1.280 4.549 6.658 1.00 0.00 O ATOM 186 CB TYR A 10 0.613 2.662 9.296 1.00 0.00 C ATOM 187 CG TYR A 10 1.908 2.000 8.860 1.00 0.00 C ATOM 188 CD1 TYR A 10 3.136 2.676 8.993 1.00 0.00 C ATOM 189 CD2 TYR A 10 1.900 0.656 8.450 1.00 0.00 C ATOM 190 CE1 TYR A 10 4.342 2.020 8.692 1.00 0.00 C ATOM 191 CE2 TYR A 10 3.101 0.012 8.112 1.00 0.00 C ATOM 192 CZ TYR A 10 4.324 0.690 8.239 1.00 0.00 C ATOM 193 OH TYR A 10 5.491 0.058 7.927 1.00 0.00 O ATOM 0 H TYR A 10 0.315 2.144 6.630 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.079 3.809 8.650 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.838 3.354 10.107 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.043 1.894 9.705 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.151 3.703 9.328 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.966 0.116 8.395 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.282 2.538 8.809 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.084 -1.007 7.754 1.00 0.00 H new ATOM 0 HH TYR A 10 5.299 -0.856 7.631 1.00 0.00 H new ATOM 203 N SER A 11 0.619 5.725 8.465 1.00 0.00 N ATOM 204 CA SER A 11 1.529 6.850 8.293 1.00 0.00 C ATOM 205 C SER A 11 2.664 6.742 9.317 1.00 0.00 C ATOM 206 O SER A 11 2.595 5.927 10.233 1.00 0.00 O ATOM 207 CB SER A 11 0.762 8.169 8.416 1.00 0.00 C ATOM 208 OG SER A 11 -0.105 8.152 9.531 1.00 0.00 O ATOM 0 H SER A 11 -0.042 5.854 9.231 1.00 0.00 H new ATOM 0 HA SER A 11 1.971 6.828 7.297 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.467 8.995 8.512 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.187 8.345 7.507 1.00 0.00 H new ATOM 0 HG SER A 11 -0.582 9.006 9.588 1.00 0.00 H new ATOM 214 N ARG A 12 3.720 7.547 9.154 1.00 0.00 N ATOM 215 CA ARG A 12 4.862 7.590 10.066 1.00 0.00 C ATOM 216 C ARG A 12 4.780 8.829 10.958 1.00 0.00 C ATOM 217 O ARG A 12 4.866 8.704 12.178 1.00 0.00 O ATOM 218 CB ARG A 12 6.163 7.504 9.259 1.00 0.00 C ATOM 219 CG ARG A 12 6.436 6.030 8.914 1.00 0.00 C ATOM 220 CD ARG A 12 6.993 5.819 7.506 1.00 0.00 C ATOM 221 NE ARG A 12 8.261 6.520 7.275 1.00 0.00 N ATOM 222 CZ ARG A 12 9.009 6.364 6.168 1.00 0.00 C ATOM 223 NH1 ARG A 12 8.647 5.496 5.212 1.00 0.00 N ATOM 224 NH2 ARG A 12 10.128 7.085 6.012 1.00 0.00 N ATOM 0 H ARG A 12 3.804 8.196 8.372 1.00 0.00 H new ATOM 0 HA ARG A 12 4.846 6.731 10.737 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.081 8.096 8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.992 7.917 9.834 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.141 5.621 9.638 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.510 5.465 9.017 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.139 4.752 7.336 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.258 6.160 6.777 1.00 0.00 H new ATOM 0 HE ARG A 12 8.594 7.162 7.994 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.796 4.945 5.320 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.223 5.387 4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.411 7.750 6.732 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.697 6.969 5.173 1.00 0.00 H new ATOM 238 N HIS A 13 4.576 10.009 10.361 1.00 0.00 N ATOM 239 CA HIS A 13 4.213 11.226 11.083 1.00 0.00 C ATOM 240 C HIS A 13 2.690 11.404 10.966 1.00 0.00 C ATOM 241 O HIS A 13 2.107 10.899 10.007 1.00 0.00 O ATOM 242 CB HIS A 13 4.966 12.419 10.485 1.00 0.00 C ATOM 243 CG HIS A 13 6.433 12.178 10.249 1.00 0.00 C ATOM 244 ND1 HIS A 13 7.306 11.867 11.291 1.00 0.00 N ATOM 245 CD2 HIS A 13 7.132 12.197 9.071 1.00 0.00 C ATOM 246 CE1 HIS A 13 8.496 11.718 10.702 1.00 0.00 C ATOM 247 NE2 HIS A 13 8.447 11.912 9.374 1.00 0.00 N ATOM 0 H HIS A 13 4.660 10.143 9.353 1.00 0.00 H new ATOM 0 HA HIS A 13 4.487 11.159 12.136 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.499 12.690 9.538 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.854 13.274 11.152 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.729 12.398 8.089 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.401 11.468 11.237 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.227 11.859 8.719 1.00 0.00 H new ATOM 255 N PRO A 14 2.014 12.106 11.891 1.00 0.00 N ATOM 256 CA PRO A 14 0.557 12.191 11.911 1.00 0.00 C ATOM 257 C PRO A 14 0.032 13.279 10.961 1.00 0.00 C ATOM 258 O PRO A 14 -0.795 14.095 11.360 1.00 0.00 O ATOM 259 CB PRO A 14 0.219 12.479 13.378 1.00 0.00 C ATOM 260 CG PRO A 14 1.390 13.356 13.820 1.00 0.00 C ATOM 261 CD PRO A 14 2.577 12.745 13.070 1.00 0.00 C ATOM 0 HA PRO A 14 0.081 11.277 11.556 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.736 12.995 13.481 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.152 11.564 13.966 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.236 14.401 13.551 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.534 13.323 14.900 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.300 13.512 12.792 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.103 12.022 13.693 1.00 0.00 H new ATOM 269 N ALA A 15 0.491 13.278 9.701 1.00 0.00 N ATOM 270 CA ALA A 15 0.088 14.213 8.652 1.00 0.00 C ATOM 271 C ALA A 15 0.370 15.680 9.017 1.00 0.00 C ATOM 272 O ALA A 15 0.963 15.975 10.053 1.00 0.00 O ATOM 273 CB ALA A 15 -1.376 13.969 8.270 1.00 0.00 C ATOM 0 H ALA A 15 1.179 12.598 9.377 1.00 0.00 H new ATOM 0 HA ALA A 15 0.705 14.020 7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.670 14.669 7.488 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.492 12.948 7.905 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.010 14.116 9.145 1.00 0.00 H new ATOM 279 N GLU A 16 -0.059 16.598 8.143 1.00 0.00 N ATOM 280 CA GLU A 16 0.054 18.043 8.302 1.00 0.00 C ATOM 281 C GLU A 16 -0.890 18.683 7.275 1.00 0.00 C ATOM 282 O GLU A 16 -1.897 18.077 6.906 1.00 0.00 O ATOM 283 CB GLU A 16 1.529 18.474 8.139 1.00 0.00 C ATOM 284 CG GLU A 16 1.893 19.712 8.977 1.00 0.00 C ATOM 285 CD GLU A 16 1.964 19.391 10.467 1.00 0.00 C ATOM 286 OE1 GLU A 16 3.030 18.897 10.892 1.00 0.00 O ATOM 287 OE2 GLU A 16 0.954 19.654 11.156 1.00 0.00 O ATOM 0 H GLU A 16 -0.514 16.337 7.268 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.241 18.375 9.297 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.177 17.646 8.425 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.726 18.684 7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.854 20.106 8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.153 20.494 8.809 1.00 0.00 H new ATOM 294 N ASN A 17 -0.548 19.876 6.780 1.00 0.00 N ATOM 295 CA ASN A 17 -1.132 20.460 5.580 1.00 0.00 C ATOM 296 C ASN A 17 -0.016 21.125 4.775 1.00 0.00 C ATOM 297 O ASN A 17 0.622 22.057 5.263 1.00 0.00 O ATOM 298 CB ASN A 17 -2.240 21.461 5.937 1.00 0.00 C ATOM 299 CG ASN A 17 -2.962 21.995 4.696 1.00 0.00 C ATOM 300 OD1 ASN A 17 -2.899 21.405 3.619 1.00 0.00 O ATOM 301 ND2 ASN A 17 -3.663 23.121 4.843 1.00 0.00 N ATOM 0 H ASN A 17 0.157 20.471 7.215 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.598 19.680 4.978 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.963 20.980 6.596 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.809 22.295 6.491 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.166 23.516 4.049 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.696 23.587 5.750 1.00 0.00 H new ATOM 308 N GLY A 18 0.237 20.635 3.555 1.00 0.00 N ATOM 309 CA GLY A 18 1.214 21.205 2.635 1.00 0.00 C ATOM 310 C GLY A 18 2.646 20.721 2.880 1.00 0.00 C ATOM 311 O GLY A 18 3.447 20.705 1.947 1.00 0.00 O ATOM 0 H GLY A 18 -0.243 19.817 3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.926 20.957 1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.188 22.291 2.719 1.00 0.00 H new ATOM 315 N LYS A 19 2.981 20.347 4.122 1.00 0.00 N ATOM 316 CA LYS A 19 4.325 19.945 4.513 1.00 0.00 C ATOM 317 C LYS A 19 4.460 18.434 4.366 1.00 0.00 C ATOM 318 O LYS A 19 3.711 17.658 4.957 1.00 0.00 O ATOM 319 CB LYS A 19 4.596 20.379 5.948 1.00 0.00 C ATOM 320 CG LYS A 19 6.058 20.319 6.421 1.00 0.00 C ATOM 321 CD LYS A 19 6.575 18.881 6.565 1.00 0.00 C ATOM 322 CE LYS A 19 7.783 18.766 7.495 1.00 0.00 C ATOM 323 NZ LYS A 19 8.973 19.423 6.929 1.00 0.00 N ATOM 0 H LYS A 19 2.310 20.317 4.890 1.00 0.00 H new ATOM 0 HA LYS A 19 5.059 20.427 3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.241 21.403 6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.997 19.755 6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.687 20.858 5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.147 20.830 7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.772 18.249 6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.845 18.498 5.581 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.544 19.215 8.459 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.001 17.714 7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.771 19.324 7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.217 18.978 6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.773 20.432 6.777 1.00 0.00 H new ATOM 337 N SER A 20 5.435 18.058 3.544 1.00 0.00 N ATOM 338 CA SER A 20 5.626 16.690 3.079 1.00 0.00 C ATOM 339 C SER A 20 5.835 15.725 4.253 1.00 0.00 C ATOM 340 O SER A 20 6.592 16.020 5.176 1.00 0.00 O ATOM 341 CB SER A 20 6.810 16.626 2.112 1.00 0.00 C ATOM 342 OG SER A 20 6.611 15.570 1.200 1.00 0.00 O ATOM 0 H SER A 20 6.128 18.710 3.176 1.00 0.00 H new ATOM 0 HA SER A 20 4.722 16.379 2.554 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.908 17.570 1.577 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.737 16.475 2.664 1.00 0.00 H new ATOM 0 HG SER A 20 7.479 15.231 0.898 1.00 0.00 H new ATOM 348 N ASN A 21 5.139 14.589 4.214 1.00 0.00 N ATOM 349 CA ASN A 21 4.974 13.667 5.332 1.00 0.00 C ATOM 350 C ASN A 21 5.515 12.282 4.929 1.00 0.00 C ATOM 351 O ASN A 21 6.459 12.230 4.146 1.00 0.00 O ATOM 352 CB ASN A 21 3.488 13.712 5.722 1.00 0.00 C ATOM 353 CG ASN A 21 3.271 13.478 7.212 1.00 0.00 C ATOM 354 OD1 ASN A 21 3.446 14.393 8.012 1.00 0.00 O ATOM 355 ND2 ASN A 21 2.870 12.266 7.590 1.00 0.00 N ATOM 0 H ASN A 21 4.658 14.276 3.371 1.00 0.00 H new ATOM 0 HA ASN A 21 5.549 13.939 6.217 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.072 14.680 5.445 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.943 12.957 5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.696 12.071 8.576 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.736 11.533 6.894 1.00 0.00 H new ATOM 362 N PHE A 22 4.963 11.157 5.422 1.00 0.00 N ATOM 363 CA PHE A 22 5.373 9.826 4.965 1.00 0.00 C ATOM 364 C PHE A 22 4.316 8.742 5.225 1.00 0.00 C ATOM 365 O PHE A 22 3.898 8.535 6.363 1.00 0.00 O ATOM 366 CB PHE A 22 6.732 9.419 5.555 1.00 0.00 C ATOM 367 CG PHE A 22 7.773 9.107 4.500 1.00 0.00 C ATOM 368 CD1 PHE A 22 7.584 8.024 3.619 1.00 0.00 C ATOM 369 CD2 PHE A 22 8.875 9.963 4.328 1.00 0.00 C ATOM 370 CE1 PHE A 22 8.495 7.801 2.573 1.00 0.00 C ATOM 371 CE2 PHE A 22 9.789 9.734 3.287 1.00 0.00 C ATOM 372 CZ PHE A 22 9.591 8.662 2.401 1.00 0.00 C ATOM 0 H PHE A 22 4.234 11.149 6.135 1.00 0.00 H new ATOM 0 HA PHE A 22 5.477 