USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 574 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 11 CYS SG : rot -62:sc= 0.509! USER MOD Set 1.2: A 29 SER OG : rot 146:sc= 1.37 USER MOD Set 1.3: A 36 TYR OH : rot 66:sc= 1.79 USER MOD Set 1.4: A 45 MET CE :methyl 161:sc=-0.00565 (180deg=-0.363) USER MOD Set 2.1: A 39 LYS NZ :NH3+ 169:sc= 1.25 (180deg=-0.0293) USER MOD Set 2.2: A 44 TYR OH : rot 90:sc= 1.13 USER MOD Set 3.1: A 20 TYR OH : rot 165:sc= 0.663 USER MOD Set 3.2: A 25 GLN : amide:sc= 0.0386 K(o=0.7,f=-0.21) USER MOD Single : A 1 MET CE :methyl -153:sc= 0 (180deg=-1.3) USER MOD Single : A 1 MET N :NH3+ -156:sc= 1.27 (180deg=0.913) USER MOD Single : A 3 LYS NZ :NH3+ -170:sc= 1.87 (180deg=1.56) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 120:sc= -0.584 USER MOD Single : A 15 LYS NZ :NH3+ 171:sc= 0.134 (180deg=-0.00541) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.156 K(o=0.16,f=-3.5!) USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0627) USER MOD Single : A 48 ASN : amide:sc= 1.06 K(o=1.1,f=-0.019) USER MOD Single : A 54 SER OG : rot -72:sc= 1.22 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 64 HIS : no HD1:sc= -0.0324 X(o=-0.032,f=-0.0078) USER MOD Single : A 65 HIS : no HD1:sc= -0.0637 X(o=-0.064,f=-0.41) USER MOD Single : A 66 HIS : no HD1:sc= -0.819 K(o=-0.82,f=-0.046) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HE2:sc= 0.576 K(o=0.58,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.552 11.789 -8.484 1.00 0.00 N ATOM 2 CA MET A 1 9.506 11.185 -7.632 1.00 0.00 C ATOM 3 C MET A 1 8.236 11.030 -8.456 1.00 0.00 C ATOM 4 O MET A 1 7.477 11.981 -8.644 1.00 0.00 O ATOM 5 CB MET A 1 9.250 12.063 -6.403 1.00 0.00 C ATOM 6 CG MET A 1 8.430 11.381 -5.324 1.00 0.00 C ATOM 7 SD MET A 1 8.178 12.440 -3.884 1.00 0.00 S ATOM 8 CE MET A 1 7.396 11.299 -2.746 1.00 0.00 C ATOM 0 H1 MET A 1 11.490 11.540 -8.111 1.00 0.00 H new ATOM 0 H2 MET A 1 10.459 11.430 -9.455 1.00 0.00 H new ATOM 0 H3 MET A 1 10.444 12.823 -8.486 1.00 0.00 H new ATOM 0 HA MET A 1 9.833 10.206 -7.281 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.207 12.368 -5.980 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.736 12.971 -6.717 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.462 11.092 -5.734 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.931 10.464 -5.015 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.767 11.853 -2.050 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.783 10.591 -3.304 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.162 10.757 -2.191 1.00 0.00 H new ATOM 20 N GLU A 2 8.010 9.823 -8.945 1.00 0.00 N ATOM 21 CA GLU A 2 7.042 9.599 -10.009 1.00 0.00 C ATOM 22 C GLU A 2 5.660 9.204 -9.500 1.00 0.00 C ATOM 23 O GLU A 2 4.934 8.478 -10.178 1.00 0.00 O ATOM 24 CB GLU A 2 7.566 8.542 -10.987 1.00 0.00 C ATOM 25 CG GLU A 2 8.605 9.069 -11.974 1.00 0.00 C ATOM 26 CD GLU A 2 9.903 9.494 -11.318 1.00 0.00 C ATOM 27 OE1 GLU A 2 10.805 8.646 -11.177 1.00 0.00 O ATOM 28 OE2 GLU A 2 10.035 10.680 -10.952 1.00 0.00 O ATOM 0 H GLU A 2 8.484 8.980 -8.622 1.00 0.00 H new ATOM 0 HA GLU A 2 6.921 10.554 -10.521 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.004 7.721 -10.419 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.725 8.130 -11.546 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.817 8.296 -12.713 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.185 9.918 -12.513 1.00 0.00 H new ATOM 35 N LYS A 3 5.265 9.700 -8.334 1.00 0.00 N ATOM 36 CA LYS A 3 3.879 9.540 -7.918 1.00 0.00 C ATOM 37 C LYS A 3 3.032 10.619 -8.580 1.00 0.00 C ATOM 38 O LYS A 3 2.743 11.673 -8.009 1.00 0.00 O ATOM 39 CB LYS A 3 3.696 9.523 -6.397 1.00 0.00 C ATOM 40 CG LYS A 3 4.459 10.589 -5.634 1.00 0.00 C ATOM 41 CD LYS A 3 3.997 10.680 -4.183 1.00 0.00 C ATOM 42 CE LYS A 3 4.044 9.336 -3.461 1.00 0.00 C ATOM 43 NZ LYS A 3 2.693 8.722 -3.326 1.00 0.00 N ATOM 0 H LYS A 3 5.864 10.201 -7.678 1.00 0.00 H new ATOM 0 HA LYS A 3 3.543 8.558 -8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.634 9.632 -6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.001 8.546 -6.023 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.525 10.365 -5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.322 11.554 -6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.625 11.395 -3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.978 11.067 -4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.698 8.655 -4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.480 9.472 -2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.746 7.903 -2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.031 9.422 -2.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.358 8.412 -4.260 1.00 0.00 H new ATOM 57 N LYS A 4 2.685 10.329 -9.818 1.00 0.00 N ATOM 58 CA LYS A 4 1.985 11.250 -10.705 1.00 0.00 C ATOM 59 C LYS A 4 0.474 11.122 -10.517 1.00 0.00 C ATOM 60 O LYS A 4 0.019 10.582 -9.513 1.00 0.00 O ATOM 61 CB LYS A 4 2.391 10.917 -12.140 1.00 0.00 C ATOM 62 CG LYS A 4 2.272 12.068 -13.120 1.00 0.00 C ATOM 63 CD LYS A 4 2.929 11.698 -14.433 1.00 0.00 C ATOM 64 CE LYS A 4 2.785 12.790 -15.479 1.00 0.00 C ATOM 65 NZ LYS A 4 3.555 12.475 -16.713 1.00 0.00 N ATOM 0 H LYS A 4 2.884 9.427 -10.250 1.00 0.00 H new ATOM 0 HA LYS A 4 2.253 12.281 -10.476 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.423 10.566 -12.138 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.774 10.092 -12.495 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.222 12.310 -13.284 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.743 12.959 -12.706 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.987 11.498 -14.263 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.487 10.776 -14.811 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.732 12.917 -15.730 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.131 13.738 -15.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.433 13.243 -17.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.563 12.378 -16.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.208 11.584 -17.121 1.00 0.00 H new ATOM 79 N PHE A 5 -0.305 11.618 -11.474 1.00 0.00 N ATOM 80 CA PHE A 5 -1.762 11.500 -11.417 1.00 0.00 C ATOM 81 C PHE A 5 -2.202 10.034 -11.471 1.00 0.00 C ATOM 82 O PHE A 5 -3.372 9.716 -11.271 1.00 0.00 O ATOM 83 CB PHE A 5 -2.406 12.281 -12.563 1.00 0.00 C ATOM 84 CG PHE A 5 -2.185 13.764 -12.483 1.00 0.00 C ATOM 85 CD1 PHE A 5 -2.950 14.546 -11.634 1.00 0.00 C ATOM 86 CD2 PHE A 5 -1.216 14.378 -13.262 1.00 0.00 C ATOM 87 CE1 PHE A 5 -2.755 15.912 -11.560 1.00 0.00 C ATOM 88 CE2 PHE A 5 -1.014 15.744 -13.194 1.00 0.00 C ATOM 89 CZ PHE A 5 -1.785 16.513 -12.341 1.00 0.00 C ATOM 0 H PHE A 5 0.046 12.105 -12.298 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.093 11.921 -10.468 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.008 11.914 -13.509 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.478 12.082 -12.569 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.709 14.082 -11.022 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.612 13.782 -13.930 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.359 16.509 -10.893 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.256 16.210 -13.806 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.630 17.580 -12.285 1.00 0.00 H new ATOM 99 N LEU A 6 -1.256 9.145 -11.746 1.00 0.00 N ATOM 100 CA LEU A 6 -1.514 7.710 -11.723 1.00 0.00 C ATOM 101 C LEU A 6 -1.440 7.174 -10.294 1.00 0.00 C ATOM 102 O LEU A 6 -1.785 6.027 -10.029 1.00 0.00 O ATOM 103 CB LEU A 6 -0.518 6.978 -12.639 1.00 0.00 C ATOM 104 CG LEU A 6 0.960 7.355 -12.475 1.00 0.00 C ATOM 105 CD1 LEU A 6 1.572 6.707 -11.240 1.00 0.00 C ATOM 106 CD2 LEU A 6 1.745 6.973 -13.720 1.00 0.00 C ATOM 0 H LEU A 6 -0.297 9.394 -11.989 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.522 7.528 -12.097 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.619 5.906 -12.467 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.805 7.163 -13.674 1.00 0.00 H new ATOM 0 HG LEU A 6 1.013 8.435 -12.341 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.619 6.998 -11.158 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.033 7.036 -10.352 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.502 5.623 -11.326 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.792 7.247 -13.588 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.669 5.898 -13.883 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.338 7.500 -14.583 1.00 0.00 H new ATOM 118 N ASP A 7 -1.004 8.028 -9.373 1.00 0.00 N ATOM 119 CA ASP A 7 -0.828 7.644 -7.976 1.00 0.00 C ATOM 120 C ASP A 7 -2.032 8.097 -7.149 1.00 0.00 C ATOM 