USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 597 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 109 LYS NZ :NH3+ 150:sc= 2.19 (180deg=-0.0171) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.72 K(o=4.9,f=-14!) USER MOD Set 2.1: A 77 SER OG : rot 31:sc= 0.0481 USER MOD Set 2.2: A 115 ASN : amide:sc= 0.442 X(o=0.49,f=0.49) USER MOD Set 3.1: A 64 ASN : amide:sc= -0.282 K(o=-0.24,f=-4.2!) USER MOD Set 3.2: A 65 LYS NZ :NH3+ 146:sc= 0.0406 (180deg=-0.0943) USER MOD Set 4.1: A 55 SER OG : rot 174:sc=-0.00729 USER MOD Set 4.2: A 57 THR OG1 : rot -42:sc= 0.0424 USER MOD Single : A 56 ASN : amide:sc= 0.635 K(o=0.64,f=-0.53) USER MOD Single : A 66 GLN : amide:sc= -0.351 K(o=-0.35,f=-5.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0722 USER MOD Single : A 71 ASN : amide:sc= -0.378 K(o=-0.38,f=-1.1) USER MOD Single : A 79 HIS : no HD1:sc= -8.31! K(o=-8.3!,f=-6.3) USER MOD Single : A 81 CYS SG : rot 140:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 172:sc= 1.34 (180deg=1.16) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 113:sc= 0.247 USER MOD Single : A 103 HIS : no HD1:sc= -0.437 K(o=2,f=-12!) USER MOD Single : A 105 HIS : no HE2:sc= -6.5! C(o=-6.5!,f=-6.1!) USER MOD Single : A 106 LYS NZ :NH3+ -139:sc= -0.095 (180deg=-0.324) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -150:sc= 0.539 USER MOD Single : A 120 SER OG : rot -91:sc= 1.36 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.729 8.076 2.485 1.00 0.00 N ATOM 2 CA SER A 55 -12.554 7.385 1.206 1.00 0.00 C ATOM 3 C SER A 55 -12.747 5.912 1.379 1.00 0.00 C ATOM 4 O SER A 55 -13.063 5.433 2.466 1.00 0.00 O ATOM 5 CB SER A 55 -11.136 7.625 0.654 1.00 0.00 C ATOM 6 OG SER A 55 -11.090 7.316 -0.734 1.00 0.00 O ATOM 0 HA SER A 55 -13.295 7.779 0.510 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.847 8.664 0.812 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.418 7.009 1.195 1.00 0.00 H new ATOM 0 HG SER A 55 -10.213 7.563 -1.095 1.00 0.00 H new ATOM 14 N ASN A 56 -12.567 5.165 0.277 1.00 0.00 N ATOM 15 CA ASN A 56 -12.586 3.734 0.336 1.00 0.00 C ATOM 16 C ASN A 56 -11.584 3.259 -0.672 1.00 0.00 C ATOM 17 O ASN A 56 -11.602 2.111 -1.118 1.00 0.00 O ATOM 18 CB ASN A 56 -13.980 3.162 0.041 1.00 0.00 C ATOM 19 CG ASN A 56 -14.003 1.695 0.456 1.00 0.00 C ATOM 20 OD1 ASN A 56 -13.736 1.356 1.609 1.00 0.00 O ATOM 21 ND2 ASN A 56 -14.329 0.797 -0.509 1.00 0.00 N ATOM 0 H ASN A 56 -12.408 5.549 -0.655 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.336 3.391 1.340 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.741 3.721 0.586 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.212 3.259 -1.020 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.359 -0.199 -0.290 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.544 1.118 -1.453 1.00 0.00 H new ATOM 28 N THR A 57 -10.638 4.153 -1.022 1.00 0.00 N ATOM 29 CA THR A 57 -9.662 3.837 -2.021 1.00 0.00 C ATOM 30 C THR A 57 -8.357 4.406 -1.556 1.00 0.00 C ATOM 31 O THR A 57 -8.325 5.378 -0.798 1.00 0.00 O ATOM 32 CB THR A 57 -10.003 4.427 -3.401 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.889 5.845 -3.381 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.455 4.188 -3.823 1.00 0.00 C ATOM 0 H THR A 57 -10.549 5.085 -0.618 1.00 0.00 H new ATOM 0 HA THR A 57 -9.627 2.754 -2.144 1.00 0.00 H new ATOM 0 HB THR A 57 -9.309 3.936 -4.083 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.277 6.193 -2.551 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.626 4.630 -4.805 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.649 3.116 -3.869 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.125 4.647 -3.097 1.00 0.00 H new ATOM 42 N ILE A 58 -7.244 