USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 0 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 69 ASN : amide:sc= -8.39! C(o=-39!,f=-40!) USER MOD Set 1.2: A 73 HIS : no HE2:sc= -13.5! C(o=-39!,f=-45!) USER MOD Set 1.3: A 76 HIS : no HD1:sc= -13.1! C(o=-39!,f=-37!) USER MOD Set 1.4: A 99 GLN : amide:sc= -3.79! K(o=-39!,f=-36) USER MOD Set 2.1: A 27 ASN : amide:sc= -7.84! C(o=-27!,f=-27!) USER MOD Set 2.2: A 104 HIS : no HE2:sc= -19.6! C(o=-27!,f=-25!) USER MOD Single : A 10 LYS NZ :NH3+ -159:sc=-0.00231 (180deg=-0.16) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.83) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -2.52! K(o=-2.5!,f=-2) USER MOD Single : A 24 SER OG : rot -166:sc= 0.06 USER MOD Single : A 29 GLN : amide:sc= -4.53! C(o=-4.5!,f=-9.9!) USER MOD Single : A 34 THR OG1 : rot 136:sc= 0.947 USER MOD Single : A 35 CYS SG : rot -66:sc= -3.83! USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 28:sc= 0.0736 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.494 K(o=-0.49,f=-2.5!) USER MOD Single : A 60 ASN : amide:sc= 0.975 K(o=0.97,f=-0.39) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -159:sc= -10.9! (180deg=-13.3!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.851 USER MOD Single : A 95 THR OG1 : rot -150:sc= -1.12 USER MOD Single : A 97 GLN : amide:sc= -0.0377 K(o=-0.038,f=-1.6) USER MOD Single : A 100 ASN : amide:sc= -0.264 K(o=-0.26,f=-2.3!) USER MOD Single : A 101 SER OG : rot -67:sc= 0.499 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.785 X(o=-0.79,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 7 -9.513 -8.104 -4.767 1.00 0.00 N ATOM 49 CA TYR A 7 -8.144 -7.790 -4.392 1.00 0.00 C ATOM 50 C TYR A 7 -8.108 -6.850 -3.186 1.00 0.00 C ATOM 51 O TYR A 7 -7.098 -6.196 -2.934 1.00 0.00 O ATOM 52 CB TYR A 7 -7.531 -7.075 -5.599 1.00 0.00 C ATOM 53 CG TYR A 7 -7.747 -7.801 -6.928 1.00 0.00 C ATOM 54 CD1 TYR A 7 -7.007 -8.926 -7.228 1.00 0.00 C ATOM 55 CD2 TYR A 7 -8.682 -7.330 -7.827 1.00 0.00 C ATOM 56 CE1 TYR A 7 -7.210 -9.609 -8.479 1.00 0.00 C ATOM 57 CE2 TYR A 7 -8.885 -8.013 -9.079 1.00 0.00 C ATOM 58 CZ TYR A 7 -8.139 -9.119 -9.343 1.00 0.00 C ATOM 0 HA TYR A 7 -7.602 -8.696 -4.122 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.957 -6.074 -5.670 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -6.461 -6.955 -5.432 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.275 -9.294 -6.524 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -9.261 -6.449 -7.592 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.637 -10.491 -8.726 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.613 -7.655 -9.792 1.00 0.00 H new ATOM 59 N ARG A 8 -9.223 -6.814 -2.471 1.00 0.00 N ATOM 60 CA ARG A 8 -9.332 -5.966 -1.296 1.00 0.00 C ATOM 61 C ARG A 8 -8.623 -6.615 -0.105 1.00 0.00 C ATOM 62 O ARG A 8 -9.072 -7.641 0.405 1.00 0.00 O ATOM 63 CB ARG A 8 -10.797 -5.713 -0.932 1.00 0.00 C ATOM 64 CG ARG A 8 -11.238 -4.317 -1.375 1.00 0.00 C ATOM 65 CD ARG A 8 -12.717 -4.084 -1.062 1.00 0.00 C ATOM 66 NE ARG A 8 -13.524 -4.229 -2.294 1.00 0.00 N ATOM 67 CZ ARG A 8 -13.358 -3.479 -3.393 1.00 0.00 C ATOM 0 H ARG A 8 -10.059 -7.359 -2.683 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.858 -5.013 -1.531 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -11.428 -6.465 -1.405 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.931 -5.816 0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.633 -3.564 -0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.066 -4.200 -2.445 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.055 -4.797 -0.310 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.856 -3.088 -0.642 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.252 -4.944 -2.308 1.00 0.00 H new ATOM 68 N ILE A 9 -7.528 -5.991 0.302 1.00 0.00 N ATOM 69 CA ILE A 9 -6.753 -6.495 1.424 1.00 0.00 C ATOM 70 C ILE A 9 -7.284 -5.882 2.721 1.00 0.00 C ATOM 71 O ILE A 9 -6.986 -4.731 3.036 1.00 0.00 O ATOM 72 CB ILE A 9 -5.260 -6.251 1.195 1.00 0.00 C ATOM 73 CG1 ILE A 9 -4.845 -6.675 -0.215 1.00 0.00 C ATOM 74 CG2 ILE A 9 -4.421 -6.943 2.272 1.00 0.00 C ATOM 75 CD1 ILE A 9 -3.343 -6.482 -0.426 1.00 0.00 C ATOM 0 H ILE A 9 -7.159 -5.141 -0.124 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.867 -7.575 1.512 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.072 -5.181 1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.107 -7.721 -0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.397 -6.091 -0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.364 -6.754 2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.693 -6.552 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.608 -8.016 2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.075 -6.791 -1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.088 -5.431 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.794 -7.086 0.296 1.00 0.00 H new ATOM 76 N LYS A 10 -8.061 -6.679 3.440 1.00 0.00 N ATOM 77 CA LYS A 10 -8.636 -6.230 4.696 1.00 0.00 C ATOM 78 C LYS A 10 -7.861 -6.854 5.859 1.00 0.00 C ATOM 79 O LYS A 10 -8.229 -6.679 7.019 1.00 0.00 O ATOM 80 CB LYS A 10 -10.138 -6.521 4.732 1.00 0.00 C ATOM 81 CG LYS A 10 -10.924 -5.288 5.186 1.00 0.00 C ATOM 82 CD LYS A 10 -11.472 -4.515 3.985 1.00 0.00 C ATOM 83 CE LYS A 10 -10.672 -3.234 3.746 1.00 0.00 C ATOM 84 NZ LYS A 10 -10.938 -2.248 4.818 1.00 0.00 N ATOM 0 H LYS A 10 -8.306 -7.633 3.176 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.541 -5.148 4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.476 -6.829 3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.335 -7.352 5.409 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.747 -5.594 5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.279 -4.638 5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.433 -5.143 3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.520 -4.267 4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.607 -3.464 3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.937 -2.808 2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.694 -1.295 4.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.945 -2.277 5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.361 -2.478 5.652 1.00 0.00 H new ATOM 85 N LYS A 11 -6.804 -7.570 5.507 1.00 0.00 N ATOM 86 CA LYS A 11 -5.974 -8.221 6.506 1.00 0.00 C ATOM 87 C LYS A 11 -4.584 -7.581 6.505 1.00 0.00 C ATOM 88 O LYS A 11 -4.168 -6.994 5.507 1.00 0.00 O ATOM 89 CB LYS A 11 -5.954 -9.734 6.282 1.00 0.00 C ATOM 90 CG LYS A 11 -7.115 -10.412 7.014 1.00 0.00 C ATOM 91 CD LYS A 11 -6.662 -10.967 8.366 1.00 0.00 C ATOM 92 CE LYS A 11 -7.817 -10.977 9.368 1.00 0.00 C ATOM 93 NZ LYS A 11 -7.476 -11.810 10.544 1.00 0.00 N ATOM 0 H LYS A 11 -6.503 -7.714 4.543 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.392 -8.074 7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.017 -9.948 5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.008 -10.145 6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.923 -9.696 7.163 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.514 -11.220 6.401 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.278 -11.979 8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.843 -10.362 8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.038 -9.959 9.688 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.717 -11.363 8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.271 -11.806 11.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.288 -12.785 10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.629 -11.424 11.009 1.00 0.00 H new ATOM 94 N ASN A 12 -3.905 -7.715 7.635 1.00 0.00 N ATOM 95 CA ASN A 12 -2.571 -7.156 7.777 1.00 0.00 C ATOM 96 C ASN A 12 -1.550 -8.132 7.190 1.00 0.00 C ATOM 97 O ASN A 12 -0.673 -7.734 6.424 1.00 0.00 O ATOM 98 CB ASN A 12 -2.221 -6.933 9.250 1.00 0.00 C ATOM 99 CG ASN A 12 -1.714 -5.510 9.483 1.00 0.00 C ATOM 100 OD1 ASN A 12 -1.140 -4.876 8.611 1.00 0.00 O ATOM 101 ND2 ASN A 12 -1.957 -5.042 10.704 1.00 0.00 N ATOM 0 H ASN A 12 -4.253 -8.202 8.461 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.547 -6.201 7.253 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.100 -7.115 9.868 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.460 -7.649 9.559 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.658 -4.100 10.958 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.442 -5.625 11.386 1.00 0.00 H new ATOM 102 N ALA A 13 -1.696 -9.393 7.572 1.00 0.00 N ATOM 103 CA ALA A 13 -0.797 -10.429 7.094 1.00 0.00 C ATOM 104 C ALA A 13 -0.640 -10.302 5.578 1.00 0.00 C ATOM 105 O ALA A 13 0.473 -10.370 5.057 1.00 0.00 O ATOM 106 CB ALA A 13 -1.330 -11.801 7.512 1.00 0.00 C ATOM 0 H ALA A 13 -2.424 -9.720 8.207 1.00 0.00 H new ATOM 0 HA ALA A 13 0.191 -10.314 7.539 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.655 -12.578 7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.395 -11.850 8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.320 -11.953 7.082 1.00 0.00 H new ATOM 107 N ASP A 14 -1.770 -10.119 4.910 1.00 0.00 N ATOM 108 CA ASP A 14 -1.772 -9.982 3.464 1.00 0.00 C ATOM 109 C ASP A 14 -0.815 -8.858 3.062 1.00 0.00 C ATOM 110 O ASP A 14 -0.198 -8.914 2.000 1.00 0.00 O ATOM 111 CB ASP A 14 -3.166 -9.624 2.946 1.00 0.00 C ATOM 112 CG ASP A 14 -4.061 -10.821 2.620 1.00 0.00 C ATOM 113 OD1 ASP A 14 -3.610 -11.957 2.885 1.00 0.00 O ATOM 114 OD2 ASP A 14 -5.177 -10.575 2.110 1.00 0.00 O ATOM 0 H ASP A 14 -2.691 -10.062 5.345 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.462 -10.935 3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.667 -9.007 3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.058 -9.015 2.049 1.00 0.00 H new ATOM 115 N PHE A 15 -0.724 -7.862 3.931 1.00 0.00 N ATOM 116 CA PHE A 15 0.146 -6.726 3.680 1.00 0.00 C ATOM 117 C PHE A 15 1.566 -7.001 4.182 1.00 0.00 C ATOM 118 O PHE A 15 2.541 -6.628 3.531 1.00 0.00 O ATOM 119 CB PHE A 15 -0.433 -5.539 4.452 1.00 0.00 C ATOM 120 CG PHE A 15 -0.904 -4.388 3.561 1.00 0.00 C ATOM 121 CD1 PHE A 15 -2.147 -4.420 3.008 1.00 0.00 C ATOM 122 CD2 PHE A 15 -0.081 -3.332 3.322 1.00 0.00 C ATOM 123 CE1 PHE A 15 -2.583 -3.352 2.181 1.00 0.00 C ATOM 124 CE2 PHE A 15 -0.517 -2.264 2.494 1.00 0.00 C ATOM 125 CZ PHE A 15 -1.759 -2.296 1.942 1.00 0.00 C ATOM 0 H PHE A 15 -1.239 -7.818 4.810 1.00 0.00 H new ATOM 0 HA PHE A 15 0.199 -6.528 2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.273 -5.885 5.055 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.322 -5.165 5.143 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.802 -5.258 3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.905 -3.306 3.762 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.569 -3.378 1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.138 -1.427 2.303 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.092 -1.483 1.314 1.00 0.00 H new ATOM 126 N GLN A 16 1.637 -7.653 5.333 1.00 0.00 N ATOM 127 CA GLN A 16 2.920 -7.983 5.929 1.00 0.00 C ATOM 128 C GLN A 16 3.642 -9.037 5.086 1.00 0.00 C ATOM 129 O GLN A 16 4.857 -8.971 4.911 1.00 0.00 O ATOM 130 CB GLN A 16 2.748 -8.459 7.372 1.00 0.00 C ATOM 131 CG GLN A 16 1.576 -7.745 8.049 1.00 0.00 C ATOM 132 CD GLN A 16 1.949 -7.295 9.463 1.00 0.00 C ATOM 133 OE1 GLN A 16 2.070 -6.116 9.755 1.00 0.00 O ATOM 134 NE2 GLN A 16 2.127 -8.296 10.321 1.00 0.00 N ATOM 0 H GLN A 16 0.826 -7.962 5.869 1.00 0.00 H new ATOM 0 HA GLN A 16 3.532 -7.081 5.949 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.579 -9.536 7.386 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.664 -8.273 7.932 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.280 -6.880 7.455 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.715 -8.412 8.091 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.010 -9.261 10.011 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.381 -8.099 11.289 1.00 0.00 H new ATOM 135 N ARG A 17 2.861 -9.983 4.585 1.00 0.00 N ATOM 136 CA ARG A 17 3.411 -11.050 3.765 1.00 0.00 C ATOM 137 C ARG A 17 4.192 -10.464 2.588 1.00 0.00 C ATOM 138 O ARG A 17 5.108 -11.100 2.068 1.00 0.00 O ATOM 139 CB ARG A 17 2.303 -11.960 3.231 1.00 0.00 C ATOM 140 CG ARG A 17 2.299 -13.304 3.961 1.00 0.00 C ATOM 141 CD ARG A 17 0.966 -13.537 4.675 1.00 0.00 C ATOM 142 NE ARG A 17 0.958 -14.873 5.312 1.00 0.00 N ATOM 143 CZ ARG A 17 0.838 -16.025 4.640 1.00 0.00 C ATOM 0 H ARG A 17 1.853 -10.033 4.731 1.00 0.00 H new ATOM 0 HA ARG A 17 4.080 -11.640 4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.336 -11.472 3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.444 -12.123 2.163 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.480 -14.109 3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.113 -13.331 4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.808 -12.765 5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.145 -13.460 3.963 1.00 0.00 H new ATOM 0 HE ARG A 17 1.050 -14.919 6.327 1.00 0.00 H new ATOM 144 N ILE A 18 3.802 -9.258 2.201 1.00 0.00 N ATOM 145 CA ILE A 18 4.455 -8.581 1.093 1.00 0.00 C ATOM 146 C ILE A 18 5.766 -7.961 1.582 1.00 0.00 C ATOM 147 O ILE A 18 6.837 -8.282 1.070 1.00 0.00 O ATOM 148 CB ILE A 18 3.503 -7.573 0.445 1.00 0.00 C ATOM 149 CG1 ILE A 18 2.048 -8.027 0.583 1.00 0.00 C ATOM 150 CG2 ILE A 18 3.888 -7.315 -1.012 1.00 0.00 C ATOM 151 CD1 ILE A 18 1.896 -9.502 0.206 1.00 0.00 C ATOM 0 H ILE A 18 3.043 -8.733 2.635 1.00 0.00 H new ATOM 0 HA ILE A 18 4.711 -9.293 0.309 1.00 0.00 H new ATOM 0 HB ILE A 18 3.596 -6.625 0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.711 -7.873 1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.411 -7.417 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.196 -6.595 -1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.902 -6.916 -1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.841 -8.249 -1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.853 -9.799 0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.211 -9.648 -0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.516 -10.111 0.864 1.00 0.00 H new ATOM 152 N TYR A 19 5.638 -7.084 2.567 1.00 0.00 N ATOM 153 CA TYR A 19 6.799 -6.417 3.131 1.00 0.00 C ATOM 154 C TYR A 19 7.801 -7.432 3.683 1.00 0.00 C ATOM 155 O TYR A 19 8.952 -7.092 3.949 1.00 0.00 O ATOM 156 CB TYR A 19 6.273 -5.559 4.284 1.00 0.00 C ATOM 157 CG TYR A 19 5.734 -4.195 3.850 1.00 0.00 C ATOM 158 CD1 TYR A 19 4.783 -4.115 2.852 1.00 0.00 C ATOM 159 CD2 TYR A 19 6.198 -3.044 4.454 1.00 0.00 C ATOM 160 CE1 TYR A 19 4.275 -2.831 2.444 1.00 0.00 C ATOM 161 CE2 TYR A 19 5.689 -1.760 4.045 1.00 0.00 C ATOM 162 CZ TYR A 19 4.753 -1.718 3.060 1.00 0.00 C ATOM 0 H TYR A 19 4.748 -6.820 2.989 1.00 0.00 H new ATOM 0 HA TYR A 19 7.310 -5.828 2.370 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.481 -6.104 4.797 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.075 -5.408 5.006 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.420 -5.015 2.378 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.943 -3.106 5.234 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.530 -2.754 1.665 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.043 -0.852 4.510 1.00 0.00 H new ATOM 163 N LYS A 20 7.327 -8.660 3.837 1.00 0.00 N ATOM 164 CA LYS A 20 8.167 -9.728 4.351 1.00 0.00 C ATOM 165 C LYS A 20 9.489 -9.747 3.581 1.00 0.00 C ATOM 166 O LYS A 20 10.513 -9.289 4.087 1.00 0.00 O ATOM 167 CB LYS A 20 7.418 -11.061 4.320 1.00 0.00 C ATOM 168 CG LYS A 20 7.929 -12.003 5.412 1.00 0.00 C ATOM 169 CD LYS A 20 6.767 -12.604 6.206 1.00 0.00 C ATOM 170 CE LYS A 20 7.147 -12.792 7.676 1.00 0.00 C ATOM 171 NZ LYS A 20 6.166 -13.667 8.357 1.00 0.00 N ATOM 0 H LYS A 20 6.371 -8.939 3.615 1.00 0.00 H new ATOM 0 HA LYS A 20 8.410 -9.550 5.398 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.351 -10.886 4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.542 -11.529 3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.518 -12.802 4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.592 -11.459 6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.896 -11.953 6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.485 -13.564 5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.143 -13.228 7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.187 -11.823 8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.439 -13.784 9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.221 -13.236 8.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.148 -14.597 7.891 1.00 0.00 H new ATOM 172 N LYS A 21 9.424 -10.282 2.370 1.00 0.00 N ATOM 173 CA LYS A 21 10.603 -10.366 1.525 1.00 0.00 C ATOM 174 C LYS A 21 10.274 -9.809 0.140 1.00 0.00 C ATOM 175 O LYS A 21 11.021 -10.022 -0.813 1.00 0.00 O ATOM 176 CB LYS A 21 11.143 -11.798 1.501 1.00 0.00 C ATOM 177 CG LYS A 21 12.511 -11.879 2.182 1.00 0.00 C ATOM 178 CD LYS A 21 13.638 -11.910 1.148 1.00 0.00 C ATOM 179 CE LYS A 21 14.655 -13.003 1.479 1.00 0.00 C ATOM 180 NZ LYS A 21 14.374 -14.227 0.695 1.00 0.00 N ATOM 0 H LYS A 21 8.573 -10.661 1.954 1.00 0.00 H new ATOM 0 HA LYS A 21 11.408 -9.753 1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.442 -12.463 2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.225 -12.143 0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.643 -11.023 2.843 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.559 -12.773 2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.221 -12.084 0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.136 -10.941 1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.663 -12.648 1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.620 -13.230 2.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.074 -14.959 0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.420 -14.573 0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.431 -14.009 -0.320 1.00 0.00 H new ATOM 181 N GLY A 22 9.152 -9.107 0.071 1.00 0.00 N ATOM 182 CA GLY A 22 8.713 -8.518 -1.183 1.00 0.00 C ATOM 183 C GLY A 22 9.738 -7.507 -1.703 1.00 0.00 C ATOM 184 O GLY A 22 10.736 -7.232 -1.038 1.00 0.00 O ATOM 0 H GLY A 22 8.534 -8.933 0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.563 -9.303 -1.924 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.751 -8.025 -1.040 1.00 0.00 H new ATOM 185 N HIS A 23 9.457 -6.982 -2.885 1.00 0.00 N ATOM 186 CA HIS A 23 10.341 -6.007 -3.501 1.00 0.00 C ATOM 187 C HIS A 23 9.531 -4.789 -3.949 1.00 0.00 C ATOM 188 O HIS A 23 8.836 -4.840 -4.963 1.00 0.00 O ATOM 189 CB HIS A 23 11.138 -6.642 -4.643 1.00 0.00 C ATOM 190 CG HIS A 23 12.009 -5.668 -5.400 1.00 0.00 C ATOM 191 ND1 HIS A 23 13.322 -5.943 -5.738 1.00 0.00 N ATOM 192 CD2 HIS A 23 11.740 -4.419 -5.880 1.00 0.00 C ATOM 193 CE1 HIS A 23 13.813 -4.900 -6.392 1.00 0.00 C ATOM 194 NE2 HIS A 23 12.830 -3.957 -6.479 1.00 0.00 N ATOM 0 H HIS A 23 8.629 -7.213 -3.434 1.00 0.00 H new ATOM 0 HA HIS A 23 11.074 -5.663 -2.771 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.766 -7.435 -4.237 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.444 -7.110 -5.340 1.00 0.00 H new ATOM 0 HD1 HIS A 23 13.827 -6.802 -5.521 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.800 -3.896 -5.788 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.814 -4.812 -6.787 1.00 0.00 H new ATOM 195 N SER A 24 9.647 -3.723 -3.172 1.00 0.00 N ATOM 196 CA SER A 24 8.934 -2.494 -3.476 1.00 0.00 C ATOM 197 C SER A 24 9.838 -1.545 -4.265 1.00 0.00 C ATOM 198 O SER A 24 11.017 -1.398 -3.947 1.00 0.00 O ATOM 199 CB SER A 24 8.438 -1.814 -2.199 1.00 0.00 C ATOM 200 OG SER A 24 9.504 -1.523 -1.299 1.00 0.00 O ATOM 0 H SER A 24 10.224 -3.685 -2.332 1.00 0.00 H new ATOM 0 HA SER A 24 8.064 -2.746 -4.083 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.920 -0.890 -2.458 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.712 -2.459 -1.704 1.00 0.00 H new ATOM 0 HG SER A 24 9.137 -1.293 -0.420 1.00 0.00 H new ATOM 201 N VAL A 25 9.252 -0.926 -5.279 1.00 0.00 N ATOM 202 CA VAL A 25 9.991 0.005 -6.116 1.00 0.00 C ATOM 203 C VAL A 25 9.412 1.410 -5.942 1.00 0.00 C ATOM 204 O VAL A 25 8.203 1.607 -6.062 1.00 0.00 O ATOM 205 CB VAL A 25 9.974 -0.473 -7.570 1.00 0.00 C ATOM 206 CG1 VAL A 25 10.701 -1.812 -7.714 1.00 0.00 C ATOM 207 CG2 VAL A 25 8.542 -0.565 -8.101 1.00 0.00 C ATOM 0 H VAL A 25 8.274 -1.051 -5.540 1.00 0.00 H new ATOM 0 HA VAL A 25 11.037 0.045 -5.813 1.00 0.00 H new ATOM 0 HB VAL A 25 10.506 0.264 -8.172 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.675 -2.130 -8.756 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.737 -1.700 -7.395 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.209 -2.561 -7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.559 -0.907 -9.136 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.974 -1.271 -7.495 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.072 0.417 -8.051 1.00 0.00 H new ATOM 208 N ALA A 26 10.301 2.351 -5.662 1.00 0.00 N ATOM 209 CA ALA A 26 9.894 3.733 -5.471 1.00 0.00 C ATOM 210 C ALA A 26 10.521 4.601 -6.563 1.00 0.00 C ATOM 211 O ALA A 26 11.687 4.419 -6.912 1.00 0.00 O ATOM 212 CB ALA A 26 10.287 4.190 -4.065 1.00 0.00 C ATOM 0 H ALA A 26 11.302 2.184 -5.563 1.00 0.00 H new ATOM 0 HA ALA A 26 8.812 3.830 -5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.982 5.227 -3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.792 3.560 -3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.367 4.110 -3.945 1.00 0.00 H new ATOM 213 N ASN A 27 9.721 5.526 -7.073 1.00 0.00 N ATOM 214 CA ASN A 27 10.183 6.423 -8.118 1.00 0.00 C ATOM 215 C ASN A 27 10.103 7.867 -7.618 1.00 0.00 C ATOM 216 O ASN A 27 10.378 8.138 -6.450 1.00 0.00 O ATOM 217 CB ASN A 27 9.311 6.306 -9.369 1.00 0.00 C ATOM 218 CG ASN A 27 10.076 6.756 -10.615 1.00 0.00 C ATOM 219 OD1 ASN A 27 11.295 6.775 -10.654 1.00 0.00 O ATOM 220 ND2 ASN A 27 9.295 7.116 -11.630 1.00 0.00 N ATOM 0 H ASN A 27 8.755 5.673 -6.781 1.00 0.00 H new ATOM 0 HA ASN A 27 11.209 6.151 -8.367 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.983 5.274 -9.493 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.414 6.914 -9.249 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.711 7.431 -12.506 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.281 7.077 -11.532 1.00 0.00 H new ATOM 221 N ARG A 28 9.726 8.754 -8.526 1.00 0.00 N ATOM 222 CA ARG A 28 9.607 10.162 -8.193 1.00 0.00 C ATOM 223 C ARG A 28 9.144 10.327 -6.743 1.00 0.00 C ATOM 224 O ARG A 28 9.946 10.630 -5.862 1.00 0.00 O ATOM 225 CB ARG A 28 8.615 10.866 -9.120 1.00 0.00 C ATOM 226 CG ARG A 28 9.161 10.950 -10.546 1.00 0.00 C ATOM 227 CD ARG A 28 10.238 12.031 -10.659 1.00 0.00 C ATOM 228 NE ARG A 28 10.679 12.162 -12.065 1.00 0.00 N ATOM 229 CZ ARG A 28 11.689 12.947 -12.466 1.00 0.00 C ATOM 0 H ARG A 28 9.499 8.524 -9.493 1.00 0.00 H new ATOM 0 HA ARG A 28 10.590 10.616 -8.319 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.668 10.327 -9.121 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.411 11.869 -8.745 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.577 9.986 -10.837 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.348 11.168 -11.238 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.847 12.984 -10.302 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.088 11.777 -10.025 1.00 0.00 H new ATOM 0 HE ARG A 28 10.184 11.621 -12.774 1.00 0.00 H new ATOM 230 N GLN A 29 7.851 10.119 -6.541 1.00 0.00 N ATOM 231 CA GLN A 29 7.272 10.240 -5.214 1.00 0.00 C ATOM 232 C GLN A 29 6.248 9.127 -4.978 1.00 0.00 C ATOM 233 O GLN A 29 5.284 9.313 -4.237 1.00 0.00 O ATOM 234 CB GLN A 29 6.639 11.618 -5.015 1.00 0.00 C ATOM 235 CG GLN A 29 6.114 12.177 -6.340 1.00 0.00 C ATOM 236 CD GLN A 29 4.847 11.441 -6.782 1.00 0.00 C ATOM 237 OE1 GLN A 29 4.442 10.446 -6.203 1.00 0.00 O ATOM 238 NE2 GLN A 29 4.246 11.984 -7.836 1.00 0.00 N ATOM 0 H GLN A 29 7.188 9.867 -7.274 1.00 0.00 H new ATOM 0 HA GLN A 29 8.071 10.134 -4.480 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.822 11.547 -4.297 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.375 12.303 -4.593 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.902 13.241 -6.232 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.881 12.082 -7.108 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.638 12.818 -8.273 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.392 11.567 -8.207 1.00 0.00 H new ATOM 239 N PHE A 30 6.492 7.996 -5.622 1.00 0.00 N ATOM 240 CA PHE A 30 5.604 6.854 -5.492 1.00 0.00 C ATOM 241 C PHE A 30 6.382 5.596 -5.099 1.00 0.00 C ATOM 242 O PHE A 30 7.540 5.434 -5.480 1.00 0.00 O ATOM 243 CB PHE A 30 4.957 6.632 -6.860 1.00 0.00 C ATOM 244 CG PHE A 30 3.540 6.057 -6.793 1.00 0.00 C ATOM 245 CD1 PHE A 30 2.498 6.857 -6.444 1.00 0.00 C ATOM 246 CD2 PHE A 30 3.324 4.746 -7.083 1.00 0.00 C ATOM 247 CE1 PHE A 30 1.183 6.322 -6.381 1.00 0.00 C ATOM 248 CE2 PHE A 30 2.010 4.211 -7.021 1.00 0.00 C ATOM 249 CZ PHE A 30 0.967 5.011 -6.671 1.00 0.00 C ATOM 0 H PHE A 30 7.293 7.846 -6.236 1.00 0.00 H new ATOM 0 HA PHE A 30 4.862 7.047 -4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.928 7.581 -7.395 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.585 5.957 -7.442 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.669 7.898 -6.215 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.152 4.111 -7.361 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.355 6.957 -6.103 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.839 3.170 -7.252 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.033 4.605 -6.623 1.00 0.00 H new ATOM 250 N VAL A 31 5.713 4.739 -4.342 