9.904 3.883 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.100 10.224 6.192 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.597 8.545 6.192 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.738 7.365 3.748 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.019 10.798 4.998 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.352 6.967 1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.645 10.382 3.167 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.282 8.500 1.587 1.00 0.00 H new ATOM 382 N LEU A 23 3.904 8.071 4.140 1.00 0.00 N ATOM 383 CA LEU A 23 2.839 7.080 4.046 1.00 0.00 C ATOM 384 C LEU A 23 3.438 5.715 3.725 1.00 0.00 C ATOM 385 O LEU A 23 4.368 5.638 2.926 1.00 0.00 O ATOM 386 CB LEU A 23 1.903 7.510 2.911 1.00 0.00 C ATOM 387 CG LEU A 23 0.743 6.569 2.584 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.217 6.500 3.772 1.00 0.00 C ATOM 389 CD2 LEU A 23 -0.002 7.149 1.375 1.00 0.00 C ATOM 0 H LEU A 23 4.348 8.225 3.235 1.00 0.00 H new ATOM 0 HA LEU A 23 2.294 7.011 4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.489 8.486 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.500 7.641 2.008 1.00 0.00 H new ATOM 0 HG LEU A 23 1.118 5.568 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.042 5.828 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.314 6.127 4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.608 7.495 3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.838 6.499 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.378 8.142 1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.679 7.219 0.527 1.00 0.00 H new ATOM 401 N ASN A 24 2.882 4.652 4.320 1.00 0.00 N ATOM 402 CA ASN A 24 3.287 3.267 4.119 1.00 0.00 C ATOM 403 C ASN A 24 2.055 2.390 3.873 1.00 0.00 C ATOM 404 O ASN A 24 1.371 2.019 4.825 1.00 0.00 O ATOM 405 CB ASN A 24 4.039 2.757 5.356 1.00 0.00 C ATOM 406 CG ASN A 24 5.493 3.225 5.469 1.00 0.00 C ATOM 407 OD1 ASN A 24 5.846 4.331 5.067 1.00 0.00 O ATOM 408 ND2 ASN A 24 6.360 2.379 6.032 1.00 0.00 N ATOM 0 H ASN A 24 2.109 4.743 4.979 1.00 0.00 H new ATOM 0 HA ASN A 24 3.944 3.216 3.250 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.500 3.077 6.248 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.024 1.667 5.348 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.339 2.646 6.136 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.043 1.466 6.358 1.00 0.00 H new ATOM 415 N CYS A 25 1.808 2.008 2.609 1.00 0.00 N ATOM 416 CA CYS A 25 0.812 0.995 2.264 1.00 0.00 C ATOM 417 C CYS A 25 1.461 -0.385 2.382 1.00 0.00 C ATOM 418 O CYS A 25 1.747 -1.020 1.369 1.00 0.00 O ATOM 419 CB CYS A 25 0.283 1.177 0.827 1.00 0.00 C ATOM 420 SG CYS A 25 -0.472 2.762 0.379 1.00 0.00 S ATOM 0 H CYS A 25 2.296 2.396 1.802 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.031 1.096 2.948 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.113 1.000 0.143 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.454 0.395 0.643 1.00 0.00 H new ATOM 425 N TYR A 26 1.711 -0.862 3.605 1.00 0.00 N ATOM 426 CA TYR A 26 2.327 -2.165 3.794 1.00 0.00 C ATOM 427 C TYR A 26 1.259 -3.237 3.590 1.00 0.00 C ATOM 428 O TYR A 26 0.225 -3.191 4.249 1.00 0.00 O ATOM 429 CB TYR A 26 2.950 -2.236 5.192 1.00 0.00 C ATOM 430 CG TYR A 26 3.550 -3.574 5.604 1.00 0.00 C ATOM 431 CD1 TYR A 26 4.087 -4.459 4.649 1.00 0.00 C ATOM 432 CD2 TYR A 26 3.562 -3.943 6.964 1.00 0.00 C ATOM 433 CE1 TYR A 26 4.541 -5.728 5.040 1.00 0.00 C ATOM 434 CE2 TYR A 26 3.998 -5.220 7.351 1.00 0.00 C ATOM 435 CZ TYR A 26 4.484 -6.117 6.389 1.00 0.00 C ATOM 436 OH TYR A 26 4.877 -7.368 6.766 1.00 0.00 O ATOM 0 H TYR A 26 1.496 -0.365 4.469 1.00 0.00 H new ATOM 0 HA TYR A 26 3.126 -2.330 3.071 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.731 -1.478 5.256 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.185 -1.967 5.920 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.150 -4.160 3.613 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.233 -3.238 7.714 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.936 -6.409 4.301 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.959 -5.512 8.390 1.00 0.00 H new ATOM 0 HH TYR A 26 5.628 -7.657 6.207 1.00 0.00 H new ATOM 446 N VAL A 27 1.504 -4.194 2.688 1.00 0.00 N ATOM 447 CA VAL A 27 0.624 -5.331 2.464 1.00 0.00 C ATOM 448 C VAL A 27 1.424 -6.570 2.833 1.00 0.00 C ATOM 449 O VAL A 27 2.597 -6.638 2.476 1.00 0.00 O ATOM 450 CB VAL A 27 0.193 -5.402 0.989 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.951 -6.404 0.826 1.00 0.00 C ATOM 452 CG2 VAL A 27 -0.281 -4.052 0.459 1.00 0.00 C ATOM 0 H VAL A 27 2.330 -4.195 2.090 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.283 -5.246 3.063 1.00 0.00 H new ATOM 0 HB VAL A 27 1.070 -5.713 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.250 -6.448 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.620 -7.390 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.800 -6.089 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.574 -4.154 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.135 -3.711 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.527 -3.325 0.540 1.00 0.00 H new ATOM 462 N SER A 28 0.812 -7.539 3.526 1.00 0.00 N ATOM 463 CA SER A 28 1.484 -8.782 3.864 1.00 0.00 C ATOM 464 C SER A 28 0.482 -9.930 4.006 1.00 0.00 C ATOM 465 O SER A 28 -0.683 -9.769 3.659 1.00 0.00 O ATOM 466 CB SER A 28 2.420 -8.569 5.077 1.00 0.00 C ATOM 467 OG SER A 28 2.087 -9.316 6.227 1.00 0.00 O ATOM 0 H SER A 28 -0.150 -7.477 3.860 1.00 0.00 H new ATOM 0 HA SER A 28 2.134 -9.091 3.046 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.438 -8.822 4.780 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.418 -7.510 5.337 1.00 0.00 H new ATOM 0 HG SER A 28 2.730 -9.122 6.941 1.00 0.00 H new ATOM 473 N GLY A 29 0.936 -11.105 4.462 1.00 0.00 N ATOM 474 CA GLY A 29 0.083 -12.264 4.684 1.00 0.00 C ATOM 475 C GLY A 29 -0.191 -13.074 3.413 1.00 0.00 C ATOM 476 O GLY A 29 -0.605 -14.227 3.514 1.00 0.00 O ATOM 0 H GLY A 29 1.917 -11.272 4.687 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.551 -12.913 5.425 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.866 -11.931 5.105 1.00 0.00 H new ATOM 480 N PHE A 30 0.019 -12.483 2.228 1.00 0.00 N ATOM 481 CA PHE A 30 -0.357 -13.066 0.949 1.00 0.00 C ATOM 482 C PHE A 30 0.786 -13.891 0.353 1.00 0.00 C ATOM 483 O PHE A 30 1.869 -13.967 0.931 1.00 0.00 O ATOM 484 CB PHE A 30 -0.817 -11.952 -0.002 1.00 0.00 C ATOM 485 CG PHE A 30 0.258 -10.991 -0.471 1.00 0.00 C ATOM 486 CD1 PHE A 30 0.949 -11.271 -1.662 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.512 -9.783 0.209 1.00 0.00 C ATOM 488 CE1 PHE A 30 1.913 -10.385 -2.154 1.00 0.00 C ATOM 489 CE2 PHE A 30 1.480 -8.893 -0.282 1.00 0.00 C ATOM 490 CZ PHE A 30 2.168 -9.195 -1.466 1.00 0.00 C ATOM 0 H PHE A 30 0.464 -11.569 2.139 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.187 -13.756 1.102 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.270 -12.414 -0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.598 -11.377 0.495 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.733 -12.180 -2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.038 -9.542 1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.456 -10.618 -3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.694 -7.978 0.251 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.902 -8.502 -1.850 1.00 0.00 H new ATOM 500 N HIS A 31 0.521 -14.487 -0.816 1.00 0.00 N ATOM 501 CA HIS A 31 1.456 -15.135 -1.736 1.00 0.00 C ATOM 502 C HIS A 31 0.604 -15.529 -2.959 1.00 0.00 C ATOM 503 O HIS A 31 -0.597 -15.753 -2.790 1.00 0.00 O ATOM 504 CB HIS A 31 2.140 -16.348 -1.079 1.00 0.00 C ATOM 505 CG HIS A 31 1.284 -17.577 -1.103 1.00 0.00 C ATOM 506 ND1 HIS A 31 0.465 -17.928 -0.034 1.00 0.00 N ATOM 507 CD2 HIS A 31 1.039 -18.408 -2.159 1.00 0.00 C ATOM 508 CE1 HIS A 31 -0.265 -18.941 -0.503 1.00 0.00 C ATOM 509 NE2 HIS A 31 0.017 -19.247 -1.778 1.00 0.00 N ATOM 0 H HIS A 31 -0.435 -14.530 -1.170 1.00 0.00 H new ATOM 0 HA HIS A 31 2.276 -14.477 -2.024 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.079 -16.554 -1.594 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.390 -16.104 -0.046 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.550 -18.407 -3.111 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -1.007 -19.462 0.084 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.436 -19.959 -2.351 1.00 0.00 H new ATOM 517 N PRO A 32 1.153 -15.650 -4.180 1.00 0.00 N ATOM 518 CA PRO A 32 2.543 -15.455 -4.569 1.00 0.00 C ATOM 519 C PRO A 32 2.832 -13.965 -4.811 1.00 0.00 C ATOM 520 O PRO A 32 2.144 -13.101 -4.270 1.00 0.00 O ATOM 521 CB PRO A 32 2.691 -16.326 -5.827 1.00 0.00 C ATOM 522 CG PRO A 32 1.331 -16.172 -6.502 1.00 0.00 C ATOM 523 CD PRO A 32 0.385 -16.162 -5.305 1.00 0.00 C ATOM 0 HA PRO A 32 3.265 -15.745 -3.805 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.502 -15.979 -6.467 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.904 -17.365 -5.577 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.265 -15.252 -7.082 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.118 -16.995 -7.184 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.483 -15.533 -5.501 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.012 -17.165 -5.096 1.00 0.00 H new ATOM 531 N SER A 33 3.870 -13.665 -5.600 1.00 0.00 N ATOM 532 CA SER A 33 4.467 -12.345 -5.732 1.00 0.00 C ATOM 533 C SER A 33 3.632 -11.345 -6.538 1.00 0.00 C ATOM 534 O SER A 33 3.884 -10.145 -6.450 1.00 0.00 O ATOM 535 CB SER A 33 5.860 -12.505 -6.356 1.00 0.00 C ATOM 536 OG SER A 33 5.775 -12.776 -7.740 1.00 0.00 O ATOM 0 H SER A 33 4.329 -14.365 -6.182 1.00 0.00 H new ATOM 0 HA SER A 33 4.524 -11.918 -4.731 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.439 -11.595 -6.196 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.394 -13.314 -5.857 1.00 0.00 H new ATOM 0 HG SER A 33 6.677 -12.871 -8.111 1.00 0.00 H new ATOM 542 N ASP A 34 2.694 -11.826 -7.361 1.00 0.00 N ATOM 543 CA ASP A 34 2.079 -11.020 -8.403 1.00 0.00 C ATOM 544 C ASP A 34 0.962 -10.133 -7.844 1.00 0.00 C ATOM 545 O ASP A 34 -0.191 -10.555 -7.769 1.00 0.00 O ATOM 546 CB ASP A 34 1.600 -11.941 -9.531 1.00 0.00 C ATOM 547 CG ASP A 34 0.986 -11.162 -10.693 1.00 0.00 C ATOM 548 OD1 ASP A 34 1.520 -10.074 -10.999 1.00 0.00 O ATOM 549 OD2 ASP A 34 0.001 -11.677 -11.265 1.00 0.00 O ATOM 0 H ASP A 34 2.345 -12.784 -7.318 1.00 0.00 H new ATOM 0 HA ASP A 34 2.817 -10.332 -8.816 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.440 -12.532 -9.896 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.864 -12.642 -9.137 1.00 0.00 H new ATOM 554 N ILE A 35 1.318 -8.903 -7.451 1.00 0.00 N ATOM 555 CA ILE A 35 0.386 -7.905 -6.934 1.00 0.00 C ATOM 556 C ILE A 35 0.685 -6.515 -7.503 1.00 0.00 C ATOM 557 O ILE A 35 1.822 -6.212 -7.863 1.00 0.00 O ATOM 558 CB ILE A 35 0.384 -7.945 -5.394 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.531 -6.907 -4.736 1.00 0.00 C ATOM 