121 O ASP A 7 -1.955 8.275 -5.933 1.00 0.00 O ATOM 122 CB ASP A 7 0.469 8.249 -7.432 1.00 0.00 C ATOM 123 CG ASP A 7 0.887 7.670 -6.095 1.00 0.00 C ATOM 124 OD1 ASP A 7 1.379 6.527 -6.064 1.00 0.00 O ATOM 125 OD2 ASP A 7 0.749 8.371 -5.072 1.00 0.00 O ATOM 0 H ASP A 7 -0.764 8.999 -9.572 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.759 6.558 -7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.268 8.088 -8.156 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.344 9.327 -7.330 1.00 0.00 H new ATOM 130 N ILE A 8 -3.159 8.262 -7.829 1.00 0.00 N ATOM 131 CA ILE A 8 -4.419 8.590 -7.168 1.00 0.00 C ATOM 132 C ILE A 8 -5.037 7.339 -6.548 1.00 0.00 C ATOM 133 O ILE A 8 -6.192 7.344 -6.117 1.00 0.00 O ATOM 134 CB ILE A 8 -5.427 9.248 -8.146 1.00 0.00 C ATOM 135 CG1 ILE A 8 -5.598 8.426 -9.437 1.00 0.00 C ATOM 136 CG2 ILE A 8 -4.990 10.663 -8.482 1.00 0.00 C ATOM 137 CD1 ILE A 8 -6.505 7.217 -9.306 1.00 0.00 C ATOM 0 H ILE A 8 -3.228 8.174 -8.843 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.196 9.310 -6.381 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.394 9.279 -7.644 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.994 9.077 -10.216 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.616 8.091 -9.771 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.707 11.112 -9.169 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.943 11.256 -7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.006 10.638 -8.950 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.564 6.701 -10.264 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.102 6.539 -8.554 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.502 7.541 -9.006 1.00 0.00 H new ATOM 149 N LEU A 9 -4.242 6.278 -6.508 1.00 0.00 N ATOM 150 CA LEU A 9 -4.692 4.973 -6.060 1.00 0.00 C ATOM 151 C LEU A 9 -5.124 5.000 -4.602 1.00 0.00 C ATOM 152 O LEU A 9 -4.357 5.383 -3.712 1.00 0.00 O ATOM 153 CB LEU A 9 -3.581 3.942 -6.255 1.00 0.00 C ATOM 154 CG LEU A 9 -3.052 3.819 -7.684 1.00 0.00 C ATOM 155 CD1 LEU A 9 -1.902 2.825 -7.737 1.00 0.00 C ATOM 156 CD2 LEU A 9 -4.168 3.402 -8.629 1.00 0.00 C ATOM 0 H LEU A 9 -3.261 6.302 -6.788 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.558 4.694 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.750 4.198 -5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.951 2.968 -5.936 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.680 4.792 -8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.535 2.747 -8.760 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.096 3.166 -7.087 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.250 1.848 -7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.775 3.319 -9.642 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.569 2.438 -8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.961 4.149 -8.608 1.00 0.00 H new ATOM 168 N VAL A 10 -6.363 4.604 -4.381 1.00 0.00 N ATOM 169 CA VAL A 10 -6.921 4.489 -3.046 1.00 0.00 C ATOM 170 C VAL A 10 -7.779 3.234 -2.962 1.00 0.00 C ATOM 171 O VAL A 10 -8.367 2.808 -3.961 1.00 0.00 O ATOM 172 CB VAL A 10 -7.776 5.720 -2.652 1.00 0.00 C ATOM 173 CG1 VAL A 10 -6.914 6.965 -2.497 1.00 0.00 C ATOM 174 CG2 VAL A 10 -8.882 5.958 -3.670 1.00 0.00 C ATOM 0 H VAL A 10 -7.014 4.352 -5.125 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.086 4.433 -2.348 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.236 5.509 -1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.543 7.811 -2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.169 6.797 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.412 7.180 -3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.469 6.827 -3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.441 6.136 -4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.529 5.082 -3.716 1.00 0.00 H new ATOM 184 N CYS A 11 -7.823 2.620 -1.790 1.00 0.00 N ATOM 185 CA CYS A 11 -8.671 1.454 -1.591 1.00 0.00 C ATOM 186 C CYS A 11 -10.140 1.870 -1.618 1.00 0.00 C ATOM 187 O CYS A 11 -10.494 2.929 -1.107 1.00 0.00 O ATOM 188 CB CYS A 11 -8.343 0.788 -0.256 1.00 0.00 C ATOM 189 SG CYS A 11 -6.591 0.411 -0.036 1.00 0.00 S ATOM 0 H CYS A 11 -7.288 2.905 -0.970 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.487 0.741 -2.395 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.668 1.441 0.554 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.916 -0.135 -0.171 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.213 -0.439 -0.944 1.00 0.00 H new ATOM 195 N PRO A 12 -11.018 1.037 -2.195 1.00 0.00 N ATOM 196 CA PRO A 12 -12.444 1.360 -2.316 1.00 0.00 C ATOM 197 C PRO A 12 -13.152 1.398 -0.963 1.00 0.00 C ATOM 198 O PRO A 12 -13.969 2.281 -0.700 1.00 0.00 O ATOM 199 CB PRO A 12 -13.009 0.223 -3.181 1.00 0.00 C ATOM 200 CG PRO A 12 -11.820 -0.456 -3.779 1.00 0.00 C ATOM 201 CD PRO A 12 -10.699 -0.265 -2.802 1.00 0.00 C ATOM 0 HA PRO A 12 -12.593 2.351 -2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.596 -0.472 -2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.670 0.611 -3.956 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.018 -1.515 -3.944 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.571 -0.024 -4.748 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.669 -1.062 -2.059 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.728 -0.254 -3.297 1.00 0.00 H new ATOM 209 N VAL A 13 -12.810 0.448 -0.103 1.00 0.00 N ATOM 210 CA VAL A 13 -13.483 0.293 1.180 1.00 0.00 C ATOM 211 C VAL A 13 -12.981 1.306 2.209 1.00 0.00 C ATOM 212 O VAL A 13 -13.765 2.058 2.781 1.00 0.00 O ATOM 213 CB VAL A 13 -13.296 -1.139 1.735 1.00 0.00 C ATOM 214 CG1 VAL A 13 -14.088 -1.327 3.019 1.00 0.00 C ATOM 215 CG2 VAL A 13 -13.702 -2.174 0.698 1.00 0.00 C ATOM 0 H VAL A 13 -12.067 -0.230 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.543 0.475 1.004 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.239 -1.280 1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.942 -2.341 3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.744 -0.613 3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.147 -1.163 2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.563 -3.174 1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.750 -2.033 0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.085 -2.058 -0.193 1.00 0.00 H new ATOM 225 N THR A 14 -11.675 1.329 2.429 1.00 0.00 N ATOM 226 CA THR A 14 -11.093 2.160 3.476 1.00 0.00 C ATOM 227 C THR A 14 -10.738 3.559 2.974 1.00 0.00 C ATOM 228 O THR A 14 -10.621 4.493 3.767 1.00 0.00 O ATOM 229 CB THR A 14 -9.836 1.489 4.053 1.00 0.00 C ATOM 230 OG1 THR A 14 -8.980 1.063 2.981 1.00 0.00 O ATOM 231 CG2 THR A 14 -10.210 0.291 4.914 1.00 0.00 C ATOM 0 H THR A 14 -10.997 0.783 1.898 1.00 0.00 H new ATOM 0 HA THR A 14 -11.848 2.266 4.255 1.00 0.00 H new ATOM 0 HB THR A 14 -9.312 2.214 4.676 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.112 1.511 3.058 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.305 -0.168 5.312 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.843 0.619 5.739 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.750 -0.437 4.309 1.00 0.00 H new ATOM 239 N LYS A 15 -10.576 3.691 1.658 1.00 0.00 N ATOM 240 CA LYS A 15 -10.208 4.963 1.033 1.00 0.00 C ATOM 241 C LYS A 15 -8.912 5.515 1.611 1.00 0.00 C ATOM 242 O LYS A 15 -8.791 6.712 1.880 1.00 0.00 O ATOM 243 CB LYS A 15 -11.340 5.979 1.167 1.00 0.00 C ATOM 244 CG LYS A 15 -12.528 5.663 0.277 1.00 0.00 C ATOM 245 CD LYS A 15 -13.634 6.692 0.425 1.00 0.00 C ATOM 246 CE LYS A 15 -14.750 6.442 -0.571 1.00 0.00 C ATOM 247 NZ LYS A 15 -15.345 5.088 -0.423 1.00 0.00 N ATOM 0 H LYS A 15 -10.695 2.924 0.997 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.040 4.774 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.670 6.013 2.205 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.962 6.971 0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.203 5.626 -0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.915 4.675 0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.033 6.658 1.439 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.227 7.692 0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.527 7.195 -0.439 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.363 6.558 -1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.197 5.017 -1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.654 4.371 -0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.601 4.928 0.572 1.00 0.00 H new ATOM 261 N GLY A 16 -7.947 4.627 1.805 1.00 0.00 N ATOM 262 CA GLY A 16 -6.627 5.045 2.217 1.00 0.00 C ATOM 263 C GLY A 16 -5.680 5.095 1.040 1.00 0.00 C ATOM 264 O GLY A 16 -5.881 4.383 0.053 1.00 0.00 O ATOM 0 H GLY A 