USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 836 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 19 SER OG : rot 100:sc= -0.747 USER MOD Set 1.2: A 103 GLN : amide:sc= -4.52! C(o=-5.3!,f=-6.2!) USER MOD Set 2.1: A 1 LEU N :NH3+ -164:sc= -0.0107 (180deg=-0.427) USER MOD Set 2.2: A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 82 THR OG1 : rot 100:sc= -2.3 USER MOD Set 4.1: A 27 CYS SG : rot 128:sc= -3.31 USER MOD Set 4.2: A 66 CYS SG : rot 88:sc= 0.299 USER MOD Set 5.1: A 23 ASN : amide:sc= -4.62! C(o=-8.2!,f=-7.1!) USER MOD Set 5.2: A 28 THR OG1 : rot -160:sc= -3.62 USER MOD Set 6.1: A 5 ASN : amide:sc= -2.46 K(o=-2.5,f=-1.5!) USER MOD Set 6.2: A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -139:sc= -0.177 (180deg=-0.399) USER MOD Single : A 10 LYS NZ :NH3+ -144:sc= -7.09 (180deg=-10.5!) USER MOD Single : A 11 LYS NZ :NH3+ 143:sc= 0.0584 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 136:sc= -1.15 (180deg=-4.43!) USER MOD Single : A 21 SER OG : rot -89:sc= -4.74! USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 36 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.22) USER MOD Single : A 37 TYR OH : rot -101:sc= 0.575 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 148:sc= 1.24 (180deg=0.971) USER MOD Single : A 45 GLN : amide:sc= -0.819 K(o=-0.82,f=-2.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.267 X(o=-0.27,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.049) USER MOD Single : A 67 TYR OH : rot -89:sc= 0.912 USER MOD Single : A 71 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.386) USER MOD Single : A 74 ASN : amide:sc= -2.43! K(o=-2.4!,f=-1.3) USER MOD Single : A 76 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0707) USER MOD Single : A 79 MET CE :methyl 177:sc= -0.515 (180deg=-0.589) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 24:sc= 0.35 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 TYR OH : rot -106:sc= 1.71 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -1.455 -10.079 -14.028 1.00 0.00 N ATOM 2 CA LEU A 1 -1.062 -9.133 -12.952 1.00 0.00 C ATOM 3 C LEU A 1 -0.644 -7.783 -13.528 1.00 0.00 C ATOM 4 O LEU A 1 0.492 -7.610 -13.967 1.00 0.00 O ATOM 5 CB LEU A 1 0.093 -9.747 -12.159 1.00 0.00 C ATOM 6 CG LEU A 1 -0.325 -10.638 -10.988 1.00 0.00 C ATOM 7 CD1 LEU A 1 -0.346 -12.101 -11.411 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.610 -10.438 -9.804 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.982 -10.875 -13.615 1.00 0.00 H new ATOM 0 H2 LEU A 1 -2.056 -9.587 -14.720 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.602 -10.438 -14.503 1.00 0.00 H new ATOM 0 HA LEU A 1 -1.918 -8.961 -12.299 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.709 -10.334 -12.840 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.719 -8.941 -11.777 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.332 -10.354 -10.682 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.645 -12.720 -10.565 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -1.056 -12.234 -12.227 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.649 -12.398 -11.744 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.297 -11.080 -8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.628 -10.694 -10.097 1.00 0.00 H new ATOM 0 HD23 LEU A 1 0.576 -9.396 -9.485 1.00 0.00 H new ATOM 22 N GLU A 2 -1.568 -6.828 -13.519 1.00 0.00 N ATOM 23 CA GLU A 2 -1.292 -5.493 -14.037 1.00 0.00 C ATOM 24 C GLU A 2 -0.505 -4.675 -13.024 1.00 0.00 C ATOM 25 O GLU A 2 -0.523 -4.967 -11.829 1.00 0.00 O ATOM 26 CB GLU A 2 -2.597 -4.770 -14.380 1.00 0.00 C ATOM 27 CG GLU A 2 -2.523 -3.957 -15.661 1.00 0.00 C ATOM 28 CD GLU A 2 -2.882 -4.770 -16.888 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.075 -5.099 -17.055 1.00 0.00 O ATOM 30 OE2 GLU A 2 -1.969 -5.077 -17.685 1.00 0.00 O ATOM 0 H GLU A 2 -2.514 -6.954 -13.159 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.696 -5.600 -14.943 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.397 -5.505 -14.472 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.864 -4.109 -13.555 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.197 -3.104 -15.585 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.515 -3.558 -15.776 1.00 0.00 H new ATOM 37 N LYS A 3 0.174 -3.643 -13.508 1.00 0.00 N ATOM 38 CA LYS A 3 0.955 -2.777 -12.638 1.00 0.00 C ATOM 39 C LYS A 3 1.034 -1.366 -13.206 1.00 0.00 C ATOM 40 O LYS A 3 1.380 -1.169 -14.371 1.00 0.00 O ATOM 41 CB LYS A 3 2.368 -3.329 -12.443 1.00 0.00 C ATOM 42 CG LYS A 3 2.419 -4.830 -12.219 1.00 0.00 C ATOM 43 CD LYS A 3 3.846 -5.304 -11.994 1.00 0.00 C ATOM 44 CE LYS A 3 3.905 -6.446 -10.993 1.00 0.00 C ATOM 45 NZ LYS A 3 4.734 -7.579 -11.491 1.00 0.00 N ATOM 0 H LYS A 3 0.199 -3.387 -14.495 1.00 0.00 H new ATOM 0 HA LYS A 3 0.452 -2.743 -11.672 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.968 -3.082 -13.319 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.828 -2.829 -11.591 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.806 -5.093 -11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.994 -5.344 -13.081 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.276 -5.628 -12.942 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.454 -4.473 -11.635 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.316 -6.082 -10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.895 -6.799 -10.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.749 -8.337 -10.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.328 -7.943 -12.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.705 -7.249 -11.665 1.00 0.00 H new ATOM 59 N PHE A 4 0.721 -0.388 -12.367 1.00 0.00 N ATOM 60 CA PHE A 4 0.770 1.010 -12.765 1.00 0.00 C ATOM 61 C PHE A 4 1.407 1.837 -11.659 1.00 0.00 C ATOM 62 O PHE A 4 1.642 1.333 -10.563 1.00 0.00 O ATOM 63 CB PHE A 4 -0.636 1.529 -13.088 1.00 0.00 C ATOM 64 CG PHE A 4 -1.514 1.704 -11.881 1.00 0.00 C ATOM 65 CD1 PHE A 4 -1.967 0.604 -11.171 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.886 2.968 -11.458 1.00 0.00 C ATOM 67 CE1 PHE A 4 -2.774 0.762 -10.063 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.692 3.132 -10.351 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.138 2.029 -9.652 1.00 0.00 C ATOM 0 H PHE A 4 0.429 -0.540 -11.402 1.00 0.00 H new ATOM 0 HA PHE A 4 1.377 1.100 -13.666 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.550 2.485 -13.604 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.118 0.837 -13.778 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.685 -0.389 -11.489 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.541 3.836 -12.001 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.120 -0.104 -9.518 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.974 4.124 -10.031 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.770 2.156 -8.786 1.00 0.00 H new ATOM 79 N ASN A 5 1.693 3.100 -11.945 1.00 0.00 N ATOM 80 CA ASN A 5 2.314 3.971 -10.955 1.00 0.00 C ATOM 81 C ASN A 5 1.331 5.014 -10.444 1.00 0.00 C ATOM 82 O ASN A 5 0.595 5.628 -11.218 1.00 0.00 O ATOM 83 CB ASN A 5 3.546 4.658 -11.554 1.00 0.00 C ATOM 84 CG ASN A 5 4.814 4.349 -10.782 1.00 0.00 C ATOM 85 OD1 ASN A 5 5.858 4.065 -11.370 1.00 0.00 O ATOM 86 ND2 ASN A 5 4.729 4.403 -9.459 1.00 0.00 N ATOM 0 H ASN A 5 1.507 3.542 -12.845 1.00 0.00 H new ATOM 0 HA ASN A 5 2.622 3.354 -10.111 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.668 4.340 -12.589 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.386 5.736 -11.568 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.550 4.205 -8.887 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.843 4.643 -9.014 1.00 0.00 H new ATOM 93 N VAL A 6 1.330 5.212 -9.132 1.00 0.00 N ATOM 94 CA VAL A 6 0.449 6.182 -8.501 1.00 0.00 C ATOM 95 C VAL A 6 1.259 7.282 -7.840 1.00 0.00 C ATOM 96 O VAL A 6 1.876 7.068 -6.797 1.00 0.00 O ATOM 97 CB VAL A 6 -0.438 5.517 -7.434 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.529 6.466 -6.964 1.00 0.00 C ATOM 99 CG2 VAL A 6 -1.024 4.224 -7.960 1.00 0.00 C ATOM 0 H VAL A 6 1.934 4.709 -8.482 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.184 6.603 -9.282 1.00 0.00 H new ATOM 0 HB VAL A 6 0.184 5.279 -6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.142 5.971 -6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.074 7.358 -6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.154 6.750 -7.811 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.648 3.768 -7.191 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.629 4.431 -8.843 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.218 3.540 -8.225 1.00 0.00 H new ATOM 109 N ASP A 7 1.252 8.462 -8.440 1.00 0.00 N ATOM 110 CA ASP A 7 1.994 9.583 -7.888 1.00 0.00 C ATOM 111 C ASP A 7 1.047 10.642 -7.344 1.00 0.00 C ATOM 112 O ASP A 7 0.160 11.114 -8.055 1.00 0.00 O ATOM 113 CB ASP A 7 2.898 10.196 -8.959 1.00 0.00 C ATOM 114 CG ASP A 7 2.150 10.493 -10.244 1.00 0.00 C ATOM 115 OD1 ASP A 7 1.536 11.577 -10.336 1.00 0.00 O ATOM 116 OD2 ASP A 7 2.180 9.643 -11.158 1.00 0.00 O ATOM 0 H ASP A 7 0.746 8.667 -9.301 1.00 0.00 H new ATOM 0 HA ASP A 7 2.610 9.213 -7.068 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.338 11.117 -8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.721 9.514 -9.170 1.00 0.00 H new ATOM 121 N LEU A 8 1.251 11.030 -6.091 1.00 0.00 N ATOM 122 CA LEU A 8 0.418 12.057 -5.481 1.00 0.00 C ATOM 123 C LEU A 8 1.210 12.848 -4.458 1.00 0.00 C ATOM 124 O LEU A 8 2.182 12.355 -3.894 1.00 0.00 O ATOM 125 CB LEU A 8 -0.862 11.472 -4.852 1.00 0.00 C ATOM 126 CG LEU A 8 -0.701 10.288 -3.881 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.170 9.193 -4.473 1.00 0.00 C ATOM 128 CD2 LEU A 8 -0.157 10.752 -2.535 1.00 0.00 C ATOM 0 H LEU A 8 1.978 10.653 -5.483 1.00 0.00 H new ATOM 0 HA LEU A 8 0.102 12.732 -6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.373 12.275 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.520 11.156 -5.661 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.692 9.865 -3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.261 8.374 -3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.284 8.824 -5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.159 9.594 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.054 9.895 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.817 11.220 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.845 11.473 -2.094 1.00 0.00 H new ATOM 140 N MET A 9 0.805 14.084 -4.233 1.00 0.00 N ATOM 141 CA MET A 9 1.498 14.936 -3.283 1.00 0.00 C ATOM 142 C MET A 9 1.347 14.403 -1.870 1.00 0.00 C ATOM 143 O MET A 9 0.239 14.310 -1.341 1.00 0.00 O ATOM 144 CB MET A 9 0.976 16.367 -3.376 1.00 0.00 C ATOM 145 CG MET A 9 1.826 17.252 -4.274 1.00 0.00 C ATOM 146 SD MET A 9 2.775 18.480 -3.355 1.00 0.00 S ATOM 147 CE MET A 9 4.437 17.842 -3.561 1.00 0.00 C ATOM 0 H MET A 9 0.005 14.519 -4.692 1.00 0.00 H new ATOM 0 HA MET A 9 2.559 14.936 -3.532 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.046 16.351 -3.753 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.940 16.801 -2.377 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.510 16.627 -4.849 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.181 17.761 -4.990 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.982 17.937 -2.622 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.390 16.792 -3.849 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.951 18.409 -4.337 1.00 0.00 H new ATOM 157 N LYS A 10 2.471 14.043 -1.270 1.00 0.00 N ATOM 158 CA LYS A 10 2.475 13.504 0.076 1.00 0.00 C ATOM 159 C LYS A 10 2.904 14.548 1.096 1.00 0.00 C ATOM 160 O LYS A 10 3.951 15.180 0.956 1.00 0.00 O ATOM 161 CB LYS A 10 3.411 12.298 0.162 1.00 0.00 C ATOM 162 CG LYS A 10 2.726 11.034 0.653 1.00 0.00 C ATOM 163 CD LYS A 10 2.862 10.893 2.159 1.00 0.00 C ATOM 164 CE LYS A 10 1.511 10.895 2.841 1.00 0.00 C ATOM 165 NZ LYS A 10 1.162 12.233 3.380 1.00 0.00 N ATOM 0 H LYS A 10 3.394 14.116 -1.698 1.00 0.00 H new ATOM 0 HA LYS A 10 1.455 13.196 0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.840 12.110 -0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.238 12.537 0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.671 11.058 0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.163 10.165 0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.387 9.967 2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.469 11.711 2.549 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.746 10.579 2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.513 10.167 3.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.644 12.122 4.