3.768 -1.967 1.00 0.00 N ATOM 43 CA ILE A 58 -5.945 4.317 -1.708 1.00 0.00 C ATOM 44 C ILE A 58 -5.111 4.003 -2.906 1.00 0.00 C ATOM 45 O ILE A 58 -5.507 3.198 -3.752 1.00 0.00 O ATOM 46 CB ILE A 58 -5.233 3.764 -0.456 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.163 3.019 0.510 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.416 4.827 0.304 1.00 0.00 C ATOM 49 CD1 ILE A 58 -6.390 1.552 0.132 1.00 0.00 C ATOM 0 H ILE A 58 -7.241 2.882 -2.473 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.073 5.382 -1.516 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.534 3.032 -0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.743 3.066 1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.125 3.530 0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.942 4.369 1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.649 5.236 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.078 5.629 0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.057 1.088 0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.839 1.497 -0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.436 1.025 0.128 1.00 0.00 H new ATOM 61 N ARG A 59 -3.932 4.643 -3.027 1.00 0.00 N ATOM 62 CA ARG A 59 -3.125 4.422 -4.185 1.00 0.00 C ATOM 63 C ARG A 59 -1.981 3.571 -3.763 1.00 0.00 C ATOM 64 O ARG A 59 -1.666 3.500 -2.585 1.00 0.00 O ATOM 65 CB ARG A 59 -2.565 5.729 -4.727 1.00 0.00 C ATOM 66 CG ARG A 59 -3.580 6.531 -5.540 1.00 0.00 C ATOM 67 CD ARG A 59 -4.573 7.337 -4.689 1.00 0.00 C ATOM 68 NE ARG A 59 -3.942 8.654 -4.373 1.00 0.00 N ATOM 69 CZ ARG A 59 -4.538 9.514 -3.501 1.00 0.00 C ATOM 70 NH1 ARG A 59 -5.635 9.146 -2.809 1.00 0.00 N ATOM 71 NH2 ARG A 59 -3.996 10.731 -3.268 1.00 0.00 N ATOM 0 H ARG A 59 -3.547 5.295 -2.344 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.729 3.956 -4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.214 6.339 -3.894 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.698 5.513 -5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.043 7.215 -6.197 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.138 5.847 -6.179 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.509 7.482 -5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.814 6.799 -3.772 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.059 8.911 -4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.029 8.214 -2.935 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.071 9.800 -2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.138 11.007 -3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.445 11.373 -2.614 1.00 0.00 H new ATOM 85 N VAL A 60 -1.317 2.934 -4.745 1.00 0.00 N ATOM 86 CA VAL A 60 -0.198 2.090 -4.437 1.00 0.00 C ATOM 87 C VAL A 60 0.837 2.327 -5.489 1.00 0.00 C ATOM 88 O VAL A 60 0.631 2.010 -6.656 1.00 0.00 O ATOM 89 CB VAL A 60 -0.524 0.592 -4.393 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.560 -0.245 -3.699 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.882 0.286 -3.746 1.00 0.00 C ATOM 0 H VAL A 60 -1.547 2.999 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 60 0.140 2.349 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.566 0.303 -5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.267 -1.295 -3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.504 -0.130 -4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.679 0.095 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.051 -0.791 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.887 0.653 -2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.674 0.778 -4.311 1.00 0.00 H new ATOM 101 N PHE A 61 2.003 2.846 -5.062 1.00 0.00 N ATOM 102 CA PHE A 61 3.036 3.222 -5.985 1.00 0.00 C ATOM 103 C