560 CG2 ILE A 35 1.794 -7.835 -4.836 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.652 -7.104 -3.221 1.00 0.00 C ATOM 0 H ILE A 35 2.282 -8.572 -7.486 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.624 -8.145 -7.266 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.032 -8.919 -5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.146 -5.908 -4.939 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.522 -6.964 -5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.758 -7.866 -3.747 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.396 -8.666 -5.203 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.240 -6.894 -5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.312 -6.342 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.064 -8.092 -3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.334 -7.019 -2.763 1.00 0.00 H new ATOM 573 N GLU A 36 -0.362 -5.683 -7.574 1.00 0.00 N ATOM 574 CA GLU A 36 -0.342 -4.333 -8.121 1.00 0.00 C ATOM 575 C GLU A 36 -0.918 -3.335 -7.113 1.00 0.00 C ATOM 576 O GLU A 36 -2.024 -3.536 -6.610 1.00 0.00 O ATOM 577 CB GLU A 36 -1.120 -4.272 -9.434 1.00 0.00 C ATOM 578 CG GLU A 36 -0.797 -5.454 -10.346 1.00 0.00 C ATOM 579 CD GLU A 36 -1.183 -5.182 -11.802 1.00 0.00 C ATOM 580 OE1 GLU A 36 -2.143 -4.406 -12.013 1.00 0.00 O ATOM 581 OE2 GLU A 36 -0.504 -5.749 -12.685 1.00 0.00 O ATOM 0 H GLU A 36 -1.286 -5.951 -7.234 1.00 0.00 H new ATOM 0 HA GLU A 36 0.695 -4.062 -8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.189 -4.259 -9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.887 -3.341 -9.951 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.269 -5.674 -10.289 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.324 -6.339 -9.991 1.00 0.00 H new ATOM 588 N VAL A 37 -0.149 -2.277 -6.806 1.00 0.00 N ATOM 589 CA VAL A 37 -0.432 -1.323 -5.737 1.00 0.00 C ATOM 590 C VAL A 37 0.003 0.075 -6.181 1.00 0.00 C ATOM 591 O VAL A 37 1.074 0.551 -5.812 1.00 0.00 O ATOM 592 CB VAL A 37 0.258 -1.785 -4.431 1.00 0.00 C ATOM 593 CG1 VAL A 37 0.044 -0.901 -3.193 1.00 0.00 C ATOM 594 CG2 VAL A 37 -0.252 -3.174 -4.053 1.00 0.00 C ATOM 0 H VAL A 37 0.709 -2.062 -7.313 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.501 -1.279 -5.531 1.00 0.00 H new ATOM 0 HB VAL A 37 1.320 -1.744 -4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.577 -1.329 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.424 0.101 -3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.020 -0.847 -2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.233 -3.502 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.331 -3.137 -3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.022 -3.876 -4.854 1.00 0.00 H new ATOM 604 N ASP A 38 -0.855 0.734 -6.969 1.00 0.00 N ATOM 605 CA ASP A 38 -0.739 2.147 -7.294 1.00 0.00 C ATOM 606 C ASP A 38 -1.206 2.965 -6.083 1.00 0.00 C ATOM 607 O ASP A 38 -2.386 2.933 -5.734 1.00 0.00 O ATOM 608 CB ASP A 38 -1.592 2.496 -8.529 1.00 0.00 C ATOM 609 CG ASP A 38 -1.216 1.698 -9.778 1.00 0.00 C ATOM 610 OD1 ASP A 38 -1.642 0.524 -9.855 1.00 0.00 O ATOM 611 OD2 ASP A 38 -0.532 2.282 -10.648 1.00 0.00 O ATOM 0 H ASP A 38 -1.662 0.285 -7.403 1.00 0.00 H new ATOM 0 HA ASP A 38 0.299 2.382 -7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.642 2.318 -8.297 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.488 3.560 -8.743 1.00 0.00 H new ATOM 616 N LEU A 39 -0.289 3.705 -5.451 1.00 0.00 N ATOM 617 CA LEU A 39 -0.621 4.703 -4.447 1.00 0.00 C ATOM 618 C LEU A 39 -1.287 5.880 -5.164 1.00 0.00 C ATOM 619 O LEU A 39 -0.767 6.337 -6.177 1.00 0.00 O ATOM 620 CB LEU A 39 0.653 5.131 -3.707 1.00 0.00 C ATOM 621 CG LEU A 39 1.147 4.071 -2.711 1.00 0.00 C ATOM 622 CD1 LEU A 39 1.820 2.860 -3.365 1.00 0.00 C ATOM 623 CD2 LEU A 39 2.138 4.711 -1.736 1.00 0.00 C ATOM 0 H LEU A 39 0.712 3.622 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.309 4.304 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.439 5.334 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.463 6.063 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 39 0.257 3.701 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.139 2.160 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.113 2.367 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.687 3.190 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.489 3.960 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.986 5.112 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.645 5.518 -1.193 1.00 0.00 H new ATOM 635 N LEU A 40 -2.464 6.314 -4.690 1.00 0.00 N ATOM 636 CA LEU A 40 -3.428 7.072 -5.482 1.00 0.00 C ATOM 637 C LEU A 40 -4.104 8.137 -4.613 1.00 0.00 C ATOM 638 O LEU A 40 -4.732 7.789 -3.617 1.00 0.00 O ATOM 639 CB LEU A 40 -4.449 6.058 -6.032 1.00 0.00 C ATOM 640 CG LEU A 40 -5.237 6.446 -7.294 1.00 0.00 C ATOM 641 CD1 LEU A 40 -6.093 7.705 -7.131 1.00 0.00 C ATOM 642 CD2 LEU A 40 -4.310 6.583 -8.503 1.00 0.00 C ATOM 0 H LEU A 40 -2.772 6.143 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.943 7.599 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.919 5.129 -6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.168 5.844 -5.241 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.933 5.625 -7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.617 7.912 -8.064 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.820 7.550 -6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.453 8.550 -6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.895 6.858 -9.381 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.567 7.355 -8.306 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.807 5.633 -8.685 1.00 0.00 H new ATOM 654 N LYS A 41 -3.990 9.427 -4.971 1.00 0.00 N ATOM 655 CA LYS A 41 -4.650 10.511 -4.254 1.00 0.00 C ATOM 656 C LYS A 41 -6.133 10.614 -4.626 1.00 0.00 C ATOM 657 O LYS A 41 -6.842 9.611 -4.631 1.00 0.00 O ATOM 658 CB LYS A 41 -3.856 11.789 -4.519 1.00 0.00 C ATOM 659 CG LYS A 41 -2.428 11.617 -4.014 1.00 0.00 C ATOM 660 CD LYS A 41 -1.445 12.388 -4.888 1.00 0.00 C ATOM 661 CE LYS A 41 -1.797 13.873 -4.847 1.00 0.00 C ATOM 662 NZ LYS A 41 -0.660 14.731 -5.215 1.00 0.00 N ATOM 0 H LYS A 41 -3.435 9.739 -5.768 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.656 10.322 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.851 12.011 -5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.330 12.634 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.358 11.967 -2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.165 10.559 -4.009 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.426 12.233 -4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.485 12.020 -5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.628 14.065 -5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.137 14.135 -3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.006 15.683 -5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.002 14.793 -4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.171 14.325 -6.038 1.00 0.00 H new ATOM 676 N ASN A 42 -6.606 11.824 -4.946 1.00 0.00 N ATOM 677 CA ASN A 42 -7.930 12.043 -5.518 1.00 0.00 C ATOM 678 C ASN A 42 -8.046 11.382 -6.899 1.00 0.00 C ATOM 679 O ASN A 42 -9.037 10.710 -7.179 1.00 0.00 O ATOM 680 CB ASN A 42 -8.270 13.544 -5.559 1.00 0.00 C ATOM 681 CG ASN A 42 -7.579 14.290 -6.703 1.00 0.00 C ATOM 682 OD1 ASN A 42 -8.194 14.541 -7.736 1.00 0.00 O ATOM 683 ND2 ASN A 42 -6.299 14.628 -6.547 1.00 0.00 N ATOM 0 H ASN A 42 -6.072 12.683 -4.812 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.668 11.567 -4.873 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.349 13.663 -5.657 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.984 14.000 -4.611 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.803 15.109 -7.298 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.815 14.406 -5.677 1.00 0.00 H new ATOM 690 N GLY A 43 -7.033 11.564 -7.755 1.00 0.00 N ATOM 691 CA GLY A 43 -6.999 11.002 -9.099 1.00 0.00 C ATOM 692 C GLY A 43 -5.609 11.105 -9.729 1.00 0.00 C ATOM 693 O GLY A 43 -5.498 11.130 -10.953 1.00 0.00 O ATOM 0 H GLY A 43 -6.206 12.114 -7.525 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.304 9.956 -9.062 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.721 11.522 -9.728 1.00 0.00 H new ATOM 697 N GLU A 44 -4.560 11.156 -8.897 1.00 0.00 N ATOM 698 CA GLU A 44 -3.166 11.236 -9.309 1.00 0.00 C ATOM 699 C GLU A 44 -2.407 10.068 -8.676 1.00 0.00 C ATOM 700 O GLU A 44 -2.363 9.965 -7.449 1.00 0.00 O ATOM 701 CB GLU A 44 -2.600 12.587 -8.853 1.00 0.00 C ATOM 702 CG GLU A 44 -1.121 12.753 -9.223 1.00 0.00 C ATOM 703 CD GLU A 44 -0.560 14.055 -8.663 1.00 0.00 C ATOM 704 OE1 GLU A 44 -0.982 15.122 -9.158 1.00 0.00 O ATOM 705 OE2 GLU A 44 0.266 13.961 -7.729 1.00 0.00 O ATOM 0 H GLU A 44 -4.671 11.142 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.065 11.168 -10.392 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.178 13.392 -9.306 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.715 12.681 -7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.549 11.910 -8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.010 12.742 -10.307 1.00 0.00 H new ATOM 712 N ARG A 45 -1.813 9.199 -9.508 1.00 0.00 N ATOM 713 CA ARG A 45 -1.017 8.071 -9.039 1.00 0.00 C ATOM 714 C ARG A 45 0.427 8.497 -8.780 1.00 0.00 C ATOM 715 O ARG A 45 0.964 9.352 -9.483 1.00 0.00 O ATOM 716 CB ARG A 45 -1.118 6.866 -9.986 1.00 0.00 C ATOM 717 CG ARG A 45 -0.221 6.939 -11.228 1.00 0.00 C ATOM 718 CD ARG A 45 -0.278 5.598 -11.967 1.00 0.00 C ATOM 719 NE ARG A 45 0.730 5.524 -13.031 1.00 0.00 N ATOM 720 CZ ARG A 45 0.994 4.423 -13.753 1.00 0.00 C ATOM 721 NH1 ARG A 45 0.342 3.273 -13.523 1.00 0.00 N ATOM 722 NH2 ARG A 45 1.928 4.488 -14.710 1.00 0.00 N ATOM 0 H ARG A 45 -1.875 9.265 -10.524 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.430 7.739 -8.087 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.868 5.963 -9.429 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.154 6.764 -10.310 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.552 7.744 -11.884 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.805 7.165 -10.938 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.120 4.785 -11.259 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.271 5.460 -12.395 1.00 0.00 H new ATOM 0 HE ARG A 45 1.267 6.367 -13.236 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.366 3.226 -12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.555 2.446 -14.081 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.424 5.363 -14.880 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.143 3.663 -15.269 1.00 0.00 H new ATOM 736 N ILE A 46 1.045 7.903 -7.756 1.00 0.00 N ATOM 737 CA ILE A 46 2.334 8.267 -7.238 1.00 0.00 C ATOM 738 C ILE A 46 3.325 7.217 -7.732 1.00 0.00 C ATOM 739 O ILE A 46 3.415 6.132 -7.163 1.00 0.00 O ATOM 740 CB ILE A 46 2.189 8.305 -5.711 1.00 0.00 C ATOM 741 CG1 ILE A 46 1.137 9.357 -5.310 1.00 0.00 C ATOM 742 CG2 ILE A 46 3.537 8.634 -5.090 1.00 0.00 C ATOM 743 CD1 ILE A 46 0.814 9.365 -3.818 1.00 0.00 C ATOM 0 H ILE A 46 0.627 7.120 -7.253 1.00 0.00 H new ATOM 0 HA ILE A 46 2.698 9.240 -7.568 1.00 0.00 H new ATOM 0 HB ILE A 46 1.857 7.332 -5.348 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.495 10.345 -5.600 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.220 9.173 -5.870 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.440 8.662 -4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.263 7.870 -5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.876 9.606 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.066 10.131 -3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.425 8.390 -3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.720 9.580 -3.251 1.00 0.00 H new ATOM 755 N GLU A 47 4.041 7.538 -8.813 1.00 0.00 N ATOM 756 CA GLU A 47 4.973 6.621 -9.455 1.00 0.00 C ATOM 757 C GLU A 47 6.296 6.542 -8.682 1.00 0.00 C ATOM 758 O GLU A 47 6.922 5.483 -8.653 1.00 0.00 O ATOM 759 CB GLU A 47 5.185 7.029 -10.920 1.00 0.00 C ATOM 760 CG GLU A 47 3.870 6.957 -11.719 1.00 0.00 C ATOM 761 CD GLU A 47 4.064 7.174 -13.219 1.00 0.00 C ATOM 762 OE1 GLU A 47 5.178 7.585 -13.612 1.00 0.00 O ATOM 763 OE2 GLU A 47 3.082 6.924 -13.953 1.00 0.00 O ATOM 0 H GLU A 47 3.986 8.450 -9.267 1.00 0.00 H new ATOM 0 HA GLU A 47 4.545 5.619 -9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.584 8.043 -10.963 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.927 6.375 -11.378 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.406 5.984 -11.556 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.178 7.708 -11.336 1.00 0.00 H new ATOM 770 N LYS A 48 6.718 7.644 -8.042 1.00 0.00 N ATOM 771 CA LYS A 48 7.924 7.687 -7.224 1.00 0.00 C ATOM 772 C LYS A 48 7.644 7.071 -5.850 1.00 0.00 C ATOM 773 O LYS A 48 7.541 7.785 -4.852 1.00 0.00 O ATOM 774 CB LYS A 48 8.441 9.129 -7.096 1.00 0.00 C ATOM 775 CG LYS A 48 8.688 9.772 -8.466 1.00 0.00 C ATOM 776 CD LYS A 48 9.557 11.037 -8.401 1.00 0.00 C ATOM 777 CE LYS A 48 8.941 12.193 -7.599 1.00 0.00 C ATOM 778 NZ LYS A 48 9.205 12.087 -6.152 1.00 0.00 N ATOM 0 H LYS A 48 6.222 8.534 -8.083 1.00 0.00 H new ATOM 0 HA LYS A 48 8.704 7.101 -7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.718 9.726 -6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.367 9.133 -6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.169 9.044 -9.119 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.729 10.022 -8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.520 10.779 -7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.753 11.380 -9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.339 13.138 -7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.864 12.213 -7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.303 12.080 -5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.723 11.207 -5.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.775 12.900 -5.843 1.00 0.00 H new ATOM 792 N VAL A 49 7.532 5.738 -5.806 1.00 0.00 N ATOM 793 CA VAL A 49 7.364 4.981 -4.574 1.00 0.00 C ATOM 794 C VAL A 49 8.749 4.532 -4.109 1.00 0.00 C ATOM 795 O VAL A 49 9.528 3.994 -4.895 1.00 0.00 O ATOM 796 CB VAL A 49 6.420 3.783 -4.790 1.00 0.00 C ATOM 797 CG1 VAL A 49 6.054 3.120 -3.456 1.00 0.00 C ATOM 798 CG2 VAL A 49 5.122 4.218 -5.479 1.00 0.00 C ATOM 0 H VAL A 49 7.557 5.153 -6.641 1.00 0.00 H new ATOM 0 HA VAL A 49 6.904 5.602 -3.806 1.00 0.00 H new ATOM 0 HB VAL A 49 6.953 3.073 -5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.387 2.278 -3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.960 2.765 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.554 3.846 -2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.476 3.351 -5.618 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.611 4.956 -4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.355 4.657 -6.449 1.00 0.00 H new ATOM 808 N GLU A 50 9.047 4.751 -2.826 1.00 0.00 N ATOM 809 CA GLU A 50 10.271 4.331 -2.168 1.00 0.00 C ATOM 810 C GLU A 50 10.073 2.892 -1.692 1.00 0.00 C ATOM 811 O GLU A 50 10.132 2.617 -0.501 1.00 0.00 O ATOM 812 CB GLU A 50 10.534 5.304 -1.009 1.00 0.00 C ATOM 813 CG GLU A 50 11.926 5.171 -0.391 1.00 0.00 C ATOM 814 CD GLU A 50 12.129 6.244 0.675 1.00 0.00 C ATOM 815 OE1 GLU A 50 11.528 6.089 1.761 1.00 0.00 O ATOM 816 OE2 GLU A 50 12.866 7.211 0.381 1.00 0.00 O ATOM 0 H GLU A 50 8.413 5.246 -2.199 1.00 0.00 H new ATOM 0 HA GLU A 50 11.137 4.351 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.403 6.325 -1.368 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.786 5.140 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.044 4.181 0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.687 5.267 -1.165 1.00 0.00 H new ATOM 823 N HIS A 51 9.779 1.974 -2.615 1.00 0.00 N ATOM 824 CA HIS A 51 9.346 0.626 -2.278 1.00 0.00 C ATOM 825 C HIS A 51 10.522 -0.233 -1.813 1.00 0.00 C ATOM 826 O HIS A 51 11.669 0.027 -2.172 1.00 0.00 O ATOM 827 CB HIS A 51 8.631 -0.005 -3.485 1.00 0.00 C ATOM 828 CG HIS A 51 9.345 0.218 -4.796 1.00 0.00 C ATOM 829 ND1 HIS A 51 8.786 1.008 -5.801 1.00 0.00 N ATOM 830 CD2 HIS A 51 10.599 -0.169 -5.187 1.00 0.00 C ATOM 831 CE1 HIS A 51 9.726 1.074 -6.747 1.00 0.00 C ATOM 832 NE2 HIS A 51 10.834 0.386 -6.427 1.00 0.00 N ATOM 0 H HIS A 51 9.836 2.150 -3.618 1.00 0.00 H new ATOM 0 HA HIS A 51 8.643 0.680 -1.447 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.527 -1.077 -3.315 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.624 0.406 -3.555 1.00 0.00 H new ATOM 0 HD2 HIS A 51 11.279 -0.794 -4.627 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.608 1.622 -7.670 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.680 0.293 -6.989 1.00 0.00 H new ATOM 840 N SER A 52 10.218 -1.278 -1.034 1.00 0.00 N ATOM 841 CA SER A 52 11.123 -2.390 -0.785 1.00 0.00 C ATOM 842 C SER A 52 10.795 -3.507 -1.779 1.00 0.00 C ATOM 843 O SER A 52 9.650 -3.621 -2.216 1.00 0.00 O ATOM 844 CB SER A 52 11.010 -2.856 0.669 1.00 0.00 C ATOM 845 OG SER A 52 9.701 -3.285 0.980 1.00 0.00 O ATOM 0 H SER A 52 9.322 -1.370 -0.555 1.00 0.00 H new ATOM 0 HA SER A 52 12.158 -2.083 -0.932 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.712 -3.671 0.845 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.294 -2.041 1.335 1.00 0.00 H new ATOM 0 HG SER A 52 9.666 -3.577 1.915 1.00 0.00 H new ATOM 851 N ASP A 53 11.799 -4.307 -2.159 1.00 0.00 N ATOM 852 CA ASP A 53 11.662 -5.303 -3.214 1.00 0.00 C ATOM 853 C ASP A 53 10.669 -6.394 -2.813 1.00 0.00 C ATOM 854 O ASP A 53 9.525 -6.381 -3.265 1.00 0.00 O ATOM 855 CB ASP A 53 13.036 -5.886 -3.578 1.00 0.00 C ATOM 856 CG ASP A 53 13.937 -4.828 -4.203 1.00 0.00 C ATOM 857 OD1 ASP A 53 14.581 -4.098 -3.418 1.00 0.00 O ATOM 858 OD2 ASP A 53 13.961 -4.764 -5.452 1.00 0.00 O ATOM 0 H ASP A 53 12.728 -4.277 -1.739 1.00 0.00 H new ATOM 0 HA ASP A 53 11.260 -4.817 -4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.511 -6.289 -2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.909 -6.716 -4.273 1.00 0.00 H new ATOM 863 N LEU A 54 11.109 -7.345 -1.980 1.00 0.00 N ATOM 864 CA LEU A 54 10.295 -8.467 -1.546 1.00 0.00 C ATOM 865 C LEU A 54 10.931 -9.071 -0.296 1.00 0.00 C ATOM 866 O LEU A 54 12.076 -9.519 -0.338 1.00 0.00 O ATOM 867 CB LEU A 54 10.150 -9.473 -2.701 1.00 0.00 C ATOM 868 CG LEU A 54 9.202 -10.658 -2.450 1.00 0.00 C ATOM 869 CD1 LEU A 54 9.939 -11.864 -1.878 1.00 0.00 C ATOM 870 CD2 LEU A 54 8.032 -10.336 -1.524 1.00 0.00 C ATOM 0 H LEU A 54 12.051 -7.349 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 54 9.286 -8.150 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.801 -8.935 -3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.138 -9.868 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 54 8.800 -10.888 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.233 -12.678 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.709 -12.186 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.402 -11.591 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.412 -11.224 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.413 -10.020 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.434 -9.534 -1.958 1.00 0.00 H new ATOM 882 N SER A 55 10.179 -9.070 0.809 1.00 0.00 N ATOM 883 CA SER A 55 10.556 -9.655 2.083 1.00 0.00 C ATOM 884 C SER A 55 9.537 -10.738 2.426 1.00 0.00 C ATOM 885 O SER A 55 8.601 -10.483 3.175 1.00 0.00 O ATOM 886 CB SER A 55 10.590 -8.554 3.154 1.00 0.00 C ATOM 887 OG SER A 55 11.039 -9.074 4.389 1.00 0.00 O ATOM 0 H SER A 55 9.254 -8.642 0.833 1.00 0.00 H new ATOM 0 HA SER A 55 11.548 -10.104 2.034 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.248 -7.747 2.832 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.595 -8.125 3.274 1.00 0.00 H new ATOM 0 HG SER A 55 11.055 -8.359 5.059 1.00 0.00 H new ATOM 893 N PHE A 56 9.717 -11.964 1.921 1.00 0.00 N ATOM 894 CA PHE A 56 8.798 -13.057 2.228 1.00 0.00 C ATOM 895 C PHE A 56 9.086 -13.693 3.600 1.00 0.00 C ATOM 896 O PHE A 56 8.840 -14.885 3.781 1.00 0.00 O ATOM 897 CB PHE A 56 8.743 -14.083 1.083 1.00 0.00 C ATOM 898 CG PHE A 56 9.950 -14.978 0.879 1.00 0.00 C ATOM 899 CD1 PHE A 56 11.139 -14.467 0.325 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.843 -16.358 1.138 1.00 0.00 C ATOM 901 CE1 PHE A 56 12.250 -15.307 0.142 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.958 -17.197 0.963 1.00 0.00 C ATOM 903 CZ PHE A 56 12.167 -16.668 0.479 1.00 0.00 C ATOM 0 H PHE A 56 10.487 -12.219 1.302 1.00 0.00 H new ATOM 0 HA PHE A 56 7.798 -12.632 2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.876 -14.722 1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.568 -13.540 0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.197 -13.427 0.040 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.903 -16.773 1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.169 -14.906 -0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.885 -18.248 1.201 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.030 -17.307 0.366 1.00 0.00 H new ATOM 913 N SER A 57 9.575 -12.898 4.570 1.00 0.00 N ATOM 914 CA SER A 57 9.982 -13.307 5.913 1.00 0.00 C ATOM 915 C SER A 57 10.822 -14.586 5.872 1.00 0.00 C ATOM 916 O SER A 57 10.567 -15.510 6.638 1.00 0.00 O ATOM 917 CB SER A 57 8.743 -13.439 6.813 1.00 0.00 C ATOM 918 OG SER A 57 7.861 -14.449 6.365 1.00 0.00 O ATOM 0 H SER A 57 9.701 -11.897 4.421 1.00 0.00 H new ATOM 0 HA SER A 57 10.624 -12.539 6.344 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.059 -13.661 7.832 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.215 -12.486 6.843 1.00 0.00 H new ATOM 0 HG SER A 57 8.187 -14.815 5.517 1.00 0.00 H new ATOM 924 N LYS A 58 11.775 -14.638 4.930 1.00 0.00 N ATOM 925 CA LYS A 58 12.107 -15.740 4.018 1.00 0.00 C ATOM 926 C LYS A 58 11.593 -17.151 4.372 1.00 0.00 C ATOM 927 O LYS A 58 12.351 -18.116 4.294 1.00 0.00 O ATOM 928 CB LYS A 58 13.604 -15.725 3.661 1.00 0.00 C ATOM 929 CG LYS A 58 14.072 -14.395 3.042 1.00 0.00 C ATOM 930 CD LYS A 58 15.278 -13.792 3.777 1.00 0.00 C ATOM 931 CE LYS A 58 14.928 -13.311 5.192 1.00 0.00 C ATOM 932 NZ LYS A 58 16.084 -12.664 5.840 1.00 0.00 N ATOM 0 H LYS A 58 12.387 -13.837 4.774 1.00 0.00 H new ATOM 0 HA LYS A 58 11.514 -15.519 3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.186 -15.923 4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.811 -16.535 2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.333 -14.557 1.996 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.248 -13.682 3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.072 -14.537 3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.669 -12.955 3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.096 -12.609 5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.597 -14.157 5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.816 -12.350 6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.869 -13.343 5.