16 -8.058 3.620 1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.683 6.028 2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.242 4.356 2.969 1.00 0.00 H new ATOM 268 N ARG A 17 -4.659 5.937 1.132 1.00 0.00 N ATOM 269 CA ARG A 17 -3.708 6.091 0.062 1.00 0.00 C ATOM 270 C ARG A 17 -2.856 4.840 -0.094 1.00 0.00 C ATOM 271 O ARG A 17 -2.615 4.112 0.873 1.00 0.00 O ATOM 272 CB ARG A 17 -2.816 7.296 0.333 1.00 0.00 C ATOM 273 CG ARG A 17 -1.956 7.171 1.582 1.00 0.00 C ATOM 274 CD ARG A 17 -0.879 8.245 1.617 1.00 0.00 C ATOM 275 NE ARG A 17 -0.090 8.200 2.848 1.00 0.00 N ATOM 276 CZ ARG A 17 1.208 8.500 2.914 1.00 0.00 C ATOM 277 NH1 ARG A 17 1.880 8.801 1.810 1.00 0.00 N ATOM 278 NH2 ARG A 17 1.838 8.485 4.083 1.00 0.00 N ATOM 0 H ARG A 17 -4.476 6.523 1.946 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.258 6.248 -0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.165 7.452 -0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.442 8.183 0.425 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.584 7.253 2.469 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.492 6.185 1.610 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.218 8.121 0.759 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.344 9.226 1.522 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.561 7.922 3.709 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.404 8.803 0.908 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.873 9.030 1.864 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.329 8.244 4.933 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.831 8.715 4.130 1.00 0.00 H new ATOM 292 N LEU A 18 -2.410 4.599 -1.311 1.00 0.00 N ATOM 293 CA LEU A 18 -1.581 3.446 -1.605 1.00 0.00 C ATOM 294 C LEU A 18 -0.167 3.876 -1.958 1.00 0.00 C ATOM 295 O LEU A 18 0.047 4.608 -2.925 1.00 0.00 O ATOM 296 CB LEU A 18 -2.186 2.635 -2.752 1.00 0.00 C ATOM 297 CG LEU A 18 -3.525 1.971 -2.434 1.00 0.00 C ATOM 298 CD1 LEU A 18 -4.113 1.335 -3.680 1.00 0.00 C ATOM 299 CD2 LEU A 18 -3.352 0.930 -1.339 1.00 0.00 C ATOM 0 H LEU A 18 -2.609 5.191 -2.118 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.539 2.820 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.318 3.292 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.475 1.863 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.215 2.737 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.066 0.867 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.270 2.101 -4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.426 0.580 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.314 0.466 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.647 0.167 -1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.971 1.410 -0.438 1.00 0.00 H new ATOM 311 N GLU A 19 0.787 3.438 -1.157 1.00 0.00 N ATOM 312 CA GLU A 19 2.190 3.676 -1.440 1.00 0.00 C ATOM 313 C GLU A 19 2.817 2.402 -1.989 1.00 0.00 C ATOM 314 O GLU A 19 2.790 1.355 -1.333 1.00 0.00 O ATOM 315 CB GLU A 19 2.932 4.127 -0.178 1.00 0.00 C ATOM 316 CG GLU A 19 2.499 5.491 0.346 1.00 0.00 C ATOM 317 CD GLU A 19 2.910 6.637 -0.564 1.00 0.00 C ATOM 318 OE1 GLU A 19 4.125 6.918 -0.664 1.00 0.00 O ATOM 319 OE2 GLU A 19 2.026 7.275 -1.167 1.00 0.00 O ATOM 0 H GLU A 19 0.614 2.912 -0.300 1.00 0.00 H new ATOM 0 HA GLU A 19 2.270 4.471 -2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.779 3.384 0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.001 4.153 -0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.416 5.500 0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.930 5.647 1.335 1.00 0.00 H new ATOM 326 N TYR A 20 3.353 2.481 -3.197 1.00 0.00 N ATOM 327 CA TYR A 20 3.967 1.325 -3.827 1.00 0.00 C ATOM 328 C TYR A 20 5.374 1.109 -3.286 1.00 0.00 C ATOM 329 O TYR A 20 6.223 2.002 -3.348 1.00 0.00 O ATOM 330 CB TYR A 20 4.005 1.495 -5.350 1.00 0.00 C ATOM 331 CG TYR A 20 4.593 0.306 -6.081 1.00 0.00 C ATOM 332 CD1 TYR A 20 3.846 -0.849 -6.285 1.00 0.00 C ATOM 333 CD2 TYR A 20 5.896 0.336 -6.562 1.00 0.00 C ATOM 334 CE1 TYR A 20 4.381 -1.937 -6.951 1.00 0.00 C ATOM 335 CE2 TYR A 20 6.437 -0.747 -7.227 1.00 0.00 C ATOM 336 CZ TYR A 20 5.677 -1.881 -7.418 1.00 0.00 C ATOM 337 OH TYR A 20 6.214 -2.961 -8.082 1.00 0.00 O ATOM 0 H TYR A 20 3.375 3.332 -3.759 1.00 0.00 H new ATOM 0 HA TYR A 20 3.364 0.448 -3.592 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.992 1.668 -5.713 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.587 2.384 -5.593 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.832 -0.897 -5.917 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.496 1.221 -6.413 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.787 -2.826 -7.104 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.451 -0.705 -7.596 1.00 0.00 H new ATOM 0 HH TYR A 20 7.030 -2.685 -8.550 1.00 0.00 H new ATOM 347 N HIS A 21 5.615 -0.071 -2.738 1.00 0.00 N ATOM 348 CA HIS A 21 6.939 -0.426 -2.260 1.00 0.00 C ATOM 349 C HIS A 21 7.582 -1.401 -3.236 1.00 0.00 C ATOM 350 O HIS A 21 7.201 -2.573 -3.295 1.00 0.00 O ATOM 351 CB HIS A 21 6.865 -1.036 -0.854 1.00 0.00 C ATOM 352 CG HIS A 21 8.202 -1.193 -0.200 1.00 0.00 C ATOM 353 ND1 HIS A 21 8.691 -2.404 0.243 1.00 0.00 N ATOM 354 CD2 HIS A 21 9.151 -0.273 0.101 1.00 0.00 C ATOM 355 CE1 HIS A 21 9.880 -2.223 0.788 1.00 0.00 C ATOM 356 NE2 HIS A 21 10.180 -0.941 0.712 1.00 0.00 N ATOM 0 H HIS A 21 4.911 -0.798 -2.614 1.00 0.00 H new ATOM 0 HA HIS A 21 7.550 0.475 -2.198 1.00 0.00 H new ATOM 0 HB2 HIS A 21 6.234 -0.407 -0.226 1.00 0.00 H new ATOM 0 HB3 HIS A 21 6.382 -2.011 -0.915 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.105 0.787 -0.102 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.501 -2.993 1.222 1.00 0.00 H new ATOM 0 HE2 HIS A 21 11.041 -0.514 1.054 1.00 0.00 H new ATOM 365 N GLN A 22 8.531 -0.906 -4.021 1.00 0.00 N ATOM 366 CA GLN A 22 9.198 -1.733 -5.016 1.00 0.00 C ATOM 367 C GLN A 22 10.113 -2.733 -4.325 1.00 0.00 C ATOM 368 O GLN A 22 11.185 -2.381 -3.829 1.00 0.00 O ATOM 369 CB GLN A 22 9.985 -0.876 -6.015 1.00 0.00 C ATOM 370 CG GLN A 22 10.568 -1.682 -7.167 1.00 0.00 C ATOM 371 CD GLN A 22 11.199 -0.823 -8.248 1.00 0.00 C ATOM 372 OE1 GLN A 22 10.792 0.317 -8.478 1.00 0.00 O ATOM 373 NE2 GLN A 22 12.198 -1.367 -8.922 1.00 0.00 N ATOM 0 H GLN A 22 8.854 0.061 -3.987 1.00 0.00 H new ATOM 0 HA GLN A 22 8.439 -2.276 -5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.330 -0.103 -6.416 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.794 -0.368 -5.490 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.318 -2.369 -6.776 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.779 -2.290 -7.611 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.506 -2.314 -8.702 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.661 -0.840 -9.662 1.00 0.00 H new ATOM 382 N ASP A 23 9.656 -3.976 -4.280 1.00 0.00 N ATOM 383 CA ASP A 23 10.354 -5.045 -3.579 1.00 0.00 C ATOM 384 C ASP A 23 9.698 -6.383 -3.894 1.00 0.00 C ATOM 385 O ASP A 23 10.325 -7.282 -4.449 1.00 0.00 O ATOM 386 CB ASP A 23 10.330 -4.787 -2.069 1.00 0.00 C ATOM 387 CG ASP A 23 10.789 -5.978 -1.253 1.00 0.00 C ATOM 388 OD1 ASP A 23 11.992 -6.308 -1.288 1.00 0.00 O ATOM 389 OD2 ASP A 23 9.946 -6.572 -0.549 1.00 0.00 O ATOM 0 H ASP A 23 8.790 -4.273 -4.729 1.00 0.00 H new ATOM 0 HA ASP A 23 11.391 -5.072 -3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.967 -3.932 -1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.317 -4.518 -1.769 1.00 0.00 H new ATOM 394 N LYS A 24 8.424 -6.501 -3.547 1.00 0.00 N ATOM 395 CA LYS A 24 7.672 -7.713 -3.817 1.00 0.00 C ATOM 396 C LYS A 24 6.372 -7.392 -4.549 1.00 0.00 C ATOM 397 O LYS A 24 5.429 -8.185 -4.534 1.00 0.00 O ATOM 398 CB LYS A 24 7.385 -8.453 -2.511 1.00 0.00 C ATOM 399 CG LYS A 24 6.664 -7.618 -1.465 1.00 0.00 C ATOM 400 CD LYS A 24 6.412 -8.420 -0.201 1.00 0.00 C ATOM 401 CE LYS A 24 5.702 -7.592 0.853 1.00 0.00 C ATOM 402 NZ LYS A 24 5.421 -8.380 2.079 1.00 0.00 N ATOM 0 H LYS A 24 7.891 -5.769 -3.077 1.00 0.00 H new ATOM 0 HA LYS A 24 8.271 -8.357 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.785 -9.336 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.328 -8.805 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.259 -6.736 -1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.716 -7.264 -1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.812 -9.298 -0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.360 -8.781 0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.315 -6.728 1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.766 -7.210 0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.935 -7.778 2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.815 -9.191 1.