PHE A 61 4.077 2.147 -5.935 1.00 0.00 C ATOM 104 O PHE A 61 4.322 1.552 -4.884 1.00 0.00 O ATOM 105 CB PHE A 61 3.703 4.543 -5.574 1.00 0.00 C ATOM 106 CG PHE A 61 2.843 5.668 -6.046 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.550 5.839 -5.566 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.369 6.668 -6.871 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.833 6.988 -5.846 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.672 7.840 -7.102 1.00 0.00 C ATOM 111 CZ PHE A 61 1.408 8.007 -6.571 1.00 0.00 C ATOM 0 H PHE A 61 2.233 3.006 -4.081 1.00 0.00 H new ATOM 0 HA PHE A 61 2.605 3.348 -6.978 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.825 4.586 -4.492 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.699 4.617 -6.010 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.098 5.063 -4.965 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.334 6.523 -7.334 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.183 7.086 -5.494 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.116 8.624 -7.697 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.873 8.933 -6.724 1.00 0.00 H new ATOM 121 N LEU A 62 4.758 1.876 -7.074 1.00 0.00 N ATOM 122 CA LEU A 62 5.676 0.770 -7.084 1.00 0.00 C ATOM 123 C LEU A 62 7.027 1.281 -6.661 1.00 0.00 C ATOM 124 O LEU A 62 7.256 2.489 -6.563 1.00 0.00 O ATOM 125 CB LEU A 62 5.806 0.076 -8.445 1.00 0.00 C ATOM 126 CG LEU A 62 4.654 -0.885 -8.759 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.883 -2.302 -8.223 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.282 -0.405 -8.247 1.00 0.00 C ATOM 0 H LEU A 62 4.679 2.396 -7.948 1.00 0.00 H new ATOM 0 HA LEU A 62 5.283 0.019 -6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.858 0.834 -9.226 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.746 -0.476 -8.473 1.00 0.00 H new ATOM 0 HG LEU A 62 4.641 -0.902 -9.849 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.030 -2.930 -8.480 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.787 -2.718 -8.668 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.995 -2.267 -7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.519 -1.139 -8.508 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.318 -0.289 -7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.037 0.552 -8.707 1.00 0.00 H new ATOM 140 N PRO A 63 7.917 0.306 -6.487 1.00 0.00 N ATOM 141 CA PRO A 63 9.228 0.813 -6.139 1.00 0.00 C ATOM 142 C PRO A 63 9.874 1.126 -7.462 1.00 0.00 C ATOM 143 O PRO A 63 10.788 0.439 -7.919 1.00 0.00 O ATOM 144 CB PRO A 63 9.933 -0.361 -5.494 1.00 0.00 C ATOM 145 CG PRO A 63 8.838 -1.296 -4.992 1.00 0.00 C ATOM 146 CD PRO A 63 7.542 -0.818 -5.646 1.00 0.00 C ATOM 0 HA PRO A 63 9.238 1.683 -5.482 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.579 -0.868 -6.211 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.568 -0.029 -4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.053 -2.330 -5.263 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.763 -1.260 -3.905 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.085 -1.613 -6.236 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.812 -0.518 -4.894 1.00 0.00 H new ATOM 154 N ASN A 64 9.436 2.230 -8.089 1.00 0.00 N ATOM 155 CA ASN A 64 10.020 2.670 -9.318 1.00 0.00 C ATOM 156 C ASN A 64 9.369 3.981 -9.646 1.00 0.00 C ATOM 157 O ASN A 64 9.731 5.012 -9.085 1.00 0.00 O ATOM 158 CB ASN A 64 9.878 1.661 -10.482 1.00 0.00 C ATOM 159 CG ASN A 64 11.081 1.814 -11.406 1.00 0.00 C ATOM 160 OD1 ASN A 64 11.124 2.706 -12.253 1.00 0.00 O ATOM 161 ND2 ASN A 64 12.087 0.913 -11.247 1.00 0.00 N ATOM 0 H ASN A 64 8.677 2.819 -7.746 1.00 0.00 H new ATOM 0 HA ASN A 64 11.098 2.769 -9.189 