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.383 -11.843 5.276 1.00 0.00 H new ATOM 946 N ASP A 59 10.290 -17.276 4.666 1.00 0.00 N ATOM 947 CA ASP A 59 9.615 -18.514 5.021 1.00 0.00 C ATOM 948 C ASP A 59 8.515 -18.787 3.997 1.00 0.00 C ATOM 949 O ASP A 59 8.633 -19.698 3.180 1.00 0.00 O ATOM 950 CB ASP A 59 9.003 -18.378 6.431 1.00 0.00 C ATOM 951 CG ASP A 59 10.029 -18.398 7.567 1.00 0.00 C ATOM 952 OD1 ASP A 59 11.171 -18.848 7.330 1.00 0.00 O ATOM 953 OD2 ASP A 59 9.639 -17.970 8.675 1.00 0.00 O ATOM 0 H ASP A 59 9.658 -16.475 4.660 1.00 0.00 H new ATOM 0 HA ASP A 59 10.325 -19.341 5.022 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.440 -17.446 6.482 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.291 -19.189 6.585 1.00 0.00 H new ATOM 958 N TRP A 60 7.435 -17.997 4.073 1.00 0.00 N ATOM 959 CA TRP A 60 6.211 -18.195 3.314 1.00 0.00 C ATOM 960 C TRP A 60 5.406 -16.902 3.204 1.00 0.00 C ATOM 961 O TRP A 60 4.939 -16.588 2.111 1.00 0.00 O ATOM 962 CB TRP A 60 5.364 -19.313 3.940 1.00 0.00 C ATOM 963 CG TRP A 60 5.456 -20.618 3.217 1.00 0.00 C ATOM 964 CD1 TRP A 60 6.198 -21.684 3.588 1.00 0.00 C ATOM 965 CD2 TRP A 60 4.840 -20.980 1.946 1.00 0.00 C ATOM 966 NE1 TRP A 60 6.089 -22.681 2.639 1.00 0.00 N ATOM 967 CE2 TRP A 60 5.269 -22.293 1.598 1.00 0.00 C ATOM 968 CE3 TRP A 60 3.972 -20.325 1.045 1.00 0.00 C ATOM 969 CZ2 TRP A 60 4.866 -22.921 0.410 1.00 0.00 C ATOM 970 CZ3 TRP A 60 3.557 -20.947 -0.146 1.00 0.00 C ATOM 971 CH2 TRP A 60 4.008 -22.239 -0.469 1.00 0.00 C ATOM 0 H TRP A 60 7.397 -17.181 4.684 1.00 0.00 H new ATOM 0 HA TRP A 60 6.490 -18.495 2.304 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.678 -19.458 4.974 1.00 0.00 H new ATOM 0 HB3 TRP A 60 4.322 -18.995 3.965 1.00 0.00 H new ATOM 0 HD1 TRP A 60 6.788 -21.747 4.491 1.00 0.00 H new ATOM 0 HE1 TRP A 60 6.554 -23.587 2.699 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.621 -19.330 1.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.211 -23.917 0.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.888 -20.429 -0.817 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.695 -22.706 -1.391 1.00 0.00 H new ATOM 982 N SER A 61 5.220 -16.178 4.318 1.00 0.00 N ATOM 983 CA SER A 61 4.475 -14.924 4.343 1.00 0.00 C ATOM 984 C SER A 61 5.156 -13.921 3.408 1.00 0.00 C ATOM 985 O SER A 61 6.158 -13.325 3.784 1.00 0.00 O ATOM 986 CB SER A 61 4.377 -14.402 5.783 1.00 0.00 C ATOM 987 OG SER A 61 3.599 -13.222 5.826 1.00 0.00 O ATOM 0 H SER A 61 5.587 -16.453 5.229 1.00 0.00 H new ATOM 0 HA SER A 61 3.456 -15.079 3.988 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.931 -15.163 6.423 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.375 -14.202 6.173 1.00 0.00 H new ATOM 0 HG SER A 61 3.543 -12.900 6.750 1.00 0.00 H new ATOM 993 N PHE A 62 4.618 -13.797 2.188 1.00 0.00 N ATOM 994 CA PHE A 62 5.156 -13.120 1.020 1.00 0.00 C ATOM 995 C PHE A 62 4.641 -11.685 1.028 1.00 0.00 C ATOM 996 O PHE A 62 3.427 -11.493 1.098 1.00 0.00 O ATOM 997 CB PHE A 62 4.689 -13.882 -0.231 1.00 0.00 C ATOM 998 CG PHE A 62 5.691 -13.936 -1.359 1.00 0.00 C ATOM 999 CD1 PHE A 62 5.719 -12.917 -2.322 1.00 0.00 C ATOM 1000 CD2 PHE A 62 6.626 -14.987 -1.427 1.00 0.00 C ATOM 1001 CE1 PHE A 62 6.720 -12.914 -3.299 1.00 0.00 C ATOM 1002 CE2 PHE A 62 7.577 -15.022 -2.455 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.629 -13.979 -3.393 1.00 0.00 C ATOM 0 H PHE A 62 3.708 -14.211 1.983 1.00 0.00 H new ATOM 0 HA PHE A 62 6.246 -13.098 1.025 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.435 -14.902 0.058 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.774 -13.418 -0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.971 -12.138 -2.309 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.610 -15.770 -0.683 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.794 -12.085 -3.987 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.268 -15.849 -2.526 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.365 -13.996 -4.183 1.00 0.00 H new ATOM 1013 N TYR A 63 5.527 -10.676 1.002 1.00 0.00 N ATOM 1014 CA TYR A 63 5.060 -9.310 1.193 1.00 0.00 C ATOM 1015 C TYR A 63 6.119 -8.281 0.812 1.00 0.00 C ATOM 1016 O TYR A 63 7.288 -8.605 0.640 1.00 0.00 O ATOM 1017 CB TYR A 63 4.725 -9.090 2.653 1.00 0.00 C ATOM 1018 CG TYR A 63 5.777 -9.432 3.666 1.00 0.00 C ATOM 1019 CD1 TYR A 63 6.711 -8.438 3.996 1.00 0.00 C ATOM 1020 CD2 TYR A 63 5.562 -10.508 4.539 1.00 0.00 C ATOM 1021 CE1 TYR A 63 7.441 -8.523 5.185 1.00 0.00 C ATOM 1022 CE2 TYR A 63 6.308 -10.611 5.718 1.00 0.00 C ATOM 1023 CZ TYR A 63 7.255 -9.622 6.045 1.00 0.00 C ATOM 1024 OH TYR A 63 7.970 -9.713 7.202 1.00 0.00 O ATOM 0 H TYR A 63 6.531 -10.780 0.856 1.00 0.00 H new ATOM 0 HA TYR A 63 4.188 -9.180 0.552 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.462 -8.040 2.783 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.833 -9.673 2.885 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.866 -7.604 3.328 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.821 -11.257 4.301 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.146 -7.747 5.443 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.157 -11.452 6.379 1.00 0.00 H new ATOM 0 HH TYR A 63 7.719 -10.532 7.678 1.00 0.00 H new ATOM 1034 N LEU A 64 5.712 -7.012 0.759 1.00 0.00 N ATOM 1035 CA LEU A 64 6.547 -5.913 0.293 1.00 0.00 C ATOM 1036 C LEU A 64 5.921 -4.606 0.777 1.00 0.00 C ATOM 1037 O LEU A 64 4.698 -4.500 0.876 1.00 0.00 O ATOM 1038 CB LEU A 64 6.792 -5.968 -1.236 1.00 0.00 C ATOM 1039 CG LEU A 64 5.580 -5.655 -2.132 1.00 0.00 C ATOM 1040 CD1 LEU A 64 5.852 -5.906 -3.624 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.397 -6.547 -1.778 1.00 0.00 C ATOM 0 H LEU A 64 4.778 -6.718 1.044 1.00 0.00 H new ATOM 0 HA LEU A 64 7.548 -5.993 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.589 -5.266 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.156 -6.964 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 64 5.372 -4.599 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.959 -5.667 -4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.678 -5.276 -3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.112 -6.954 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.553 -6.306 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.675 -7.592 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.115 -6.382 -0.738 1.00 0.00 H new ATOM 1053 N LEU A 65 6.768 -3.644 1.149 1.00 0.00 N ATOM 1054 CA LEU A 65 6.376 -2.383 1.747 1.00 0.00 C ATOM 1055 C LEU A 65 6.421 -1.339 0.630 1.00 0.00 C ATOM 1056 O LEU A 65 7.425 -1.246 -0.075 1.00 0.00 O ATOM 1057 CB LEU A 65 7.356 -2.087 2.897 1.00 0.00 C ATOM 1058 CG LEU A 65 6.696 -1.511 4.153 1.00 0.00 C ATOM 1059 CD1 LEU A 65 7.746 -1.421 5.265 1.00 0.00 C ATOM 1060 CD2 LEU A 65 6.110 -0.122 3.919 1.00 0.00 C ATOM 0 H LEU A 65 7.778 -3.732 1.035 1.00 0.00 H new ATOM 0 HA LEU A 65 5.372 -2.388 2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.875 -3.008 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.112 -1.386 2.544 1.00 0.00 H new ATOM 0 HG LEU A 65 5.877 -2.174 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.288 -1.012 6.166 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.138 -2.416 5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.560 -0.771 4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.654 0.241 4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.903 0.561 3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.354 -0.173 3.136 1.00 0.00 H new ATOM 1072 N TYR A 66 5.329 -0.585 0.447 1.00 0.00 N ATOM 1073 CA TYR A 66 5.171 0.363 -0.649 1.00 0.00 C ATOM 1074 C TYR A 66 4.874 1.742 -0.066 1.00 0.00 C ATOM 1075 O TYR A 66 3.748 2.003 0.360 1.00 0.00 O ATOM 1076 CB TYR A 66 4.038 -0.084 -1.589 1.00 0.00 C ATOM 1077 CG TYR A 66 3.991 -1.546 -2.005 1.00 0.00 C ATOM 1078 CD1 TYR A 66 3.393 -2.479 -1.135 1.00 0.00 C ATOM 1079 CD2 TYR A 66 4.176 -1.894 -3.358 1.00 0.00 C ATOM 1080 CE1 TYR A 66 2.801 -3.644 -1.643 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.623 -3.084 -3.860 1.00 0.00 C ATOM 1082 CZ TYR A 66 2.861 -3.910 -3.019 1.00 0.00 C ATOM 1083 OH TYR A 66 2.182 -4.970 -3.538 1.00 0.00 O ATOM 0 H TYR A 66 4.522 -0.622 1.069 1.00 0.00 H new ATOM 0 HA TYR A 66 6.090 0.405 -1.233 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.090 0.157 -1.108 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.098 0.519 -2.495 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.391 -2.296 -0.071 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.743 -1.246 -4.009 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.301 -4.333 -0.978 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.784 -3.363 -4.891 1.00 0.00 H new ATOM 0 HH TYR A 66 1.921 -4.771 -4.461 1.00 0.00 H new ATOM 1093 N TYR A 67 5.903 2.594 0.004 1.00 0.00 N ATOM 1094 CA TYR A 67 5.855 3.792 0.824 1.00 0.00 C ATOM 1095 C TYR A 67 6.365 5.011 0.087 1.00 0.00 C ATOM 1096 O TYR A 67 7.256 4.914 -0.747 1.00 0.00 O ATOM 1097 CB TYR A 67 6.647 3.586 2.112 1.00 0.00 C ATOM 1098 CG TYR A 67 8.031 2.983 1.998 1.00 0.00 C ATOM 1099 CD1 TYR A 67 8.194 1.607 1.754 1.00 0.00 C ATOM 1100 CD2 TYR A 67 9.149 3.762 2.332 1.00 0.00 C ATOM 1101 CE1 TYR A 67 9.462 1.014 1.859 1.00 0.00 C ATOM 1102 CE2 TYR A 67 10.403 3.158 2.510 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.567 1.784 2.262 1.00 0.00 C ATOM 1104 OH TYR A 67 11.794 1.205 2.394 1.00 0.00 O ATOM 0 H TYR A 67 6.779 2.468 -0.503 1.00 0.00 H new ATOM 0 HA TYR A 67 4.808 3.973 1.068 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.742 4.553 2.606 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.057 2.949 2.770 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.339 1.004 1.485 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.044 4.830 2.453 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.589 -0.034 1.630 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.244 3.750 2.838 1.00 0.00 H new ATOM 0 HH TYR A 67 12.445 1.880 2.679 1.00 0.00 H new ATOM 1114 N THR A 68 5.764 6.152 0.411 1.00 