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.032 12.777 3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.565 12.738 2.695 1.00 0.00 H new ATOM 179 N LYS A 11 2.097 14.703 2.133 1.00 0.00 N ATOM 180 CA LYS A 11 2.399 15.645 3.203 1.00 0.00 C ATOM 181 C LYS A 11 2.535 14.904 4.533 1.00 0.00 C ATOM 182 O LYS A 11 1.709 15.053 5.435 1.00 0.00 O ATOM 183 CB LYS A 11 1.320 16.724 3.306 1.00 0.00 C ATOM 184 CG LYS A 11 0.783 17.180 1.959 1.00 0.00 C ATOM 185 CD LYS A 11 1.817 17.991 1.195 1.00 0.00 C ATOM 186 CE LYS A 11 1.308 18.395 -0.180 1.00 0.00 C ATOM 187 NZ LYS A 11 1.499 19.850 -0.435 1.00 0.00 N ATOM 0 H LYS A 11 1.225 14.188 2.258 1.00 0.00 H new ATOM 0 HA LYS A 11 3.345 16.134 2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.494 16.343 3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.729 17.585 3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.491 16.311 1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.115 17.780 2.108 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.074 18.884 1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.731 17.407 1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.831 17.820 -0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.250 18.147 -0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.753 19.997 -1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.616 20.358 -0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.261 20.212 0.174 1.00 0.00 H new ATOM 201 N ALA A 12 3.597 14.111 4.636 1.00 0.00 N ATOM 202 CA ALA A 12 3.892 13.332 5.838 1.00 0.00 C ATOM 203 C ALA A 12 2.669 12.595 6.395 1.00 0.00 C ATOM 204 O ALA A 12 2.071 13.027 7.380 1.00 0.00 O ATOM 205 CB ALA A 12 4.492 14.232 6.906 1.00 0.00 C ATOM 0 H ALA A 12 4.280 13.989 3.888 1.00 0.00 H new ATOM 0 HA ALA A 12 4.611 12.566 5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.709 13.644 7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.414 14.676 6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.784 15.022 7.156 1.00 0.00 H new ATOM 211 N GLY A 13 2.323 11.466 5.776 1.00 0.00 N ATOM 212 CA GLY A 13 1.199 10.662 6.234 1.00 0.00 C ATOM 213 C GLY A 13 -0.055 11.467 6.517 1.00 0.00 C ATOM 214 O GLY A 13 -0.189 12.066 7.584 1.00 0.00 O ATOM 0 H GLY A 13 2.806 11.092 4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.973 9.908 5.480 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.490 10.130 7.140 1.00 0.00 H new ATOM 218 N LYS A 14 -0.981 11.472 5.563 1.00 0.00 N ATOM 219 CA LYS A 14 -2.231 12.201 5.727 1.00 0.00 C ATOM 220 C LYS A 14 -3.352 11.626 4.849 1.00 0.00 C ATOM 221 O LYS A 14 -3.936 10.591 5.169 1.00 0.00 O ATOM 222 CB LYS A 14 -2.025 13.684 5.427 1.00 0.00 C ATOM 223 CG LYS A 14 -1.167 13.940 4.205 1.00 0.00 C ATOM 224 CD LYS A 14 -1.617 15.186 3.451 1.00 0.00 C ATOM 225 CE LYS A 14 -1.872 16.358 4.389 1.00 0.00 C ATOM 226 NZ LYS A 14 -1.903 17.659 3.662 1.00 0.00 N ATOM 0 H LYS A 14 -0.889 10.982 4.673 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.541 12.088 6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.997 14.156 5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.563 14.161 6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.126 14.054 4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.212 13.077 3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.856 15.464 2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.526 14.964 2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.820 16.209 4.906 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.094 16.388 5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.702 18.229 4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.014 18.172 3.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.014 17.485 2.643 1.00 0.00 H new ATOM 240 N GLU A 15 -3.659 12.321 3.753 1.00 0.00 N ATOM 241 CA GLU A 15 -4.714 11.924 2.831 1.00 0.00 C ATOM 242 C GLU A 15 -4.375 10.654 2.047 1.00 0.00 C ATOM 243 O GLU A 15 -5.211 10.156 1.296 1.00 0.00 O ATOM 244 CB GLU A 15 -5.027 13.072 1.876 1.00 0.00 C ATOM 245 CG GLU A 15 -6.022 14.074 2.441 1.00 0.00 C ATOM 246 CD GLU A 15 -5.856 15.458 1.844 1.00 0.00 C ATOM 247 OE1 GLU A 15 -6.370 15.690 0.730 1.00 0.00 O ATOM 248 OE2 GLU A 15 -5.212 16.310 2.490 1.00 0.00 O ATOM 0 H GLU A 15 -3.178 13.179 3.482 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.594 11.692 3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.101 13.591 1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.422 12.664 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.036 13.720 2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.900 14.132 3.523 1.00 0.00 H new ATOM 255 N LEU A 16 -3.155 10.130 2.194 1.00 0.00 N ATOM 256 CA LEU A 16 -2.774 8.921 1.458 1.00 0.00 C ATOM 257 C LEU A 16 -3.897 7.889 1.551 1.00 0.00 C ATOM 258 O LEU A 16 -4.167 7.154 0.603 1.00 0.00 O ATOM 259 CB LEU A 16 -1.474 8.333 2.016 1.00 0.00 C ATOM 260 CG LEU A 16 -0.230 8.569 1.155 1.00 0.00 C ATOM 261 CD1 LEU A 16 1.024 8.139 1.902 1.00 0.00 C ATOM 262 CD2 LEU A 16 -0.337 7.827 -0.166 1.00 0.00 C ATOM 0 H LEU A 16 -2.430 10.512 2.801 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.609 9.185 0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.298 8.756 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.607 7.259 2.148 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.162 9.636 0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.899 8.314 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.115 8.716 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.957 7.078 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.558 8.010 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.434 6.758 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.212 8.179 -0.711 1.00 0.00 H new ATOM 274 N GLY A 17 -4.573 7.895 2.696 1.00 0.00 N ATOM 275 CA GLY A 17 -5.706 7.015 2.938 1.00 0.00 C ATOM 276 C GLY A 17 -5.700 5.719 2.144 1.00 0.00 C ATOM 277 O GLY A 17 -6.619 5.462 1.366 1.00 0.00 O ATOM 0 H GLY A 17 -4.350 8.509 3.479 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.736 6.772 4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.623 7.558 2.709 1.00 0.00 H new ATOM 281 N LEU A 18 -4.691 4.890 2.362 1.00 0.00 N ATOM 282 CA LEU A 18 -4.609 3.605 1.682 1.00 0.00 C ATOM 283 C LEU A 18 -4.045 2.551 2.626 1.00 0.00 C ATOM 284 O LEU A 18 -2.833 2.374 2.727 1.00 0.00 O ATOM 285 CB LEU A 18 -3.753 3.704 0.419 1.00 0.00 C ATOM 286 CG LEU A 18 -2.412 4.422 0.587 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.266 3.422 0.600 1.00 0.00 C ATOM 288 CD2 LEU A 18 -2.212 5.444 -0.523 1.00 0.00 C ATOM 0 H LEU A 18 -3.920 5.082 3.002 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.615 3.311 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.562 2.696 0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.328 4.221 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.422 4.946 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.321 3.953 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.400 2.726 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.255 2.869 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.253 5.945 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.225 4.939 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.015 6.181 -0.488 1.00 0.00 H new ATOM 300 N SER A 19 -4.940 1.859 3.323 1.00 0.00 N ATOM 301 CA SER A 19 -4.537 0.827 4.269 1.00 0.00 C ATOM 302 C SER A 19 -3.801 -0.301 3.557 1.00 0.00 C ATOM 303 O SER A 19 -4.361 -0.971 2.689 1.00 0.00 O ATOM 304 CB SER A 19 -5.760 0.280 5.009 1.00 0.00 C ATOM 305 OG SER A 19 -5.521 -1.028 5.501 1.00 0.00 O ATOM 0 H SER A 19 -5.948 1.995 3.250 1.00 0.00 H new ATOM 0 HA SER A 19 -3.858 1.273 4.995 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.013 0.942 5.837 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.619 0.267 4.338 1.00 0.00 H new ATOM 0 HG SER A 19 -5.298 -0.983 6.454 1.00 0.00 H new ATOM 311 N LEU A 20 -2.540 -0.494 3.927 1.00 0.00 N ATOM 312 CA LEU A 20 -1.712 -1.530 3.321 1.00 0.00 C ATOM 313 C LEU A 20 -1.677 -2.790 4.180 1.00 0.00 C ATOM 314 O LEU A 20 -2.099 -2.782 5.336 1.00 0.00 O ATOM 315 CB LEU A 20 -0.289 -1.009 3.113 1.00 0.00 C ATOM 316 CG LEU A 20 -0.199 0.412 2.562 1.00 0.00 C ATOM 317 CD1 LEU A 20 1.254 0.849 2.454 1.00 0.00 C ATOM 318 CD2 LEU A 20 -0.889 0.500 1.211 1.00 0.00 C ATOM 0 H LEU A 20 -2.068 0.055 4.645 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.153 -1.787 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.239 -1.048 4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.232 -1.681 2.431 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.708 1.086 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.300 1.864 2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.716 0.822 3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.788 0.175 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.816 1.519 0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.408 -0.183 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.939 0.227 1.320 1.00 0.00 H new ATOM 330 N SER A 21 -1.165 -3.870 3.598 1.00 0.00 N ATOM 331 CA SER A 21 -1.060 -5.147 4.295 1.00 0.00 C ATOM 332 C SER A 21 0.245 -5.849 3.928 1.00 0.00 C ATOM 333 O SER A 21 0.822 -5.585 2.875 1.00 0.00 O ATOM 334 CB SER A 21 -2.251 -6.043 3.949 1.00 0.00 C ATOM 335 OG SER A 21 -3.472 -5.450 4.356 1.00 0.00 O ATOM 0 H SER A 21 -0.815 -3.886 2.640 1.00 0.00 H new ATOM 0 HA SER A 21 -1.065 -4.954 5.368 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.272 -6.226 2.875 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.134 -7.012 4.435 1.00 0.00 H new ATOM 0 HG SER A 21 -3.674 -5.716 5.277 1.00 0.00 H new ATOM 341 N PRO A 22 0.733 -6.754 4.793 1.00 0.00 N ATOM 342 CA PRO A 22 1.980 -7.486 4.547 1.00 0.00 C ATOM 343 C PRO A 22 1.866 -8.452 3.370 1.00 0.00 C ATOM 344 O PRO A 22 1.059 -9.382 3.393 1.00 0.00 O ATOM 345 CB PRO A 22 2.210 -8.255 5.851 1.00 0.00 C ATOM 346 CG PRO A 22 0.861 -8.372 6.472 1.00 0.00 C ATOM 347 CD PRO A 22 0.113 -7.129 6.076 1.00 0.00 C ATOM 0 HA PRO A 22 2.798 -6.815 4.285 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.643 -9.237 5.659 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.901 -7.724 6.506 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.346 -9.266 6.120 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.936 -8.453 7.556 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.955 -7.320 5.966 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.221 -6.340 6.821 1.00 0.00 H new ATOM 355 N ASN A 23 2.682 -8.226 2.343 1.00 0.00 N ATOM 356 CA ASN A 23 2.675 -9.078 1.157 1.00 0.00 C ATOM 357 C ASN A 23 4.084 -9.552 0.814 1.00 0.00 C ATOM 358 O ASN A 23 5.074 -8.988 1.282 1.00 0.00 O ATOM 359 CB ASN A 23 2.066 -8.334 -0.035 1.00 0.00 C ATOM 360 CG ASN A 23 0.921 -9.101 -0.667 1.00 0.00 C ATOM 361 OD1 ASN A 23 0.836 -9.216 -1.890 1.00 0.00 O ATOM 362 ND2 ASN A 23 0.032 -9.628 0.166 1.00 0.00 N ATOM 0 H ASN A 23 3.356 -7.461 2.308 1.00 0.00 H new ATOM 0 HA ASN A 23 2.063 -9.953 1.377 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.709 -7.357 0.293 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.839 -8.157 -0.783 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.762 -10.154 -0.201 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.142 -9.507 1.173 1.00 0.00 H new ATOM 369 N GLU A 24 4.166 -10.595 -0.006 1.00 0.00 N ATOM 370 CA GLU A 24 5.449 -11.158 -0.415 1.00 0.00 C ATOM 371 C GLU A 24 6.089 -10.336 -1.531 1.00 0.00 C ATOM 372 O GLU A 24 7.307 -10.357 -1.711 1.00 0.00 O ATOM 373 CB GLU A 24 5.260 -12.600 -0.889 1.00 0.00 C ATOM 374 CG GLU A 24 4.215 -12.747 -1.984 1.00 0.00 C ATOM 375 CD GLU A 24 2.996 -13.526 -1.528 1.00 0.00 C ATOM 376 OE1 GLU A 24 3.143 -14.723 -1.204 1.00 0.00 O ATOM 377 OE2 GLU A 24 1.894 -12.939 -1.495 1.00 0.00 O ATOM 0 H GLU A 24 3.355 -11.070 -0.402 1.00 0.00 H new ATOM 0 HA GLU A 24 6.112 -11.137 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.213 -12.982 -1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.973 -13.219 -0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.904 -11.758 -2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.662 -13.249 -2.842 1.00 0.00 H new ATOM 384 N ILE A 25 5.261 -9.623 -2.285 1.00 0.00 N ATOM 385 CA ILE A 25 5.745 -8.804 -3.392 1.00 0.00 C ATOM 386 C ILE A 25 5.648 -7.313 -3.083 1.00 0.00 C ATOM 387 O ILE A 25 6.173 -6.484 -3.826 1.00 0.00 O ATOM 388 CB ILE A 25 4.962 -9.104 -4.681 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.458 -8.930 -4.442 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.282 -10.512 -5.165 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.589 -9.506 -5.538 1.00 0.00 C ATOM 0 H ILE A 25 4.250 -9.595 -2.151 1.00 0.00 H new ATOM 0 HA ILE A 25 6.795 -9.061 -3.534 1.00 0.00 H new ATOM 0 HB ILE A 25 5.262 -8.398 -5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.194 -9.404 -3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.238 -7.868 -4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.724 -10.718 -6.078 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.350 -10.594 -5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.001 -11.233 -4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.539 -9.342 -5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.823 -9.016 -6.483 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.778 -10.576 -5.628 1.00 0.00 H new ATOM 403 N GLY A 26 4.978 -6.978 -1.988 1.00 0.00 N ATOM 404 CA GLY A 26 4.833 -5.587 -1.608 1.00 0.00 C ATOM 405 C GLY A 26 3.868 -5.408 -0.456 1.00 0.00 C ATOM 406 O GLY A 26 4.062 -5.981 0.617 1.00 0.00 O ATOM 0 H GLY A 26 4.533 -7.644 -1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.807 -5.184 -1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.483 -5.012 -2.466 1.00 0.00 H new ATOM 410 N CYS A 27 2.826 -4.614 -0.672 1.00 0.00 N ATOM 411 CA CYS A 27 1.837 -4.373 0.368 1.00 0.00 C ATOM 412 C CYS A 27 0.427 -4.332 -0.205 1.00 0.00 C ATOM 413 O CYS A 27 0.037 -3.359 -0.853 1.00 0.00 O ATOM 414 CB CYS A 27 2.140 -3.067 1.099 1.00 0.00 C ATOM 415 SG CYS A 27 3.883 -2.847 1.516 1.00 0.00 S ATOM 0 H CYS A 27 2.646 -4.130 -1.552 1.00 0.00 H new ATOM 0 HA CYS A 27 1.893 -5.201 1.075 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.817 -2.231 0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.550 -3.030 2.015 1.00 0.00 H new ATOM 0 HG CYS A 27 4.289 -1.689 1.086 1.00 0.00 H new ATOM 421 N THR A 28 -0.339 -5.385 0.049 1.00 0.00 N ATOM 422 CA THR A 28 -1.712 -5.462 -0.431 1.00 0.00 C ATOM 423 C THR A 28 -2.585 -4.448 0.297 1.00 0.00 C ATOM 424 O THR A 28 -2.631 -4.426 1.527 1.00 0.00 O ATOM 425 CB THR A 28 -2.271 -6.872 -0.224 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.496 -7.829 -0.924 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.707 -7.020 -0.680 1.00 0.00 C ATOM 0 H THR A 28 -0.033 -6.197 0.585 1.00 0.00 H new ATOM 0 HA THR A 28 -1.717 -5.233 -1.497 1.00 0.00 H new ATOM 0 HB THR A 28 -2.229 -7.043 0.852 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.021 -8.647 -1.049 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.041 -8.043 -0.505 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.339 -6.331 -0.120 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.776 -6.793 -1.744 1.00 0.00 H new ATOM 435 N ILE A 29 -3.278 -3.610 -0.466 1.00 0.00 N ATOM 436 CA ILE A 29 -4.150 -2.600 0.118 1.00 0.00 C ATOM 437 C ILE A 29 -5.345 -3.253 0.802 1.00 0.00 C ATOM 438 O ILE A 29 -6.274 -3.718 0.142 1.00 0.00 O ATOM 439 CB ILE A 29 -4.655 -1.608 -0.949 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.475 -0.992 -1.704 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.504 -0.518 -0.307 1.00 0.00 C ATOM 442 CD1 ILE A 29 -3.867 -0.350 -3.017 1.00 0.00 C ATOM 0 H ILE A 29 -3.253 -3.610 -1.486 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.563 -2.052 0.855 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.276 -2.153 -1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.000 -0.243 -1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.732 -1.766 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.851 0.173 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.363 -0.970 0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.906 0.025 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.981 0.066 -3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.315 -1.100 -3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.587 0.447 -2.832 1.00 0.00 H new ATOM 454 N ALA A 30 -5.313 -3.284 2.128 1.00 0.00 N ATOM 455 CA ALA A 30 -6.395 -3.879 2.902 1.00 0.00 C ATOM 456 C ALA A 30 -7.652 -3.020 2.832 1.00 0.00 C ATOM 457 O ALA A 30 -8.769 -3.530 2.929 1.00 0.00 O ATOM 458 CB ALA A 30 -5.962 -4.078 4.348 1.00 0.00 C ATOM 0 H ALA A 30 -4.551 -2.905 2.690 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.629 -4.852 2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.780 -4.523 4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.096 -4.739 4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.700 -3.115 4.785 1.00 0.00 H new ATOM 464 N ASP A 31 -7.465 -1.715 2.661 1.00 0.00 N ATOM 465 CA ASP A 31 -8.590 -0.789 2.574 1.00 0.00 C ATOM 466 C ASP A 31 -8.163 0.532 1.949 1.00 0.00 C ATOM 467 O ASP A 31 -6.976 0.786 1.751 1.00 0.00 O ATOM 468 CB ASP A 31 -9.179 -0.531 3.960 1.00 0.00 C ATOM 469 CG ASP A 31 -10.395 -1.394 4.247 1.00 0.00 C ATOM 470 OD1 ASP A 31 -10.794 -2.174 3.357 1.00 0.00 O ATOM 471 OD2 ASP A 31 -10.949 -1.287 5.360 1.00 0.00 O ATOM 0 H ASP A 31 -6.548 -1.275 2.580 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.349 -1.247 1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.417 -0.721 4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.456 0.520 4.043 1.00 0.00 H new ATOM 476 N LEU A 32 -9.146 1.373 1.647 1.00 0.00 N ATOM 477 CA LEU A 32 -8.884 2.664 1.052 1.00 0.00 C ATOM 478 C LEU A 32 -9.982 3.664 1.387 1.00 0.00 C ATOM 479 O LEU A 32 -11.165 3.406 1.165 1.00 0.00 O ATOM 480 CB LEU A 32 -8.743 2.523 -0.461 1.00 0.00 C ATOM 481 CG LEU A 32 -7.455 3.108 -1.019 1.00 0.00 C ATOM 482 CD1 LEU A 32 -6.665 2.056 -1.784 1.00 0.00 C ATOM 483 CD2 LEU A 32 -7.747 4.311 -1.904 1.00 0.00 C ATOM 0 H LEU A 32 -10.134 1.176 1.808 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.950 3.043 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.794 1.466 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.590 3.012 -0.942 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.846 3.442 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.749 2.500 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.414 1.232 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.266 1.681 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.811 4.713 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.383 4.006 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.257 5.077 -1.320 1.00 0.00 H new ATOM 495 N ILE A 33 -9.576 4.816 1.910 1.00 0.00 N ATOM 496 CA ILE A 33 -10.517 5.869 2.261 1.00 0.00 C ATOM 497 C ILE A 33 -10.603 6.891 1.138 1.00 0.00 C ATOM 498 O ILE A 33 -9.734 7.750 0.994 1.00 0.00 O ATOM 499 CB ILE A 33 -10.123 6.580 3.575 1.00 0.00 C ATOM 500 CG1 ILE A 33 -8.666 7.043 3.530 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.361 5.676 4.765 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.139 7.528 4.862 1.00 0.00 C ATOM 0 H ILE A 33 -8.600 5.043 2.100 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.489 5.399 2.410 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.754 7.462 3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.043 6.219 3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.572 7.845 2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.077 6.196 5.680 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.416 5.408 4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.761 4.772 4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.100 7.839 4.751 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.737 8.373 5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.200 6.722 5.593 1.00 0.00 H new ATOM 514 N GLN A 34 -11.650 6.782 0.332 1.00 0.00 N ATOM 515 CA GLN A 34 -11.846 7.686 -0.793 1.00 0.00 C ATOM 516 C GLN A 34 -12.202 9.088 -0.313 1.00 0.00 C ATOM 517 O GLN A 34 -12.745 9.265 0.777 1.00 0.00 O ATOM 518 CB GLN A 34 -12.932 7.142 -1.719 1.00 0.00 C ATOM 519 CG GLN A 34 -12.602 5.768 -2.285 1.00 0.00 C ATOM 520 CD GLN A 34 -13.712 5.212 -3.154 1.00 0.00 C ATOM 521 OE1 GLN A 34 -14.840 5.706 -3.134 1.00 0.00 O ATOM 522 NE2 GLN A 34 -13.398 4.175 -3.923 1.00 0.00 N ATOM 0 H GLN A 34 -12.378 6.075 0.436 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.911 7.752 -1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.873 7.086 -1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.083 7.841 -2.542 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.685 5.831 -2.871 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.409 5.078 -1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.451 3.797 -3.908 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.104 3.757 -4.528 1.00 0.00 H new ATOM 531 N GLY A 35 -11.872 10.083 -1.131 1.00 0.00 N ATOM 532 CA GLY A 35 -12.145 11.461 -0.769 1.00 0.00 C ATOM 533 C GLY A 35 -10.927 12.136 -0.167 1.00 0.00 C ATOM 534 O GLY A 35 -10.815 13.362 -0.176 1.00 0.00 O ATOM 0 H GLY A 35 -11.421 9.959 -2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.467 12.012 -1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.969 11.493 -0.056 1.00 0.00 H new ATOM 538 N GLN A 36 -10.012 11.324 0.356 1.00 0.00 N ATOM 539 CA GLN A 36 -8.787 11.828 0.966 1.00 0.00 C ATOM 540 C GLN A 36 -7.853 12.406 -0.090 1.00 0.00 C ATOM 541 O GLN A 36 -7.299 13.491 0.084 1.00 0.00 O ATOM 542 CB GLN A 36 -8.094 10.702 1.739 1.00 0.00 C ATOM 543 CG GLN A 36 -8.514 10.610 3.198 1.00 0.00 C ATOM 544 CD GLN A 36 -10.019 10.641 3.381 1.00 0.00 C ATOM 545 OE1 GLN A 36 -10.543 11.435 4.162 1.00 0.00 O ATOM 546 NE2 GLN A 36 -10.721 9.775 2.659 1.00 0.00 N ATOM 0 H GLN A 36 -10.098 10.308 0.369 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.045 12.629 1.659 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.308 9.752 1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.015 10.851 1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.120 9.689 3.627 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.068 11.436 3.752 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.244 9.135 2.024 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.738 9.750 2.739 1.00 0.00 H new ATOM 555 N TYR A 37 -7.689 11.683 -1.189 1.00 0.00 N ATOM 556 CA TYR A 37 -6.827 12.136 -2.274 1.00 0.00 C ATOM 557 C TYR A 37 -7.446 11.800 -3.630 1.00 0.00 C ATOM 558 O TYR A 37 -8.022 10.726 -3.810 1.00 0.00 O ATOM 559 CB TYR A 37 -5.443 11.499 -2.154 1.00 0.00 C ATOM 560 CG TYR A 37 -4.428 12.343 -1.406 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.382 13.724 -1.556 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.495 11.748 -0.563 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.443 14.485 -0.888 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.550 12.502 0.105 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.527 13.869 -0.061 1.00 0.00 C ATOM 566 OH TYR A 37 -1.587 14.624 0.602 1.00 0.00 O ATOM 0 H TYR A 37 -8.140 10.783 -1.354 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.723 13.219 -2.200 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.541 10.538 -1.649 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.062 11.296 -3.155 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.093 14.211 -2.207 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.510 10.677 -0.428 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.426 15.558 -1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.833 12.022 0.754 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.729 14.564 0.133 1.00 0.00 H new ATOM 576 N PRO A 38 -7.344 12.724 -4.602 1.00 0.00 N ATOM 577 CA PRO A 38 -7.906 12.527 -5.943 1.00 0.00 C ATOM 578 C PRO A 38 -7.167 11.462 -6.748 1.00 0.00 C ATOM 579 O PRO A 38 -7.787 10.567 -7.323 1.00 0.00 O ATOM 580 CB PRO A 38 -7.743 13.898 -6.601 1.00 0.00 C ATOM 581 CG PRO A 38 -6.609 14.538 -5.880 1.00 0.00 C ATOM 582 CD PRO A 38 -6.679 14.034 -4.467 1.00 0.00 C ATOM 0 HA PRO A 38 -8.937 12.175 -5.897 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.530 13.802 -7.666 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.653 14.490 -6.510 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.656 14.276 -6.341 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.690 15.625 -5.911 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.687 13.937 -4.026 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.248 14.709 -3.828 1.00 0.00 H new ATOM 590 N GLU A 39 -5.842 11.563 -6.790 1.00 0.00 N ATOM 591 CA GLU A 39 -5.029 10.607 -7.535 1.00 0.00 C ATOM 592 C GLU A 39 -5.226 9.193 -7.000 1.00 0.00 C ATOM 593 O GLU A 39 -5.489 8.264 -7.760 1.00 0.00 O ATOM 594 CB GLU A 39 -3.550 10.992 -7.458 1.00 0.00 C ATOM 595 CG GLU A 39 -3.164 12.112 -8.409 1.00 0.00 C ATOM 596 CD GLU A 39 -3.919 13.398 -8.135 1.00 0.00 C ATOM 597 OE1 GLU A 39 -3.549 14.113 -7.181 1.00 0.00 O ATOM 598 OE2 GLU A 39 -4.885 13.688 -8.873 1.00 0.00 O ATOM 0 H GLU A 39 -5.310 12.294 -6.319 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.349 10.631 -8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.315 11.295 -6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.942 10.114 -7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.093 12.300 -8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.355 11.795 -9.434 1.00 0.00 H new ATOM 605 N ILE A 40 -5.094 9.039 -5.688 1.00 0.00 N ATOM 606 CA ILE A 40 -5.258 7.736 -5.052 1.00 0.00 C ATOM 607 C ILE A 40 -6.616 7.133 -5.385 1.00 0.00 C ATOM 608 O ILE A 40 -6.704 5.993 -5.844 1.00 0.00 O ATOM 609 CB ILE A 40 -5.110 7.833 -3.523 1.00 0.00 C ATOM 610 CG1 ILE A 40 -3.878 8.669 -3.161 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.020 6.438 -2.917 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.480 8.569 -1.707 1.00 0.00 C ATOM 0 H ILE A 40 -4.874 9.799 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.471 7.091 -5.442 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.989 8.329 -3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.039 8.351 -3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.075 9.713 -3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.915 6.517 -1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.925 5.879 -3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.155 5.918 -3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.601 9.187 -1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.302 8.915 -1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.250 7.532 -1.463 1.00 0.00 H new ATOM 624 N ASP A 41 -7.674 7.904 -5.159 1.00 0.00 N ATOM 625 CA ASP A 41 -9.028 7.446 -5.445 1.00 0.00 C ATOM 626 C ASP A 41 -9.173 7.089 -6.922 1.00 0.00 C ATOM 627 O ASP A 41 -9.960 6.216 -7.287 1.00 0.00 O ATOM 628 CB ASP A 41 -10.047 8.523 -5.065 1.00 0.00 C ATOM 629 CG ASP A 41 -11.475 8.020 -5.149 1.00 0.00 C ATOM 630 OD1 ASP A 41 -11.674 6.788 -5.124 1.00 0.00 O ATOM 631 OD2 ASP A 41 -12.394 8.862 -5.237 1.00 0.00 O ATOM 0 H ASP A 41 -7.620 8.849 -4.779 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.219 6.553 -4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.845 8.869 -4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.927 9.382 -5.725 1.00 0.00 H new ATOM 636 N SER A 42 -8.406 7.775 -7.765 1.00 0.00 N ATOM 637 CA SER A 42 -8.441 7.539 -9.204 1.00 0.00 C ATOM 638 C SER A 42 -7.326 6.591 -9.636 1.00 0.00 C ATOM 639 O SER A 42 -7.176 6.297 -10.822 1.00 0.00 O ATOM 640 CB SER A 42 -8.305 8.862 -9.954 1.00 0.00 C ATOM 641 OG SER A 42 -9.548 9.535 -10.037 1.00 0.00 O ATOM 0 H SER A 42 -7.751 8.501 -7.474 1.00 0.00 H new ATOM 0 HA SER A 42 -9.398 7.077 -9.445 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.578 9.497 -9.447 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.922 8.676 -10.957 1.00 0.00 H new ATOM 0 HG SER A 42 -9.431 10.379 -10.520 1.00 0.00 H new ATOM 647 N LYS A 43 -6.532 6.130 -8.675 1.00 0.00 N ATOM 648 CA LYS A 43 -5.423 5.235 -8.967 1.00 0.00 C ATOM 649 C LYS A 43 -5.482 3.975 -8.114 1.00 0.00 C ATOM 650 O LYS A 43 -5.808 2.895 -8.605 1.00 0.00 O ATOM 651 CB LYS A 43 -4.099 5.963 -8.731 1.00 0.00 C ATOM 652 CG LYS A 43 -3.773 6.981 -9.811 1.00 0.00 C ATOM 653 CD LYS A 43 -2.481 6.644 -10.540 1.00 0.00 C ATOM 654 CE LYS A 43 -2.748 6.209 -11.972 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.547 6.373 -12.837 1.00 0.00 N ATOM 0 H LYS A 43 -6.638 6.363 -7.688 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.497 4.934 -10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.137 6.467 -7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.294 5.230 -8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.593 7.024 -10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.689 7.971 -9.363 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.824 7.514 -10.539 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.958 5.849 -10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.062 5.165 -11.981 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.572 6.794 -12.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.544 5.635 -13.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.570 7.310 -13.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.688 6.289 -12.257 1.00 0.00 H new ATOM 669 N LEU A 44 -5.154 4.120 -6.837 1.00 0.00 N ATOM 670 CA LEU A 44 -5.154 2.989 -5.915 1.00 0.00 C ATOM 671 C LEU A 44 -6.571 2.551 -5.566 1.00 0.00 C ATOM 672 O LEU A 44 -7.482 3.373 -5.462 1.00 0.00 O ATOM 673 CB LEU A 44 -4.385 3.346 -4.642 1.00 0.00 C ATOM 674 CG LEU A 44 -2.906 3.678 -4.855 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.192 3.824 -3.520 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.235 2.611 -5.706 1.00 0.00 C ATOM 0 H LEU A 44 -4.884 5.009 -6.415 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.660 2.154 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.870 4.200 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.458 2.512 -3.944 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.842 4.629 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.142 4.060 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.655 4.627 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.267 2.890 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.184 2.865 -5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.311 1.646 -5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.728 2.557 -6.677 1.00 0.00 H new ATOM 688 N GLN A 45 -6.744 1.246 -5.382 1.00 0.00 N ATOM 689 CA GLN A 45 -8.043 0.680 -5.040 1.00 0.00 C ATOM 690 C GLN A 45 -7.875 -0.576 -4.191 1.00 0.00 C ATOM 691 O GLN A 45 -6.808 -1.193 -4.184 1.00 0.00 O ATOM 692 CB GLN A 45 -8.832 0.355 -6.310 1.00 0.00 C ATOM 693 CG GLN A 45 -10.319 0.148 -6.064 1.00 0.00 C ATOM 694 CD GLN A 45 -10.684 -1.316 -5.908 1.00 0.00 C ATOM 695 OE1 GLN A 45 -10.054 -2.192 -6.500 1.00 0.00 O ATOM 696 NE2 GLN A 45 -11.709 -1.588 -5.108 1.00 0.00 N ATOM 0 H GLN A 45 -5.996 0.558 -5.465 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.597 1.419 -4.461 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.700 1.165 -7.028 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.418 -0.545 -6.765 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.614 0.690 -5.166 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.884 0.574 -6.893 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.203 -0.830 -4.637 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.002 -2.555 -4.965 1.00 0.00 H new ATOM 705 N ARG A 46 -8.930 -0.950 -3.475 1.00 0.00 N ATOM 706 CA ARG A 46 -8.893 -2.131 -2.620 1.00 0.00 C ATOM 707 C ARG A 46 -8.620 -3.392 -3.437 1.00 0.00 C ATOM 708 O ARG A 46 -9.476 -3.849 -4.195 1.00 0.00 O ATOM 709 CB ARG A 46 -10.215 -2.279 -1.864 1.00 0.00 C ATOM 710 CG ARG A 46 -10.225 -1.582 -0.513 1.00 0.00 C ATOM 711 CD ARG A 46 -11.617 -1.572 0.100 1.00 0.00 C ATOM 712 NE ARG A 46 -12.272 -0.275 -0.052 1.00 0.00 N ATOM 713 CZ ARG A 46 -13.584 -0.088 0.071 1.00 0.00 C ATOM 714 NH1 ARG A 46 -14.385 -1.110 0.343 1.00 0.00 N ATOM 715 NH2 ARG A 46 -14.096 1.126 -0.081 1.00 0.00 N ATOM 0 H ARG A 46 -9.821 -0.453 -3.470 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.081 -2.002 -1.904 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.021 -1.877 -2.477 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.424 -3.339 -1.718 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.533 -2.085 0.162 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.870 -0.558 -0.628 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.226 -2.343 -0.371 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.549 -1.822 1.159 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.690 0.535 -0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.996 -2.046 0.459 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.390 -0.960 0.436 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.484 1.915 -0.292 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.101 1.271 0.013 1.00 0.00 H new ATOM 729 N GLY A 47 -7.425 -3.953 -3.274 1.00 0.00 N ATOM 730 CA GLY A 47 -7.067 -5.158 -4.000 1.00 0.00 C ATOM 731 C GLY A 47 -5.697 -5.073 -4.652 1.00 0.00 C ATOM 732 O GLY A 47 -5.121 -6.093 -5.028 1.00 0.00 O ATOM 0 H GLY A 47 -6.699 -3.595 -2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.086 -6.007 -3.316 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.817 -5.350 -4.767 1.00 0.00 H new ATOM 736 N ASP A 48 -5.178 -3.857 -4.792 1.00 0.00 N ATOM 737 CA ASP A 48 -3.870 -3.654 -5.409 1.00 0.00 C ATOM 738 C ASP A 48 -2.747 -3.851 -4.395 1.00 0.00 C ATOM 739 O ASP A 48 -2.911 -3.577 -3.207 1.00 0.00 O ATOM 740 CB ASP A 48 -3.784 -2.254 -6.018 1.00 0.00 C ATOM 741 CG ASP A 48 -4.929 -1.964 -6.966 1.00 0.00 C ATOM 742 OD1 ASP A 48 -6.075 -1.819 -6.488 1.00 0.00 O ATOM 743 OD2 ASP A 48 -4.682 -1.883 -8.188 1.00 0.00 O ATOM 0 H ASP A 48 -5.640 -3.000 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.751 -4.396 -6.199 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.781 -1.513 -5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.839 -2.151 -6.552 1.00 0.00 H new ATOM 748 N ILE A 49 -1.602 -4.328 -4.876 1.00 0.00 N ATOM 749 CA ILE A 49 -0.445 -4.562 -4.018 1.00 0.00 C ATOM 750 C ILE A 49 0.740 -3.717 -4.473 1.00 0.00 C ATOM 751 O ILE A 49 1.230 -3.873 -5.589 1.00 0.00 O ATOM 752 CB ILE A 49 -0.021 -6.047 -4.019 1.00 0.00 C ATOM 753 CG1 ILE A 49 -1.250 -6.964 -4.017 1.00 0.00 C ATOM 754 CG2 ILE A 49 0.869 -6.345 -2.823 1.00 0.00 C ATOM 755 CD1 ILE A 49 -1.002 -8.306 -4.672 1.00 0.00 C ATOM 0 H ILE A 49 -1.451 -4.560 -5.858 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.740 -4.280 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 49 0.546 -6.241 -4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.572 -7.125 -2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.069 -6.462 -4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.159 -7.396 -2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.762 -5.721 -2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.325 -6.132 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.913 -8.903 -4.635 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.709 -8.155 -5.711 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.205 -8.828 -4.142 1.00 0.00 H new ATOM 767 N ILE A 50 1.197 -2.819 -3.607 1.00 0.00 N ATOM 768 CA ILE A 50 2.322 -1.953 -3.945 1.00 0.00 C ATOM 769 C ILE A 50 3.637 -2.720 -3.907 1.00 0.00 C ATOM 770 O ILE A 50 4.209 -2.943 -2.840 1.00 0.00 O ATOM 771 CB ILE A 50 2.423 -0.749 -2.990 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.068 -0.059 -2.857 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.476 0.233 -3.484 1.00 0.00 C ATOM 774 CD1 ILE A 50 0.792 0.447 -1.463 1.00 0.00 C ATOM 0 H ILE A 50 0.811 -2.672 -2.675 1.00 0.00 H new ATOM 0 HA ILE A 50 2.139 -1.589 -4.956 1.00 0.00 H new ATOM 0 HB ILE A 50 2.723 -1.111 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.023 0.777 -3.555 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.282 -0.757 -3.145 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.535 1.078 -2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.444 -0.265 -3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.203 0.590 -4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.186 0.927 -1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.805 -0.389 -0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.558 1.169 -1.180 1.00 0.00 H new ATOM 786 N THR A 51 4.113 -3.108 -5.084 1.00 0.00 N ATOM 787 CA THR A 51 5.368 -3.843 -5.201 1.00 0.00 C ATOM 788 C THR A 51 6.496 -2.923 -5.665 1.00 0.00 C ATOM 789 O THR A 51 7.516 -3.382 -6.179 1.00 0.00 O ATOM 790 CB THR A 51 5.207 -5.012 -6.177 1.00 0.00 C ATOM 791 OG1 THR A 51 5.244 -4.555 -7.517 1.00 0.00 O ATOM 792 CG2 THR A 51 3.914 -5.778 -5.987 1.00 0.00 C ATOM 0 H THR A 51 3.648 -2.926 -5.973 1.00 0.00 H new ATOM 0 HA THR A 51 5.627 -4.234 -4.217 1.00 0.00 H new ATOM 0 HB THR A 51 6.041 -5.682 -5.965 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.141 -5.316 -8.125 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.864 -6.592 -6.710 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.878 -6.187 -4.977 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.068 -5.107 -6.137 1.00 0.00 H new ATOM 800 N LYS A 52 6.303 -1.622 -5.470 1.00 0.00 N ATOM 801 CA LYS A 52 7.292 -0.624 -5.854 1.00 0.00 C ATOM 802 C LYS A 52 6.941 0.724 -5.233 1.00 0.00 C ATOM 803 O LYS A 52 5.822 1.211 -5.381 1.00 0.00 O ATOM 804 CB LYS A 52 7.366 -0.498 -7.379 1.00 0.00 C ATOM 805 CG LYS A 52 8.722 -0.875 -7.955 1.00 0.00 C ATOM 806 CD LYS A 52 9.216 0.164 -8.949 1.00 0.00 C ATOM 807 CE LYS A 52 10.669 -0.071 -9.325 1.00 0.00 C ATOM 808 NZ LYS A 52 11.081 0.751 -10.496 1.00 0.00 N ATOM 0 H LYS A 52 5.462 -1.233 -5.044 1.00 0.00 H new ATOM 0 HA LYS A 52 8.267 -0.942 -5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.601 -1.134 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.133 0.528 -7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.445 -0.979 -7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.652 -1.845 -8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.598 0.134 -9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.107 1.160 -8.520 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.307 0.166 -8.473 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.819 -1.127 -9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.079 0.561 -10.