1.00 0.00 N ATOM 251 CA VAL A 31 6.327 3.501 -3.893 1.00 0.00 C ATOM 252 C VAL A 31 5.321 2.355 -4.037 1.00 0.00 C ATOM 253 O VAL A 31 4.345 2.286 -3.294 1.00 0.00 O ATOM 254 CB VAL A 31 6.847 3.662 -2.464 1.00 0.00 C ATOM 255 CG1 VAL A 31 5.927 4.570 -1.645 1.00 0.00 C ATOM 256 CG2 VAL A 31 7.020 2.302 -1.785 1.00 0.00 C ATOM 0 H VAL A 31 4.752 4.877 -4.028 1.00 0.00 H new ATOM 0 HA VAL A 31 7.190 3.257 -4.513 1.00 0.00 H new ATOM 0 HB VAL A 31 7.827 4.136 -2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.319 4.668 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.877 5.554 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.928 4.136 -1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.391 2.447 -0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.060 1.788 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.733 1.701 -2.350 1.00 0.00 H new ATOM 257 N VAL A 32 5.596 1.487 -4.999 1.00 0.00 N ATOM 258 CA VAL A 32 4.728 0.350 -5.251 1.00 0.00 C ATOM 259 C VAL A 32 5.408 -0.926 -4.749 1.00 0.00 C ATOM 260 O VAL A 32 6.547 -1.213 -5.116 1.00 0.00 O ATOM 261 CB VAL A 32 4.363 0.287 -6.735 1.00 0.00 C ATOM 262 CG1 VAL A 32 3.502 1.487 -7.138 1.00 0.00 C ATOM 263 CG2 VAL A 32 5.618 0.196 -7.606 1.00 0.00 C ATOM 0 H VAL A 32 6.408 1.548 -5.613 1.00 0.00 H new ATOM 0 HA VAL A 32 3.791 0.457 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 32 3.777 -0.617 -6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.256 1.419 -8.198 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.583 1.489 -6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.053 2.409 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.330 0.152 -8.656 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.242 1.073 -7.437 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.177 -0.703 -7.346 1.00 0.00 H new ATOM 264 N TYR A 33 4.681 -1.658 -3.916 1.00 0.00 N ATOM 265 CA TYR A 33 5.200 -2.895 -3.360 1.00 0.00 C ATOM 266 C TYR A 33 4.781 -4.097 -4.211 1.00 0.00 C ATOM 267 O TYR A 33 3.621 -4.208 -4.605 1.00 0.00 O ATOM 268 CB TYR A 33 4.576 -3.028 -1.971 1.00 0.00 C ATOM 269 CG TYR A 33 5.459 -2.498 -0.839 1.00 0.00 C ATOM 270 CD1 TYR A 33 5.807 -1.164 -0.802 1.00 0.00 C ATOM 271 CD2 TYR A 33 5.907 -3.356 0.146 1.00 0.00 C ATOM 272 CE1 TYR A 33 6.638 -0.666 0.263 1.00 0.00 C ATOM 273 CE2 TYR A 33 6.739 -2.858 1.211 1.00 0.00 C ATOM 274 CZ TYR A 33 7.063 -1.538 1.217 1.00 0.00 C ATOM 0 H TYR A 33 3.737 -1.417 -3.613 1.00 0.00 H new ATOM 0 HA TYR A 33 6.289 -2.874 -3.329 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.626 -2.493 -1.958 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.353 -4.078 -1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.456 -0.493 -1.572 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.633 -4.400 0.118 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.918 0.376 0.304 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.097 -3.518 1.987 1.00 0.00 H new ATOM 275 N THR A 34 5.748 -4.965 -4.469 1.00 0.00 N ATOM 276 CA THR A 34 5.494 -6.153 -5.265 1.00 0.00 C ATOM 277 C THR A 34 6.532 -7.233 -4.958 1.00 0.00 C ATOM 278 O THR A 34 7.685 -6.924 -4.658 1.00 0.00 O ATOM 279 CB THR A 34 5.466 -5.739 -6.738 1.00 0.00 C ATOM 280 OG1 THR A 34 6.674 -5.003 -6.914 1.00 0.00 O ATOM 281 CG2 THR A 34 4.363 -4.721 -7.040 1.00 0.00 C ATOM 0 H THR A 34 6.709 -4.869 -4.141 1.00 0.00 H new ATOM 0 HA THR A 34 4.529 -6.595 -5.018 1.00 0.00 H new ATOM 0 HB THR A 34 5.325 -6.622 -7.361 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.103 -5.274 -7.753 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.387 -4.461 -8.098 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.393 -5.152 -6.794 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.523 -3.823 -6.442 1.00 0.00 H new ATOM 282 N CYS A 35 6.088 -8.479 -5.044 1.00 0.00 N ATOM 283 CA CYS A 35 6.965 -9.606 -4.779 1.00 0.00 C ATOM 284 C CYS A 35 7.286 -10.288 -6.110 1.00 0.00 C ATOM 285 O CYS A 35 6.522 -10.180 -7.068 1.00 0.00 O ATOM 286 CB CYS A 35 6.346 -10.580 -3.773 1.00 0.00 C ATOM 287 SG CYS A 35 5.236 -11.750 -4.638 1.00 0.00 S ATOM 0 H CYS A 35 5.132 -8.732 -5.294 1.00 0.00 H new ATOM 0 HA CYS A 35 7.889 -9.252 -4.321 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.132 -11.128 -3.254 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.788 -10.029 -3.016 1.00 0.00 H new ATOM 0 HG CYS A 35 4.217 -11.104 -5.122 1.00 0.00 H new ATOM 338 N HIS A 42 -3.953 -13.560 -7.896 1.00 0.00 N ATOM 339 CA HIS A 42 -4.822 -12.395 -7.892 1.00 0.00 C ATOM 340 C HIS A 42 -4.077 -11.200 -7.292 1.00 0.00 C ATOM 341 O HIS A 42 -3.688 -11.229 -6.126 1.00 0.00 O ATOM 342 CB HIS A 42 -6.134 -12.700 -7.167 1.00 0.00 C ATOM 343 CG HIS A 42 -6.560 -14.147 -7.249 1.00 0.00 C ATOM 344 ND1 HIS A 42 -7.238 -14.669 -8.336 1.00 0.00 N ATOM 345 CD2 HIS A 42 -6.396 -15.175 -6.367 1.00 0.00 C ATOM 346 CE1 HIS A 42 -7.467 -15.953 -8.108 1.00 0.00 C ATOM 347 NE2 HIS A 42 -6.945 -16.266 -6.888 1.00 0.00 N ATOM 0 HA HIS A 42 -5.091 -12.134 -8.915 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.031 -12.421 -6.118 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -6.923 -12.076 -7.587 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -5.903 -15.112 -5.408 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.978 -16.634 -8.773 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -6.972 -17.186 -6.448 1.00 0.00 H new ATOM 348 N PHE A 43 -3.901 -10.180 -8.118 1.00 0.00 N ATOM 349 CA PHE A 43 -3.210 -8.977 -7.683 1.00 0.00 C ATOM 350 C PHE A 43 -3.986 -8.271 -6.570 1.00 0.00 C ATOM 351 O PHE A 43 -4.915 -7.512 -6.840 1.00 0.00 O ATOM 352 CB PHE A 43 -3.123 -8.049 -8.896 1.00 0.00 C ATOM 353 CG PHE A 43 -4.471 -7.766 -9.561 1.00 0.00 C ATOM 354 CD1 PHE A 43 -4.941 -8.598 -10.530 1.00 0.00 C ATOM 355 CD2 PHE A 43 -5.202 -6.682 -9.184 1.00 0.00 C ATOM 356 CE1 PHE A 43 -6.192 -8.335 -11.147 1.00 0.00 C ATOM 357 CE2 PHE A 43 -6.453 -6.419 -9.801 1.00 0.00 C ATOM 358 CZ PHE A 43 -6.923 -7.251 -10.769 1.00 0.00 C ATOM 0 H PHE A 43 -4.224 -10.161 -9.085 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.224 -9.233 -7.295 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.677 -7.104 -8.586 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.452 -8.492 -9.632 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.362 -9.459 -10.830 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.830 -6.021 -8.415 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.564 -8.995 -11.917 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.032 -5.558 -9.502 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.876 -7.052 -11.237 1.00 0.00 H new ATOM 359 N ARG A 44 -3.574 -8.545 -5.341 1.00 0.00 N ATOM 360 CA ARG A 44 -4.218 -7.945 -4.185 1.00 0.00 C ATOM 361 C ARG A 44 -3.873 -6.457 -4.098 1.00 0.00 C ATOM 362 O ARG A 44 -2.702 -6.084 -4.139 1.00 0.00 O ATOM 363 CB ARG A 44 -3.785 -8.638 -2.891 1.00 0.00 C ATOM 364 CG ARG A 44 -2.268 -8.834 -2.856 1.00 0.00 C ATOM 365 CD ARG A 44 -1.906 -10.319 -2.913 1.00 0.00 C ATOM 366 NE ARG A 44 -1.255 -10.731 -1.649 1.00 0.00 N ATOM 367 CZ ARG A 44 -1.921 -11.137 -0.559 1.00 0.00 C ATOM 0 H ARG A 44 -2.802 -9.174 -5.121 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.295 -8.066 -4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.098 -8.043 -2.033 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.282 -9.604 -2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.811 -8.312 -3.697 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.861 -8.391 -1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.804 -10.914 -3.080 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.238 -10.507 -3.754 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.236 -10.704 -1.605 1.00 0.00 H new ATOM 368 N LEU A 45 -4.915 -5.646 -3.979 1.00 0.00 N ATOM 369 CA LEU A 45 -4.737 -4.208 -3.887 1.00 0.00 C ATOM 370 C LEU A 45 -4.892 -3.772 -2.428 1.00 0.00 C ATOM 371 O LEU A 45 -5.875 -4.118 -1.774 1.00 0.00 O ATOM 372 CB LEU A 45 -5.685 -3.488 -4.847 1.00 0.00 C ATOM 373 CG LEU A 45 -5.374 -3.642 -6.337 1.00 0.00 C ATOM 374 CD1 LEU A 45 -6.108 -2.583 -7.163 1.00 0.00 C ATOM 375 CD2 LEU A 45 -3.864 -3.618 -6.587 1.00 0.00 C ATOM 0 H LEU A 45 -5.885 -5.959 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.731 -3.928 -4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.697 -3.851 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.680 -2.426 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.740 -4.616 -6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.870 -2.715 -8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.183 -2.689 -7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.795 -1.590 -6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.670 -3.729 -7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.453 -2.670 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.392 -4.438 -6.045 1.00 0.00 H new ATOM 376 N GLY A 46 -3.907 -3.020 -1.960 1.00 0.00 N ATOM 377 CA GLY A 46 -3.922 -2.534 -0.591 1.00 0.00 C ATOM 378 C GLY A 46 -4.094 -1.013 -0.551 1.00 0.00 C ATOM 379 O GLY A 46 -5.000 -0.505 0.107 1.00 0.00 O ATOM 0 H GLY A 46 -3.093 -2.735 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.734 -3.010 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.993 -2.812 -0.092 1.00 0.00 H new ATOM 380 N ILE A 47 -3.209 -0.331 -1.262 1.00 0.00 N ATOM 381 CA ILE A 47 -3.250 1.120 -1.316 1.00 0.00 C ATOM 382 C ILE A 47 -2.917 1.687 0.066 1.00 0.00 C ATOM 383 O ILE A 47 -3.496 1.271 1.068 1.00 0.00 O ATOM 384 CB ILE A 47 -4.595 1.597 -1.868 1.00 0.00 C ATOM 385 CG1 ILE A 47 -4.886 0.961 -3.229 1.00 0.00 C ATOM 386 CG2 ILE A 47 -4.654 3.125 -1.924 1.00 0.00 C ATOM 387 CD1 ILE A 47 -6.367 1.087 -3.588 1.00 0.00 C ATOM 0 H ILE A 47 -2.459 -0.757 -1.806 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.496 1.497 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.380 1.270 -1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.280 1.443 -3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.601 -0.091 -3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.620 3.438 -2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.524 3.531 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.859 3.496 -2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.546 0.627 -4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.969 0.583 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.643 2.141 -3.629 1.00 0.00 H new ATOM 388 N SER A 48 -1.984 2.628 0.074 1.00 0.00 N ATOM 389 CA SER A 48 -1.567 3.257 1.316 1.00 0.00 C ATOM 390 C SER A 48 -1.145 4.704 1.054 1.00 0.00 C ATOM 391 O SER A 48 -0.853 5.074 -0.083 1.00 0.00 O ATOM 392 CB SER A 48 -0.421 2.480 1.968 1.00 0.00 C ATOM 393 OG SER A 48 -0.897 1.442 2.820 1.00 0.00 O ATOM 0 H SER A 48 -1.505 2.970 -0.759 1.00 0.00 H new ATOM 0 HA SER A 48 -2.413 3.251 2.004 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.213 2.050 1.192 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.200 3.166 2.544 1.00 0.00 H new ATOM 0 HG SER A 48 -1.770 1.132 2.501 1.00 0.00 H new ATOM 394 N VAL A 49 -1.127 5.485 2.124 1.00 0.00 N ATOM 395 CA VAL A 49 -0.747 6.884 2.025 1.00 0.00 C ATOM 396 C VAL A 49 -0.506 7.443 3.427 1.00 0.00 C ATOM 397 O VAL A 49 -0.893 6.828 4.420 1.00 0.00 O ATOM 398 CB VAL A 49 -1.810 7.661 1.245 1.00 0.00 C ATOM 399 CG1 VAL A 49 -1.787 9.145 1.618 1.00 0.00 C ATOM 400 CG2 VAL A 49 -1.632 7.471 -0.263 1.00 0.00 C ATOM 0 H VAL A 49 -1.370 5.175 3.065 1.00 0.00 H new ATOM 0 HA VAL A 49 0.185 6.988 1.470 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.786 7.262 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.552 9.675 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.985 9.255 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.808 9.563 1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.400 8.034 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.647 7.831 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.722 6.413 -0.510 1.00 0.00 H new ATOM 401 N SER A 50 0.132 8.604 3.465 1.00 0.00 N ATOM 402 CA SER A 50 0.429 9.254 4.731 1.00 0.00 C ATOM 403 C SER A 50 -0.697 10.222 5.099 1.00 0.00 C ATOM 404 O SER A 50 -1.538 10.548 4.264 1.00 0.00 O ATOM 405 CB SER A 50 1.766 9.994 4.669 1.00 0.00 C ATOM 406 OG SER A 50 2.726 9.439 5.565 1.00 0.00 O ATOM 0 H SER A 50 0.451 9.111 2.640 1.00 0.00 H new ATOM 0 HA SER A 50 0.505 8.486 5.501 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.155 9.955 3.651 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.610 11.045 4.911 1.00 0.00 H new ATOM 0 HG SER A 50 3.566 9.938 5.494 1.00 0.00 H new ATOM 407 N LYS A 51 -0.677 10.655 6.351 1.00 0.00 N ATOM 408 CA LYS A 51 -1.685 11.579 6.841 1.00 0.00 C ATOM 409 C LYS A 51 -1.179 13.014 6.676 1.00 0.00 C ATOM 410 O LYS A 51 -1.950 13.965 6.793 1.00 0.00 O ATOM 411 CB LYS A 51 -2.082 11.228 8.275 1.00 0.00 C ATOM 412 CG LYS A 51 -3.471 10.588 8.319 1.00 0.00 C ATOM 413 CD LYS A 51 -3.549 9.520 9.412 1.00 0.00 C ATOM 414 CE LYS A 51 -3.929 8.160 8.823 1.00 0.00 C ATOM 415 NZ LYS A 51 -3.662 7.079 9.799 1.00 0.00 N ATOM 0 H LYS A 51 0.023 10.382 7.041 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.598 11.493 6.252 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.349 10.544 8.702 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.073 12.128 8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.223 11.355 8.501 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.700 10.141 7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.588 9.444 9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.284 9.814 10.161 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.984 8.158 8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.362 7.981 7.