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.315 -8.724 2.483 1.00 0.00 H new ATOM 416 N GLN A 25 6.355 -6.234 -5.215 1.00 0.00 N ATOM 417 CA GLN A 25 5.200 -5.775 -5.986 1.00 0.00 C ATOM 418 C GLN A 25 3.899 -5.817 -5.178 1.00 0.00 C ATOM 419 O GLN A 25 2.885 -6.335 -5.646 1.00 0.00 O ATOM 420 CB GLN A 25 5.062 -6.612 -7.262 1.00 0.00 C ATOM 421 CG GLN A 25 6.082 -6.279 -8.348 1.00 0.00 C ATOM 422 CD GLN A 25 7.526 -6.280 -7.873 1.00 0.00 C ATOM 423 OE1 GLN A 25 8.184 -7.321 -7.857 1.00 0.00 O ATOM 424 NE2 GLN A 25 8.040 -5.107 -7.531 1.00 0.00 N ATOM 0 H GLN A 25 7.144 -5.588 -5.234 1.00 0.00 H new ATOM 0 HA GLN A 25 5.376 -4.731 -6.247 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.157 -7.666 -7.002 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.060 -6.472 -7.667 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.979 -6.999 -9.160 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.848 -5.298 -8.761 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.460 -4.269 -7.558 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.016 -5.043 -7.241 1.00 0.00 H new ATOM 433 N GLU A 26 3.927 -5.255 -3.976 1.00 0.00 N ATOM 434 CA GLU A 26 2.739 -5.187 -3.140 1.00 0.00 C ATOM 435 C GLU A 26 2.448 -3.747 -2.737 1.00 0.00 C ATOM 436 O GLU A 26 3.368 -2.948 -2.541 1.00 0.00 O ATOM 437 CB GLU A 26 2.901 -6.068 -1.900 1.00 0.00 C ATOM 438 CG GLU A 26 2.733 -7.551 -2.184 1.00 0.00 C ATOM 439 CD GLU A 26 2.881 -8.411 -0.944 1.00 0.00 C ATOM 440 OE1 GLU A 26 2.492 -7.960 0.150 1.00 0.00 O ATOM 441 OE2 GLU A 26 3.407 -9.541 -1.059 1.00 0.00 O ATOM 0 H GLU A 26 4.761 -4.840 -3.560 1.00 0.00 H new ATOM 0 HA GLU A 26 1.893 -5.560 -3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.888 -5.898 -1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.170 -5.765 -1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.750 -7.722 -2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.471 -7.860 -2.924 1.00 0.00 H new ATOM 448 N LEU A 27 1.168 -3.417 -2.643 1.00 0.00 N ATOM 449 CA LEU A 27 0.742 -2.083 -2.244 1.00 0.00 C ATOM 450 C LEU A 27 0.493 -2.029 -0.746 1.00 0.00 C ATOM 451 O LEU A 27 -0.213 -2.876 -0.197 1.00 0.00 O ATOM 452 CB LEU A 27 -0.533 -1.672 -2.987 1.00 0.00 C ATOM 453 CG LEU A 27 -0.369 -1.413 -4.482 1.00 0.00 C ATOM 454 CD1 LEU A 27 -1.704 -1.043 -5.104 1.00 0.00 C ATOM 455 CD2 LEU A 27 0.649 -0.313 -4.722 1.00 0.00 C ATOM 0 H LEU A 27 0.401 -4.060 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 27 1.541 -1.388 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.280 -2.455 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.929 -0.770 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.007 -2.327 -4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.571 -0.861 -6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.411 -1.860 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.090 -0.142 -4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.753 -0.141 -5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.314 0.605 -4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.612 -0.611 -4.307 1.00 0.00 H new ATOM 467 N TRP A 28 1.065 -1.032 -0.092 1.00 0.00 N ATOM 468 CA TRP A 28 0.900 -0.865 1.344 1.00 0.00 C ATOM 469 C TRP A 28 -0.246 0.098 1.640 1.00 0.00 C ATOM 470 O TRP A 28 -0.196 1.268 1.258 1.00 0.00 O ATOM 471 CB TRP A 28 2.194 -0.339 1.974 1.00 0.00 C ATOM 472 CG TRP A 28 3.313 -1.341 2.026 1.00 0.00 C ATOM 473 CD1 TRP A 28 3.465 -2.458 1.253 1.00 0.00 C ATOM 474 CD2 TRP A 28 4.444 -1.306 2.905 1.00 0.00 C ATOM 475 NE1 TRP A 28 4.616 -3.121 1.604 1.00 0.00 N ATOM 476 CE2 TRP A 28 5.237 -2.431 2.612 1.00 0.00 C ATOM 477 CE3 TRP A 28 4.864 -0.430 3.909 1.00 0.00 C ATOM 478 CZ2 TRP A 28 6.423 -2.703 3.290 1.00 0.00 C ATOM 479 CZ3 TRP A 28 6.042 -0.701 4.581 1.00 0.00 C ATOM 480 CH2 TRP A 28 6.811 -1.829 4.267 1.00 0.00 C ATOM 0 H TRP A 28 1.650 -0.323 -0.534 1.00 0.00 H new ATOM 0 HA TRP A 28 0.666 -1.838 1.776 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.529 0.532 1.411 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.979 -0.001 2.988 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.780 -2.773 0.479 1.00 0.00 H new ATOM 0 HE1 TRP A 28 4.954 -3.986 1.183 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.279 0.444 4.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.015 -3.574 3.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.375 -0.032 5.361 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.728 -2.012 4.807 1.00 0.00 H new ATOM 491 N SER A 29 -1.277 -0.400 2.309 1.00 0.00 N ATOM 492 CA SER A 29 -2.412 0.423 2.687 1.00 0.00 C ATOM 493 C SER A 29 -2.442 0.610 4.200 1.00 0.00 C ATOM 494 O SER A 29 -2.848 -0.285 4.946 1.00 0.00 O ATOM 495 CB SER A 29 -3.717 -0.211 2.203 1.00 0.00 C ATOM 496 OG SER A 29 -4.828 0.627 2.473 1.00 0.00 O ATOM 0 H SER A 29 -1.348 -1.375 2.601 1.00 0.00 H new ATOM 0 HA SER A 29 -2.308 1.400 2.214 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.655 -0.403 1.132 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.859 -1.175 2.692 1.00 0.00 H new ATOM 0 HG SER A 29 -5.494 0.526 1.761 1.00 0.00 H new ATOM 502 N ARG A 30 -1.998 1.774 4.650 1.00 0.00 N ATOM 503 CA ARG A 30 -1.919 2.057 6.075 1.00 0.00 C ATOM 504 C ARG A 30 -3.315 2.156 6.682 1.00 0.00 C ATOM 505 O ARG A 30 -3.578 1.602 7.747 1.00 0.00 O ATOM 506 CB ARG A 30 -1.130 3.353 6.307 1.00 0.00 C ATOM 507 CG ARG A 30 -0.707 3.590 7.754 1.00 0.00 C ATOM 508 CD ARG A 30 -1.843 4.134 8.605 1.00 0.00 C ATOM 509 NE ARG A 30 -1.430 4.373 9.986 1.00 0.00 N ATOM 510 CZ ARG A 30 -1.222 5.587 10.492 1.00 0.00 C ATOM 511 NH1 ARG A 30 -1.382 6.659 9.729 1.00 0.00 N ATOM 512 NH2 ARG A 30 -0.858 5.732 11.761 1.00 0.00 N ATOM 0 H ARG A 30 -1.687 2.537 4.049 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.397 1.237 6.569 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.239 3.337 5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.737 4.196 5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.350 2.654 8.184 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.128 4.290 7.776 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.208 5.065 8.170 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.674 3.429 8.593 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.294 3.566 10.595 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.664 6.554 8.755 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.223 7.589 10.116 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.736 4.911 12.354 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.700 6.665 12.143 1.00 0.00 H new ATOM 526 N GLN A 31 -4.204 2.851 5.986 1.00 0.00 N ATOM 527 CA GLN A 31 -5.548 3.092 6.473 1.00 0.00 C ATOM 528 C GLN A 31 -6.348 1.796 6.608 1.00 0.00 C ATOM 529 O GLN A 31 -7.308 1.735 7.377 1.00 0.00 O ATOM 530 CB GLN A 31 -6.272 4.053 5.537 1.00 0.00 C ATOM 531 CG GLN A 31 -5.862 5.514 5.680 1.00 0.00 C ATOM 532 CD GLN A 31 -4.443 5.792 5.215 1.00 0.00 C ATOM 533 OE1 GLN A 31 -3.915 5.107 4.338 1.00 0.00 O ATOM 534 NE2 GLN A 31 -3.826 6.814 5.783 1.00 0.00 N ATOM 0 H GLN A 31 -4.012 3.261 5.072 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.466 3.534 7.466 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.094 3.739 4.508 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.344 3.972 5.714 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.552 6.135 5.108 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.958 5.810 6.725 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.298 7.357 6.506 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.878 7.060 5.498 1.00 0.00 H new ATOM 543 N ALA A 32 -5.958 0.769 5.857 1.00 0.00 N ATOM 544 CA ALA A 32 -6.645 -0.514 5.909 1.00 0.00 C ATOM 545 C ALA A 32 -5.881 -1.501 6.779 1.00 0.00 C ATOM 546 O ALA A 32 -6.393 -2.570 7.112 1.00 0.00 O ATOM 547 CB ALA A 32 -6.816 -1.076 4.506 1.00 0.00 C ATOM 0 H ALA A 32 -5.172 0.802 5.208 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.629 -0.357 6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.331 -2.035 4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.403 -0.382 3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.837 -1.214 4.048 1.00 0.00 H new ATOM 553 N LYS A 33 -4.654 -1.126 7.143 1.00 0.00 N ATOM 554 CA LYS A 33 -3.752 -1.997 7.894 1.00 0.00 C ATOM 555 C LYS A 33 -3.402 -3.240 7.088 1.00 0.00 C ATOM 556 O LYS A 33 -3.009 -4.265 7.648 1.00 0.00 O ATOM 557 CB LYS A 33 -4.372 -2.407 9.232 1.00 0.00 C ATOM 558 CG LYS A 33 -4.576 -1.261 10.205 1.00 0.00 C ATOM 559 CD LYS A 33 -5.329 -1.734 11.437 1.00 0.00 C ATOM 560 CE LYS A 33 -5.399 -0.668 12.514 1.00 0.00 C ATOM 561 NZ LYS A 33 -4.078 -0.431 13.154 1.00 0.00 N ATOM 0 H LYS A 33 -4.259 -0.211 6.925 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.839 -1.434 8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.334 -2.882 9.042 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.733 -3.156 9.700 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.610 -0.849 10.498 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.131 -0.458 9.719 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.340 -2.026 11.152 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.842 -2.622 11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.763 0.263 12.079 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.121 -0.968 13.