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.490 0.508 -11.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.963 1.759 -10.271 1.00 0.00 H new ATOM 822 N PHE A 53 7.898 1.313 -4.528 1.00 0.00 N ATOM 823 CA PHE A 53 7.675 2.595 -3.873 1.00 0.00 C ATOM 824 C PHE A 53 8.817 3.566 -4.158 1.00 0.00 C ATOM 825 O PHE A 53 9.932 3.394 -3.664 1.00 0.00 O ATOM 826 CB PHE A 53 7.523 2.382 -2.366 1.00 0.00 C ATOM 827 CG PHE A 53 7.280 3.644 -1.592 1.00 0.00 C ATOM 828 CD1 PHE A 53 8.341 4.444 -1.199 1.00 0.00 C ATOM 829 CD2 PHE A 53 5.993 4.025 -1.252 1.00 0.00 C ATOM 830 CE1 PHE A 53 8.122 5.602 -0.481 1.00 0.00 C ATOM 831 CE2 PHE A 53 5.768 5.182 -0.533 1.00 0.00 C ATOM 832 CZ PHE A 53 6.834 5.972 -0.149 1.00 0.00 C ATOM 0 H PHE A 53 8.832 0.926 -4.395 1.00 0.00 H new ATOM 0 HA PHE A 53 6.759 3.032 -4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.696 1.694 -2.188 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.424 1.902 -1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.350 4.158 -1.457 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.157 3.411 -1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.957 6.218 -0.179 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.760 5.469 -0.271 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.660 6.879 0.411 1.00 0.00 H new ATOM 842 N ASN A 54 8.528 4.590 -4.959 1.00 0.00 N ATOM 843 CA ASN A 54 9.526 5.595 -5.315 1.00 0.00 C ATOM 844 C ASN A 54 10.810 4.938 -5.818 1.00 0.00 C ATOM 845 O ASN A 54 11.872 5.076 -5.209 1.00 0.00 O ATOM 846 CB ASN A 54 9.829 6.490 -4.110 1.00 0.00 C ATOM 847 CG ASN A 54 9.071 7.803 -4.164 1.00 0.00 C ATOM 848 OD1 ASN A 54 9.307 8.634 -5.039 1.00 0.00 O ATOM 849 ND2 ASN A 54 8.155 7.994 -3.221 1.00 0.00 N ATOM 0 H ASN A 54 7.609 4.745 -5.374 1.00 0.00 H new ATOM 0 HA ASN A 54 9.119 6.207 -6.120 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.570 5.961 -3.193 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.899 6.692 -4.070 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.614 8.858 -3.203 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.993 7.276 -2.515 1.00 0.00 H new ATOM 856 N GLY A 55 10.705 4.219 -6.931 1.00 0.00 N ATOM 857 CA GLY A 55 11.864 3.548 -7.491 1.00 0.00 C ATOM 858 C GLY A 55 12.489 2.565 -6.521 1.00 0.00 C ATOM 859 O GLY A 55 13.655 2.198 -6.665 1.00 0.00 O ATOM 0 H GLY A 55 9.839 4.089 -7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.571 3.021 -8.399 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.607 4.292 -7.779 1.00 0.00 H new ATOM 863 N ASP A 56 11.712 2.137 -5.531 1.00 0.00 N ATOM 864 CA ASP A 56 12.192 1.190 -4.533 1.00 0.00 C ATOM 865 C ASP A 56 11.274 -0.024 -4.457 1.00 0.00 C ATOM 866 O ASP A 56 10.232 0.013 -3.804 1.00 0.00 O ATOM 867 CB ASP A 56 12.283 1.861 -3.162 1.00 0.00 C ATOM 868 CG ASP A 56 13.214 1.124 -2.218 1.00 0.00 C ATOM 869 OD1 ASP A 56 12.953 -0.065 -1.938 1.00 0.00 O ATOM 870 OD2 ASP A 56 14.200 1.737 -1.759 1.00 0.00 O ATOM 0 H ASP A 56 10.745 2.433 -5.399 1.00 0.00 H new ATOM 0 HA ASP A 56 13.186 0.857 -4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.632 2.886 -3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.288 1.913 -2.719 1.00 0.00 H new ATOM 875 N ALA A 57 11.665 -1.098 -5.134 1.00 0.00 N ATOM 876 CA ALA A 57 10.876 -2.323 -5.149 1.00 0.00 C ATOM 877 C ALA A 57 10.589 -2.817 -3.735 1.00 0.00 C ATOM 878 O ALA A 57 11.508 -3.088 -2.962 1.00 0.00 O ATOM 879 CB ALA A 57 11.592 -3.400 -5.950 1.00 0.00 C ATOM 0 H ALA A 57 12.525 -1.144 -5.680 1.00 0.00 H new ATOM 0 HA ALA A 57 9.921 -2.101 -5.625 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.992 -4.310 -5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.736 -3.056 -6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.562 -3.606 -5.497 1.00 0.00 H new ATOM 885 N LEU A 58 9.307 -2.939 -3.408 1.00 0.00 N ATOM 886 CA LEU A 58 8.894 -3.408 -2.091 1.00 0.00 C ATOM 887 C LEU A 58 8.672 -4.921 -2.098 1.00 0.00 C ATOM 888 O LEU A 58 7.994 -5.461 -1.224 1.00 0.00 O ATOM 889 CB LEU A 58 7.611 -2.695 -1.649 1.00 0.00 C ATOM 890 CG LEU A 58 7.608 -1.175 -1.844 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.183 -0.637 -1.875 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.406 -0.493 -0.744 1.00 0.00 C ATOM 0 H LEU A 58 8.535 -2.719 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 58 9.691 -3.177 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.771 -3.118 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.440 -2.910 -0.594 1.00 0.00 H new ATOM 0 HG LEU A 58 8.079 -0.956 -2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.205 0.444 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.638 -1.098 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.685 -0.871 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.392 0.586 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.963 -0.725 0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.436 -0.850 -0.767 1.00 0.00 H new ATOM 904 N GLU A 59 9.246 -5.602 -3.091 1.00 0.00 N ATOM 905 CA GLU A 59 9.107 -7.049 -3.212 1.00 0.00 C ATOM 906 C GLU A 59 10.006 -7.774 -2.216 1.00 0.00 C ATOM 907 O GLU A 59 11.123 -7.338 -1.938 1.00 0.00 O ATOM 908 CB GLU A 59 9.441 -7.496 -4.635 1.00 0.00 C ATOM 909 CG GLU A 59 9.106 -8.955 -4.909 1.00 0.00 C ATOM 910 CD GLU A 59 8.115 -9.124 -6.044 1.00 0.00 C ATOM 911 OE1 GLU A 59 7.343 -8.177 -6.304 1.00 0.00 O ATOM 912 OE2 GLU A 59 8.111 -10.203 -6.671 1.00 0.00 O ATOM 0 H GLU A 59 9.812 -5.172 -3.823 1.00 0.00 H new ATOM 0 HA GLU A 59 8.072 -7.306 -2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.898 -6.868 -5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.504 -7.335 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.022 -9.495 -5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.697 -9.406 -4.005 1.00 0.00 H new ATOM 919 N GLY A 60 9.509 -8.889 -1.687 1.00 0.00 N ATOM 920 CA GLY A 60 10.277 -9.664 -0.731 1.00 0.00 C ATOM 921 C GLY A 60 10.717 -8.846 0.466 1.00 0.00 C ATOM 922 O GLY A 60 11.728 -9.152 1.098 1.00 0.00 O ATOM 0 H GLY A 60 8.588 -9.269 -1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.678 -10.508 -0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.156 -10.077 -1.227 1.00 0.00 H new ATOM 926 N LEU A 61 9.958 -7.801 0.780 1.00 0.00 N ATOM 927 CA LEU A 61 10.278 -6.936 1.911 1.00 0.00 C ATOM 928 C LEU A 61 9.155 -6.956 2.946 1.00 0.00 C ATOM 929 O LEU A 61 7.978 -7.023 2.593 1.00 0.00 O ATOM 930 CB LEU A 61 10.518 -5.504 1.430 1.00 0.00 C ATOM 931 CG LEU A 61 11.912 -5.235 0.865 1.00 0.00 C ATOM 932 CD1 LEU A 61 12.005 -3.815 0.326 1.00 0.00 C ATOM 933 CD2 LEU A 61 12.972 -5.473 1.929 1.00 0.00 C ATOM 0 H LEU A 61 9.118 -7.532 0.268 1.00 0.00 H new ATOM 0 HA LEU A 61 11.187 -7.312 2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.780 -5.266 0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.343 -4.823 2.263 1.00 0.00 H new ATOM 0 HG LEU A 61 12.089 -5.927 0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.005 -3.642 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.270 -3.678 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.807 -3.107 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.959 -5.277 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.797 -4.805 2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.921 -6.508 2.268 1.00 0.00 H new ATOM 945 N PRO A 62 9.504 -6.895 4.244 1.00 0.00 N ATOM 946 CA PRO A 62 8.516 -6.903 5.328 1.00 0.00 C ATOM 947 C PRO A 62 7.497 -5.777 5.182 1.00 0.00 C ATOM 948 O PRO A 62 7.373 -5.174 4.116 1.00 0.00 O ATOM 949 CB PRO A 62 9.357 -6.700 6.591 1.00 0.00 C ATOM 950 CG PRO A 62 10.729 -7.141 6.215 1.00 0.00 C ATOM 951 CD PRO A 62 10.883 -6.810 4.757 1.00 0.00 C ATOM 0 HA PRO A 62 7.933 -7.824 5.338 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.350 -5.657 6.906 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.968 -7.287 7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.482 -6.628 6.814 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.857 -8.209 6.389 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.306 -5.816 4.612 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.544 -7.514 4.252 1.00 0.00 H new ATOM 959 N PHE A 63 6.772 -5.493 6.259 1.00 0.00 N ATOM 960 CA PHE A 63 5.769 -4.436 6.244 1.00 0.00 C ATOM 961 C PHE A 63 6.202 -3.253 7.105 1.00 0.00 C ATOM 962 O PHE A 63 5.736 -2.131 6.909 1.00 0.00 O ATOM 963 CB PHE A 63 4.420 -4.964 6.733 1.00 0.00 C ATOM 964 CG PHE A 63 3.296 -3.988 6.537 1.00 0.00 C ATOM 965 CD1 PHE A 63 2.925 -3.586 5.264 1.00 0.00 C ATOM 966 CD2 PHE A 63 2.612 -3.470 7.624 1.00 0.00 C ATOM 967 CE1 PHE A 63 1.893 -2.688 5.078 1.00 0.00 C ATOM 968 CE2 PHE A 63 1.579 -2.570 7.445 1.00 0.00 C ATOM 969 CZ PHE A 63 1.218 -2.179 6.171 1.00 0.00 C ATOM 0 H PHE A 63 6.860 -5.979 7.151 1.00 0.00 H new ATOM 0 HA PHE A 63 5.666 -4.096 5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.186 -5.888 6.205 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.496 -5.212 7.792 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.450 -3.980 4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.889 -3.773 8.623 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.614 -2.384 4.080 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.054 -2.173 8.301 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.410 -1.477 6.029 1.00 0.00 H new ATOM 979 N GLN A 64 7.094 -3.506 8.057 1.00 0.00 N ATOM 980 CA GLN A 64 7.582 -2.452 8.939 1.00 0.00 C ATOM 981 C GLN A 64 8.226 -1.331 8.133 1.00 0.00 C ATOM 982 O GLN A 64 7.893 -0.157 8.304 1.00 0.00 O ATOM 983 CB GLN A 64 8.588 -3.020 9.942 1.00 0.00 C ATOM 984 CG GLN A 64 8.058 -4.210 10.725 1.00 0.00 C ATOM 985 CD GLN A 64 6.807 -3.876 11.513 1.00 0.00 C ATOM 986 OE1 GLN A 64 6.879 -3.479 12.677 1.00 0.00 O ATOM 987 NE2 GLN A 64 5.649 -4.039 10.884 1.00 0.00 N ATOM 0 H GLN A 64 7.492 -4.428 8.237 1.00 0.00 H new ATOM 0 HA GLN A 64 6.731 -2.043 9.485 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.491 -3.319 9.409 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.875 -2.234 10.641 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.842 -5.027 10.036 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.830 -4.564 11.408 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.635 -4.370 9.919 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.774 -3.833 11.365 1.00 0.00 H new ATOM 996 N VAL A 65 9.144 -1.700 7.247 1.00 0.00 N ATOM 997 CA VAL A 65 9.829 -0.725 6.407 1.00 0.00 C ATOM 998 C VAL A 65 8.855 -0.055 5.445 1.00 0.00 C ATOM 999 O VAL A 65 8.915 1.156 5.226 1.00 0.00 O ATOM 1000 CB VAL A 65 10.969 -1.374 5.599 1.00 0.00 C ATOM 1001 CG1 VAL A 65 12.123 -1.755 6.515 1.00 0.00 C ATOM 1002 CG2 VAL A 65 10.465 -2.586 4.830 1.00 0.00 C ATOM 0 H VAL A 65 9.431 -2.666 7.092 1.00 0.00 H new ATOM 0 HA VAL A 65 10.254 0.024 7.075 1.00 0.00 H new ATOM 0 HB VAL A 65 11.334 -0.645 4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.919 -2.212 5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.505 -0.862 7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.773 -2.464 7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.287 -3.028 4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.068 -3.322 5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.678 -2.279 4.141 1.00 0.00 H new ATOM 1012 N CYS A 66 7.954 -0.848 4.874 1.00 0.00 N ATOM 1013 CA CYS A 66 6.962 -0.332 3.938 1.00 0.00 C ATOM 1014 C CYS A 66 6.078 0.714 4.607 1.00 0.00 C ATOM 1015 O CYS A 66 5.924 1.826 4.105 1.00 0.00 O ATOM 1016 CB CYS A 66 6.108 -1.473 3.390 1.00 0.00 C ATOM 1017 SG CYS A 66 7.052 -2.749 2.525 1.00 0.00 S ATOM 0 H CYS A 66 7.891 -1.852 5.044 1.00 0.00 H new ATOM 0 HA CYS A 66 7.488 0.144 3.110 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.564 -1.934 4.214 1.00 0.00 H new ATOM 0 HB3 CYS A 66 5.364 -1.061 2.708 1.00 0.00 H new ATOM 0 HG CYS A 66 7.451 -3.646 3.377 1.00 0.00 H new ATOM 1023 N TYR A 67 5.506 0.354 5.751 1.00 0.00 N ATOM 1024 CA TYR A 67 4.651 1.270 6.492 1.00 0.00 C ATOM 1025 C TYR A 67 5.435 2.519 6.894 1.00 0.00 C ATOM 1026 O TYR A 67 4.873 3.606 7.017 1.00 0.00 O ATOM 1027 CB TYR A 67 4.085 0.590 7.739 1.00 0.00 C ATOM 1028 CG TYR A 67 2.884 1.304 8.314 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.641 1.217 7.698 1.00 0.00 C ATOM 1030 CD2 TYR A 67 2.994 2.073 9.465 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.542 1.877 8.216 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.899 2.734 9.988 1.00 0.00 C ATOM 1033 CZ TYR A 67 0.676 