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.926 6.163 9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.650 7.071 10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.222 7.242 10.660 1.00 0.00 H new ATOM 416 N LYS A 52 0.114 13.123 6.407 1.00 0.00 N ATOM 417 CA LYS A 52 0.732 14.426 6.224 1.00 0.00 C ATOM 418 C LYS A 52 1.065 14.626 4.744 1.00 0.00 C ATOM 419 O LYS A 52 1.345 15.743 4.313 1.00 0.00 O ATOM 420 CB LYS A 52 1.938 14.581 7.152 1.00 0.00 C ATOM 421 CG LYS A 52 1.891 15.918 7.895 1.00 0.00 C ATOM 422 CD LYS A 52 2.677 16.992 7.140 1.00 0.00 C ATOM 423 CE LYS A 52 3.855 17.498 7.975 1.00 0.00 C ATOM 424 NZ LYS A 52 4.345 18.792 7.450 1.00 0.00 N ATOM 0 H LYS A 52 0.750 12.331 6.311 1.00 0.00 H new ATOM 0 HA LYS A 52 0.039 15.219 6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.956 13.762 7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.858 14.516 6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.855 16.236 8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.304 15.796 8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.043 16.585 6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.018 17.824 6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.548 17.613 9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.661 16.764 7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.144 19.121 8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.657 18.671 6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.579 19.494 7.487 1.00 0.00 H new ATOM 425 N LEU A 53 1.022 13.525 4.008 1.00 0.00 N ATOM 426 CA LEU A 53 1.314 13.566 2.585 1.00 0.00 C ATOM 427 C LEU A 53 0.051 13.210 1.798 1.00 0.00 C ATOM 428 O LEU A 53 -0.003 13.402 0.584 1.00 0.00 O ATOM 429 CB LEU A 53 2.513 12.672 2.259 1.00 0.00 C ATOM 430 CG LEU A 53 2.407 11.850 0.973 1.00 0.00 C ATOM 431 CD1 LEU A 53 1.154 10.972 0.985 1.00 0.00 C ATOM 432 CD2 LEU A 53 2.462 12.753 -0.261 1.00 0.00 C ATOM 0 H LEU A 53 0.790 12.600 4.370 1.00 0.00 H new ATOM 0 HA LEU A 53 1.604 14.573 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.402 13.300 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.668 11.987 3.093 1.00 0.00 H new ATOM 0 HG LEU A 53 3.267 11.183 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.103 10.398 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.196 10.289 1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.269 11.602 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.385 12.144 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.635 13.462 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.406 13.298 -0.271 1.00 0.00 H new ATOM 433 N GLY A 54 -0.934 12.699 2.522 1.00 0.00 N ATOM 434 CA GLY A 54 -2.194 12.316 1.907 1.00 0.00 C ATOM 435 C GLY A 54 -3.318 13.269 2.318 1.00 0.00 C ATOM 436 O GLY A 54 -4.457 12.847 2.506 1.00 0.00 O ATOM 0 H GLY A 54 -0.885 12.541 3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.089 12.319 0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.451 11.298 2.200 1.00 0.00 H new ATOM 437 N ASN A 55 -2.957 14.538 2.445 1.00 0.00 N ATOM 438 CA ASN A 55 -3.920 15.554 2.830 1.00 0.00 C ATOM 439 C ASN A 55 -5.237 15.312 2.087 1.00 0.00 C ATOM 440 O ASN A 55 -5.285 14.522 1.146 1.00 0.00 O ATOM 441 CB ASN A 55 -3.422 16.954 2.463 1.00 0.00 C ATOM 442 CG ASN A 55 -4.066 18.017 3.355 1.00 0.00 C ATOM 443 OD1 ASN A 55 -4.500 17.754 4.464 1.00 0.00 O ATOM 444 ND2 ASN A 55 -4.105 19.230 2.809 1.00 0.00 N ATOM 0 H ASN A 55 -2.011 14.885 2.288 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.060 15.492 3.909 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.338 16.997 2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.652 17.163 1.418 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.517 20.008 3.324 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.723 19.382 1.875 1.00 0.00 H new ATOM 445 N ALA A 56 -6.270 16.007 2.538 1.00 0.00 N ATOM 446 CA ALA A 56 -7.583 15.876 1.928 1.00 0.00 C ATOM 447 C ALA A 56 -7.468 16.130 0.424 1.00 0.00 C ATOM 448 O ALA A 56 -8.202 15.540 -0.367 1.00 0.00 O ATOM 449 CB ALA A 56 -8.560 16.837 2.608 1.00 0.00 C ATOM 0 H ALA A 56 -6.225 16.663 3.318 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.971 14.866 2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.545 16.739 2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.627 16.597 3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.205 17.861 2.489 1.00 0.00 H new ATOM 450 N VAL A 57 -6.541 17.009 0.074 1.00 0.00 N ATOM 451 CA VAL A 57 -6.321 17.349 -1.323 1.00 0.00 C ATOM 452 C VAL A 57 -5.341 16.347 -1.938 1.00 0.00 C ATOM 453 O VAL A 57 -5.445 16.019 -3.119 1.00 0.00 O ATOM 454 CB VAL A 57 -5.845 18.798 -1.440 1.00 0.00 C ATOM 455 CG1 VAL A 57 -4.318 18.874 -1.475 1.00 0.00 C ATOM 456 CG2 VAL A 57 -6.458 19.478 -2.667 1.00 0.00 C ATOM 0 H VAL A 57 -5.933 17.496 0.733 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.253 17.280 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.185 19.335 -0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.007 19.915 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.911 18.446 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.945 18.314 -2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.104 20.507 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.163 18.939 -3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.545 19.473 -2.581 1.00 0.00 H new ATOM 457 N LEU A 58 -4.414 15.889 -1.110 1.00 0.00 N ATOM 458 CA LEU A 58 -3.418 14.932 -1.558 1.00 0.00 C ATOM 459 C LEU A 58 -4.063 13.551 -1.682 1.00 0.00 C ATOM 460 O LEU A 58 -3.855 12.850 -2.672 1.00 0.00 O ATOM 461 CB LEU A 58 -2.196 14.959 -0.637 1.00 0.00 C ATOM 462 CG LEU A 58 -1.201 16.096 -0.876 1.00 0.00 C ATOM 463 CD1 LEU A 58 -0.349 16.351 0.369 1.00 0.00 C ATOM 464 CD2 LEU A 58 -0.341 15.821 -2.112 1.00 0.00 C ATOM 0 H LEU A 58 -4.332 16.163 -0.131 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.049 15.202 -2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.544 15.018 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.667 14.012 -0.741 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.765 17.008 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.350 17.164 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.996 16.623 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.207 15.448 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.358 16.644 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.215 14.894 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.983 15.728 -2.988 1.00 0.00 H new ATOM 465 N ARG A 59 -4.834 13.199 -0.663 1.00 0.00 N ATOM 466 CA ARG A 59 -5.511 11.913 -0.646 1.00 0.00 C ATOM 467 C ARG A 59 -6.586 11.865 -1.735 1.00 0.00 C ATOM 468 O ARG A 59 -7.235 10.838 -1.925 1.00 0.00 O ATOM 469 CB ARG A 59 -6.162 11.652 0.714 1.00 0.00 C ATOM 470 CG ARG A 59 -5.351 10.638 1.523 1.00 0.00 C ATOM 471 CD ARG A 59 -5.831 10.586 2.975 1.00 0.00 C ATOM 472 NE ARG A 59 -6.540 9.312 3.230 1.00 0.00 N ATOM 473 CZ ARG A 59 -7.847 9.121 3.005 1.00 0.00 C ATOM 0 H ARG A 59 -5.005 13.782 0.156 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.764 11.142 -0.833 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.240 12.587 1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.177 11.280 0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.442 9.650 1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.295 10.906 1.495 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.981 10.680 3.651 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.494 11.427 3.178 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.000 8.530 3.600 1.00 0.00 H new ATOM 474 N ASN A 60 -6.738 12.988 -2.421 1.00 0.00 N ATOM 475 CA ASN A 60 -7.721 13.086 -3.486 1.00 0.00 C ATOM 476 C ASN A 60 -7.012 13.008 -4.839 1.00 0.00 C ATOM 477 O ASN A 60 -7.643 12.744 -5.861 1.00 0.00 O ATOM 478 CB ASN A 60 -8.472 14.418 -3.423 1.00 0.00 C ATOM 479 CG ASN A 60 -9.915 14.213 -2.957 1.00 0.00 C ATOM 480 OD1 ASN A 60 -10.674 13.444 -3.523 1.00 0.00 O ATOM 481 ND2 ASN A 60 -10.249 14.940 -1.894 1.00 0.00 N ATOM 0 H ASN A 60 -6.197 13.838 -2.260 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.429 12.266 -3.366 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.959 15.097 -2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.467 14.889 -4.406 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.189 14.872 -1.505 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.565 15.565 -1.468 1.00 0.00 H new ATOM 482 N LYS A 61 -5.708 13.243 -4.802 1.00 0.00 N ATOM 483 CA LYS A 61 -4.906 13.202 -6.013 1.00 0.00 C ATOM 484 C LYS A 61 -4.052 11.932 -6.012 1.00 0.00 C ATOM 485 O LYS A 61 -3.567 11.505 -7.058 1.00 0.00 O ATOM 486 CB LYS A 61 -4.092 14.489 -6.159 1.00 0.00 C ATOM 487 CG LYS A 61 -4.316 15.127 -7.531 1.00 0.00 C ATOM 488 CD LYS A 61 -4.059 16.634 -7.485 1.00 0.00 C ATOM 489 CE LYS A 61 -4.880 17.364 -8.549 1.00 0.00 C ATOM 490 NZ LYS A 61 -4.956 18.810 -8.244 1.00 0.00 N ATOM 0 H LYS A 61 -5.187 13.462 -3.953 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.547 13.155 -6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.375 15.193 -5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.033 14.271 -6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.654 14.664 -8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.338 14.939 -7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.312 17.020 -6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.998 16.830 -7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.428 17.217 -9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.884 16.943 -8.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.517 19.290 -8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.408 18.946 -7.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.997 19.211 -8.224 1.00 0.00 H new ATOM 491 N ILE A 62 -3.897 11.362 -4.826 1.00 0.00 N ATOM 492 CA ILE A 62 -3.112 10.149 -4.675 1.00 0.00 C ATOM 493 C ILE A 62 -4.039 8.934 -4.747 1.00 0.00 C ATOM 494 O ILE A 62 -3.673 7.902 -5.307 1.00 0.00 O ATOM 495 CB ILE A 62 -2.275 10.209 -3.396 1.00 0.00 C ATOM 496 CG1 ILE A 62 -1.249 11.341 -3.464 1.00 0.00 C ATOM 497 CG2 ILE A 62 -1.618 8.858 -3.107 1.00 0.00 C ATOM 498 CD1 ILE A 62 -0.309 11.304 -2.257 1.00 0.00 C ATOM 0 H ILE A 62 -4.302 11.718 -3.960 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.397 10.053 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.942 10.429 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.669 11.256 -4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.764 12.301 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.029 8.928 -2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.389 8.097 -2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.967 8.585 -3.938 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.410 12.120 -2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.889 11.413 -1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.222 10.352 -2.239 1.00 0.00 H new ATOM 499 N LYS A 63 -5.221 9.097 -4.173 1.00 0.00 N ATOM 500 CA LYS A 63 -6.204 8.026 -4.165 1.00 0.00 C ATOM 501 C LYS A 63 -6.850 7.924 -5.548 1.00 0.00 C ATOM 502 O LYS A 63 -7.065 6.824 -6.056 1.00 0.00 O ATOM 503 CB LYS A 63 -7.210 8.229 -3.030 1.00 0.00 C ATOM 504 CG LYS A 63 -8.379 9.104 -3.484 1.00 0.00 C ATOM 505 CD LYS A 63 -9.403 8.285 -4.273 1.00 0.00 C ATOM 506 CE LYS A 63 -10.822 8.806 -4.036 1.00 0.00 C ATOM 507 NZ LYS A 63 -11.363 8.274 -2.765 1.00 0.00 N ATOM 0 H LYS A 63 -5.521 9.955 -3.710 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.723 7.069 -3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.584 7.262 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.713 8.693 -2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.860 9.554 -2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.008 9.921 -4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.168 8.330 -5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.342 7.238 -3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.816 9.896 -4.008 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.467 8.512 -4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.327 8.637 -2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.387 7.235 -2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.756 8.576 -1.976 1.00 0.00 H new ATOM 508 N ARG A 64 -7.142 9.083 -6.117 1.00 0.00 N ATOM 509 CA ARG A 64 -7.760 9.137 -7.432 1.00 0.00 C ATOM 510 C ARG A 64 -6.817 8.555 -8.486 1.00 0.00 C ATOM 511 O ARG A 64 -7.241 7.781 -9.343 1.00 0.00 O ATOM 512 CB ARG A 64 -8.114 10.575 -7.814 1.00 0.00 C ATOM 513 CG ARG A 64 -6.892 11.314 -8.362 1.00 0.00 C ATOM 514 CD ARG A 64 -7.241 12.760 -8.722 1.00 0.00 C ATOM 515 NE ARG A 64 -7.821 12.817 -10.083 1.00 0.00 N ATOM 516 CZ ARG A 64 -8.463 13.882 -10.582 1.00 0.00 C ATOM 0 H ARG A 64 -6.963 9.993 -5.692 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.675 8.547 -7.393 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.907 10.572 -8.562 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.501 11.102 -6.942 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.093 11.303 -7.621 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.515 10.797 -9.244 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.950 13.163 -7.999 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.347 13.382 -8.672 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.726 11.994 -10.678 1.00 0.00 H new ATOM 517 N ALA A 65 -5.555 8.948 -8.388 1.00 0.00 N ATOM 518 CA ALA A 65 -4.549 8.473 -9.322 1.00 0.00 C ATOM 519 C ALA A 65 -4.298 6.983 -9.083 1.00 0.00 C ATOM 520 O ALA A 65 -3.617 6.330 -9.871 1.00 0.00 O ATOM 521 CB ALA A 65 -3.276 9.309 -9.171 1.00 0.00 C ATOM 0 H ALA A 65 -5.207 9.590 -7.676 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.896 8.588 -10.349 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.521 8.952 -9.872 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.501 10.355 -9.381 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.898 9.216 -8.153 1.00 0.00 H new ATOM 522 N ILE A 66 -4.865 6.488 -7.992 1.00 0.00 N ATOM 523 CA ILE A 66 -4.711 5.087 -7.638 1.00 0.00 C ATOM 524 C ILE A 66 -5.966 4.319 -8.063 1.00 0.00 C ATOM 525 O ILE A 66 -5.893 3.133 -8.381 1.00 0.00 O ATOM 526 CB ILE A 66 -4.375 4.943 -6.154 1.00 0.00 C ATOM 527 CG1 ILE A 66 -2.878 5.150 -5.908 1.00 0.00 C ATOM 528 CG2 ILE A 66 -4.864 3.599 -5.608 1.00 0.00 C ATOM 529 CD1 ILE A 66 -2.589 5.342 -4.418 1.00 0.00 C ATOM 0 H ILE A 66 -5.432 7.032 -7.342 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.870 4.648 -8.174 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.903 5.724 -5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.322 4.290 -6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.531 6.021 -6.465 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.612 3.523 -4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.945 3.528 -5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.384 2.788 -6.155 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.519 5.487 -4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.127 6.217 -4.053 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.915 4.459 -3.868 1.00 0.00 H new ATOM 530 N ARG A 67 -7.085 5.027 -8.054 1.00 0.00 N ATOM 531 CA ARG A 67 -8.353 4.426 -8.433 1.00 0.00 C ATOM 532 C ARG A 67 -8.625 4.657 -9.920 1.00 0.00 C ATOM 533 O ARG A 67 -9.644 4.210 -10.446 1.00 0.00 O ATOM 534 CB ARG A 67 -9.506 5.010 -7.613 1.00 0.00 C ATOM 535 CG ARG A 67 -10.016 6.312 -8.235 1.00 0.00 C ATOM 536 CD ARG A 67 -11.015 7.007 -7.308 1.00 0.00 C ATOM 537 NE ARG A 67 -12.254 7.330 -8.051 1.00 0.00 N ATOM 538 CZ ARG A 67 -13.230 6.447 -8.303 1.00 0.00 C ATOM 0 H ARG A 67 -7.141 6.011 -7.790 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.287 3.356 -8.234 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.319 4.287 -7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.173 5.196 -6.592 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.176 6.977 -8.435 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.490 6.100 -9.193 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.247 6.362 -6.460 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.575 7.919 -6.904 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.372 8.284 -8.392 1.00 0.00 H new ATOM 539 N GLU A 68 -7.697 5.355 -10.558 1.00 0.00 N ATOM 540 CA GLU A 68 -7.825 5.651 -11.975 1.00 0.00 C ATOM 541 C GLU A 68 -6.673 5.014 -12.756 1.00 0.00 C ATOM 542 O GLU A 68 -6.604 5.136 -13.978 1.00 0.00 O ATOM 543 CB GLU A 68 -7.883 7.161 -12.217 1.00 0.00 C ATOM 544 CG GLU A 68 -6.481 7.773 -12.202 1.00 0.00 C ATOM 545 CD GLU A 68 -6.026 8.136 -13.617 1.00 0.00 C ATOM 546 OE1 GLU A 68 -6.501 7.462 -14.557 1.00 0.00 O ATOM 547 OE2 GLU A 68 -5.213 9.078 -13.727 1.00 0.00 O ATOM 0 H GLU A 68 -6.853 5.724 -10.120 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.761 5.223 -12.333 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.361 7.361 -13.176 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.498 7.632 -11.450 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.476 8.664 -11.575 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.777 7.068 -11.759 1.00 0.00 H new ATOM 548 N ASN A 69 -5.796 4.351 -12.018 1.00 0.00 N ATOM 549 CA ASN A 69 -4.651 3.695 -12.625 1.00 0.00 C ATOM 550 C ASN A 69 -4.754 2.185 -12.401 1.00 0.00 C ATOM 551 O ASN A 69 -3.872 1.431 -12.811 1.00 0.00 O ATOM 552 CB ASN A 69 -3.342 4.177 -11.996 1.00 0.00 C ATOM 553 CG ASN A 69 -2.183 4.068 -12.989 1.00 0.00 C ATOM 554 OD1 ASN A 69 -1.342 3.187 -12.906 1.00 0.00 O ATOM 555 ND2 ASN A 69 -2.184 5.008 -13.928 1.00 0.00 N ATOM 0 H ASN A 69 -5.855 4.254 -11.004 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.651 3.935 -13.688 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.450 5.212 -11.670 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.121 3.585 -11.108 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.451 5.021 -14.637 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.918 5.716 -13.940 1.00 0.00 H new ATOM 556 N PHE A 70 -5.840 1.789 -11.754 1.00 0.00 N ATOM 557 CA PHE A 70 -6.070 0.382 -11.470 1.00 0.00 C ATOM 558 C PHE A 70 -7.228 -0.163 -12.310 1.00 0.00 C ATOM 559 O PHE A 70 -7.168 -1.291 -12.798 1.00 0.00 O ATOM 560 CB PHE A 70 -6.437 0.278 -9.989 1.00 0.00 C ATOM 561 CG PHE A 70 -5.255 -0.056 -9.078 1.00 0.00 C ATOM 562 CD1 PHE A 70 -4.278 -0.896 -9.512 1.00 0.00 C ATOM 563 CD2 PHE A 70 -5.181 0.488 -7.833 1.00 0.00 C ATOM 564 CE1 PHE A 70 -3.180 -1.206 -8.665 1.00 0.00 C ATOM 565 CE2 PHE A 70 -4.083 0.179 -6.986 1.00 0.00 C ATOM 566 CZ PHE A 70 -3.106 -0.662 -7.420 1.00 0.00 C ATOM 0 H PHE A 70 -6.570 2.417 -11.418 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.178 -0.197 -11.709 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.876 1.222 -9.667 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.204 -0.487 -9.868 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.336 -1.328 -10.500 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.957 1.155 -7.488 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.404 -1.874 -9.009 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.024 0.612 -5.998 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.271 -0.898 -6.776 1.00 0.00 H new ATOM 567 N LYS A 71 -8.253 0.663 -12.453 1.00 0.00 N ATOM 568 CA LYS A 71 -9.423 0.278 -13.224 1.00 0.00 C ATOM 569 C LYS A 71 -9.081 0.319 -14.716 1.00 0.00 C ATOM 570 O LYS A 71 -9.899 -0.055 -15.554 1.00 0.00 O ATOM 571 CB LYS A 71 -10.625 1.146 -12.845 1.00 0.00 C ATOM 572 CG LYS A 71 -10.556 2.509 -13.537 1.00 0.00 C ATOM 573 CD LYS A 71 -11.697 3.417 -13.071 1.00 0.00 C ATOM 574 CE LYS A 71 -12.217 4.278 -14.224 1.00 0.00 C ATOM 575 NZ LYS A 71 -13.355 5.111 -13.776 1.00 0.00 N ATOM 0 H LYS A 71 -8.298 1.598 -12.048 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.713 -0.746 -12.990 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.548 0.638 -13.125 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.652 1.284 -11.764 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.598 2.982 -13.322 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.610 2.376 -14.617 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.509 2.810 -12.670 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.349 4.058 -12.261 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.417 4.916 -14.599 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.529 3.640 -15.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.696 5.689 -14.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.124 4.497 -13.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.046 5.734 -13.002 1.00 0.00 H new ATOM 576 N VAL A 72 -7.870 0.776 -15.000 1.00 0.00 N ATOM 577 CA VAL A 72 -7.410 0.871 -16.374 1.00 0.00 C ATOM 578 C VAL A 72 -6.268 -0.122 -16.595 1.00 0.00 C ATOM 579 O VAL A 72 -6.227 -0.812 -17.612 1.00 0.00 O ATOM 580 CB VAL A 72 -7.018 2.315 -16.697 1.00 0.00 C ATOM 581 CG1 VAL A 72 -8.150 3.282 -16.345 1.00 0.00 C ATOM 582 CG2 VAL A 72 -5.722 2.703 -15.983 1.00 0.00 C ATOM 0 H VAL A 72 -7.194 1.084 -14.301 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.211 0.604 -17.064 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.842 2.383 -17.771 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.846 4.301 -16.584 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.040 3.025 -16.919 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.372 3.210 -15.280 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.465 3.733 -16.229 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.858 2.610 -14.906 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.917 2.042 -16.305 1.00 0.00 H new ATOM 583 N HIS A 73 -5.366 -0.163 -15.625 1.00 0.00 N ATOM 584 CA HIS A 73 -4.226 -1.060 -15.700 1.00 0.00 C ATOM 585 C HIS A 73 -4.695 -2.503 -15.504 1.00 0.00 C ATOM 586 O HIS A 73 -3.977 -3.444 -15.840 1.00 0.00 O ATOM 587 CB HIS A 73 -3.143 -0.647 -14.701 1.00 0.00 C ATOM 588 CG HIS A 73 -2.413 0.620 -15.075 1.00 0.00 C ATOM 589 ND1 HIS A 73 -1.103 0.626 -15.523 1.00 0.00 N ATOM 590 CD2 HIS A 73 -2.822 1.921 -15.064 1.00 0.00 C ATOM 591 CE1 HIS A 73 -0.751 1.880 -15.767 1.00 0.00 C ATOM 592 NE2 HIS A 73 -1.817 2.681 -15.482 1.00 0.00 N ATOM 0 H HIS A 73 -5.402 0.411 -14.783 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.771 -0.994 -16.688 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.600 -0.515 -13.720 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.420 -1.457 -14.609 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -0.510 -0.195 -15.645 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.798 2.273 -14.766 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.212 2.210 -16.128 1.00 0.00 H new ATOM 593 N LYS A 74 -5.896 -2.633 -14.960 1.00 0.00 N ATOM 594 CA LYS A 74 -6.469 -3.945 -14.715 1.00 0.00 C ATOM 595 C LYS A 74 -6.567 -4.709 -16.037 1.00 0.00 C ATOM 596 O LYS A 74 -6.664 -5.935 -16.043 1.00 0.00 O ATOM 597 CB LYS A 74 -7.804 -3.818 -13.978 1.00 0.00 C ATOM 598 CG LYS A 74 -8.512 -5.171 -13.888 1.00 0.00 C ATOM 599 CD LYS A 74 -9.973 -4.999 -13.468 1.00 0.00 C ATOM 600 CE LYS A 74 -10.139 -5.214 -11.962 1.00 0.00 C ATOM 601 NZ LYS A 74 -11.563 -5.100 -11.576 1.00 0.00 N ATOM 0 H LYS A 74 -6.488 -1.851 -14.682 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.822 -4.526 -14.057 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.634 -3.425 -12.976 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.443 -3.103 -14.496 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.464 -5.675 -14.853 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.996 -5.808 -13.170 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.317 -4.000 -13.737 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.597 -5.708 -14.011 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.759 -6.197 -11.685 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.548 -4.478 -11.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.658 -5.249 -10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.915 -4.153 -11.