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.199 0.188 13.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.672 -1.339 13.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.438 0.024 12.472 1.00 0.00 H new ATOM 575 N LEU A 34 -3.513 -3.137 5.772 1.00 0.00 N ATOM 576 CA LEU A 34 -3.310 -4.291 4.912 1.00 0.00 C ATOM 577 C LEU A 34 -2.334 -3.986 3.788 1.00 0.00 C ATOM 578 O LEU A 34 -1.928 -2.844 3.577 1.00 0.00 O ATOM 579 CB LEU A 34 -4.637 -4.745 4.296 1.00 0.00 C ATOM 580 CG LEU A 34 -5.770 -5.066 5.276 1.00 0.00 C ATOM 581 CD1 LEU A 34 -7.043 -5.406 4.517 1.00 0.00 C ATOM 582 CD2 LEU A 34 -5.379 -6.211 6.192 1.00 0.00 C ATOM 0 H LEU A 34 -3.741 -2.273 5.280 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.897 -5.083 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.983 -3.965 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.447 -5.632 3.691 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.954 -4.184 5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.840 -5.632 5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.336 -4.557 3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.867 -6.273 3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.198 -6.423 6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.168 -7.098 5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.490 -5.936 6.760 1.00 0.00 H new ATOM 594 N ALA A 35 -1.986 -5.033 3.071 1.00 0.00 N ATOM 595 CA ALA A 35 -1.161 -4.949 1.888 1.00 0.00 C ATOM 596 C ALA A 35 -1.607 -6.010 0.897 1.00 0.00 C ATOM 597 O ALA A 35 -1.897 -7.142 1.290 1.00 0.00 O ATOM 598 CB ALA A 35 0.309 -5.128 2.233 1.00 0.00 C ATOM 0 H ALA A 35 -2.275 -5.984 3.300 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.276 -3.960 1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.907 -5.060 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.617 -4.348 2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.458 -6.105 2.694 1.00 0.00 H new ATOM 604 N TYR A 36 -1.681 -5.660 -0.372 1.00 0.00 N ATOM 605 CA TYR A 36 -2.055 -6.634 -1.383 1.00 0.00 C ATOM 606 C TYR A 36 -1.177 -6.508 -2.619 1.00 0.00 C ATOM 607 O TYR A 36 -0.781 -5.405 -2.997 1.00 0.00 O ATOM 608 CB TYR A 36 -3.544 -6.531 -1.748 1.00 0.00 C ATOM 609 CG TYR A 36 -4.079 -5.126 -1.921 1.00 0.00 C ATOM 610 CD1 TYR A 36 -4.060 -4.497 -3.158 1.00 0.00 C ATOM 611 CD2 TYR A 36 -4.624 -4.439 -0.843 1.00 0.00 C ATOM 612 CE1 TYR A 36 -4.571 -3.223 -3.314 1.00 0.00 C ATOM 613 CE2 TYR A 36 -5.142 -3.170 -0.995 1.00 0.00 C ATOM 614 CZ TYR A 36 -5.110 -2.567 -2.230 1.00 0.00 C ATOM 615 OH TYR A 36 -5.641 -1.310 -2.387 1.00 0.00 O ATOM 0 H TYR A 36 -1.490 -4.723 -0.726 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.893 -7.624 -0.956 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.712 -7.081 -2.674 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.125 -7.029 -0.972 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.640 -5.010 -4.010 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.642 -4.907 0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.548 -2.744 -4.282 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.570 -2.653 -0.149 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.438 -1.360 -2.956 1.00 0.00 H new ATOM 625 N PRO A 37 -0.858 -7.649 -3.252 1.00 0.00 N ATOM 626 CA PRO A 37 0.056 -7.704 -4.394 1.00 0.00 C ATOM 627 C PRO A 37 -0.533 -7.113 -5.669 1.00 0.00 C ATOM 628 O PRO A 37 -1.754 -6.987 -5.819 1.00 0.00 O ATOM 629 CB PRO A 37 0.324 -9.207 -4.588 1.00 0.00 C ATOM 630 CG PRO A 37 -0.245 -9.879 -3.384 1.00 0.00 C ATOM 631 CD PRO A 37 -1.347 -8.987 -2.898 1.00 0.00 C ATOM 0 HA PRO A 37 0.952 -7.114 -4.199 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.147 -9.574 -5.500 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.392 -9.405 -4.679 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.625 -10.870 -3.633 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.516 -10.014 -2.616 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.296 -9.213 -3.385 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.507 -9.089 -1.825 1.00 0.00 H new ATOM 639 N ILE A 38 0.357 -6.753 -6.580 1.00 0.00 N ATOM 640 CA ILE A 38 -0.019 -6.238 -7.883 1.00 0.00 C ATOM 641 C ILE A 38 0.512 -7.150 -8.976 1.00 0.00 C ATOM 642 O ILE A 38 1.712 -7.407 -9.053 1.00 0.00 O ATOM 643 CB ILE A 38 0.542 -4.811 -8.085 1.00 0.00 C ATOM 644 CG1 ILE A 38 -0.231 -3.816 -7.219 1.00 0.00 C ATOM 645 CG2 ILE A 38 0.495 -4.396 -9.554 1.00 0.00 C ATOM 646 CD1 ILE A 38 -1.591 -3.465 -7.770 1.00 0.00 C ATOM 0 H ILE A 38 1.365 -6.811 -6.434 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.107 -6.202 -7.937 1.00 0.00 H new ATOM 0 HB ILE A 38 1.588 -4.811 -7.777 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.350 -4.233 -6.219 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.357 -2.904 -7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.897 -3.388 -9.660 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.092 -5.089 -10.147 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.537 -4.414 -9.904 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.081 -2.755 -7.104 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.479 -3.018 -8.758 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.197 -4.368 -7.847 1.00 0.00 H new ATOM 658 N LYS A 39 -0.379 -7.641 -9.819 1.00 0.00 N ATOM 659 CA LYS A 39 0.023 -8.465 -10.936 1.00 0.00 C ATOM 660 C LYS A 39 0.084 -7.628 -12.201 1.00 0.00 C ATOM 661 O LYS A 39 -0.781 -7.739 -13.068 1.00 0.00 O ATOM 662 CB LYS A 39 -0.941 -9.636 -11.114 1.00 0.00 C ATOM 663 CG LYS A 39 -0.903 -10.637 -9.970 1.00 0.00 C ATOM 664 CD LYS A 39 0.483 -11.234 -9.795 1.00 0.00 C ATOM 665 CE LYS A 39 0.544 -12.182 -8.608 1.00 0.00 C ATOM 666 NZ LYS A 39 -0.315 -13.385 -8.793 1.00 0.00 N ATOM 0 H LYS A 39 -1.384 -7.481 -9.748 1.00 0.00 H new ATOM 0 HA LYS A 39 1.015 -8.870 -10.734 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.955 -9.249 -11.213 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.705 -10.152 -12.045 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.208 -10.146 -9.046 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.622 -11.434 -10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.766 -11.769 -10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.209 -10.433 -9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.576 -12.497 -8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.232 -11.652 -7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.100 -14.083 -8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.316 -13.110 -8.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.130 -13.803 -9.727 1.00 0.00 H new ATOM 680 N ASP A 40 1.088 -6.754 -12.265 1.00 0.00 N ATOM 681 CA ASP A 40 1.304 -5.877 -13.422 1.00 0.00 C ATOM 682 C ASP A 40 0.038 -5.117 -13.806 1.00 0.00 C ATOM 683 O ASP A 40 -0.352 -5.083 -14.973 1.00 0.00 O ATOM 684 CB ASP A 40 1.827 -6.680 -14.616 1.00 0.00 C ATOM 685 CG ASP A 40 3.300 -7.001 -14.493 1.00 0.00 C ATOM 686 OD1 ASP A 40 4.128 -6.097 -14.736 1.00 0.00 O ATOM 687 OD2 ASP A 40 3.642 -8.152 -14.145 1.00 0.00 O ATOM 0 H ASP A 40 1.774 -6.632 -11.520 1.00 0.00 H new ATOM 0 HA ASP A 40 2.054 -5.140 -13.135 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.262 -7.608 -14.702 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.656 -6.116 -15.533 1.00 0.00 H new ATOM 692 N GLY A 41 -0.599 -4.507 -12.815 1.00 0.00 N ATOM 693 CA GLY A 41 -1.801 -3.734 -13.068 1.00 0.00 C ATOM 694 C GLY A 41 -3.038 -4.398 -12.501 1.00 0.00 C ATOM 695 O GLY A 41 -4.137 -3.853 -12.581 1.00 0.00 O ATOM 0 H GLY A 41 -0.305 -4.533 -11.839 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.691 -2.741 -12.631 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.924 -3.598 -14.142 1.00 0.00 H new ATOM 699 N ILE A 42 -2.850 -5.577 -11.928 1.00 0.00 N ATOM 700 CA ILE A 42 -3.945 -6.330 -11.326 1.00 0.00 C ATOM 701 C ILE A 42 -3.839 -6.330 -9.802 1.00 0.00 C ATOM 702 O ILE A 42 -3.159 -7.181 -9.221 1.00 0.00 O ATOM 703 CB