2.633 9.361 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.416 3.290 9.880 1.00 0.00 O ATOM 0 H TYR A 67 5.619 -0.563 6.183 1.00 0.00 H new ATOM 0 HA TYR A 67 3.823 1.561 5.846 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.806 -0.434 7.491 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.864 0.533 8.499 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.532 0.625 6.801 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.951 2.156 9.959 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.417 1.801 7.726 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.001 3.327 10.885 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.482 4.182 9.479 1.00 0.00 H new ATOM 1044 N ALA A 68 6.737 2.343 7.111 1.00 0.00 N ATOM 1045 CA ALA A 68 7.607 3.442 7.516 1.00 0.00 C ATOM 1046 C ALA A 68 7.813 4.458 6.397 1.00 0.00 C ATOM 1047 O ALA A 68 7.636 5.658 6.608 1.00 0.00 O ATOM 1048 CB ALA A 68 8.949 2.899 7.976 1.00 0.00 C ATOM 0 H ALA A 68 7.213 1.446 7.012 1.00 0.00 H new ATOM 0 HA ALA A 68 7.116 3.959 8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.592 3.726 8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.800 2.229 8.823 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.419 2.352 7.159 1.00 0.00 H new ATOM 1054 N LEU A 69 8.190 3.988 5.210 1.00 0.00 N ATOM 1055 CA LEU A 69 8.410 4.892 4.084 1.00 0.00 C ATOM 1056 C LEU A 69 7.093 5.509 3.643 1.00 0.00 C ATOM 1057 O LEU A 69 7.025 6.702 3.349 1.00 0.00 O ATOM 1058 CB LEU A 69 9.082 4.172 2.910 1.00 0.00 C ATOM 1059 CG LEU A 69 8.536 2.781 2.593 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.859 2.766 1.230 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.650 1.746 2.648 1.00 0.00 C ATOM 0 H LEU A 69 8.348 3.001 5.004 1.00 0.00 H new ATOM 0 HA LEU A 69 9.081 5.684 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.983 4.794 2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.148 4.086 3.121 1.00 0.00 H new ATOM 0 HG LEU A 69 7.791 2.526 3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.477 1.766 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.033 3.477 1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.581 3.044 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.243 0.761 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.418 1.999 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.088 1.735 3.646 1.00 0.00 H new ATOM 1073 N PHE A 70 6.040 4.697 3.623 1.00 0.00 N ATOM 1074 CA PHE A 70 4.720 5.183 3.247 1.00 0.00 C ATOM 1075 C PHE A 70 4.283 6.268 4.224 1.00 0.00 C ATOM 1076 O PHE A 70 3.603 7.224 3.851 1.00 0.00 O ATOM 1077 CB PHE A 70 3.706 4.036 3.242 1.00 0.00 C ATOM 1078 CG PHE A 70 3.525 3.401 1.892 1.00 0.00 C ATOM 1079 CD1 PHE A 70 2.897 4.090 0.866 1.00 0.00 C ATOM 1080 CD2 PHE A 70 3.984 2.117 1.649 1.00 0.00 C ATOM 1081 CE1 PHE A 70 2.731 3.511 -0.376 1.00 0.00 C ATOM 1082 CE2 PHE A 70 3.822 1.530 0.407 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.194 2.229 -0.606 1.00 0.00 C ATOM 0 H PHE A 70 6.076 3.706 3.861 1.00 0.00 H new ATOM 0 HA PHE A 70 4.768 5.600 2.241 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.027 3.275 3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.744 4.411 3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.533 5.092 1.041 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.474 1.567 2.439 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.240 4.059 -1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.185 0.528 0.230 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.065 1.774 -1.577 1.00 0.00 H new ATOM 1093 N LYS A 71 4.705 6.115 5.477 1.00 0.00 N ATOM 1094 CA LYS A 71 4.391 7.079 6.521 1.00 0.00 C ATOM 1095 C LYS A 71 5.378 8.240 6.479 1.00 0.00 C ATOM 1096 O LYS A 71 5.040 9.373 6.819 1.00 0.00 O ATOM 1097 CB LYS A 71 4.441 6.410 7.895 1.00 0.00 C ATOM 1098 CG LYS A 71 3.141 5.734 8.298 1.00 0.00 C ATOM 1099 CD LYS A 71 2.959 5.734 9.808 1.00 0.00 C ATOM 1100 CE LYS A 71 4.121 5.054 10.514 1.00 0.00 C ATOM 1101 NZ LYS A 71 3.834 4.815 11.955 1.00 0.00 N ATOM 0 H LYS A 71 5.269 5.326 5.792 1.00 0.00 H new ATOM 0 HA LYS A 71 3.384 7.459 6.348 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.241 5.669 7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.697 7.159 8.644 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.302 6.248 7.829 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.133 4.708 7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.867 6.760 10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.030 5.224 10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.337 4.104 10.025 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.014 5.671 10.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.701 4.960 12.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.101 5.479 12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.499 3.839 12.085 1.00 0.00 H new ATOM 1115 N GLY A 72 6.602 7.941 6.056 1.00 0.00 N ATOM 1116 CA GLY A 72 7.632 8.958 5.969 1.00 0.00 C ATOM 1117 C GLY A 72 7.667 9.638 4.614 1.00 0.00 C ATOM 1118 O GLY A 72 8.612 10.360 4.302 1.00 0.00 O ATOM 0 H GLY A 72 6.899 7.008 5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.464 9.707 6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.603 8.505 6.169 1.00 0.00 H new ATOM 1122 N ALA A 73 6.632 9.413 3.809 1.00 0.00 N ATOM 1123 CA ALA A 73 6.545 10.020 2.488 1.00 0.00 C ATOM 1124 C ALA A 73 6.166 11.491 2.604 1.00 0.00 C ATOM 1125 O ALA A 73 5.313 11.857 3.412 1.00 0.00 O ATOM 1126 CB ALA A 73 5.533 9.274 1.632 1.00 0.00 C ATOM 0 H ALA A 73 5.842 8.814 4.050 1.00 0.00 H new ATOM 0 HA ALA A 73 7.521 9.953 2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.477 9.738 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.842 8.234 1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.553 9.315 2.108 1.00 0.00 H new ATOM 1132 N ASN A 74 6.799 12.337 1.800 1.00 0.00 N ATOM 1133 CA ASN A 74 6.511 13.767 1.823 1.00 0.00 C ATOM 1134 C ASN A 74 7.173 14.478 0.652 1.00 0.00 C ATOM 1135 O ASN A 74 8.366 14.776 0.680 1.00 0.00 O ATOM 1136 CB ASN A 74 6.964 14.397 3.142 1.00 0.00 C ATOM 1137 CG ASN A 74 8.402 14.068 3.480 1.00 0.00 C ATOM 1138 OD1 ASN A 74 9.308 14.868 3.249 1.00 0.00 O ATOM 1139 ND2 ASN A 74 8.613 12.882 4.030 1.00 0.00 N ATOM 0 H ASN A 74 7.513 12.060 1.126 1.00 0.00 H new ATOM 0 HA ASN A 74 5.431 13.885 1.734 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.847 15.479 3.083 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.317 14.050 3.947 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.560 12.598 4.282 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.829 12.253 4.202 1.00 0.00 H new ATOM 1146 N GLY A 75 6.382 14.737 -0.380 1.00 0.00 N ATOM 1147 CA GLY A 75 6.891 15.407 -1.563 1.00 0.00 C ATOM 1148 C GLY A 75 6.772 14.543 -2.801 1.00 0.00 C ATOM 1149 O GLY A 75 7.758 13.967 -3.262 1.00 0.00 O ATOM 0 H GLY A 75 5.392 14.494 -0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.344 16.337 -1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.936 15.674 -1.407 1.00 0.00 H new ATOM 1153 N LYS A 76 5.558 14.440 -3.333 1.00 0.00 N ATOM 1154 CA LYS A 76 5.308 13.630 -4.516 1.00 0.00 C ATOM 1155 C LYS A 76 5.682 12.174 -4.246 1.00 0.00 C ATOM 1156 O LYS A 76 6.859 11.835 -4.125 1.00 0.00 O ATOM 1157 CB LYS A 76 6.094 14.172 -5.705 1.00 0.00 C ATOM 1158 CG LYS A 76 5.337 14.092 -7.022 1.00 0.00 C ATOM 1159 CD LYS A 76 4.390 15.272 -7.196 1.00 0.00 C ATOM 1160 CE LYS A 76 2.935 14.836 -7.119 1.00 0.00 C ATOM 1161 NZ LYS A 76 2.530 14.042 -8.313 1.00 0.00 N ATOM 0 H LYS A 76 4.732 14.909 -2.961 1.00 0.00 H new ATOM 0 HA LYS A 76 4.246 13.677 -4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.360 15.211 -5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.027 13.616 -5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.046 14.069 -7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.771 13.161 -7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.589 16.016 -6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.577 15.751 -8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.781 14.242 -6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.296 15.715 -7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.597 14.363 -8.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.230 14.174 -9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.480 13.035 -8.059 1.00 0.00 H new ATOM 1175 N VAL A 77 4.670 11.322 -4.135 1.00 0.00 N ATOM 1176 CA VAL A 77 4.879 9.904 -3.856 1.00 0.00 C ATOM 1177 C VAL A 77 4.384 9.026 -4.996 1.00 0.00 C ATOM 1178 O VAL A 77 3.181 8.861 -5.184 1.00 0.00 O ATOM 1179 CB VAL A 77 4.150 9.480 -2.568 1.00 0.00 C ATOM 1180 CG1 VAL A 77 5.078 9.593 -1.373 1.00 0.00 C ATOM 1181 CG2 VAL A 77 2.894 10.300 -2.354 1.00 0.00 C ATOM 0 H VAL A 77 3.691 11.589 -4.234 1.00 0.00 H new ATOM 0 HA VAL A 77 5.954 9.769 -3.738 1.00 0.00 H new ATOM 0 HB VAL A 77 3.850 8.438 -2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.548 9.290 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.942 8.945 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.412 10.625 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.401 9.978 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.157 11.355 -2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.219 10.158 -3.198 1.00 0.00 H new ATOM 1191 N SER A 78 5.319 8.446 -5.740 1.00 0.00 N ATOM 1192 CA SER A 78 4.975 7.566 -6.850 1.00 0.00 C ATOM 1193 C SER A 78 5.101 6.106 -6.427 1.00 0.00 C ATOM 1194 O SER A 78 6.194 5.634 -6.113 1.00 0.00 O ATOM 1195 CB SER A 78 5.879 7.847 -8.051 1.00 0.00 C ATOM 1196 OG SER A 78 5.352 7.271 -9.234 1.00 0.00 O ATOM 0 H SER A 78 6.321 8.569 -5.594 1.00 0.00 H new ATOM 0 HA SER A 78 3.942 7.759 -7.138 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.987 8.923 -8.184 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.875 7.448 -7.861 1.00 0.00 H new ATOM 0 HG SER A 78 5.948 7.467 -9.987 1.00 0.00 H new ATOM 1202 N MET A 79 3.976 5.401 -6.402 1.00 0.00 N ATOM 1203 CA MET A 79 3.964 4.001 -5.994 1.00 0.00 C ATOM 1204 C MET A 79 3.451 3.093 -7.109 1.00 0.00 C ATOM 1205 O MET A 79 2.326 3.253 -7.580 1.00 0.00 O ATOM 1206 CB MET A 79 3.093 3.813 -4.748 1.00 0.00 C ATOM 1207 CG MET A 79 2.969 5.059 -3.886 1.00 0.00 C ATOM 1208 SD MET A 79 1.407 5.923 -4.130 1.00 0.00 S ATOM 1209 CE MET A 79 0.679 5.746 -2.504 1.00 0.00 C ATOM 0 H MET A 79 3.062 5.775 -6.659 1.00 0.00 H new ATOM 0 HA MET A 79 4.993 3.722 -5.768 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.097 3.498 -5.058 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.509 3.006 -4.145 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.065 4.780 -2.837 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.793 5.736 -4.113 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.273 6.275 -2.472 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.514 4.690 -2.292 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.352 6.165 -1.756 1.00 0.00 H new ATOM 1219 N GLU A 80 4.273 2.127 -7.511 1.00 0.00 N ATOM 1220 CA GLU A 80 3.876 1.186 -8.553 1.00 0.00 C ATOM 1221 C GLU A 80 3.068 0.048 -7.944 1.00 0.00 C ATOM 1222 O GLU A 80 3.622 -0.858 -7.322 1.00 0.00 O ATOM 1223 CB GLU A 80 5.098 0.629 -9.291 1.00 0.00 C ATOM 1224 CG GLU A 80 4.988 0.732 -10.804 1.00 0.00 C ATOM 1225 CD GLU A 80 6.342 0.770 -11.485 1.00 0.00 C ATOM 1226 OE1 GLU A 80 7.061 -0.251 -11.436 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.685 1.820 -12.067 1.00 0.00 O ATOM 0 H GLU A 80 5.209 1.976 -7.135 1.00 0.00 H new ATOM 0 HA GLU A 80 3.259 1.719 -9.277 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.988 1.165 -8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.235 -0.416 -9.014 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.419 -0.117 -11.182 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.429 1.631 -11.064 1.00 0.00 H new ATOM 1234 N VAL A 81 1.755 0.112 -8.115 1.00 0.00 N ATOM 1235 CA VAL A 81 0.865 -0.907 -7.568 1.00 0.00 C ATOM 1236 C VAL A 81 0.542 -1.982 -8.594 1.00 0.00 C ATOM 1237 O VAL A 81 0.382 -1.700 -9.780 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.453 -0.310 -7.038 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.316 0.040 -5.568 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -0.863 0.907 -7.842 1.00 0.00 C ATOM 0 H VAL A 81 1.281 0.856 -8.627 1.00 0.00 H new ATOM 0 HA VAL A 81 1.406 -1.355 -6.734 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.236 -1.060 -7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.254 0.461 -5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.078 -0.860 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.483 0.771 -5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.796 1.307 -7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.084 