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.119 -5.818 -12.083 1.00 0.00 H new ATOM 602 N SER A 75 -6.536 -3.953 -17.124 1.00 0.00 N ATOM 603 CA SER A 75 -6.619 -4.544 -18.449 1.00 0.00 C ATOM 604 C SER A 75 -5.229 -4.975 -18.918 1.00 0.00 C ATOM 605 O SER A 75 -4.924 -4.914 -20.108 1.00 0.00 O ATOM 606 CB SER A 75 -7.237 -3.565 -19.450 1.00 0.00 C ATOM 607 OG SER A 75 -8.626 -3.813 -19.650 1.00 0.00 O ATOM 0 H SER A 75 -6.455 -2.936 -17.115 1.00 0.00 H new ATOM 0 HA SER A 75 -7.264 -5.421 -18.393 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.099 -2.545 -19.092 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.714 -3.642 -20.403 1.00 0.00 H new ATOM 0 HG SER A 75 -8.984 -3.167 -20.294 1.00 0.00 H new ATOM 608 N HIS A 76 -4.422 -5.403 -17.958 1.00 0.00 N ATOM 609 CA HIS A 76 -3.071 -5.846 -18.258 1.00 0.00 C ATOM 610 C HIS A 76 -2.384 -6.308 -16.971 1.00 0.00 C ATOM 611 O HIS A 76 -1.500 -7.162 -17.007 1.00 0.00 O ATOM 612 CB HIS A 76 -2.289 -4.749 -18.986 1.00 0.00 C ATOM 613 CG HIS A 76 -1.826 -3.626 -18.088 1.00 0.00 C ATOM 614 ND1 HIS A 76 -1.972 -2.291 -18.422 1.00 0.00 N ATOM 615 CD2 HIS A 76 -1.220 -3.655 -16.867 1.00 0.00 C ATOM 616 CE1 HIS A 76 -1.472 -1.558 -17.439 1.00 0.00 C ATOM 617 NE2 HIS A 76 -1.007 -2.404 -16.476 1.00 0.00 N ATOM 0 H HIS A 76 -4.678 -5.452 -16.972 1.00 0.00 H new ATOM 0 HA HIS A 76 -3.106 -6.699 -18.936 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.420 -5.196 -19.469 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.915 -4.334 -19.776 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -0.958 -4.544 -16.312 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.438 -0.479 -17.406 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -0.568 -2.122 -15.600 1.00 0.00 H new ATOM 618 N ILE A 77 -2.818 -5.724 -15.864 1.00 0.00 N ATOM 619 CA ILE A 77 -2.257 -6.066 -14.569 1.00 0.00 C ATOM 620 C ILE A 77 -2.482 -7.554 -14.296 1.00 0.00 C ATOM 621 O ILE A 77 -3.557 -8.083 -14.571 1.00 0.00 O ATOM 622 CB ILE A 77 -2.823 -5.150 -13.481 1.00 0.00 C ATOM 623 CG1 ILE A 77 -1.698 -4.490 -12.680 1.00 0.00 C ATOM 624 CG2 ILE A 77 -3.801 -5.907 -12.580 1.00 0.00 C ATOM 625 CD1 ILE A 77 -1.370 -3.102 -13.235 1.00 0.00 C ATOM 0 H ILE A 77 -3.552 -5.016 -15.838 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.180 -5.900 -14.566 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.385 -4.351 -13.965 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.992 -4.407 -11.634 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.808 -5.118 -12.712 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.188 -5.233 -11.816 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.627 -6.289 -13.180 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.285 -6.740 -12.102 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.568 -2.656 -12.648 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.053 -3.191 -14.274 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.256 -2.469 -13.179 1.00 0.00 H new ATOM 626 N LEU A 78 -1.449 -8.188 -13.760 1.00 0.00 N ATOM 627 CA LEU A 78 -1.521 -9.604 -13.448 1.00 0.00 C ATOM 628 C LEU A 78 -1.410 -9.796 -11.934 1.00 0.00 C ATOM 629 O LEU A 78 -1.182 -8.836 -11.199 1.00 0.00 O ATOM 630 CB LEU A 78 -0.470 -10.382 -14.243 1.00 0.00 C ATOM 631 CG LEU A 78 0.835 -9.638 -14.537 1.00 0.00 C ATOM 632 CD1 LEU A 78 0.622 -8.556 -15.597 1.00 0.00 C ATOM 633 CD2 LEU A 78 1.444 -9.071 -13.253 1.00 0.00 C ATOM 0 H LEU A 78 -0.558 -7.746 -13.534 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.485 -10.011 -13.752 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.230 -11.293 -13.695 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.913 -10.687 -15.191 1.00 0.00 H new ATOM 0 HG LEU A 78 1.551 -10.352 -14.945 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.564 -8.043 -15.787 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.266 -9.015 -16.519 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.117 -7.838 -15.241 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.370 -8.547 -13.490 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.742 -8.376 -12.793 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.655 -9.885 -12.560 1.00 0.00 H new ATOM 634 N ALA A 79 -1.577 -11.041 -11.512 1.00 0.00 N ATOM 635 CA ALA A 79 -1.500 -11.369 -10.099 1.00 0.00 C ATOM 636 C ALA A 79 -0.183 -10.839 -9.528 1.00 0.00 C ATOM 637 O ALA A 79 0.507 -10.054 -10.176 1.00 0.00 O ATOM 638 CB ALA A 79 -1.649 -12.881 -9.918 1.00 0.00 C ATOM 0 H ALA A 79 -1.765 -11.835 -12.124 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.312 -10.893 -9.549 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.591 -13.128 -8.858 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.613 -13.202 -10.313 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.849 -13.392 -10.454 1.00 0.00 H new ATOM 639 N LYS A 80 0.127 -11.292 -8.322 1.00 0.00 N ATOM 640 CA LYS A 80 1.349 -10.873 -7.656 1.00 0.00 C ATOM 641 C LYS A 80 1.036 -9.716 -6.706 1.00 0.00 C ATOM 642 O LYS A 80 0.581 -8.658 -7.137 1.00 0.00 O ATOM 643 CB LYS A 80 2.434 -10.548 -8.685 1.00 0.00 C ATOM 644 CG LYS A 80 2.621 -11.704 -9.670 1.00 0.00 C ATOM 645 CD LYS A 80 3.130 -11.196 -11.020 1.00 0.00 C ATOM 646 CE LYS A 80 3.703 -12.342 -11.856 1.00 0.00 C ATOM 647 NZ LYS A 80 3.871 -11.923 -13.265 1.00 0.00 N ATOM 0 H LYS A 80 -0.447 -11.945 -7.789 1.00 0.00 H new ATOM 0 HA LYS A 80 1.750 -11.684 -7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.165 -9.642 -9.229 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.375 -10.345 -8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.327 -12.426 -9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.674 -12.226 -9.807 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.315 -10.717 -11.563 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.897 -10.438 -10.862 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.664 -12.654 -11.446 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.039 -13.205 -11.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.261 -12.713 -13.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.948 -11.648 -13.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.522 -11.113 -13.311 1.00 0.00 H new ATOM 648 N ASP A 81 1.292 -9.956 -5.428 1.00 0.00 N ATOM 649 CA ASP A 81 1.044 -8.948 -4.412 1.00 0.00 C ATOM 650 C ASP A 81 1.449 -7.576 -4.953 1.00 0.00 C ATOM 651 O ASP A 81 2.577 -7.392 -5.409 1.00 0.00 O ATOM 652 CB ASP A 81 1.867 -9.221 -3.152 1.00 0.00 C ATOM 653 CG ASP A 81 3.273 -9.769 -3.404 1.00 0.00 C ATOM 654 OD1 ASP A 81 3.876 -9.342 -4.412 1.00 0.00 O ATOM 655 OD2 ASP A 81 3.714 -10.602 -2.583 1.00 0.00 O ATOM 0 H ASP A 81 1.669 -10.835 -5.073 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.017 -8.975 -4.162 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.951 -8.295 -2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.323 -9.930 -2.528 1.00 0.00 H new ATOM 656 N ILE A 82 0.506 -6.647 -4.885 1.00 0.00 N ATOM 657 CA ILE A 82 0.751 -5.296 -5.361 1.00 0.00 C ATOM 658 C ILE A 82 0.156 -4.294 -4.369 1.00 0.00 C ATOM 659 O ILE A 82 -0.939 -4.503 -3.851 1.00 0.00 O ATOM 660 CB ILE A 82 0.229 -5.129 -6.790 1.00 0.00 C ATOM 661 CG1 ILE A 82 0.150 -3.651 -7.177 1.00 0.00 C ATOM 662 CG2 ILE A 82 -1.114 -5.841 -6.969 1.00 0.00 C ATOM 663 CD1 ILE A 82 -1.091 -2.991 -6.572 1.00 0.00 C ATOM 0 H ILE A 82 -0.429 -6.803 -4.508 1.00 0.00 H new ATOM 0 HA ILE A 82 1.822 -5.098 -5.411 1.00 0.00 H new ATOM 0 HB ILE A 82 0.938 -5.601 -7.470 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.046 -3.133 -6.834 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.124 -3.557 -8.263 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.463 -5.707 -7.993 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.992 -6.904 -6.763 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.844 -5.419 -6.279 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.123 -1.941 -6.863 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.986 -3.496 -6.936 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.050 -3.066 -5.485 1.00 0.00 H new ATOM 664 N ILE A 83 0.907 -3.227 -4.134 1.00 0.00 N ATOM 665 CA ILE A 83 0.468 -2.192 -3.213 1.00 0.00 C ATOM 666 C ILE A 83 1.115 -0.862 -3.602 1.00 0.00 C ATOM 667 O ILE A 83 2.339 -0.739 -3.599 1.00 0.00 O ATOM 668 CB ILE A 83 0.742 -2.610 -1.768 1.00 0.00 C ATOM 669 CG1 ILE A 83 0.769 -4.134 -1.633 1.00 0.00 C ATOM 670 CG2 ILE A 83 -0.263 -1.968 -0.810 1.00 0.00 C ATOM 671 CD1 ILE A 83 1.194 -4.553 -0.223 1.00 0.00 C ATOM 0 H ILE A 83 1.816 -3.057 -4.565 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.611 -2.054 -3.281 1.00 0.00 H new ATOM 0 HB ILE A 83 1.730 -2.244 -1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.218 -4.540 -1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.458 -4.555 -2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.045 -2.282 0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.189 -0.883 -0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.272 -2.281 -1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.205 -5.641 -0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.191 -4.166 -0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.489 -4.151 0.504 1.00 0.00 H new ATOM 672 N VAL A 84 0.265 0.101 -3.928 1.00 0.00 N ATOM 673 CA VAL A 84 0.740 1.418 -4.319 1.00 0.00 C ATOM 674 C VAL A 84 0.638 2.367 -3.123 1.00 0.00 C ATOM 675 O VAL A 84 -0.459 2.662 -2.651 1.00 0.00 O ATOM 676 CB VAL A 84 -0.036 1.912 -5.541 1.00 0.00 C ATOM 677 CG1 VAL A 84 -0.011 0.872 -6.664 1.00 0.00 C ATOM 678 CG2 VAL A 84 -1.473 2.279 -5.167 1.00 0.00 C ATOM 0 H VAL A 84 -0.750 -0.004 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 84 1.789 1.375 -4.612 1.00 0.00 H new ATOM 0 HB VAL A 84 0.456 2.813 -5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.570 1.248 -7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.021 0.680 -6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.466 -0.054 -6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.002 2.627 -6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.979 1.402 -4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.463 3.070 -4.417 1.00 0.00 H new ATOM 679 N ILE A 85 1.797 2.819 -2.666 1.00 0.00 N ATOM 680 CA ILE A 85 1.853 3.727 -1.535 1.00 0.00 C ATOM 681 C ILE A 85 2.527 5.032 -1.966 1.00 0.00 C ATOM 682 O ILE A 85 3.366 5.032 -2.866 1.00 0.00 O ATOM 683 CB ILE A 85 2.528 3.054 -0.338 1.00 0.00 C ATOM 684 CG1 ILE A 85 2.332 1.537 -0.380 1.00 0.00 C ATOM 685 CG2 ILE A 85 2.039 3.659 0.979 1.00 0.00 C ATOM 686 CD1 ILE A 85 3.606 0.832 -0.851 1.00 0.00 C ATOM 0 H ILE A 85 2.705 2.572 -3.060 1.00 0.00 H new ATOM 0 HA ILE A 85 0.847 3.981 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 85 3.600 3.242 -0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.057 1.175 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.508 1.292 -1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.534 3.163 1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.273 4.723 0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.961 3.523 1.064 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.439 -0.245 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.865 1.178 -1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.422 1.060 -0.166 1.00 0.00 H new ATOM 687 N ALA A 86 2.134 6.111 -1.305 1.00 0.00 N ATOM 688 CA ALA A 86 2.690 7.418 -1.609 1.00 0.00 C ATOM 689 C ALA A 86 4.031 7.577 -0.891 1.00 0.00 C ATOM 690 O ALA A 86 4.072 7.709 0.331 1.00 0.00 O ATOM 691 CB ALA A 86 1.685 8.504 -1.216 1.00 0.00 C ATOM 0 H ALA A 86 1.437 6.107 -0.560 1.00 0.00 H new ATOM 0 HA ALA A 86 2.876 7.517 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.102 9.485 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.760 8.364 -1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.476 8.438 -0.148 1.00 0.00 H new ATOM 692 N ARG A 87 5.095 7.561 -1.680 1.00 0.00 N ATOM 693 CA ARG A 87 6.434 7.702 -1.135 1.00 0.00 C ATOM 694 C ARG A 87 6.409 8.593 0.109 1.00 0.00 C ATOM 695 O ARG A 87 6.609 8.114 1.224 1.00 0.00 O ATOM 696 CB ARG A 87 7.389 8.305 -2.167 1.00 0.00 C ATOM 697 CG ARG A 87 8.753 8.605 -1.543 1.00 0.00 C ATOM 698 CD ARG A 87 9.639 7.358 -1.539 1.00 0.00 C ATOM 699 NE ARG A 87 10.741 7.523 -0.565 1.00 0.00 N ATOM 700 CZ ARG A 87 10.565 7.610 0.761 1.00 0.00 C ATOM 0 H ARG A 87 5.057 7.452 -2.693 1.00 0.00 H new ATOM 0 HA ARG A 87 6.789 6.707 -0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.511 7.615 -3.002 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.961 9.222 -2.572 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.244 9.403 -2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.619 8.964 -0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.045 6.481 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.046 7.188 -2.536 1.00 0.00 H new ATOM 0 HE ARG A 87 11.694 7.574 -0.925 1.00 0.00 H new ATOM 701 N GLN A 88 6.163 9.874 -0.124 1.00 0.00 N ATOM 702 CA GLN A 88 6.110 10.836 0.963 1.00 0.00 C ATOM 703 C GLN A 88 6.202 12.261 0.416 1.00 0.00 C ATOM 704 O GLN A 88 5.423 13.131 0.802 1.00 0.00 O ATOM 705 CB GLN A 88 7.216 10.568 1.986 1.00 0.00 C ATOM 706 CG GLN A 88 6.633 10.028 