ILE A 42 -3.992 -7.784 -11.840 1.00 0.00 C ATOM 704 CG1 ILE A 42 -4.097 -7.802 -13.365 1.00 0.00 C ATOM 705 CG2 ILE A 42 -5.164 -8.536 -11.222 1.00 0.00 C ATOM 706 CD1 ILE A 42 -5.309 -7.070 -13.909 1.00 0.00 C ATOM 0 H ILE A 42 -1.942 -6.038 -11.866 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.868 -5.831 -11.621 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.069 -8.283 -11.544 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.196 -7.355 -13.786 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.128 -8.837 -13.705 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.179 -9.559 -11.598 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.056 -8.549 -10.137 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.097 -8.038 -11.488 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.311 -7.129 -14.997 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.217 -7.530 -13.519 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.271 -6.025 -13.602 1.00 0.00 H new ATOM 718 N PRO A 43 -4.444 -5.325 -9.142 1.00 0.00 N ATOM 719 CA PRO A 43 -4.439 -5.211 -7.683 1.00 0.00 C ATOM 720 C PRO A 43 -5.390 -6.213 -7.040 1.00 0.00 C ATOM 721 O PRO A 43 -6.546 -6.332 -7.453 1.00 0.00 O ATOM 722 CB PRO A 43 -4.940 -3.779 -7.415 1.00 0.00 C ATOM 723 CG PRO A 43 -5.050 -3.123 -8.755 1.00 0.00 C ATOM 724 CD PRO A 43 -5.205 -4.230 -9.756 1.00 0.00 C ATOM 0 HA PRO A 43 -3.452 -5.412 -7.267 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.904 -3.792 -6.907 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.247 -3.237 -6.771 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.905 -2.447 -8.788 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.163 -2.526 -8.970 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.251 -4.497 -9.906 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.804 -3.954 -10.731 1.00 0.00 H new ATOM 732 N TYR A 44 -4.915 -6.924 -6.033 1.00 0.00 N ATOM 733 CA TYR A 44 -5.753 -7.875 -5.324 1.00 0.00 C ATOM 734 C TYR A 44 -6.635 -7.159 -4.315 1.00 0.00 C ATOM 735 O TYR A 44 -6.403 -7.217 -3.109 1.00 0.00 O ATOM 736 CB TYR A 44 -4.915 -8.957 -4.638 1.00 0.00 C ATOM 737 CG TYR A 44 -4.381 -9.998 -5.595 1.00 0.00 C ATOM 738 CD1 TYR A 44 -5.128 -11.126 -5.901 1.00 0.00 C ATOM 739 CD2 TYR A 44 -3.140 -9.850 -6.195 1.00 0.00 C ATOM 740 CE1 TYR A 44 -4.654 -12.080 -6.781 1.00 0.00 C ATOM 741 CE2 TYR A 44 -2.659 -10.796 -7.076 1.00 0.00 C ATOM 742 CZ TYR A 44 -3.418 -11.910 -7.366 1.00 0.00 C ATOM 743 OH TYR A 44 -2.938 -12.853 -8.246 1.00 0.00 O ATOM 0 H TYR A 44 -3.957 -6.862 -5.689 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.392 -8.367 -6.057 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.079 -8.486 -4.121 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.522 -9.450 -3.878 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.097 -11.261 -5.443 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.541 -8.980 -5.969 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.248 -12.953 -7.009 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.691 -10.665 -7.537 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.219 -12.624 -9.156 1.00 0.00 H new ATOM 753 N MET A 45 -7.641 -6.471 -4.835 1.00 0.00 N ATOM 754 CA MET A 45 -8.618 -5.747 -4.016 1.00 0.00 C ATOM 755 C MET A 45 -9.602 -6.713 -3.348 1.00 0.00 C ATOM 756 O MET A 45 -10.757 -6.366 -3.106 1.00 0.00 O ATOM 757 CB MET A 45 -9.407 -4.757 -4.884 1.00 0.00 C ATOM 758 CG MET A 45 -8.561 -3.679 -5.551 1.00 0.00 C ATOM 759 SD MET A 45 -7.909 -2.465 -4.385 1.00 0.00 S ATOM 760 CE MET A 45 -7.119 -1.318 -5.511 1.00 0.00 C ATOM 0 H MET A 45 -7.808 -6.395 -5.838 1.00 0.00 H new ATOM 0 HA MET A 45 -8.068 -5.209 -3.244 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.936 -5.314 -5.657 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.163 -4.275 -4.265 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.731 -4.151 -6.077 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.163 -3.166 -6.301 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.966 -0.362 -5.009 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.156 -1.721 -5.825 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.753 -1.171 -6.385 1.00 0.00 H new ATOM 770 N LEU A 46 -9.135 -7.912 -3.027 1.00 0.00 N ATOM 771 CA LEU A 46 -9.985 -8.941 -2.474 1.00 0.00 C ATOM 772 C LEU A 46 -9.795 -9.015 -0.969 1.00 0.00 C ATOM 773 O LEU A 46 -8.668 -9.119 -0.482 1.00 0.00 O ATOM 774 CB LEU A 46 -9.670 -10.283 -3.132 1.00 0.00 C ATOM 775 CG LEU A 46 -9.924 -10.338 -4.642 1.00 0.00 C ATOM 776 CD1 LEU A 46 -9.597 -11.719 -5.189 1.00 0.00 C ATOM 777 CD2 LEU A 46 -11.365 -9.967 -4.952 1.00 0.00 C ATOM 0 H LEU A 46 -8.161 -8.191 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.028 -8.697 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.624 -10.526 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.268 -11.057 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.270 -9.614 -5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.784 -11.739 -6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.548 -11.947 -4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.225 -12.463 -4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.528 -10.011 -6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.036 -10.667 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.565 -8.957 -4.596 1.00 0.00 H new ATOM 789 N GLU A 47 -10.906 -8.971 -0.248 1.00 0.00 N ATOM 790 CA GLU A 47 -10.903 -8.881 1.208 1.00 0.00 C ATOM 791 C GLU A 47 -10.109 -10.013 1.852 1.00 0.00 C ATOM 792 O GLU A 47 -9.243 -9.773 2.693 1.00 0.00 O ATOM 793 CB GLU A 47 -12.345 -8.904 1.721 1.00 0.00 C ATOM 794 CG GLU A 47 -13.216 -7.811 1.132 1.00 0.00 C ATOM 795 CD GLU A 47 -14.678 -7.974 1.484 1.00 0.00 C ATOM 796 OE1 GLU A 47 -15.099 -7.482 2.549 1.00 0.00 O ATOM 797 OE2 GLU A 47 -15.423 -8.589 0.687 1.00 0.00 O ATOM 0 H GLU A 47 -11.840 -8.997 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.418 -7.944 1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.788 -9.873 1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.337 -8.806 2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.867 -6.842 1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.106 -7.810 0.048 1.00 0.00 H new ATOM 804 N ASN A 48 -10.398 -11.237 1.444 1.00 0.00 N ATOM 805 CA ASN A 48 -9.777 -12.409 2.052 1.00 0.00 C ATOM 806 C ASN A 48 -8.362 -12.609 1.535 1.00 0.00 C ATOM 807 O ASN A 48 -7.490 -13.097 2.251 1.00 0.00 O ATOM 808 CB ASN A 48 -10.620 -13.661 1.778 1.00 0.00 C ATOM 809 CG ASN A 48 -10.011 -14.921 2.367 1.00 0.00 C ATOM 810 OD1 ASN A 48 -10.238 -15.249 3.533 1.00 0.00 O ATOM 811 ND2 ASN A 48 -9.241 -15.642 1.565 1.00 0.00 N ATOM 0 H ASN A 48 -11.058 -11.448 0.695 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.726 -12.243 3.128 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.619 -13.518 2.191 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.735 -13.788 0.702 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.812 -16.502 1.907 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.077 -15.337 0.606 1.00 0.00 H new ATOM 818 N GLU A 49 -8.131 -12.198 0.303 1.00 0.00 N ATOM 819 CA GLU A 49 -6.856 -12.453 -0.356 1.00 0.00 C ATOM 820 C GLU A 49 -5.790 -11.440 0.073 1.00 0.00 C ATOM 821 O GLU A 49 -4.594 -11.738 0.039 1.00 0.00 O ATOM 822 CB GLU A 49 -7.031 -12.436 -1.874 1.00 0.00 C ATOM 823 CG GLU A 49 -8.110 -13.392 -2.376 1.00 0.00 C ATOM 824 CD GLU A 49 -7.825 -14.851 -2.061 1.00 0.00 C ATOM 825 OE1 GLU A 49 -8.244 -15.329 -0.985 1.00 0.00 O ATOM 826 OE2 GLU A 49 -7.201 -15.534 -2.901 1.00 0.00 O ATOM 0 H GLU A 49 -8.806 -11.686 -0.265 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.514 -13.442 -0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.279 -11.423 -2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.082 -12.694 -2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.066 -13.113 -1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.214 -13.275 -3.455 1.00 0.00 H new ATOM 833 N ALA A 50 -6.220 -10.244 0.463 1.00 0.00 N ATOM 834 CA ALA A 50 -5.298 -9.228 0.972 1.00 0.00 C ATOM 835 C ALA A 50 -4.606 -9.700 2.254 1.00 0.00 C ATOM 836 O ALA A 50 -5.164 -10.487 3.023 1.00 0.00 O ATOM 837 CB ALA A 50 -6.046 -7.927 1.225 1.00 0.00 C ATOM 0 H ALA A 50 -7.197 -9.953 0.437 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.529 -9.058 0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.352 -7.176 1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.489 -7.575 0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.833 -8.097 1.959 1.00 0.00 H new ATOM 843 N ARG A 51 -3.386 -9.228 2.474 1.00 0.00 N ATOM 844 CA ARG A 51 -2.610 -9.598 3.645 