1.667 -7.774 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.004 0.623 -8.885 1.00 0.00 H new ATOM 1250 N THR A 82 0.446 -3.215 -8.117 1.00 0.00 N ATOM 1251 CA THR A 82 0.140 -4.352 -8.972 1.00 0.00 C ATOM 1252 C THR A 82 -1.277 -4.847 -8.700 1.00 0.00 C ATOM 1253 O THR A 82 -1.613 -5.202 -7.571 1.00 0.00 O ATOM 1254 CB THR A 82 1.149 -5.477 -8.724 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.448 -5.078 -9.120 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.819 -6.760 -9.457 1.00 0.00 C ATOM 0 H THR A 82 0.577 -3.454 -7.134 1.00 0.00 H new ATOM 0 HA THR A 82 0.207 -4.040 -10.014 1.00 0.00 H new ATOM 0 HB THR A 82 1.102 -5.673 -7.653 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.961 -4.803 -8.331 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.576 -7.511 -9.234 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.157 -7.122 -9.135 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.800 -6.571 -10.530 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.106 -4.860 -9.740 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.488 -5.305 -9.608 1.00 0.00 C ATOM 1266 C ARG A 83 -3.694 -6.658 -10.283 1.00 0.00 C ATOM 1267 O ARG A 83 -3.892 -6.730 -11.497 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.438 -4.270 -10.211 1.00 0.00 C ATOM 1269 CG ARG A 83 -5.899 -4.500 -9.852 1.00 0.00 C ATOM 1270 CD ARG A 83 -6.764 -4.648 -11.093 1.00 0.00 C ATOM 1271 NE ARG A 83 -8.081 -4.042 -10.918 1.00 0.00 N ATOM 1272 CZ ARG A 83 -8.319 -2.738 -11.041 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -7.332 -1.899 -11.332 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -9.548 -2.269 -10.871 1.00 0.00 N ATOM 0 H ARG A 83 -1.844 -4.568 -10.682 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.707 -5.414 -8.546 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.142 -3.277 -9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.333 -4.282 -11.296 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.987 -5.396 -9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.262 -3.666 -9.252 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.262 -4.185 -11.942 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.880 -5.706 -11.330 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.864 -4.654 -10.688 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.384 -2.252 -11.463 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.522 -0.901 -11.425 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.311 -2.908 -10.646 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.730 -1.270 -10.965 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.654 -7.751 -9.504 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.840 -9.105 -10.035 1.00 0.00 C ATOM 1290 C PRO A 84 -5.172 -9.261 -10.762 1.00 0.00 C ATOM 1291 O PRO A 84 -6.052 -8.407 -10.657 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.806 -9.993 -8.788 1.00 0.00 C ATOM 1293 CG PRO A 84 -3.086 -9.190 -7.761 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.424 -7.758 -8.049 1.00 0.00 C ATOM 0 HA PRO A 84 -3.078 -9.359 -10.772 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.813 -10.246 -8.456 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.291 -10.933 -8.987 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.399 -9.471 -6.755 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.010 -9.357 -7.818 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.309 -7.435 -7.500 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.612 -7.088 -7.767 1.00 0.00 H new ATOM 1302 N LYS A 85 -5.313 -10.358 -11.499 1.00 0.00 N ATOM 1303 CA LYS A 85 -6.538 -10.626 -12.245 1.00 0.00 C ATOM 1304 C LYS A 85 -7.240 -11.873 -11.713 1.00 0.00 C ATOM 1305 O LYS A 85 -6.610 -12.739 -11.105 1.00 0.00 O ATOM 1306 CB LYS A 85 -6.226 -10.798 -13.733 1.00 0.00 C ATOM 1307 CG LYS A 85 -5.066 -11.742 -14.005 1.00 0.00 C ATOM 1308 CD LYS A 85 -4.817 -11.902 -15.495 1.00 0.00 C ATOM 1309 CE LYS A 85 -4.277 -10.621 -16.114 1.00 0.00 C ATOM 1310 NZ LYS A 85 -2.997 -10.853 -16.840 1.00 0.00 N ATOM 0 H LYS A 85 -4.595 -11.076 -11.596 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.205 -9.774 -12.116 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.115 -11.172 -14.241 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.999 -9.823 -14.163 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.165 -11.362 -13.523 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.277 -12.716 -13.563 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.109 -12.714 -15.661 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.746 -12.183 -15.991 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.016 -10.211 -16.802 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.122 -9.877 -15.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.662 -9.957 -17.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.284 -11.221 -16.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.150 -11.544 -17.602 1.00 0.00 H new ATOM 1324 N PRO A 86 -8.561 -11.982 -11.936 1.00 0.00 N ATOM 1325 CA PRO A 86 -9.351 -13.130 -11.475 1.00 0.00 C ATOM 1326 C PRO A 86 -8.955 -14.423 -12.182 1.00 0.00 C ATOM 1327 O PRO A 86 -8.169 -14.411 -13.128 1.00 0.00 O ATOM 1328 CB PRO A 86 -10.790 -12.746 -11.832 1.00 0.00 C ATOM 1329 CG PRO A 86 -10.660 -11.746 -12.929 1.00 0.00 C ATOM 1330 CD PRO A 86 -9.390 -10.994 -12.651 1.00 0.00 C ATOM 0 HA PRO A 86 -9.202 -13.325 -10.413 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.362 -13.615 -12.156 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.311 -12.324 -10.973 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.619 -12.236 -13.902 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.517 -11.073 -12.947 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.912 -10.658 -13.571 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.572 -10.107 -12.044 1.00 0.00 H new ATOM 1338 N GLY A 87 -9.505 -15.539 -11.712 1.00 0.00 N ATOM 1339 CA GLY A 87 -9.198 -16.826 -12.308 1.00 0.00 C ATOM 1340 C GLY A 87 -8.733 -17.844 -11.285 1.00 0.00 C ATOM 1341 O GLY A 87 -7.535 -18.083 -11.138 1.00 0.00 O ATOM 0 H GLY A 87 -10.158 -15.574 -10.929 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.083 -17.207 -12.818 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.424 -16.697 -13.065 1.00 0.00 H new ATOM 1345 N SER A 88 -9.684 -18.441 -10.574 1.00 0.00 N ATOM 1346 CA SER A 88 -9.366 -19.439 -9.557 1.00 0.00 C ATOM 1347 C SER A 88 -8.507 -18.833 -8.453 1.00 0.00 C ATOM 1348 O SER A 88 -7.290 -18.710 -8.595 1.00 0.00 O ATOM 1349 CB SER A 88 -8.642 -20.629 -10.189 1.00 0.00 C ATOM 1350 OG SER A 88 -9.472 -21.291 -11.127 1.00 0.00 O ATOM 0 H SER A 88 -10.680 -18.252 -10.683 1.00 0.00 H new ATOM 0 HA SER A 88 -10.301 -19.785 -9.117 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.733 -20.285 -10.682 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.338 -21.329 -9.411 1.00 0.00 H new ATOM 0 HG SER A 88 -8.986 -22.047 -11.518 1.00 0.00 H new ATOM 1356 N GLY A 89 -9.147 -18.456 -7.351 1.00 0.00 N ATOM 1357 CA GLY A 89 -8.427 -17.868 -6.237 1.00 0.00 C ATOM 1358 C GLY A 89 -9.342 -17.131 -5.279 1.00 0.00 C ATOM 1359 O GLY A 89 -9.377 -15.900 -5.267 1.00 0.00 O ATOM 0 H GLY A 89 -10.153 -18.547 -7.210 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.896 -18.652 -5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.674 -17.178 -6.619 1.00 0.00 H new ATOM 1363 N GLY A 90 -10.084 -17.885 -4.474 1.00 0.00 N ATOM 1364 CA GLY A 90 -10.993 -17.279 -3.519 1.00 0.00 C ATOM 1365 C GLY A 90 -10.501 -17.402 -2.091 1.00 0.00 C ATOM 1366 O GLY A 90 -10.709 -18.427 -1.441 1.00 0.00 O ATOM 0 H GLY A 90 -10.072 -18.905 -4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.124 -16.225 -3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.972 -17.750 -3.604 1.00 0.00 H new ATOM 1370 N SER A 91 -9.845 -16.355 -1.601 1.00 0.00 N ATOM 1371 CA SER A 91 -9.322 -16.352 -0.239 1.00 0.00 C ATOM 1372 C SER A 91 -10.191 -15.495 0.678 1.00 0.00 C ATOM 1373 O SER A 91 -9.716 -14.970 1.684 1.00 0.00 O ATOM 1374 CB SER A 91 -7.883 -15.832 -0.226 1.00 0.00 C ATOM 1375 OG SER A 91 -7.259 -16.028 -1.483 1.00 0.00 O ATOM 0 H SER A 91 -9.663 -15.499 -2.125 1.00 0.00 H new ATOM 0 HA SER A 91 -9.337 -17.377 0.131 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.879 -14.771 0.024 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.315 -16.345 0.550 1.00 0.00 H new ATOM 0 HG SER A 91 -6.341 -15.686 -1.449 1.00 0.00 H new ATOM 1381 N GLY A 92 -11.466 -15.358 0.325 1.00 0.00 N ATOM 1382 CA GLY A 92 -12.376 -14.564 1.129 1.00 0.00 C ATOM 1383 C GLY A 92 -12.093 -13.078 1.030 1.00 0.00 C ATOM 1384 O GLY A 92 -12.150 -12.499 -0.055 1.00 0.00 O ATOM 0 H GLY A 92 -11.884 -15.783 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.400 -14.757 0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -12.302 -14.876 2.171 1.00 0.00 H new ATOM 1388 N SER A 93 -11.788 -12.458 2.166 1.00 0.00 N ATOM 1389 CA SER A 93 -11.495 -11.031 2.202 1.00 0.00 C ATOM 1390 C SER A 93 -10.545 -10.699 3.349 1.00 0.00 C ATOM 1391 O SER A 93 -10.274 -11.539 4.207 1.00 0.00 O ATOM 1392 CB SER A 93 -12.788 -10.228 2.347 1.00 0.00 C ATOM 1393 OG SER A 93 -13.418 -10.042 1.090 1.00 0.00 O ATOM 0 H SER A 93 -11.738 -12.922 3.073 1.00 0.00 H new ATOM 0 HA SER A 93 -11.011 -10.761 1.264 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.467 -10.746 3.024 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.569 -9.258 2.794 1.00 0.00 H new ATOM 0 HG SER A 93 -13.140 -10.754 0.476 1.00 0.00 H new ATOM 1399 N LEU A 94 -10.044 -9.469 3.356 1.00 0.00 N ATOM 1400 CA LEU A 94 -9.123 -9.025 4.398 1.00 0.00 C ATOM 1401 C LEU A 94 -9.887 -8.494 5.607 1.00 0.00 C ATOM 1402 O LEU A 94 -9.823 -9.067 6.695 1.00 0.00 O ATOM 1403 CB LEU A 94 -8.187 -7.946 3.852 1.00 0.00 C ATOM 1404 CG LEU A 94 -7.063 -8.460 2.952 1.00 0.00 C ATOM 1405 CD1 LEU A 94 -7.570 -8.671 1.534 1.00 0.00 C ATOM 1406 CD2 LEU A 94 -5.888 -7.493 2.962 1.00 0.00 C ATOM 0 H LEU A 94 -10.259 -8.762 2.653 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.529 -9.882 4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.779 -7.223 3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.744 -7.412 4.692 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.721 -9.419 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.757 -9.037 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.379 -9.402 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.938 -7.726 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.097 -7.875 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.215 -6.519 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.509 -7.392 3.979 1.00 0.00 H new ATOM 1418 N VAL A 95 -10.611 -7.397 5.409 1.00 0.00 N ATOM 1419 CA VAL A 95 -11.389 -6.791 6.485 1.00 0.00 C ATOM 1420 C VAL A 95 -12.888 -6.899 6.202 1.00 0.00 C ATOM 1421 O VAL A 95 -13.366 -6.435 5.166 1.00 0.00 O ATOM 1422 CB VAL A 95 -11.018 -5.306 6.681 1.00 0.00 C ATOM 1423 CG1 VAL A 95 -11.324 -4.500 5.429 1.00 0.00 C ATOM 1424 CG2 VAL A 95 -11.743 -4.726 7.888 1.00 0.00 C ATOM 0 H VAL A 95 -10.676 -6.910 4.515 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.152 -7.338 7.398 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.945 -5.246 6.866 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -11.054 -3.457 5.593 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -10.750 -4.897 4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -12.388 -4.568 5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -11.468 -3.678 8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -12.820 -4.803 7.737 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -11.461 -5.281 8.783 1.00 0.00 H new ATOM 1434 N PRO A 96 -13.652 -7.518 7.120 1.00 0.00 N ATOM 1435 CA PRO A 96 -15.099 -7.682 6.954 1.00 0.00 C ATOM 1436 C PRO A 96 -15.852 -6.363 7.091 1.00 0.00 C ATOM 1437 O PRO A 96 -15.250 -5.288 7.074 1.00 0.00 O ATOM 1438 CB PRO A 96 -15.483 -8.647 8.077 1.00 0.00 C ATOM 1439 CG PRO A 96 -14.427 -8.479 9.114 1.00 0.00 C ATOM 1440 CD PRO A 96 -13.168 -8.104 8.384 1.00 0.00 C ATOM 0 HA PRO A 96 -15.356 -8.049 5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -16.469 -8.413 8.478 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -15.521 -9.675 7.717 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -14.706 -7.705 9.830 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -14.288 -9.401 9.679 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.574 -7.390 8.954 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -12.536 -8.974 8.205 1.00 0.00 H new ATOM 1448 N ARG A 97 -17.172 -6.449 7.222 1.00 0.00 N ATOM 1449 CA ARG A 97 -18.010 -5.267 7.356 1.00 0.00 C ATOM 1450 C ARG A 97 -18.233 -4.920 