0.00 N ATOM 1115 CA THR A 68 5.956 7.394 -0.333 1.00 0.00 C ATOM 1116 C THR A 68 5.935 8.599 0.604 1.00 0.00 C ATOM 1117 O THR A 68 5.248 8.577 1.625 1.00 0.00 O ATOM 1118 CB THR A 68 4.897 7.523 -1.437 1.00 0.00 C ATOM 1119 OG1 THR A 68 5.275 8.564 -2.315 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.491 7.809 -0.902 1.00 0.00 C ATOM 0 H THR A 68 5.126 6.242 1.202 1.00 0.00 H new ATOM 0 HA THR A 68 6.937 7.367 -0.808 1.00 0.00 H new ATOM 0 HB THR A 68 4.852 6.562 -1.949 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.664 9.322 -2.206 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.793 7.888 -1.736 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.180 6.997 -0.244 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.497 8.746 -0.345 1.00 0.00 H new ATOM 1128 N GLU A 69 6.661 9.659 0.236 1.00 0.00 N ATOM 1129 CA GLU A 69 6.726 10.893 0.999 1.00 0.00 C ATOM 1130 C GLU A 69 5.481 11.737 0.688 1.00 0.00 C ATOM 1131 O GLU A 69 5.560 12.722 -0.045 1.00 0.00 O ATOM 1132 CB GLU A 69 8.042 11.606 0.665 1.00 0.00 C ATOM 1133 CG GLU A 69 8.348 12.703 1.688 1.00 0.00 C ATOM 1134 CD GLU A 69 9.526 13.569 1.261 1.00 0.00 C ATOM 1135 OE1 GLU A 69 10.659 13.043 1.298 1.00 0.00 O ATOM 1136 OE2 GLU A 69 9.273 14.742 0.907 1.00 0.00 O ATOM 0 H GLU A 69 7.225 9.677 -0.613 1.00 0.00 H new ATOM 0 HA GLU A 69 6.723 10.706 2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.857 10.883 0.648 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.981 12.041 -0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.467 13.330 1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.564 12.247 2.654 1.00 0.00 H new ATOM 1143 N PHE A 70 4.314 11.323 1.204 1.00 0.00 N ATOM 1144 CA PHE A 70 3.036 11.914 0.824 1.00 0.00 C ATOM 1145 C PHE A 70 2.867 13.300 1.434 1.00 0.00 C ATOM 1146 O PHE A 70 3.165 13.504 2.606 1.00 0.00 O ATOM 1147 CB PHE A 70 1.839 11.030 1.205 1.00 0.00 C ATOM 1148 CG PHE A 70 1.309 11.220 2.609 1.00 0.00 C ATOM 1149 CD1 PHE A 70 2.069 10.739 3.676 1.00 0.00 C ATOM 1150 CD2 PHE A 70 0.135 11.955 2.872 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.562 10.772 4.980 1.00 0.00 C ATOM 1152 CE2 PHE A 70 -0.213 12.225 4.204 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.472 11.600 5.260 1.00 0.00 C ATOM 0 H PHE A 70 4.237 10.574 1.892 1.00 0.00 H new ATOM 0 HA PHE A 70 3.053 11.999 -0.263 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.029 11.222 0.501 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.127 9.986 1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.055 10.338 3.494 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.487 12.305 2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.006 10.167 5.757 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.013 12.918 4.419 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.158 11.759 6.281 1.00 0.00 H new ATOM 1163 N THR A 71 2.351 14.232 0.636 1.00 0.00 N ATOM 1164 CA THR A 71 2.109 15.608 1.040 1.00 0.00 C ATOM 1165 C THR A 71 0.595 15.823 1.134 1.00 0.00 C ATOM 1166 O THR A 71 -0.044 15.998 0.097 1.00 0.00 O ATOM 1167 CB THR A 71 2.754 16.572 0.030 1.00 0.00 C ATOM 1168 OG1 THR A 71 4.077 16.174 -0.278 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.757 18.002 0.587 1.00 0.00 C ATOM 0 H THR A 71 2.085 14.044 -0.330 1.00 0.00 H new ATOM 0 HA THR A 71 2.558 15.808 2.013 1.00 0.00 H new ATOM 0 HB THR A 71 2.163 16.545 -0.886 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.548 15.938 0.548 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.216 18.674 -0.138 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.732 18.320 0.778 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.325 18.029 1.517 1.00 0.00 H new ATOM 1177 N PRO A 72 -0.006 15.802 2.334 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.435 16.013 2.477 1.00 0.00 C ATOM 1179 C PRO A 72 -1.769 17.462 2.141 1.00 0.00 C ATOM 1180 O PRO A 72 -1.434 18.360 2.908 1.00 0.00 O ATOM 1181 CB PRO A 72 -1.774 15.697 3.934 1.00 0.00 C ATOM 1182 CG PRO A 72 -0.447 15.889 4.674 1.00 0.00 C ATOM 1183 CD PRO A 72 0.634 15.623 3.627 1.00 0.00 C ATOM 0 HA PRO A 72 -2.012 15.378 1.804 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.545 16.365 4.318 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.149 14.680 4.045 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.364 16.897 5.079 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.361 15.200 5.514 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.471 16.311 3.747 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.034 14.614 3.728 1.00 0.00 H new ATOM 1191 N THR A 73 -2.457 17.688 1.019 1.00 0.00 N ATOM 1192 CA THR A 73 -3.168 18.938 0.803 1.00 0.00 C ATOM 1193 C THR A 73 -4.492 18.848 1.568 1.00 0.00 C ATOM 1194 O THR A 73 -4.842 17.794 2.102 1.00 0.00 O ATOM 1195 CB THR A 73 -3.387 19.197 -0.698 1.00 0.00 C ATOM 1196 OG1 THR A 73 -4.455 18.413 -1.177 1.00 0.00 O ATOM 1197 CG2 THR A 73 -2.128 18.938 -1.534 1.00 0.00 C ATOM 0 H THR A 73 -2.533 17.020 0.252 1.00 0.00 H new ATOM 0 HA THR A 73 -2.585 19.782 1.172 1.00 0.00 H new ATOM 0 HB THR A 73 -3.630 20.254 -0.805 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.215 18.029 -2.046 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.341 19.137 -2.584 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.326 19.594 -1.196 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.821 17.899 -1.417 1.00 0.00 H new ATOM 1205 N GLU A 74 -5.251 19.945 1.604 1.00 0.00 N ATOM 1206 CA GLU A 74 -6.555 19.965 2.248 1.00 0.00 C ATOM 1207 C GLU A 74 -7.563 19.051 1.528 1.00 0.00 C ATOM 1208 O GLU A 74 -8.507 18.578 2.157 1.00 0.00 O ATOM 1209 CB GLU A 74 -7.019 21.425 2.349 1.00 0.00 C ATOM 1210 CG GLU A 74 -8.268 21.609 3.218 1.00 0.00 C ATOM 1211 CD GLU A 74 -8.664 23.079 3.283 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -8.009 23.816 4.050 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -9.599 23.446 2.538 1.00 0.00 O ATOM 0 H GLU A 74 -4.977 20.836 1.189 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.483 19.555 3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.209 22.028 2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.224 21.803 1.347 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.091 21.023 2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.077 21.233 4.223 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.370 18.804 0.223 1.00 0.00 N ATOM 1221 CA LYS A 75 -8.301 18.064 -0.626 1.00 0.00 C ATOM 1222 C LYS A 75 -7.811 16.644 -0.952 1.00 0.00 C ATOM 1223 O LYS A 75 -8.635 15.754 -1.155 1.00 0.00 O ATOM 1224 CB LYS A 75 -8.559 18.859 -1.916 1.00 0.00 C ATOM 1225 CG LYS A 75 -9.504 20.059 -1.731 1.00 0.00 C ATOM 1226 CD LYS A 75 -8.961 21.162 -0.814 1.00 0.00 C ATOM 1227 CE LYS A 75 -9.674 22.491 -1.087 1.00 0.00 C ATOM 1228 NZ LYS A 75 -9.188 23.565 -0.203 1.00 0.00 N ATOM 0 H LYS A 75 -6.541 19.123 -0.278 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.232 17.946 -0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.607 19.216 -2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.981 18.189 -2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.719 20.490 -2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.450 19.701 -1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.100 20.876 0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.889 21.279 -0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.520 22.779 -2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.747 22.363 -0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.763 24.420 -0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.264 23.260 0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.194 23.775 -0.426 1.00 0.00 H new ATOM 1242 N ASP A 76 -6.492 16.427 -1.031 1.00 0.00 N ATOM 1243 CA ASP A 76 -5.915 15.150 -1.451 1.00 0.00 C ATOM 1244 C ASP A 76 -5.955 14.150 -0.299 1.00 0.00 C ATOM 1245 O ASP A 76 -5.108 14.204 0.593 1.00 0.00 O ATOM 1246 CB ASP A 76 -4.473 15.322 -1.954 1.00 0.00 C ATOM 1247 CG ASP A 76 -4.415 15.876 -3.373 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -4.745 15.095 -4.293 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -4.025 17.054 -3.522 1.00 0.00 O ATOM 0 H ASP A 76 -5.795 17.137 -0.804 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.514 14.769 -2.278 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.934 15.991 -1.283 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.962 14.360 -1.921 1.00 0.00 H new ATOM 1254 N GLU A 77 -6.908 13.211 -0.355 1.00 0.00 N ATOM 1255 CA GLU A 77 -6.933 12.045 0.517 1.00 0.00 C ATOM 1256 C GLU A 77 -6.171 10.932 -0.201 1.00 0.00 C ATOM 1257 O GLU A 77 -6.608 10.469 -1.254 1.00 0.00 O ATOM 1258 CB GLU A 77 -8.379 11.632 0.831 1.00 0.00 C ATOM 1259 CG GLU A 77 -8.413 10.479 1.846 1.00 0.00 C ATOM 1260 CD GLU A 77 -9.838 10.033 2.167 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -10.538 9.608 1.222 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -10.206 10.087 3.361 1.00 0.00 O ATOM 0 H GLU A 77 -7.686 13.246 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.461 12.263 1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.927 12.487 1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.882 11.328 -0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.850 9.633 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.917 10.792 2.765 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.025 10.522 0.352 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.196 9.485 -0.240 1.00 0.00 C ATOM 1271 C TYR A 78 -4.784 8.108 0.071 1.00 0.00 C ATOM 1272 O TYR A 78 -5.408 7.906 1.112 1.00 0.00 O ATOM 1273 CB TYR A 78 -2.735 9.602 0.221 1.00 0.00 C ATOM 1274 CG TYR A 78 -1.963 10.780 -0.346 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -2.334 12.098 -0.023 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -0.834 10.560 -1.157 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -1.641 13.185 -0.582 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.099 11.653 -1.657 1.00 0.00 C ATOM 1279 CZ TYR A 78 -0.502 12.966 -1.373 1.00 0.00 C ATOM 1280 OH TYR A 78 0.207 14.019 -1.871 1.00 0.00 O ATOM 0 H TYR A 78 -4.652 10.904 1.222 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.191 9.617 -1.322 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.720 9.670 1.309 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.213 8.684 -0.048 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.154 12.275 0.657 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.531 9.552 -1.396 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.986 14.193 -0.403 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.779 11.479 -2.262 1.00 0.00 H new ATOM 0 HH TYR A 78 0.184 14.761 -1.231 1.00 0.00 H new ATOM 1290 N ALA A 79 -4.588 7.170 -0.859 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.107 5.813 -0.795 1.00 0.00 C ATOM 1292 C ALA A 79 -4.158 4.832 -1.477 1.00 0.00 C ATOM 1293 O ALA A 79 -3.175 5.239 -2.095 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.498 