3.294 1.00 0.00 C ATOM 707 CD GLN A 88 6.915 10.984 4.455 1.00 0.00 C ATOM 708 OE1 GLN A 88 7.759 10.742 5.302 1.00 0.00 O ATOM 709 NE2 GLN A 88 6.163 12.082 4.447 1.00 0.00 N ATOM 0 H GLN A 88 5.998 10.268 -1.050 1.00 0.00 H new ATOM 0 HA GLN A 88 5.153 10.726 1.474 1.00 0.00 H new ATOM 0 HB2 GLN A 88 7.928 9.851 1.578 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.767 11.488 2.181 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.557 9.888 3.187 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.062 9.050 3.511 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.474 12.223 3.708 1.00 0.00 H new ATOM 0 HE22 GLN A 88 6.275 12.782 5.180 1.00 0.00 H new ATOM 710 N PRO A 89 7.188 12.462 -0.500 1.00 0.00 N ATOM 711 CA PRO A 89 7.393 13.768 -1.104 1.00 0.00 C ATOM 712 C PRO A 89 6.314 14.064 -2.149 1.00 0.00 C ATOM 713 O PRO A 89 6.394 15.062 -2.864 1.00 0.00 O ATOM 714 CB PRO A 89 8.792 13.713 -1.694 1.00 0.00 C ATOM 715 CG PRO A 89 9.140 12.238 -1.807 1.00 0.00 C ATOM 716 CD PRO A 89 8.130 11.457 -0.982 1.00 0.00 C ATOM 0 HA PRO A 89 7.311 14.582 -0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.823 14.197 -2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.505 14.235 -1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.112 11.918 -2.848 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.152 12.056 -1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.628 10.700 -1.584 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.612 10.937 -0.154 1.00 0.00 H new ATOM 717 N ALA A 90 5.331 13.177 -2.205 1.00 0.00 N ATOM 718 CA ALA A 90 4.239 13.331 -3.150 1.00 0.00 C ATOM 719 C ALA A 90 3.145 14.198 -2.523 1.00 0.00 C ATOM 720 O ALA A 90 1.997 14.171 -2.964 1.00 0.00 O ATOM 721 CB ALA A 90 3.723 11.951 -3.564 1.00 0.00 C ATOM 0 H ALA A 90 5.268 12.350 -1.611 1.00 0.00 H new ATOM 0 HA ALA A 90 4.582 13.835 -4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.903 12.067 -4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.530 11.386 -4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.368 11.416 -2.683 1.00 0.00 H new ATOM 722 N LYS A 91 3.540 14.946 -1.503 1.00 0.00 N ATOM 723 CA LYS A 91 2.608 15.819 -0.811 1.00 0.00 C ATOM 724 C LYS A 91 2.579 17.181 -1.507 1.00 0.00 C ATOM 725 O LYS A 91 1.906 18.103 -1.047 1.00 0.00 O ATOM 726 CB LYS A 91 2.951 15.897 0.678 1.00 0.00 C ATOM 727 CG LYS A 91 4.057 16.924 0.933 1.00 0.00 C ATOM 728 CD LYS A 91 3.510 18.148 1.669 1.00 0.00 C ATOM 729 CE LYS A 91 4.388 18.504 2.869 1.00 0.00 C ATOM 730 NZ LYS A 91 5.541 19.328 2.442 1.00 0.00 N ATOM 0 H LYS A 91 4.493 14.965 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 91 1.598 15.413 -0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.061 16.167 1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.271 14.917 1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.853 16.468 1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.497 17.232 -0.015 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.461 18.996 0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.492 17.950 2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.800 19.047 3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.743 17.593 3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.127 19.561 3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.111 18.797 1.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.197 20.206 2.004 1.00 0.00 H new ATOM 731 N ASP A 92 3.315 17.265 -2.605 1.00 0.00 N ATOM 732 CA ASP A 92 3.382 18.499 -3.369 1.00 0.00 C ATOM 733 C ASP A 92 3.561 18.166 -4.852 1.00 0.00 C ATOM 734 O ASP A 92 4.402 18.757 -5.527 1.00 0.00 O ATOM 735 CB ASP A 92 4.571 19.355 -2.930 1.00 0.00 C ATOM 736 CG ASP A 92 5.945 18.785 -3.286 1.00 0.00 C ATOM 737 OD1 ASP A 92 6.451 17.977 -2.478 1.00 0.00 O ATOM 738 OD2 ASP A 92 6.458 19.169 -4.360 1.00 0.00 O ATOM 0 H ASP A 92 3.870 16.498 -2.984 1.00 0.00 H new ATOM 0 HA ASP A 92 2.458 19.052 -3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.476 20.342 -3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.521 19.493 -1.850 1.00 0.00 H new ATOM 739 N MET A 93 2.754 17.222 -5.316 1.00 0.00 N ATOM 740 CA MET A 93 2.813 16.804 -6.705 1.00 0.00 C ATOM 741 C MET A 93 1.430 16.866 -7.356 1.00 0.00 C ATOM 742 O MET A 93 0.479 17.360 -6.753 1.00 0.00 O ATOM 743 CB MET A 93 3.352 15.375 -6.787 1.00 0.00 C ATOM 744 CG MET A 93 2.939 14.563 -5.557 1.00 0.00 C ATOM 745 SD MET A 93 1.171 14.319 -5.552 1.00 0.00 S ATOM 746 CE MET A 93 1.103 12.536 -5.607 1.00 0.00 C ATOM 0 H MET A 93 2.056 16.735 -4.753 1.00 0.00 H new ATOM 0 HA MET A 93 3.477 17.483 -7.240 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.977 14.892 -7.689 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.439 15.396 -6.865 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.447 13.599 -5.560 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.245 15.082 -4.649 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.128 12.220 -5.978 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.883 12.162 -6.271 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.257 12.135 -4.605 1.00 0.00 H new ATOM 747 N THR A 94 1.362 16.357 -8.578 1.00 0.00 N ATOM 748 CA THR A 94 0.111 16.348 -9.316 1.00 0.00 C ATOM 749 C THR A 94 -0.120 14.979 -9.958 1.00 0.00 C ATOM 750 O THR A 94 0.834 14.278 -10.293 1.00 0.00 O ATOM 751 CB THR A 94 0.150 17.495 -10.327 1.00 0.00 C ATOM 752 OG1 THR A 94 1.459 17.420 -10.886 1.00 0.00 O ATOM 753 CG2 THR A 94 0.111 18.869 -9.656 1.00 0.00 C ATOM 0 H THR A 94 2.153 15.948 -9.075 1.00 0.00 H new ATOM 0 HA THR A 94 -0.740 16.509 -8.654 1.00 0.00 H new ATOM 0 HB THR A 94 -0.692 17.402 -11.013 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.570 18.128 -11.554 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.141 19.647 -10.419 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.807 18.965 -9.076 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.971 18.976 -8.995 1.00 0.00 H new ATOM 754 N THR A 95 -1.392 14.639 -10.111 1.00 0.00 N ATOM 755 CA THR A 95 -1.760 13.367 -10.707 1.00 0.00 C ATOM 756 C THR A 95 -0.897 13.086 -11.940 1.00 0.00 C ATOM 757 O THR A 95 -0.712 11.932 -12.323 1.00 0.00 O ATOM 758 CB THR A 95 -3.259 13.402 -11.010 1.00 0.00 C ATOM 759 OG1 THR A 95 -3.872 13.060 -9.770 1.00 0.00 O ATOM 760 CG2 THR A 95 -3.691 12.283 -11.960 1.00 0.00 C ATOM 0 H THR A 95 -2.180 15.223 -9.832 1.00 0.00 H new ATOM 0 HA THR A 95 -1.572 12.540 -10.022 1.00 0.00 H new ATOM 0 HB THR A 95 -3.519 14.367 -11.444 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.722 12.603 -9.940 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.763 12.354 -12.142 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.156 12.381 -12.904 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.462 11.316 -11.511 1.00 0.00 H new ATOM 761 N LEU A 96 -0.393 14.161 -12.527 1.00 0.00 N ATOM 762 CA LEU A 96 0.444 14.046 -13.709 1.00 0.00 C ATOM 763 C LEU A 96 1.748 13.335 -13.336 1.00 0.00 C ATOM 764 O LEU A 96 2.216 12.466 -14.070 1.00 0.00 O ATOM 765 CB LEU A 96 0.655 15.417 -14.353 1.00 0.00 C ATOM 766 CG LEU A 96 1.365 15.420 -15.708 1.00 0.00 C ATOM 767 CD1 LEU A 96 2.885 15.423 -15.530 1.00 0.00 C ATOM 768 CD2 LEU A 96 0.893 14.253 -16.578 1.00 0.00 C ATOM 0 H LEU A 96 -0.548 15.117 -12.206 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.049 13.437 -14.467 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.318 15.893 -14.474 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.229 16.036 -13.663 1.00 0.00 H new ATOM 0 HG LEU A 96 1.099 16.339 -16.230 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.366 15.425 -16.508 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.185 16.313 -14.976 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.188 14.533 -14.978 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.414 14.279 -17.535 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.109 13.312 -16.073 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.181 14.336 -16.747 1.00 0.00 H new ATOM 769 N GLN A 97 2.296 13.732 -12.198 1.00 0.00 N ATOM 770 CA GLN A 97 3.536 13.144 -11.719 1.00 0.00 C ATOM 771 C GLN A 97 3.301 11.698 -11.277 1.00 0.00 C ATOM 772 O GLN A 97 4.228 10.889 -11.270 1.00 0.00 O ATOM 773 CB GLN A 97 4.134 13.975 -10.583 1.00 0.00 C ATOM 774 CG GLN A 97 4.081 15.469 -10.909 1.00 0.00 C ATOM 775 CD GLN A 97 4.932 16.275 -9.927 1.00 0.00 C ATOM 776 OE1 GLN A 97 5.611 15.738 -9.066 1.00 0.00 O ATOM 777 NE2 GLN A 97 4.860 17.592 -10.102 1.00 0.00 N ATOM 0 H GLN A 97 1.905 14.454 -11.593 1.00 0.00 H new ATOM 0 HA GLN A 97 4.255 13.141 -12.539 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.588 13.781 -9.660 1.00 0.00 H new ATOM 0 HB3 GLN A 97 5.167 13.673 -10.412 1.00 0.00 H new ATOM 0 HG2 GLN A 97 4.437 15.636 -11.926 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.049 15.817 -10.871 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.273 17.977 -10.842 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.392 18.217 -9.496 1.00 0.00 H new ATOM 778 N ILE A 98 2.058 11.418 -10.917 1.00 0.00 N ATOM 779 CA ILE A 98 1.689 10.083 -10.474 1.00 0.00 C ATOM 780 C ILE A 98 1.669 9.139 -11.678 1.00 0.00 C ATOM 781 O ILE A 98 2.319 8.094 -11.663 1.00 0.00 O ATOM 782 CB ILE A 98 0.371 10.121 -9.699 1.00 0.00 C ATOM 783 CG1 ILE A 98 0.448 11.110 -8.534 1.00 0.00 C ATOM 784 CG2 ILE A 98 -0.033 8.720 -9.235 1.00 0.00 C ATOM 785 CD1 ILE A 98 -0.938 11.369 -7.942 1.00 0.00 C ATOM 0 H ILE A 98 1.293 12.092 -10.923 1.00 0.00 H new ATOM 0 HA ILE A 98 2.430 9.694 -9.776 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.410 10.476 -10.371 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.109 10.717 -7.762 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.882 12.049 -8.878 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.973 8.775 -8.687 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.156 8.071 -10.102 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.742 8.314 -8.585 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.855 12.075 -7.116 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.590 11.785 -8.710 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.359 10.432 -7.577 1.00 0.00 H new ATOM 786 N GLN A 99 0.914 9.539 -12.691 1.00 0.00 N ATOM 787 CA GLN A 99 0.800 8.741 -13.900 1.00 0.00 C ATOM 788 C GLN A 99 2.178 8.537 -14.533 1.00 0.00 C ATOM 789 O GLN A 99 2.455 7.479 -15.096 1.00 0.00 O ATOM 790 CB GLN A 99 -0.169 9.386 -14.893 1.00 0.00 C ATOM 791 CG GLN A 99 -1.462 9.817 -14.196 1.00 0.00 C ATOM 792 CD GLN A 99 -2.659 9.022 -14.721 1.00 0.00 C ATOM 793 OE1 GLN A 99 -3.254 9.344 -15.735 1.00 0.00 O ATOM 794 NE2 GLN A 99 -2.976 7.967 -13.974 1.00 0.00 N ATOM 0 H GLN A 99 0.375 10.405 -12.699 1.00 0.00 H new ATOM 0 HA GLN A 99 0.397 7.765 -13.631 1.00 0.00 H new ATOM 0 HB2 GLN A 99 0.304 10.251 -15.358 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.400 8.681 -15.692 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.366 9.669 -13.120 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.629 10.882 -14.358 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.435 7.754 -13.136 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.760 7.371 -14.240 1.00 0.00 H new ATOM 795 N ASN A 100 3.005 9.565 -14.419 1.00 0.00 N ATOM 796 CA ASN A 100 4.348 9.511 -14.973 1.00 0.00 C ATOM 797 C ASN A 100 5.182 8.504 -14.180 1.00 0.00 C ATOM 798 O ASN A 100 6.175 7.982 -14.684 1.00 0.00 O ATOM 799 CB ASN A 100 5.037 10.874 -14.880 1.00 0.00 C ATOM 800 CG ASN A 100 4.719 11.734 -16.105 1.00 0.00 C ATOM 801 OD1 ASN A 100 4.197 11.268 -17.104 1.00 0.00 O ATOM 802 ND2 ASN A 100 5.064 13.012 -15.973 1.00 0.00 N ATOM 0 H ASN A 100 2.772 10.441 -13.951 1.00 0.00 H new ATOM 0 HA ASN A 100 4.270 9.217 -16.020 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.712 11.389 -13.976 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.115 10.736 -14.798 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.895 13.667 -16.736 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.498 13.337 -15.109 1.00 0.00 H new ATOM 803 N SER A 101 4.748 8.262 -12.952 1.00 0.00 N ATOM 804 CA SER A 101 5.443 7.327 -12.084 1.00 0.00 C ATOM 805 C SER A 101 4.864 5.921 -12.258 1.00 0.00 C ATOM 806 O SER A 101 5.593 4.978 -12.561 1.00 0.00 O ATOM 807 CB SER A 101 5.351 7.761 -10.619 1.00 0.00 C ATOM 808 OG SER A 101 4.101 7.405 -10.035 1.00 0.00 O ATOM 0 H SER A 101 3.924 8.697 -12.538 1.00 0.00 H new ATOM 0 HA SER A 101 6.496 7.317 -12.366 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.160 7.300 -10.053 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.489 8.840 -10.551 1.00 0.00 H new ATOM 0 HG SER A 101 3.384 7.922 -10.457 1.00 0.00 H new ATOM 809 N LEU A 102 3.557 5.826 -12.060 1.00 0.00 N