8.824 1.00 0.00 C ATOM 1451 O ARG A 97 -19.348 -5.021 9.338 1.00 0.00 O ATOM 1452 CB ARG A 97 -19.349 -5.501 6.657 1.00 0.00 C ATOM 1453 CG ARG A 97 -20.305 -4.327 6.763 1.00 0.00 C ATOM 1454 CD ARG A 97 -20.231 -3.435 5.532 1.00 0.00 C ATOM 1455 NE ARG A 97 -21.556 -3.016 5.082 1.00 0.00 N ATOM 1456 CZ ARG A 97 -21.809 -2.542 3.864 1.00 0.00 C ATOM 1457 NH1 ARG A 97 -20.830 -2.426 2.973 1.00 0.00 N ATOM 1458 NH2 ARG A 97 -23.042 -2.184 3.535 1.00 0.00 N ATOM 0 H ARG A 97 -17.685 -7.331 7.238 1.00 0.00 H new ATOM 0 HA ARG A 97 -17.501 -4.426 6.885 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -19.167 -5.716 5.604 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -19.823 -6.384 7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -21.323 -4.696 6.886 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -20.068 -3.743 7.652 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -19.629 -2.555 5.757 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -19.726 -3.969 4.727 1.00 0.00 H new ATOM 0 HE ARG A 97 -22.332 -3.091 5.739 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -19.880 -2.701 3.221 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -21.029 -2.062 2.041 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -23.797 -2.272 4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -23.236 -1.821 2.602 1.00 0.00 H new ATOM 1472 N LEU A 98 -17.163 -4.511 9.491 1.00 0.00 N ATOM 1473 CA LEU A 98 -17.231 -4.145 10.902 1.00 0.00 C ATOM 1474 C LEU A 98 -17.589 -2.672 11.063 1.00 0.00 C ATOM 1475 O LEU A 98 -18.659 -2.333 11.569 1.00 0.00 O ATOM 1476 CB LEU A 98 -15.894 -4.435 11.592 1.00 0.00 C ATOM 1477 CG LEU A 98 -15.141 -5.655 11.060 1.00 0.00 C ATOM 1478 CD1 LEU A 98 -14.194 -5.255 9.939 1.00 0.00 C ATOM 1479 CD2 LEU A 98 -14.381 -6.346 12.182 1.00 0.00 C ATOM 0 H LEU A 98 -16.234 -4.424 9.078 1.00 0.00 H new ATOM 0 HA LEU A 98 -18.011 -4.745 11.371 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -15.253 -3.559 11.491 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -16.076 -4.576 12.658 1.00 0.00 H new ATOM 0 HG LEU A 98 -15.870 -6.357 10.656 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.668 -6.138 9.575 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -14.763 -4.809 9.123 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -13.471 -4.531 10.315 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -13.852 -7.212 11.784 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.663 -5.651 12.617 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -15.083 -6.672 12.950 1.00 0.00 H new ATOM 1491 N LEU A 99 -16.687 -1.800 10.624 1.00 0.00 N ATOM 1492 CA LEU A 99 -16.904 -0.362 10.715 1.00 0.00 C ATOM 1493 C LEU A 99 -16.503 0.326 9.414 1.00 0.00 C ATOM 1494 O LEU A 99 -16.049 -0.324 8.472 1.00 0.00 O ATOM 1495 CB LEU A 99 -16.108 0.222 11.884 1.00 0.00 C ATOM 1496 CG LEU A 99 -16.693 1.499 12.497 1.00 0.00 C ATOM 1497 CD1 LEU A 99 -16.908 1.330 13.993 1.00 0.00 C ATOM 1498 CD2 LEU A 99 -15.785 2.690 12.220 1.00 0.00 C ATOM 0 H LEU A 99 -15.798 -2.066 10.201 1.00 0.00 H new ATOM 0 HA LEU A 99 -17.966 -0.186 10.887 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.031 -0.535 12.665 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.094 0.433 11.543 1.00 0.00 H new ATOM 0 HG LEU A 99 -17.661 1.687 12.032 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -17.324 2.249 14.407 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -17.600 0.506 14.170 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -15.955 1.114 14.475 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -16.217 3.587 12.663 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.802 2.507 12.655 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -15.685 2.829 11.143 1.00 0.00 H new ATOM 1510 N ARG A 100 -16.673 1.646 9.363 1.00 0.00 N ATOM 1511 CA ARG A 100 -16.326 2.420 8.176 1.00 0.00 C ATOM 1512 C ARG A 100 -14.934 2.050 7.665 1.00 0.00 C ATOM 1513 O ARG A 100 -14.797 1.402 6.628 1.00 0.00 O ATOM 1514 CB ARG A 100 -16.391 3.917 8.485 1.00 0.00 C ATOM 1515 CG ARG A 100 -17.724 4.554 8.125 1.00 0.00 C ATOM 1516 CD ARG A 100 -18.340 5.276 9.312 1.00 0.00 C ATOM 1517 NE ARG A 100 -19.132 6.432 8.899 1.00 0.00 N ATOM 1518 CZ ARG A 100 -20.033 7.030 9.675 1.00 0.00 C ATOM 1519 NH1 ARG A 100 -20.260 6.585 10.905 1.00 0.00 N ATOM 1520 NH2 ARG A 100 -20.710 8.075 9.220 1.00 0.00 N ATOM 0 H ARG A 100 -17.049 2.201 10.132 1.00 0.00 H new ATOM 0 HA ARG A 100 -17.049 2.184 7.395 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -16.200 4.069 9.547 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -15.595 4.427 7.942 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -17.582 5.258 7.305 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -18.411 3.786 7.770 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -18.972 4.584 9.869 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -17.550 5.601 9.989 1.00 0.00 H new ATOM 0 HE ARG A 100 -18.986 6.803 7.960 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -19.743 5.781 11.260 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -20.952 7.047 11.495 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -20.540 8.421 8.275 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -21.401 8.533 9.814 1.00 0.00 H new ATOM 1534 N ARG A 101 -13.908 2.460 8.404 1.00 0.00 N ATOM 1535 CA ARG A 101 -12.531 2.164 8.026 1.00 0.00 C ATOM 1536 C ARG A 101 -11.695 1.792 9.249 1.00 0.00 C ATOM 1537 O ARG A 101 -11.464 0.612 9.517 1.00 0.00 O ATOM 1538 CB ARG A 101 -11.908 3.351 7.286 1.00 0.00 C ATOM 1539 CG ARG A 101 -12.668 3.746 6.030 1.00 0.00 C ATOM 1540 CD ARG A 101 -13.299 5.122 6.166 1.00 0.00 C ATOM 1541 NE ARG A 101 -13.648 5.696 4.869 1.00 0.00 N ATOM 1542 CZ ARG A 101 -14.742 5.372 4.183 1.00 0.00 C ATOM 1543 NH1 ARG A 101 -15.595 4.476 4.666 1.00 0.00 N ATOM 1544 NH2 ARG A 101 -14.986 5.946 3.014 1.00 0.00 N ATOM 0 H ARG A 101 -14.004 2.997 9.266 1.00 0.00 H new ATOM 0 HA ARG A 101 -12.543 1.307 7.353 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -11.864 4.207 7.959 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.881 3.104 7.018 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.990 3.739 5.177 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -13.444 3.008 5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -14.195 5.050 6.783 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -12.608 5.788 6.683 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.016 6.387 4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -15.413 4.033 5.566 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -16.432 4.231 4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.335 6.636 2.639 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.824 5.697 2.489 1.00 0.00 H new ATOM 1558 N ASN A 102 -11.242 2.800 9.990 1.00 0.00 N ATOM 1559 CA ASN A 102 -10.428 2.569 11.185 1.00 0.00 C ATOM 1560 C ASN A 102 -9.287 1.596 10.889 1.00 0.00 C ATOM 1561 O ASN A 102 -8.826 0.869 11.769 1.00 0.00 O ATOM 1562 CB ASN A 102 -11.298 2.023 12.320 1.00 0.00 C ATOM 1563 CG ASN A 102 -10.739 2.357 13.689 1.00 0.00 C ATOM 1564 OD1 ASN A 102 -10.733 3.514 14.105 1.00 0.00 O ATOM 1565 ND2 ASN A 102 -10.265 1.338 14.399 1.00 0.00 N ATOM 0 H ASN A 102 -11.423 3.783 9.787 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.997 3.522 11.491 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.304 2.432 12.232 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -11.384 0.941 12.220 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -9.877 1.501 15.328 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.290 0.393 14.015 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.857 1.585 9.634 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.790 0.702 9.179 1.00 0.00 C ATOM 1574 C GLN A 103 -6.407 1.256 9.498 1.00 0.00 C ATOM 1575 O GLN A 103 -6.269 2.320 10.102 1.00 0.00 O ATOM 1576 CB GLN A 103 -7.917 0.502 7.672 1.00 0.00 C ATOM 1577 CG GLN A 103 -9.196 -0.203 7.271 1.00 0.00 C ATOM 1578 CD GLN A 103 -9.063 -1.715 7.281 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -9.875 -2.415 7.883 1.00 0.00 O ATOM 1580 NE2 GLN A 103 -8.035 -2.224 6.612 1.00 0.00 N ATOM 0 H GLN A 103 -9.237 2.187 8.903 1.00 0.00 H new ATOM 0 HA GLN A 103 -7.895 -0.246 9.707 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.874 1.473 7.178 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.064 -0.075 7.315 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.996 0.091 7.951 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.489 0.125 6.273 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -7.386 -1.605 6.127 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.895 -3.234 6.584 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.382 0.524 9.064 1.00 0.00 N ATOM 1590 CA TYR A 104 -4.001 0.937 9.269 1.00 0.00 C ATOM 1591 C TYR A 104 -3.587 1.864 8.140 1.00 0.00 C ATOM 1592 O TYR A 104 -3.207 1.413 7.061 1.00 0.00 O ATOM 1593 CB TYR A 104 -3.082 -0.289 9.305 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.759 -0.054 10.001 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.685 0.696 11.168 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.580 -0.596 9.496 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.478 0.900 11.811 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.630 -0.394 10.134 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.675 0.354 11.291 1.00 0.00 C ATOM 1600 OH TYR A 104 1.876 0.555 11.930 1.00 0.00 O ATOM 0 H TYR A 104 -5.486 -0.361 8.567 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.917 1.460 10.221 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.603 -1.105 9.806 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.889 -0.614 8.283 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.585 1.127 11.580 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.611 -1.184 8.591 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.439 1.485 12.718 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.535 -0.820 9.728 1.00 0.00 H new ATOM 0 HH TYR A 104 2.411 1.202 11.424 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.680 3.163 8.385 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.334 4.151 7.373 1.00 0.00 C ATOM 1612 C TRP A 105 -1.994 4.810 7.680 1.00 0.00 C ATOM 1613 O TRP A 105 -1.716 5.177 8.821 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.431 5.213 7.282 1.00 0.00 C ATOM 1615 CG TRP A 105 -5.821 4.646 7.302 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.586 4.370 8.401 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.614 4.274 6.170 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -7.805 3.881 8.018 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -7.843 3.805 6.656 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.412 4.295 4.793 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -8.854 3.365 5.815 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.425 3.849 3.967 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.629 3.393 4.485 1.00 0.00 C ATOM 0 H TRP A 105 -3.991 3.557 9.273 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.247 3.638 6.415 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.320 5.910 8.113 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.295 5.786 6.365 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.273 4.517 9.424 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.562 3.616 8.648 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.481 4.653 4.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.793 3.011 6.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.277 3.855 2.897 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.401 3.054 3.810 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.170 4.959 6.648 1.00 0.00 N ATOM 1635 CA VAL A 106 0.141 5.576 6.801 1.00 0.00 C ATOM 1636 C VAL A 106 0.039 7.096 6.774 1.00 0.00 C ATOM 1637 O VAL A 106 -0.660 7.626 5.883 1.00 0.00 O ATOM 1638 CB VAL A 106 1.110 5.118 5.695 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.529 3.674 5.915 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.476 5.294 4.322 1.00 0.00 C ATOM 1641 OXT VAL A 106 0.656 7.746 7.643 1.00 0.00 O ATOM 0 H VAL A 106 -1.388 4.661 5.697 1.00 0.00 H new ATOM 0 HA VAL A 106 0.529 5.258 7.768 1.00 0.00 H new ATOM 0 HB VAL A 106 2.003 5.741 5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.213 3.369 5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.027 3.583 6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.648 3.033 5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.175 4.965 3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.435 4.698 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.233 6.345 4.166 1.00 0.00 H new TER 1651 VAL A 106