5.769 -1.441 1.00 0.00 C ATOM 0 H ALA A 79 -4.044 7.346 -1.704 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.190 5.513 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.889 4.753 -1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.169 6.441 -0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.426 6.082 -2.483 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.462 3.535 -1.343 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.684 2.431 -1.886 1.00 0.00 C ATOM 1302 C CYS A 80 -4.616 1.583 -2.751 1.00 0.00 C ATOM 1303 O CYS A 80 -5.626 1.086 -2.254 1.00 0.00 O ATOM 1304 CB CYS A 80 -3.119 1.581 -0.734 1.00 0.00 C ATOM 1305 SG CYS A 80 -2.476 2.479 0.709 1.00 0.00 S ATOM 0 H CYS A 80 -5.288 3.222 -0.834 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.851 2.805 -2.481 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.905 0.907 -0.392 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.317 0.959 -1.132 1.00 0.00 H new ATOM 1310 N ARG A 81 -4.278 1.377 -4.029 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.883 0.295 -4.797 1.00 0.00 C ATOM 1312 C ARG A 81 -4.377 -1.017 -4.194 1.00 0.00 C ATOM 1313 O ARG A 81 -3.199 -1.106 -3.862 1.00 0.00 O ATOM 1314 CB ARG A 81 -4.471 0.418 -6.268 1.00 0.00 C ATOM 1315 CG ARG A 81 -4.996 -0.734 -7.137 1.00 0.00 C ATOM 1316 CD ARG A 81 -4.325 -0.713 -8.513 1.00 0.00 C ATOM 1317 NE ARG A 81 -4.774 -1.843 -9.334 1.00 0.00 N ATOM 1318 CZ ARG A 81 -4.079 -2.384 -10.349 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -2.930 -1.844 -10.779 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -4.529 -3.499 -10.938 1.00 0.00 N ATOM 0 H ARG A 81 -3.599 1.938 -4.543 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.972 0.333 -4.755 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.841 1.363 -6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.383 0.449 -6.334 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.802 -1.687 -6.645 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.077 -0.649 -7.251 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.556 0.224 -9.020 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.242 -0.753 -8.394 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.684 -2.249 -9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.564 -1.003 -10.334 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.422 -2.275 -11.552 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.394 -3.932 -10.616 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.007 -3.915 -11.709 1.00 0.00 H new ATOM 1334 N VAL A 82 -5.237 -2.029 -4.038 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.833 -3.349 -3.590 1.00 0.00 C ATOM 1336 C VAL A 82 -5.406 -4.360 -4.581 1.00 0.00 C ATOM 1337 O VAL A 82 -6.610 -4.615 -4.574 1.00 0.00 O ATOM 1338 CB VAL A 82 -5.309 -3.589 -2.147 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -4.723 -4.907 -1.638 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -4.862 -2.457 -1.212 1.00 0.00 C ATOM 0 H VAL A 82 -6.237 -1.946 -4.222 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.748 -3.452 -3.568 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.398 -3.624 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.057 -5.083 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.059 -5.725 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.635 -4.854 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.216 -2.659 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.774 -2.395 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.279 -1.512 -1.560 1.00 0.00 H new ATOM 1350 N ASN A 83 -4.544 -4.907 -5.448 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.929 -5.861 -6.477 1.00 0.00 C ATOM 1352 C ASN A 83 -3.883 -6.980 -6.560 1.00 0.00 C ATOM 1353 O ASN A 83 -3.018 -6.955 -7.434 1.00 0.00 O ATOM 1354 CB ASN A 83 -5.077 -5.133 -7.819 1.00 0.00 C ATOM 1355 CG ASN A 83 -5.676 -6.047 -8.887 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -5.065 -6.266 -9.930 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -6.875 -6.580 -8.640 1.00 0.00 N ATOM 0 H ASN A 83 -3.547 -4.691 -5.448 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.889 -6.313 -6.227 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.712 -4.256 -7.691 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.102 -4.775 -8.150 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.313 -7.192 -9.329 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.353 -6.376 -7.762 1.00 0.00 H new ATOM 1364 N HIS A 84 -3.961 -7.972 -5.662 1.00 0.00 N ATOM 1365 CA HIS A 84 -3.176 -9.201 -5.761 1.00 0.00 C ATOM 1366 C HIS A 84 -3.773 -10.046 -6.892 1.00 0.00 C ATOM 1367 O HIS A 84 -4.922 -9.833 -7.277 1.00 0.00 O ATOM 1368 CB HIS A 84 -3.239 -9.942 -4.422 1.00 0.00 C ATOM 1369 CG HIS A 84 -2.489 -11.249 -4.395 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -3.161 -12.468 -4.443 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -1.146 -11.497 -4.290 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -2.211 -13.396 -4.316 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -0.980 -12.864 -4.243 1.00 0.00 N ATOM 0 H HIS A 84 -4.573 -7.940 -4.846 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.129 -8.991 -5.982 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.840 -9.293 -3.643 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.284 -10.132 -4.175 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.361 -10.756 -4.251 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.410 -14.457 -4.276 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.098 -13.371 -4.168 1.00 0.00 H new ATOM 1381 N VAL A 85 -3.014 -11.012 -7.419 1.00 0.00 N ATOM 1382 CA VAL A 85 -3.493 -11.889 -8.485 1.00 0.00 C ATOM 1383 C VAL A 85 -4.816 -12.579 -8.120 1.00 0.00 C ATOM 1384 O VAL A 85 -5.689 -12.715 -8.976 1.00 0.00 O ATOM 1385 CB VAL A 85 -2.397 -12.879 -8.925 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -1.944 -13.843 -7.820 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -2.845 -13.672 -10.160 1.00 0.00 C ATOM 0 H VAL A 85 -2.058 -11.205 -7.120 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.719 -11.265 -9.350 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.531 -12.264 -9.170 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.172 -14.506 -8.210 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.544 -13.273 -6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.795 -14.435 -7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.056 -14.365 -10.453 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.750 -14.232 -9.924 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.047 -12.984 -10.981 1.00 0.00 H new ATOM 1397 N THR A 86 -4.979 -12.991 -6.855 1.00 0.00 N ATOM 1398 CA THR A 86 -6.176 -13.688 -6.395 1.00 0.00 C ATOM 1399 C THR A 86 -7.353 -12.730 -6.152 1.00 0.00 C ATOM 1400 O THR A 86 -8.500 -13.173 -6.168 1.00 0.00 O ATOM 1401 CB THR A 86 -5.837 -14.589 -5.196 1.00 0.00 C ATOM 1402 OG1 THR A 86 -6.654 -15.741 -5.202 1.00 0.00 O ATOM 1403 CG2 THR A 86 -6.004 -13.887 -3.850 1.00 0.00 C ATOM 0 H THR A 86 -4.281 -12.848 -6.125 1.00 0.00 H new ATOM 0 HA THR A 86 -6.527 -14.346 -7.190 1.00 0.00 H new ATOM 0 HB THR A 86 -4.786 -14.855 -5.309 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.560 -15.498 -5.487 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.749 -14.577 -3.046 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.344 -13.020 -3.807 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.038 -13.562 -3.735 1.00 0.00 H new ATOM 1411 N LEU A 87 -7.092 -11.428 -5.954 1.00 0.00 N ATOM 1412 CA LEU A 87 -8.144 -10.423 -5.869 1.00 0.00 C ATOM 1413 C LEU A 87 -8.705 -10.173 -7.266 1.00 0.00 C ATOM 1414 O LEU A 87 -8.074 -9.495 -8.076 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.599 -9.116 -5.271 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.876 -8.976 -3.770 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -7.226 -10.095 -2.952 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -7.352 -7.617 -3.292 1.00 0.00 C ATOM 0 H LEU A 87 -6.150 -11.052 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.937 -10.786 -5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.524 -9.067 -5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.044 -8.271 -5.796 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.953 -9.049 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.451 -9.951 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.617 -11.059 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.146 -10.073 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.544 -7.508 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.279 -7.556 -3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.859 -6.820 -3.836 1.00 0.00 H new ATOM 1430 N SER A 88 -9.922 -10.665 -7.527 1.00 0.00 N ATOM 1431 CA SER A 88 -10.649 -10.402 -8.763 1.00 0.00 C ATOM 1432 C SER A 88 -11.332 -9.025 -8.718 1.00 0.00 C ATOM 1433 O SER A 88 -12.471 -8.885 -9.158 1.00 0.00 O ATOM 1434 CB SER A 88 -11.658 -11.532 -9.007 1.00 0.00 C ATOM 1435 OG SER A 88 -11.012 -12.786 -8.944 1.00 0.00 O ATOM 0 H SER A 88 -10.430 -11.263 -6.875 1.00 0.00 H new ATOM 0 HA SER A 88 -9.948 -10.377 -9.597 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.453 -11.487 -8.262 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.128 -11.405 -9.982 1.00 0.00 H new ATOM 0 HG SER A 88 -11.666 -13.499 -9.099 1.00 0.00 H new ATOM 1441 N GLN A 89 -10.634 -8.011 -8.186 1.00 0.00 N ATOM 1442 CA GLN A 89 -11.089 -6.640 -8.071 1.00 0.00 C ATOM 1443 C GLN A 89 -9.910 -5.775 -7.603 1.00 0.00 C ATOM 1444 O GLN A 89 -9.173 -6.195 -6.712 1.00 0.00 O ATOM 1445 CB GLN A 89 -12.264 -6.537 -7.088 1.00 0.00 C ATOM 1446 CG GLN A 89 -12.036 -7.292 -5.771 1.00 0.00 C ATOM 1447 CD GLN A 89 -13.165 -7.034 -4.779 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -12.960 -6.386 -3.755 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -14.362 -7.543 -5.079 1.00 0.00 N ATOM 0 H GLN A 89 -9.695 -8.143 -7.810 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.443 -6.287 -9.039 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.449 -5.486 -6.866 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.163 -6.925 -7.568 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.962 -8.361 -5.971 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.087 -6.984 -5.333 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.489 -8.075 -5.940 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.150 -7.400 -4.447 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.705 -4.575 -8.169 1.00 0.00 N ATOM 1459 CA PRO A 90 -8.729 -3.631 -7.659 1.00 0.00 C ATOM 1460 C PRO A 90 -9.368 -2.888 -6.484 1.00 0.00 C ATOM 1461 O PRO A 90 -10.073 -1.898 -6.673 1.00 0.00 O ATOM 1462 CB PRO A 90 -8.416 -2.719 -8.848 1.00 0.00 C ATOM 1463 CG PRO A 90 -9.736 -2.679 -9.625 1.00 0.00 C ATOM 1464 CD PRO A 90 -10.366 -4.048 -9.352 1.00 0.00 C ATOM 0 HA PRO A 90 -7.808 -4.078 -7.285 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.112 -1.724 -8.522 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.604 -3.117 -9.456 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.378 -1.868 -9.281 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.568 -2.522 -10.690 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.440 -3.956 -9.188 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.229 -4.715 -10.203 1.00 0.00 H new ATOM 1472 N LYS A 91 -9.155 -3.399 -5.267 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.815 -2.912 -4.068 1.00 0.00 C ATOM 1474 C LYS A 91 -9.049 -1.696 -3.552 1.00 0.00 C ATOM 1475 O LYS A 91 -7.938 -1.839 -3.044 1.00 0.00 O ATOM 1476 CB LYS A 91 -9.880 -4.050 -3.041 1.00 0.00 C ATOM 1477 CG LYS A 91 -10.810 -3.708 -1.870 1.00 0.00 C ATOM 1478 CD LYS A 91 -10.848 -4.885 -0.886 1.00 0.00 C ATOM 1479 CE LYS A 91 -11.930 -4.715 0.188 1.00 0.00 C ATOM 1480 NZ LYS A 91 -11.672 -3.563 1.070 1.00 0.00 N ATOM 0 H LYS A 91 -8.511 -4.171 -5.093 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.839 -2.598 -4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.229 -4.960 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.879 -4.255 -2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.459 -2.808 -1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.814 -3.496 -2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.028 -5.809 -1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.875 -4.984 -0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.900 -4.590 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.987 -5.623 0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.431 -3.491 1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.760 -3.692 1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.644 -2.691 0.503 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.618 -0.495 -3.710 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.927 0.745 -3.395 1.00 0.00 C ATOM 1496 C ILE A 92 -9.059 1.040 -1.897 1.00 0.00 C ATOM 1497 O ILE A 92 -9.856 1.880 -1.482 1.00 0.00 O ATOM 1498 CB ILE A 92 -9.417 1.894 -4.297 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.612 1.485 -5.770 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -8.414 3.051 -4.201 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -8.385 0.835 -6.419 1.00 0.00 C ATOM 0 H ILE A 92 -10.567 -0.364 -4.059 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.863 0.642 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.402 2.193 -3.938 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.450 0.791 -5.833 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.886 2.369 -6.346 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.746 3.874 -4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.349 3.392 -3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.433 2.711 -4.533 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.613 0.580 -7.454 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.547 1.532 -6.393 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.121 -0.070 -5.872 1.00 0.00 H new ATOM 1513 N VAL A 93 -8.269 0.328 -1.087 1.00 0.00 N ATOM 1514 CA VAL A 93 -8.233 0.486 0.358 1.00 0.00 C ATOM 1515 C VAL A 93 -7.511 1.792 0.691 1.00 0.00 C ATOM 1516 O VAL A 93 -6.298 1.893 0.504 1.00 0.00 O ATOM 1517 CB VAL A 93 -7.534 -0.723 1.005 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -7.568 -0.593 2.532 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -8.207 -2.043 0.607 1.00 0.00 C ATOM 0 H VAL A 93 -7.627 -0.386 -1.431 1.00 0.00 H new ATOM 0 HA VAL A 93 -9.246 0.531 0.758 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.504 -0.734 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.071 -1.453 2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.054 0.320 2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.603 -0.554 2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.687 -2.874 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.248 -2.033 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -8.166 -2.161 -0.476 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.250 2.796 1.177 1.00 0.00 N ATOM 1530 CA LYS A 94 -7.667 4.091 1.486 1.00 0.00 C ATOM 1531 C LYS A 94 -6.928 4.096 2.825 1.00 0.00 C ATOM 1532 O LYS A 94 -7.140 3.230 3.673 1.00 0.00 O ATOM 1533 CB LYS A 94 -8.703 5.215 1.379 1.00 0.00 C ATOM 1534 CG LYS A 94 -9.790 5.189 2.460 1.00 0.00 C ATOM 1535 CD LYS A 94 -10.493 6.550 2.450 1.00 0.00 C ATOM 1536 CE LYS A 94 -11.542 6.676 3.555 1.00 0.00 C ATOM 1537 NZ LYS A 94 -12.119 8.032 3.567 1.00 0.00 N ATOM 0 H LYS A 94 -9.251 2.729 1.362 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.908 4.288 0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.186 6.173 1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.181 5.158 0.401 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.504 4.389 2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.351 4.993 3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.751 7.339 2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.970 6.702 1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.331 5.940 3.401 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.088 6.459 4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.767 8.127 4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.356 8.733 3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.642 8.194 2.683 1.00 0.00 H new ATOM 1551 N TRP A 95 -6.068 5.104 2.997 1.00 0.00 N ATOM 1552 CA TRP A 95 -5.357 5.396 4.229 1.00 0.00 C ATOM 1553 C TRP A 95 -6.243 6.273 5.117 1.00 0.00 C ATOM 1554 O TRP A 95 -7.083 7.020 4.615 1.00 0.00 O ATOM 1555 CB TRP A 95 -4.048 6.107 3.856 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.294 6.799 4.947 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -2.746 6.247 6.054 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -3.026 8.224 5.046 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.186 7.233 6.842 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.411 8.485 6.302 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.227 9.317 4.180 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -2.127 9.790 6.731 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -2.890 10.620 4.576 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.440 10.863 5.882 1.00 0.00 C ATOM 0 H TRP A 95 -5.845 5.760 2.248 1.00 0.00 H new ATOM 0 HA TRP A 95 -5.122 4.488 4.785 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.383 5.370 3.405 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.275 6.844 3.086 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.746 5.192 6.287 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.674 7.060 7.707 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.646 9.150 3.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.676 9.966 7.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.977 11.437 3.875 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.334 11.878 6.235 1.00 0.00 H new ATOM 1575 N ASP A 96 -6.038 6.182 6.436 1.00 0.00 N ATOM 1576 CA ASP A 96 -6.634 7.060 7.434 1.00 0.00 C ATOM 1577 C ASP A 96 -5.530 7.511 8.390 1.00 0.00 C ATOM 1578 O ASP A 96 -4.490 6.862 8.481 1.00 0.00 O ATOM 1579 CB ASP A 96 -7.768 6.330 8.170 1.00 0.00 C ATOM 1580 CG ASP A 96 -8.471 7.215 9.199 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -8.627 8.422 8.911 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -8.841 6.669 10.261 1.00 0.00 O ATOM 0 H ASP A 96 -5.432 5.471 6.845 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.075 7.938 6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.498 5.976 7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.363 5.450 8.670 1.00 0.00 H new ATOM 1587 N ARG A 97 -5.752 8.639 9.073 1.00 0.00 N ATOM 1588 CA ARG A 97 -4.783 9.318 9.923 1.00 0.00 C ATOM 1589 C ARG A 97 -4.570 8.520 11.215 1.00 0.00 C ATOM 1590 O ARG A 97 -5.057 8.894 12.281 1.00 0.00 O ATOM 1591 CB ARG A 97 -5.280 10.752 10.166 1.00 0.00 C ATOM 1592 CG ARG A 97 -4.194 11.666 10.745 1.00 0.00 C ATOM 1593 CD ARG A 97 -4.745 13.088 10.894 1.00 0.00 C ATOM 1594 NE ARG A 97 -3.678 14.049 11.204 1.00 0.00 N ATOM 1595 CZ ARG A 97 -3.810 15.387 11.177 1.00 0.00 C ATOM 1596 NH1 ARG A 97 -5.006 15.956 10.971 1.00 0.00 N ATOM 1597 NH2 ARG A 97 -2.729 16.159 11.350 1.00 0.00 N ATOM 0 H ARG A 97 -6.651 9.120 9.044 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.806 9.379 9.443 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.639 11.172 9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.129 10.727 10.849 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -3.866 11.289 11.714 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.321 11.670 10.092 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.246 13.384 9.972 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.495 13.108 11.685 1.00 0.00 H new ATOM 0 HE ARG A 97 -2.765 13.672 11.460 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.831 15.373 10.832 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.091 16.972 10.953 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.815 15.731 11.501 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.819 17.175 11.331 1.00 0.00 H new ATOM 1611 N ASP A 98 -3.845 7.404 11.088 1.00 0.00 N ATOM 1612 CA ASP A 98 -3.666 6.381 12.102 1.00 0.00 C ATOM 1613 C ASP A 98 -2.283 5.755 11.900 1.00 0.00 C ATOM 1614 O ASP A 98 -2.144 4.734 11.228 1.00 0.00 O ATOM 1615 CB ASP A 98 -4.800 5.353 11.971 1.00 0.00 C ATOM 1616 CG ASP A 98 -4.690 4.234 13.003 1.00 0.00 C ATOM 1617 OD1 ASP A 98 -4.699 4.568 14.207 1.00 0.00 O ATOM 1618 OD2 ASP A 98 -4.613 3.062 12.571 1.00 0.00 O ATOM 0 H ASP A 98 -3.344 7.186 10.226 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.712 6.792 13.111 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.759 5.857 12.086 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.784 4.923 10.969 1.00 0.00 H new ATOM 1623 N MET A 99 -1.258 6.403 12.464 1.00 0.00 N ATOM 1624 CA MET A 99 0.120 5.930 12.423 1.00 0.00 C ATOM 1625 C MET A 99 0.343 4.799 13.429 1.00 0.00 C ATOM 1626 O MET A 99 -0.185 4.918 14.556 1.00 0.00 O ATOM 1627 CB MET A 99 1.102 7.094 12.631 1.00 0.00 C ATOM 1628 CG MET A 99 1.005 7.806 13.982 1.00 0.00 C ATOM 1629 SD MET A 99 2.125 9.227 14.079 1.00 0.00 S ATOM 1630 CE MET A 99 2.024 9.596 15.847 1.00 0.00 C ATOM 1631 OXT MET A 99 1.048 3.837 13.053 1.00 0.00 O ATOM 0 H MET A 99 -1.369 7.283 12.968 1.00 0.00 H new ATOM 0 HA MET A 99 0.314 5.517 11.433 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.117 6.715 12.512 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.941 7.828 11.841 1.00 0.00 H new ATOM 0 HG2 MET A 99 -0.020 8.140 14.144 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.241 7.103 14.781 1.00 0.00 H new ATOM 0 HE1 MET A 99 2.659 10.451 16.077 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.993 9.829 16.112 1.00 0.00 H new ATOM 0 HE3 MET A 99 2.359 8.731 16.419 1.00 0.00 H new TER 1641 MET A 99