1.00 0.00 C ATOM 845 C ARG A 51 -2.563 -8.435 4.632 1.00 0.00 C ATOM 846 O ARG A 51 -2.696 -7.284 4.236 1.00 0.00 O ATOM 847 CB ARG A 51 -1.191 -9.973 3.223 1.00 0.00 C ATOM 848 CG ARG A 51 -1.098 -11.168 2.279 1.00 0.00 C ATOM 849 CD ARG A 51 -1.535 -12.467 2.945 1.00 0.00 C ATOM 850 NE ARG A 51 -2.989 -12.650 2.945 1.00 0.00 N ATOM 851 CZ ARG A 51 -3.580 -13.846 2.973 1.00 0.00 C ATOM 852 NH1 ARG A 51 -2.843 -14.945 3.038 1.00 0.00 N ATOM 853 NH2 ARG A 51 -4.905 -13.944 2.938 1.00 0.00 N ATOM 0 H ARG A 51 -2.910 -8.580 1.847 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.082 -10.453 4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.731 -9.111 2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.606 -10.188 4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.719 -10.985 1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.072 -11.271 1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.069 -13.307 2.431 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.173 -12.482 3.973 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.580 -11.819 2.922 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.826 -14.876 3.067 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.293 -15.860 3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.478 -13.101 2.889 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.349 -14.862 2.960 1.00 0.00 H new ATOM 867 N PRO A 52 -2.384 -8.716 5.927 1.00 0.00 N ATOM 868 CA PRO A 52 -2.275 -7.684 6.955 1.00 0.00 C ATOM 869 C PRO A 52 -0.853 -7.132 7.090 1.00 0.00 C ATOM 870 O PRO A 52 0.126 -7.844 6.864 1.00 0.00 O ATOM 871 CB PRO A 52 -2.685 -8.413 8.245 1.00 0.00 C ATOM 872 CG PRO A 52 -2.873 -9.857 7.883 1.00 0.00 C ATOM 873 CD PRO A 52 -2.296 -10.053 6.508 1.00 0.00 C ATOM 0 HA PRO A 52 -2.895 -6.819 6.719 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.918 -8.303 9.012 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.605 -7.993 8.651 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.373 -10.502 8.605 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.930 -10.122 7.897 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.267 -10.410 6.548 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.864 -10.783 5.931 1.00 0.00 H new ATOM 881 N LEU A 53 -0.750 -5.860 7.450 1.00 0.00 N ATOM 882 CA LEU A 53 0.535 -5.240 7.725 1.00 0.00 C ATOM 883 C LEU A 53 0.809 -5.245 9.216 1.00 0.00 C ATOM 884 O LEU A 53 -0.096 -5.460 10.024 1.00 0.00 O ATOM 885 CB LEU A 53 0.563 -3.798 7.226 1.00 0.00 C ATOM 886 CG LEU A 53 0.808 -3.615 5.731 1.00 0.00 C ATOM 887 CD1 LEU A 53 0.809 -2.139 5.369 1.00 0.00 C ATOM 888 CD2 LEU A 53 2.122 -4.257 5.320 1.00 0.00 C ATOM 0 H LEU A 53 -1.549 -5.235 7.558 1.00 0.00 H new ATOM 0 HA LEU A 53 1.300 -5.815 7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.387 -3.328 7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.340 -3.261 7.770 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.001 -4.107 5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.985 -2.027 4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.155 -1.701 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.598 -1.629 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.277 -4.115 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.941 -3.794 5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.092 -5.323 5.544 1.00 0.00 H new ATOM 900 N SER A 54 2.050 -5.002 9.581 1.00 0.00 N ATOM 901 CA SER A 54 2.402 -4.878 10.979 1.00 0.00 C ATOM 902 C SER A 54 2.590 -3.413 11.353 1.00 0.00 C ATOM 903 O SER A 54 2.597 -2.538 10.484 1.00 0.00 O ATOM 904 CB SER A 54 3.658 -5.687 11.302 1.00 0.00 C ATOM 905 OG SER A 54 4.736 -5.336 10.451 1.00 0.00 O ATOM 0 H SER A 54 2.829 -4.887 8.932 1.00 0.00 H new ATOM 0 HA SER A 54 1.583 -5.282 11.574 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.943 -5.519 12.340 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.443 -6.751 11.199 1.00 0.00 H new ATOM 0 HG SER A 54 4.566 -5.679 9.549 1.00 0.00 H new ATOM 911 N GLU A 55 2.765 -3.165 12.641 1.00 0.00 N ATOM 912 CA GLU A 55 2.838 -1.831 13.189 1.00 0.00 C ATOM 913 C GLU A 55 4.007 -1.041 12.620 1.00 0.00 C ATOM 914 O GLU A 55 3.830 0.088 12.181 1.00 0.00 O ATOM 915 CB GLU A 55 2.954 -1.944 14.699 1.00 0.00 C ATOM 916 CG GLU A 55 1.643 -2.304 15.381 1.00 0.00 C ATOM 917 CD GLU A 55 1.791 -2.512 16.873 1.00 0.00 C ATOM 918 OE1 GLU A 55 2.139 -3.638 17.289 1.00 0.00 O ATOM 919 OE2 GLU A 55 1.554 -1.556 17.637 1.00 0.00 O ATOM 0 H GLU A 55 2.861 -3.900 13.341 1.00 0.00 H new ATOM 0 HA GLU A 55 1.935 -1.286 12.915 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.701 -2.699 14.943 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.315 -0.997 15.100 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.916 -1.512 15.200 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.243 -3.213 14.931 1.00 0.00 H new ATOM 926 N GLU A 56 5.196 -1.630 12.644 1.00 0.00 N ATOM 927 CA GLU A 56 6.377 -1.017 12.076 1.00 0.00 C ATOM 928 C GLU A 56 6.131 -0.566 10.640 1.00 0.00 C ATOM 929 O GLU A 56 6.502 0.544 10.252 1.00 0.00 O ATOM 930 CB GLU A 56 7.510 -2.021 12.118 1.00 0.00 C ATOM 931 CG GLU A 56 7.929 -2.440 13.518 1.00 0.00 C ATOM 932 CD GLU A 56 8.517 -1.302 14.323 1.00 0.00 C ATOM 933 OE1 GLU A 56 9.706 -0.977 14.128 1.00 0.00 O ATOM 934 OE2 GLU A 56 7.799 -0.740 15.177 1.00 0.00 O ATOM 0 H GLU A 56 5.363 -2.547 13.059 1.00 0.00 H new ATOM 0 HA GLU A 56 6.634 -0.132 12.659 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.213 -2.909 11.560 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.374 -1.597 11.605 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.064 -2.842 14.045 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.661 -3.244 13.447 1.00 0.00 H new ATOM 941 N GLU A 57 5.492 -1.430 9.866 1.00 0.00 N ATOM 942 CA GLU A 57 5.160 -1.133 8.487 1.00 0.00 C ATOM 943 C GLU A 57 4.165 0.016 8.409 1.00 0.00 C ATOM 944 O GLU A 57 4.395 1.006 7.720 1.00 0.00 O ATOM 945 CB GLU A 57 4.591 -2.387 7.841 1.00 0.00 C ATOM 946 CG GLU A 57 5.578 -3.541 7.836 1.00 0.00 C ATOM 947 CD GLU A 57 5.007 -4.802 7.231 1.00 0.00 C ATOM 948 OE1 GLU A 57 4.154 -5.444 7.883 1.00 0.00 O ATOM 949 OE2 GLU A 57 5.424 -5.171 6.118 1.00 0.00 O ATOM 0 H GLU A 57 5.191 -2.353 10.178 1.00 0.00 H new ATOM 0 HA GLU A 57 6.058 -0.824 7.952 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.689 -2.688 8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.296 -2.161 6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.468 -3.248 7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.894 -3.746 8.859 1.00 0.00 H new ATOM 956 N LEU A 58 3.063 -0.137 9.126 1.00 0.00 N ATOM 957 CA LEU A 58 2.058 0.917 9.269 1.00 0.00 C ATOM 958 C LEU A 58 2.675 2.262 9.661 1.00 0.00 C ATOM 959 O LEU A 58 2.331 3.303 9.100 1.00 0.00 O ATOM 960 CB LEU A 58 1.039 0.501 10.324 1.00 0.00 C ATOM 961 CG LEU A 58 0.218 -0.730 9.969 1.00 0.00 C ATOM 962 CD1 LEU A 58 -0.758 -1.060 11.085 1.00 0.00 C ATOM 963 CD2 LEU A 58 -0.522 -0.520 8.658 1.00 0.00 C ATOM 0 H LEU A 58 2.835 -0.995 9.628 1.00 0.00 H new ATOM 0 HA LEU A 58 1.577 1.048 8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.563 0.313 11.261 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.360 1.335 10.501 1.00 0.00 H new ATOM 0 HG LEU A 58 0.899 -1.572 9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.336 -1.943 10.813 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.206 -1.256 12.004 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.433 -0.218 11.239 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.103 -1.411 8.421 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.191 0.335 8.751 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.197 -0.333 7.860 1.00 0.00 H new ATOM 975 N LYS A 59 3.576 2.233 10.632 1.00 0.00 N ATOM 976 CA LYS A 59 4.220 3.426 11.130 1.00 0.00 C ATOM 977 C LYS A 59 5.115 4.073 10.081 1.00 0.00 C ATOM 978 O LYS A 59 5.351 5.284 10.107 1.00 0.00 O ATOM 979 CB LYS A 59 5.028 3.062 12.367 1.00 0.00 C ATOM 980 CG LYS A 59 4.196 2.911 13.631 1.00 0.00 C ATOM 981 CD LYS A 59 3.522 4.217 14.013 1.00 0.00 C ATOM 982 CE LYS A 59 2.710 4.074 15.290 1.00 0.00 C ATOM 983 NZ LYS A 59 2.120 5.367 15.726 1.00 0.00 N ATOM 0 H LYS A 59 3.878 1.375 11.094 1.00 0.00 H new ATOM 0 HA LYS A 59 3.452 4.157 11.382 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.557 2.128 12.180 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.784 3.829 12.532 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.440 2.141 13.480 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.833 2.576 14.449 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.277 4.992 14.146 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.871 4.542 13.202 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.913 3.347 15.133 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.347 3.682 16.