ATOM 810 CA LEU A 102 2.872 4.552 -12.191 1.00 0.00 C ATOM 811 C LEU A 102 3.288 3.886 -13.505 1.00 0.00 C ATOM 812 O LEU A 102 3.388 2.663 -13.580 1.00 0.00 O ATOM 813 CB LEU A 102 1.360 4.740 -12.049 1.00 0.00 C ATOM 814 CG LEU A 102 0.785 4.520 -10.648 1.00 0.00 C ATOM 815 CD1 LEU A 102 -0.468 5.369 -10.430 1.00 0.00 C ATOM 816 CD2 LEU A 102 0.524 3.036 -10.388 1.00 0.00 C ATOM 0 H LEU A 102 2.955 6.611 -11.810 1.00 0.00 H new ATOM 0 HA LEU A 102 3.164 3.878 -11.385 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.108 5.751 -12.369 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.863 4.055 -12.736 1.00 0.00 H new ATOM 0 HG LEU A 102 1.527 4.848 -9.920 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.856 5.194 -9.427 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.217 6.424 -10.543 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.225 5.096 -11.165 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.116 2.909 -9.385 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.189 2.658 -11.121 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.459 2.482 -10.472 1.00 0.00 H new ATOM 817 N GLU A 103 3.518 4.722 -14.507 1.00 0.00 N ATOM 818 CA GLU A 103 3.922 4.230 -15.813 1.00 0.00 C ATOM 819 C GLU A 103 5.325 3.626 -15.743 1.00 0.00 C ATOM 820 O GLU A 103 5.805 3.046 -16.716 1.00 0.00 O ATOM 821 CB GLU A 103 3.854 5.343 -16.862 1.00 0.00 C ATOM 822 CG GLU A 103 2.591 5.216 -17.716 1.00 0.00 C ATOM 823 CD GLU A 103 2.791 4.201 -18.843 1.00 0.00 C ATOM 824 OE1 GLU A 103 2.889 2.999 -18.514 1.00 0.00 O ATOM 825 OE2 GLU A 103 2.840 4.649 -20.009 1.00 0.00 O ATOM 0 H GLU A 103 3.432 5.736 -14.441 1.00 0.00 H new ATOM 0 HA GLU A 103 3.227 3.447 -16.116 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.867 6.314 -16.368 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.736 5.299 -17.502 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.754 4.909 -17.090 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.334 6.188 -18.138 1.00 0.00 H new ATOM 826 N HIS A 104 5.945 3.784 -14.584 1.00 0.00 N ATOM 827 CA HIS A 104 7.285 3.261 -14.374 1.00 0.00 C ATOM 828 C HIS A 104 7.353 2.553 -13.019 1.00 0.00 C ATOM 829 O HIS A 104 7.488 1.331 -12.960 1.00 0.00 O ATOM 830 CB HIS A 104 8.329 4.370 -14.516 1.00 0.00 C ATOM 831 CG HIS A 104 9.503 4.232 -13.576 1.00 0.00 C ATOM 832 ND1 HIS A 104 10.385 5.268 -13.321 1.00 0.00 N ATOM 833 CD2 HIS A 104 9.931 3.171 -12.834 1.00 0.00 C ATOM 834 CE1 HIS A 104 11.297 4.838 -12.461 1.00 0.00 C ATOM 835 NE2 HIS A 104 11.015 3.537 -12.163 1.00 0.00 N ATOM 0 H HIS A 104 5.545 4.267 -13.780 1.00 0.00 H new ATOM 0 HA HIS A 104 7.516 2.523 -15.143 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.697 4.379 -15.542 1.00 0.00 H new ATOM 0 HB3 HIS A 104 7.848 5.332 -14.341 1.00 0.00 H new ATOM 0 HD1 HIS A 104 10.341 6.203 -13.726 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.466 2.197 -12.799 1.00 0.00 H new ATOM 0 HE1 HIS A 104 12.119 5.416 -12.066 1.00 0.00 H new ATOM 836 N VAL A 105 7.257 3.349 -11.965 1.00 0.00 N ATOM 837 CA VAL A 105 7.306 2.813 -10.616 1.00 0.00 C ATOM 838 C VAL A 105 6.474 1.531 -10.550 1.00 0.00 C ATOM 839 O VAL A 105 6.863 0.567 -9.893 1.00 0.00 O ATOM 840 CB VAL A 105 6.848 3.875 -9.613 1.00 0.00 C ATOM 841 CG1 VAL A 105 5.330 3.836 -9.429 1.00 0.00 C ATOM 842 CG2 VAL A 105 7.567 3.711 -8.274 1.00 0.00 C ATOM 0 H VAL A 105 7.145 4.362 -12.018 1.00 0.00 H new ATOM 0 HA VAL A 105 8.329 2.551 -10.347 1.00 0.00 H new ATOM 0 HB VAL A 105 7.112 4.853 -10.016 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.031 4.600 -8.712 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.843 4.025 -10.385 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.033 2.855 -9.059 1.00 0.00 H new ATOM 0 HG21 VAL A 105 7.223 4.478 -7.580 1.00 0.00 H new ATOM 0 HG22 VAL A 105 7.349 2.725 -7.863 1.00 0.00 H new ATOM 0 HG23 VAL A 105 8.642 3.813 -8.423 1.00 0.00 H new ATOM 843 N LEU A 106 5.343 1.561 -11.240 1.00 0.00 N ATOM 844 CA LEU A 106 4.452 0.414 -11.269 1.00 0.00 C ATOM 845 C LEU A 106 4.961 -0.596 -12.299 1.00 0.00 C ATOM 846 O LEU A 106 4.879 -1.804 -12.083 1.00 0.00 O ATOM 847 CB LEU A 106 3.010 0.861 -11.507 1.00 0.00 C ATOM 848 CG LEU A 106 2.331 0.300 -12.758 1.00 0.00 C ATOM 849 CD1 LEU A 106 1.771 -1.101 -12.496 1.00 0.00 C ATOM 850 CD2 LEU A 106 1.258 1.258 -13.278 1.00 0.00 C ATOM 0 H LEU A 106 5.023 2.363 -11.784 1.00 0.00 H new ATOM 0 HA LEU A 106 4.449 -0.090 -10.302 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.415 0.579 -10.638 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.993 1.949 -11.566 1.00 0.00 H new ATOM 0 HG LEU A 106 3.083 0.206 -13.541 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.294 -1.477 -13.401 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.583 -1.770 -12.209 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.037 -1.055 -11.691 1.00 0.00 H new ATOM 0 HD21 LEU A 106 0.792 0.834 -14.167 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.501 1.409 -12.508 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.715 2.215 -13.529 1.00 0.00 H new ATOM 851 N LYS A 107 5.477 -0.064 -13.397 1.00 0.00 N ATOM 852 CA LYS A 107 6.000 -0.903 -14.462 1.00 0.00 C ATOM 853 C LYS A 107 7.058 -1.848 -13.888 1.00 0.00 C ATOM 854 O LYS A 107 7.180 -2.990 -14.328 1.00 0.00 O ATOM 855 CB LYS A 107 6.506 -0.044 -15.622 1.00 0.00 C ATOM 856 CG LYS A 107 6.934 -0.917 -16.804 1.00 0.00 C ATOM 857 CD LYS A 107 8.430 -1.232 -16.741 1.00 0.00 C ATOM 858 CE LYS A 107 9.022 -1.365 -18.145 1.00 0.00 C ATOM 859 NZ LYS A 107 10.316 -2.082 -18.096 1.00 0.00 N ATOM 0 H LYS A 107 5.544 0.939 -13.572 1.00 0.00 H new ATOM 0 HA LYS A 107 5.209 -1.526 -14.880 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.722 0.644 -15.938 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.348 0.563 -15.290 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.363 -1.845 -16.800 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.706 -0.406 -17.739 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.949 -0.443 -16.197 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.587 -2.157 -16.187 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.326 -1.902 -18.790 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.164 -0.376 -18.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.704 -2.164 -19.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.983 -1.554 -17.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.171 -3.032 -17.699 1.00 0.00 H new ATOM 860 N ILE A 108 7.796 -1.336 -12.914 1.00 0.00 N ATOM 861 CA ILE A 108 8.839 -2.120 -12.275 1.00 0.00 C ATOM 862 C ILE A 108 8.208 -3.058 -11.244 1.00 0.00 C ATOM 863 O ILE A 108 8.685 -4.173 -11.041 1.00 0.00 O ATOM 864 CB ILE A 108 9.917 -1.203 -11.693 1.00 0.00 C ATOM 865 CG1 ILE A 108 10.384 -0.179 -12.729 1.00 0.00 C ATOM 866 CG2 ILE A 108 11.082 -2.018 -11.127 1.00 0.00 C ATOM 867 CD1 ILE A 108 11.346 0.833 -12.105 1.00 0.00 C ATOM 0 H ILE A 108 7.692 -0.388 -12.552 1.00 0.00 H new ATOM 0 HA ILE A 108 9.347 -2.747 -13.008 1.00 0.00 H new ATOM 0 HB ILE A 108 9.481 -0.646 -10.864 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.876 -0.691 -13.556 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.522 0.342 -13.145 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.834 -1.343 -10.720 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.717 -2.674 -10.337 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.526 -2.619 -11.921 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.663 1.549 -12.863 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.843 1.361 -11.294 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.219 0.311 -11.712 1.00 0.00 H new ATOM 868 N ALA A 109 7.145 -2.572 -10.621 1.00 0.00 N ATOM 869 CA ALA A 109 6.443 -3.353 -9.617 1.00 0.00 C ATOM 870 C ALA A 109 6.369 -4.812 -10.072 1.00 0.00 C ATOM 871 O ALA A 109 6.334 -5.722 -9.246 1.00 0.00 O ATOM 872 CB ALA A 109 5.059 -2.747 -9.374 1.00 0.00 C ATOM 0 H ALA A 109 6.752 -1.646 -10.792 1.00 0.00 H new ATOM 0 HA ALA A 109 6.980 -3.330 -8.669 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.532 -3.333 -8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.168 -1.720 -9.024 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.490 -2.755 -10.304 1.00 0.00 H new ATOM 873 N LYS A 110 6.347 -4.988 -11.385 1.00 0.00 N ATOM 874 CA LYS A 110 6.277 -6.321 -11.959 1.00 0.00 C ATOM 875 C LYS A 110 4.810 -6.713 -12.153 1.00 0.00 C ATOM 876 O LYS A 110 4.505 -7.874 -12.420 1.00 0.00 O ATOM 877 CB LYS A 110 7.071 -7.314 -11.108 1.00 0.00 C ATOM 878 CG LYS A 110 7.480 -8.538 -11.930 1.00 0.00 C ATOM 879 CD LYS A 110 8.715 -8.237 -12.782 1.00 0.00 C ATOM 880 CE LYS A 110 8.944 -9.335 -13.823 1.00 0.00 C ATOM 881 NZ LYS A 110 10.345 -9.810 -13.777 1.00 0.00 N ATOM 0 H LYS A 110 6.376 -4.230 -12.067 1.00 0.00 H new ATOM 0 HA LYS A 110 6.744 -6.336 -12.944 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.960 -6.826 -10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.470 -7.629 -10.255 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.688 -9.375 -11.264 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.654 -8.841 -12.574 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.591 -7.277 -13.282 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.592 -8.151 -12.140 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.265 -10.168 -13.637 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.716 -8.954 -14.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.483 -10.555 -14.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.987 -9.017 -13.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.551 -10.193 -12.832 1.00 0.00 H new ATOM 882 N VAL A 111 3.943 -5.721 -12.011 1.00 0.00 N ATOM 883 CA VAL A 111 2.516 -5.948 -12.166 1.00 0.00 C ATOM 884 C VAL A 111 2.122 -5.703 -13.624 1.00 0.00 C ATOM 885 O VAL A 111 0.998 -5.290 -13.907 1.00 0.00 O ATOM 886 CB VAL A 111 1.737 -5.073 -11.182 1.00 0.00 C ATOM 887 CG1 VAL A 111 2.228 -5.289 -9.749 1.00 0.00 C ATOM 888 CG2 VAL A 111 1.822 -3.597 -11.574 1.00 0.00 C ATOM 0 H VAL A 111 4.201 -4.759 -11.791 1.00 0.00 H new ATOM 0 HA VAL A 111 2.265 -6.982 -11.930 1.00 0.00 H new ATOM 0 HB VAL A 111 0.689 -5.371 -11.226 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.658 -4.655 -9.070 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.091 -6.334 -9.471 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.285 -5.032 -9.684 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.260 -2.997 -10.858 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.865 -3.280 -11.573 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.402 -3.460 -12.571 1.00 0.00 H new ATOM 889 N PHE A 112 3.068 -5.971 -14.513 1.00 0.00 N ATOM 890 CA PHE A 112 2.833 -5.785 -15.935 1.00 0.00 C ATOM 891 C PHE A 112 3.244 -7.029 -16.725 1.00 0.00 C ATOM 892 O PHE A 112 4.392 -7.464 -16.652 1.00 0.00 O ATOM 893 CB PHE A 112 3.697 -4.604 -16.380 1.00 0.00 C ATOM 894 CG PHE A 112 2.934 -3.284 -16.501 1.00 0.00 C ATOM 895 CD1 PHE A 112 2.118 -2.875 -15.492 1.00 0.00 C ATOM 896 CD2 PHE A 112 3.070 -2.519 -17.617 1.00 0.00 C ATOM 897 CE1 PHE A 112 1.408 -1.650 -15.604 1.00 0.00 C ATOM 898 CE2 PHE A 112 2.360 -1.294 -17.729 1.00 0.00 C ATOM 899 CZ PHE A 112 1.544 -0.886 -16.720 1.00 0.00 C ATOM 0 H PHE A 112 3.998 -6.315 -14.276 1.00 0.00 H new ATOM 0 HA PHE A 112 1.773 -5.605 -16.117 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.513 -4.476 -15.669 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.148 -4.840 -17.344 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.010 -3.482 -14.605 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.718 -2.843 -18.418 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.760 -1.326 -14.803 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.468 -0.686 -18.615 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.004 0.045 -16.806 1.00 0.00 H new ATOM 900 N ASN A 113 2.284 -7.566 -17.463 1.00 0.00 N ATOM 901 CA ASN A 113 2.530 -8.751 -18.267 1.00 0.00 C ATOM 902 C ASN A 113 3.967 -8.715 -18.791 1.00 0.00 C ATOM 903 O ASN A 113 4.686 -9.711 -18.714 1.00 0.00 O ATOM 904 CB ASN A 113 1.589 -8.807 -19.470 1.00 0.00 C ATOM 905 CG ASN A 113 1.387 -7.415 -20.074 1.00 0.00 C ATOM 906 OD1 ASN A 113 2.326 -6.732 -20.451 1.00 0.00 O ATOM 907 ND2 ASN A 113 0.115 -7.036 -20.145 1.00 0.00 N ATOM 0 H ASN A 113 1.333 -7.202 -17.521 1.00 0.00 H new ATOM 0 HA ASN A 113 2.362 -9.626 -17.639 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.998 -9.479 -20.225 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.627 -9.218 -19.165 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.124 -6.124 -20.533 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.622 -7.657 -19.811 1.00 0.00 H new