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.575 5.223 16.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.881 6.054 15.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.491 5.730 14.982 1.00 0.00 H new ATOM 997 N ALA A 60 5.592 3.272 9.145 1.00 0.00 N ATOM 998 CA ALA A 60 6.443 3.771 8.069 1.00 0.00 C ATOM 999 C ALA A 60 5.609 4.316 6.920 1.00 0.00 C ATOM 1000 O ALA A 60 6.113 4.562 5.822 1.00 0.00 O ATOM 1001 CB ALA A 60 7.380 2.678 7.579 1.00 0.00 C ATOM 0 H ALA A 60 5.406 2.270 9.105 1.00 0.00 H new ATOM 0 HA ALA A 60 7.044 4.589 8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.007 3.068 6.777 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.011 2.344 8.402 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.795 1.837 7.206 1.00 0.00 H new ATOM 1007 N LEU A 61 4.339 4.525 7.197 1.00 0.00 N ATOM 1008 CA LEU A 61 3.408 5.063 6.215 1.00 0.00 C ATOM 1009 C LEU A 61 2.685 6.275 6.782 1.00 0.00 C ATOM 1010 O LEU A 61 1.630 6.679 6.295 1.00 0.00 O ATOM 1011 CB LEU A 61 2.395 3.996 5.800 1.00 0.00 C ATOM 1012 CG LEU A 61 2.983 2.767 5.104 1.00 0.00 C ATOM 1013 CD1 LEU A 61 1.909 1.714 4.891 1.00 0.00 C ATOM 1014 CD2 LEU A 61 3.616 3.156 3.778 1.00 0.00 C ATOM 0 H LEU A 61 3.919 4.329 8.106 1.00 0.00 H new ATOM 0 HA LEU A 61 3.974 5.370 5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.856 3.666 6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.663 4.454 5.135 1.00 0.00 H new ATOM 0 HG LEU A 61 3.758 2.347 5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.344 0.846 4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.498 1.413 5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.113 2.126 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.029 2.269 3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.860 3.601 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.414 3.878 3.953 1.00 0.00 H new ATOM 1026 N GLU A 62 3.280 6.857 7.802 1.00 0.00 N ATOM 1027 CA GLU A 62 2.711 8.019 8.464 1.00 0.00 C ATOM 1028 C GLU A 62 3.698 9.179 8.430 1.00 0.00 C ATOM 1029 O GLU A 62 3.433 10.222 7.832 1.00 0.00 O ATOM 1030 CB GLU A 62 2.350 7.680 9.913 1.00 0.00 C ATOM 1031 CG GLU A 62 1.739 8.842 10.683 1.00 0.00 C ATOM 1032 CD GLU A 62 0.351 9.206 10.199 1.00 0.00 C ATOM 1033 OE1 GLU A 62 0.226 9.811 9.119 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -0.626 8.881 10.902 1.00 0.00 O ATOM 0 H GLU A 62 4.167 6.543 8.196 1.00 0.00 H new ATOM 0 HA GLU A 62 1.804 8.312 7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.649 6.845 9.917 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.248 7.345 10.432 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.693 8.586 11.741 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.389 9.712 10.593 1.00 0.00 H new ATOM 1041 N HIS A 63 4.842 8.986 9.067 1.00 0.00 N ATOM 1042 CA HIS A 63 5.870 10.016 9.128 1.00 0.00 C ATOM 1043 C HIS A 63 7.152 9.514 8.485 1.00 0.00 C ATOM 1044 O HIS A 63 7.179 8.428 7.902 1.00 0.00 O ATOM 1045 CB HIS A 63 6.151 10.423 10.582 1.00 0.00 C ATOM 1046 CG HIS A 63 4.988 11.061 11.277 1.00 0.00 C ATOM 1047 ND1 HIS A 63 4.354 10.492 12.360 1.00 0.00 N ATOM 1048 CD2 HIS A 63 4.362 12.238 11.054 1.00 0.00 C ATOM 1049 CE1 HIS A 63 3.388 11.291 12.772 1.00 0.00 C ATOM 1050 NE2 HIS A 63 3.372 12.356 11.995 1.00 0.00 N ATOM 0 H HIS A 63 5.084 8.122 9.552 1.00 0.00 H new ATOM 0 HA HIS A 63 5.508 10.888 8.584 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.454 9.539 11.143 1.00 0.00 H new ATOM 0 HB3 HIS A 63 6.993 11.115 10.597 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.598 12.952 10.279 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.724 11.104 13.603 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.727 13.141 12.080 1.00 0.00 H new ATOM 1059 N HIS A 64 8.205 10.313 8.584 1.00 0.00 N ATOM 1060 CA HIS A 64 9.527 9.906 8.126 1.00 0.00 C ATOM 1061 C HIS A 64 10.037 8.780 9.023 1.00 0.00 C ATOM 1062 O HIS A 64 10.592 9.036 10.091 1.00 0.00 O ATOM 1063 CB HIS A 64 10.480 11.116 8.171 1.00 0.00 C ATOM 1064 CG HIS A 64 11.831 10.896 7.554 1.00 0.00 C ATOM 1065 ND1 HIS A 64 12.232 11.511 6.388 1.00 0.00 N ATOM 1066 CD2 HIS A 64 12.895 10.171 7.974 1.00 0.00 C ATOM 1067 CE1 HIS A 64 13.476 11.174 6.119 1.00 0.00 C ATOM 1068 NE2 HIS A 64 13.904 10.362 7.064 1.00 0.00 N ATOM 0 H HIS A 64 8.169 11.252 8.980 1.00 0.00 H new ATOM 0 HA HIS A 64 9.477 9.545 7.099 1.00 0.00 H new ATOM 0 HB2 HIS A 64 10.000 11.954 7.665 1.00 0.00 H new ATOM 0 HB3 HIS A 64 10.618 11.409 9.212 1.00 0.00 H new ATOM 0 HD2 HIS A 64 12.941 9.556 8.861 1.00 0.00 H new ATOM 0 HE1 HIS A 64 14.049 11.507 5.267 1.00 0.00 H new ATOM 0 HE2 HIS A 64 14.833 9.944 7.111 1.00 0.00 H new ATOM 1077 N HIS A 65 9.803 7.536 8.614 1.00 0.00 N ATOM 1078 CA HIS A 65 10.181 6.390 9.433 1.00 0.00 C ATOM 1079 C HIS A 65 10.964 5.368 8.616 1.00 0.00 C ATOM 1080 O HIS A 65 11.235 4.265 9.088 1.00 0.00 O ATOM 1081 CB HIS A 65 8.937 5.733 10.046 1.00 0.00 C ATOM 1082 CG HIS A 65 9.231 4.885 11.250 1.00 0.00 C ATOM 1083 ND1 HIS A 65 9.370 3.511 11.206 1.00 0.00 N ATOM 1084 CD2 HIS A 65 9.411 5.235 12.544 1.00 0.00 C ATOM 1085 CE1 HIS A 65 9.620 3.059 12.421 1.00 0.00 C ATOM 1086 NE2 HIS A 65 9.651 4.084 13.249 1.00 0.00 N ATOM 0 H HIS A 65 9.357 7.298 7.728 1.00 0.00 H new ATOM 0 HA HIS A 65 10.822 6.750 10.237 1.00 0.00 H new ATOM 0 HB2 HIS A 65 8.227 6.511 10.326 1.00 0.00 H new ATOM 0 HB3 HIS A 65 8.452 5.117 9.289 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.373 6.236 12.947 1.00 0.00 H new ATOM 0 HE1 HIS A 65 9.773 2.025 12.691 1.00 0.00 H new ATOM 0 HE2 HIS A 65 9.825 4.030 14.253 1.00 0.00 H new ATOM 1095 N HIS A 66 11.322 5.726 7.388 1.00 0.00 N ATOM 1096 CA HIS A 66 12.182 4.864 6.579 1.00 0.00 C ATOM 1097 C HIS A 66 13.627 4.969 7.064 1.00 0.00 C ATOM 1098 O HIS A 66 14.495 5.538 6.402 1.00 0.00 O ATOM 1099 CB HIS A 66 12.062 5.156 5.070 1.00 0.00 C ATOM 1100 CG HIS A 66 12.137 6.606 4.680 1.00 0.00 C ATOM 1101 ND1 HIS A 66 13.232 7.167 4.064 1.00 0.00 N ATOM 1102 CD2 HIS A 66 11.221 7.596 4.779 1.00 0.00 C ATOM 1103 CE1 HIS A 66 12.984 8.437 3.801 1.00 0.00 C ATOM 1104 NE2 HIS A 66 11.768 8.724 4.225 1.00 0.00 N ATOM 0 H HIS A 66 11.036 6.594 6.934 1.00 0.00 H new ATOM 0 HA HIS A 66 11.843 3.836 6.710 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.854 4.617 4.550 1.00 0.00 H new ATOM 0 HB3 HIS A 66 11.114 4.751 4.714 1.00 0.00 H new ATOM 0 HD2 HIS A 66 10.237 7.513 5.216 1.00 0.00 H new ATOM 0 HE1 HIS A 66 13.663 9.125 3.320 1.00 0.00 H new ATOM 0 HE2 HIS A 66 11.311 9.633 4.153 1.00 0.00 H new ATOM 1113 N HIS A 67 13.839 4.430 8.258 1.00 0.00 N ATOM 1114 CA HIS A 67 15.112 4.472 8.964 1.00 0.00 C ATOM 1115 C HIS A 67 14.950 3.705 10.273 1.00 0.00 C ATOM 1116 O HIS A 67 13.968 3.913 10.984 1.00 0.00 O ATOM 1117 CB HIS A 67 15.526 5.929 9.247 1.00 0.00 C ATOM 1118 CG HIS A 67 16.728 6.069 10.135 1.00 0.00 C ATOM 1119 ND1 HIS A 67 18.021 5.976 9.675 1.00 0.00 N ATOM 1120 CD2 HIS A 67 16.822 6.289 11.469 1.00 0.00 C ATOM 1121 CE1 HIS A 67 18.858 6.129 10.685 1.00 0.00 C ATOM 1122 NE2 HIS A 67 18.157 6.321 11.786 1.00 0.00 N ATOM 0 H HIS A 67 13.110 3.939 8.775 1.00 0.00 H new ATOM 0 HA HIS A 67 15.892 4.018 8.353 1.00 0.00 H new ATOM 0 HB2 HIS A 67 15.729 6.427 8.299 1.00 0.00 H new ATOM 0 HB3 HIS A 67 14.686 6.450 9.707 1.00 0.00 H new ATOM 0 HD2 HIS A 67 15.998 6.416 12.156 1.00 0.00 H new ATOM 0 HE1 HIS A 67 19.936 6.102 10.620 1.00 0.00 H new ATOM 0 HE2 HIS A 67 18.543 6.469 12.718 1.00 0.00 H new ATOM 1131 N HIS A 68 15.878 2.811 10.584 1.00 0.00 N ATOM 1132 CA HIS A 68 15.780 2.053 11.827 1.00 0.00 C ATOM 1133 C HIS A 68 16.786 2.568 12.858 1.00 0.00 C ATOM 1134 O HIS A 68 16.636 3.727 13.285 1.00 0.00 O ATOM 1135 CB HIS A 68 15.937 0.538 11.584 1.00 0.00 C ATOM 1136 CG HIS A 68 17.175 0.118 10.841 1.00 0.00 C ATOM 1137 ND1 HIS A 68 18.446 0.313 11.323 1.00 0.00 N ATOM 1138 CD2 HIS A 68 17.321 -0.533 9.666 1.00 0.00 C ATOM 1139 CE1 HIS A 68 19.320 -0.198 10.484 1.00 0.00 C ATOM 1140 NE2 HIS A 68 18.665 -0.723 9.465 1.00 0.00 N ATOM 1141 OXT HIS A 68 17.705 1.820 13.248 1.00 0.00 O ATOM 0 H HIS A 68 16.691 2.594 10.008 1.00 0.00 H new ATOM 0 HA HIS A 68 14.780 2.206 12.233 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.926 0.032 12.549 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.067 0.186 11.030 1.00 0.00 H new ATOM 0 HD1 HIS A 68 18.677 0.783 12.198 1.00 0.00 H new ATOM 0 HD2 HIS A 68 16.526 -0.846 9.006 1.00 0.00 H new ATOM 0 HE1 HIS A 68 20.393 -0.190 10.608 1.00 0.00 H new TER 1150 HIS A 68