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.824 0.643 -10.096 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.954 1.843 -11.030 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.914 0.962 -11.841 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.014 0.188 -10.533 1.00 0.00 H new ATOM 168 N LYS A 65 8.307 3.954 -10.475 1.00 0.00 N ATOM 169 CA LYS A 65 7.577 5.157 -10.747 1.00 0.00 C ATOM 170 C LYS A 65 6.119 4.805 -10.787 1.00 0.00 C ATOM 171 O LYS A 65 5.275 5.664 -11.037 1.00 0.00 O ATOM 172 CB LYS A 65 7.922 5.794 -12.107 1.00 0.00 C ATOM 173 CG LYS A 65 9.395 5.645 -12.508 1.00 0.00 C ATOM 174 CD LYS A 65 10.341 6.567 -11.732 1.00 0.00 C ATOM 175 CE LYS A 65 11.732 5.967 -11.502 1.00 0.00 C ATOM 176 NZ LYS A 65 12.345 5.615 -12.780 1.00 0.00 N ATOM 0 H LYS A 65 7.959 3.120 -10.948 1.00 0.00 H new ATOM 0 HA LYS A 65 7.836 5.873 -9.967 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.298 5.341 -12.878 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.670 6.854 -12.075 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.702 4.611 -12.353 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.495 5.851 -13.574 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.445 7.507 -12.275 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.893 6.804 -10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.362 6.682 -10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.655 5.082 -10.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.373 5.765 -12.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.152 4.616 -12.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.948 6.213 -13.532 1.00 0.00 H new ATOM 190 N GLN A 66 5.774 3.522 -10.537 1.00 0.00 N ATOM 191 CA GLN A 66 4.466 3.062 -10.890 1.00 0.00 C ATOM 192 C GLN A 66 3.508 3.392 -9.807 1.00 0.00 C ATOM 193 O GLN A 66 3.896 3.826 -8.729 1.00 0.00 O ATOM 194 CB GLN A 66 4.385 1.598 -11.287 1.00 0.00 C ATOM 195 CG GLN A 66 5.001 1.314 -12.658 1.00 0.00 C ATOM 196 CD GLN A 66 6.503 1.152 -12.485 1.00 0.00 C ATOM 197 OE1 GLN A 66 7.263 2.117 -12.581 1.00 0.00 O ATOM 198 NE2 GLN A 66 6.941 -0.085 -12.156 1.00 0.00 N ATOM 0 H GLN A 66 6.381 2.826 -10.104 1.00 0.00 H new ATOM 0 HA GLN A 66 4.193 3.596 -11.800 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.893 0.995 -10.535 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.341 1.286 -11.293 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.569 0.410 -13.088 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.784 2.130 -13.347 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.280 -0.858 -12.087 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.933 -0.244 -11.977 1.00 0.00 H new ATOM 207 N ARG A 67 2.212 3.261 -10.149 1.00 0.00 N ATOM 208 CA ARG A 67 1.167 3.647 -9.258 1.00 0.00 C ATOM 209 C ARG A 67 -0.079 2.963 -9.717 1.00 0.00 C ATOM 210 O ARG A 67 -0.127 2.402 -10.813 1.00 0.00 O ATOM 211 CB ARG A 67 0.917 5.157 -9.234 1.00 0.00 C ATOM 212 CG ARG A 67 0.840 5.795 -10.625 1.00 0.00 C ATOM 213 CD ARG A 67 2.114 6.547 -11.014 1.00 0.00 C ATOM 214 NE ARG A 67 1.884 7.155 -12.358 1.00 0.00 N ATOM 215 CZ ARG A 67 2.919 7.694 -13.059 1.00 0.00 C ATOM 216 NH1 ARG A 67 4.195 7.520 -12.658 1.00 0.00 N ATOM 217 NH2 ARG A 67 2.686 8.314 -14.237 1.00 0.00 N ATOM 0 H ARG A 67 1.891 2.888 -11.042 1.00 0.00 H new ATOM 0 HA ARG A 67 1.459 3.362 -8.247 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.015 5.353 -8.703 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.714 5.639 -8.668 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.645 5.018 -11.364 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.004 6.484 -10.656 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.344 7.318 -10.279 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.967 5.868 -11.041 1.00 0.00 H new ATOM 0 HE ARG A 67 0.944 7.167 -12.754 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.396 6.978 -11.818 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.959 7.931 -13.195 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.735 8.378 -14.600 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.461 8.718 -14.763 1.00 0.00 H new ATOM 231 N THR A 68 -1.108 2.977 -8.852 1.00 0.00 N ATOM 232 CA THR A 68 -2.373 2.398 -9.192 1.00 0.00 C ATOM 233 C THR A 68 -3.305 2.747 -8.078 1.00 0.00 C ATOM 234 O THR A 68 -2.872 3.264 -7.050 1.00 0.00 O ATOM 235 CB THR A 68 -2.345 0.869 -9.376 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.572 0.415 -9.932 1.00 0.00 O ATOM 237 CG2 THR A 68 -2.021 0.083 -8.099 1.00 0.00 C ATOM 0 H THR A 68 -1.066 3.388 -7.919 1.00 0.00 H new ATOM 0 HA THR A 68 -2.684 2.795 -10.158 1.00 0.00 H new ATOM 0 HB THR A 68 -1.523 0.672 -10.064 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.540 -0.558 -10.045 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.022 -0.985 -8.319 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.038 0.377 -7.731 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.772 0.298 -7.339 1.00 0.00 H new ATOM 245 N VAL A 69 -4.611 2.490 -8.272 1.00 0.00 N ATOM 246 CA VAL A 69 -5.559 2.741 -7.228 1.00 0.00 C ATOM 247 C VAL A 69 -6.187 1.435 -6.880 1.00 0.00 C ATOM 248 O VAL A 69 -6.406 0.584 -7.742 1.00 0.00 O ATOM 249 CB VAL A 69 -6.649 3.756 -7.596 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.256 3.532 -8.986 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.741 3.925 -6.521 1.00 0.00 C ATOM 0 H VAL A 69 -5.007 2.115 -9.134 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.023 3.186 -6.390 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.114 4.705 -7.638 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.019 4.287 -9.176 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.474 3.608 -9.741 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.708 2.541 -9.030 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.473 4.659 -6.858 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.237 2.969 -6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.286 4.266 -5.591 1.00 0.00 H new ATOM 261 N VAL A 70 -6.485 1.259 -5.584 1.00 0.00 N ATOM 262 CA VAL A 70 -7.066 0.034 -5.125 1.00 0.00 C ATOM 263 C VAL A 70 -8.263 0.392 -4.306 1.00 0.00 C ATOM 264 O VAL A 70 -8.375 1.511 -3.803 1.00 0.00 O ATOM 265 CB VAL A 70 -6.104 -0.806 -4.273 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.919 -1.355 -5.071 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.550 -0.059 -3.049 1.00 0.00 C ATOM 0 H VAL A 70 -6.327 1.956 -4.857 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.322 -0.574 -5.993 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.726 -1.632 -3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.276 -1.940 -4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.286 -1.990 -5.877 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.349 -0.527 -5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.878 -0.715 -2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.004 0.825 -3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.375 0.244 -2.404 1.00 0.00 H new ATOM 277 N ASN A 71 -9.187 -0.574 -4.151 1.00 0.00 N ATOM 278 CA ASN A 71 -10.368 -0.343 -3.372 1.00 0.00 C ATOM 279 C ASN A 71 -10.283 -1.251 -2.188 1.00 0.00 C ATOM 280 O ASN A 71 -9.712 -2.337 -2.271 1.00 0.00 O ATOM 281 CB ASN A 71 -11.662 -0.689 -4.129 1.00 0.00 C ATOM 282 CG ASN A 71 -11.908 0.387 -5.180 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.696 1.308 -4.972 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.249 0.250 -6.362 1.00 0.00 N ATOM 0 H ASN A 71 -9.120 -1.506 -4.560 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.410 0.715 -3.113 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.575 -1.667 -4.601 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.503 -0.743 -3.438 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.401 0.924 -7.112 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.603 -0.527 -6.498 1.00 0.00 H new ATOM 291 N VAL A 72 -10.866 -0.819 -1.054 1.00 0.00 N ATOM 292 CA VAL A 72 -10.803 -1.609 0.139 1.00 0.00 C ATOM 293 C VAL A 72 -12.167 -2.188 0.364 1.00 0.00 C ATOM 294 O VAL A 72 -13.178 -1.632 -0.060 1.00 0.00 O ATOM 295 CB VAL A 72 -10.362 -0.800 1.368 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.453 -1.576 2.689 1.00 0.00 C ATOM 297 CG2 VAL A 72 -8.919 -0.300 1.252 1.00 0.00 C ATOM 0 H VAL A 72 -11.373 0.061 -0.962 1.00 0.00 H new ATOM 0 HA VAL A 72 -10.052 -2.388 0.007 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.065 0.033 1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.125 -0.938 3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -11.484 -1.884 2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.814 -2.458 2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.657 0.266 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.246 -1.151 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.826 0.342 0.376 1.00 0.00 H new ATOM 369 N SER A 77 -6.444 -6.460 3.779 1.00 0.00 N ATOM 370 CA SER A 77 -5.223 -6.203 4.477 1.00 0.00 C ATOM 371 C SER A 77 -4.201 -5.917 3.457 1.00 0.00 C ATOM 372 O SER A 77 -4.256 -6.514 2.409 1.00 0.00 O ATOM 373 CB SER A 77 -4.712 -7.449 5.176 1.00 0.00 C ATOM 374 OG SER A 77 -5.644 -7.879 6.158 1.00 0.00 O ATOM 0 HA SER A 77 -5.399 -5.401 5.194 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.549 -8.243 4.447 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.749 -7.243 5.644 1.00 0.00 H new ATOM 0 HG SER A 77 -6.552 -7.644 5.873 1.00 0.00 H new ATOM 380 N LEU A 78 -3.108 -5.269 3.895 1.00 0.00 N ATOM 381 CA LEU A 78 -2.090 -4.782 3.008 1.00 0.00 C ATOM 382 C LEU A 78 -1.690 -5.875 2.047 1.00 0.00 C ATOM 383 O LEU A 78 -1.805 -5.736 0.843 1.00 0.00 O ATOM 384 CB LEU A 78 -0.872 -4.340 3.819 1.00 0.00 C ATOM 385 CG LEU A 78 -0.763 -2.826 3.989 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.568 -2.091 2.712 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.054 -2.157 4.410 1.00 0.00 C ATOM 0 H LEU A 78 -2.925 -5.078 4.880 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.477 -3.932 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.914 -4.805 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.031 -4.708 3.331 1.00 0.00 H new ATOM 0 HG LEU A 78 0.057 -2.769 4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.500 -1.022 2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.351 -2.429 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.413 -2.282 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.892 -1.084 4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.821 -2.341 3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.380 -2.564 5.367 1.00 0.00 H new ATOM 399 N HIS A 79 -1.314 -7.055 2.566 1.00 0.00 N ATOM 400 CA HIS A 79 -0.683 -8.057 1.746 1.00 0.00 C ATOM 401 C HIS A 79 -1.729 -8.706 0.876 1.00 0.00 C ATOM 402 O HIS A 79 -1.396 -9.480 -0.011 1.00 0.00 O ATOM 403 CB HIS A 79 -0.060 -9.187 2.584 1.00 0.00 C ATOM 404 CG HIS A 79 1.431 -9.286 2.449 1.00 0.00 C ATOM 405 ND1 HIS A 79 2.089 -8.994 1.285 1.00 0.00 N ATOM 406 CD2 HIS A 79 2.357 -9.718 3.327 1.00 0.00 C ATOM 407 CE1 HIS A 79 3.386 -9.171 1.487 1.00 0.00 C ATOM 408 NE2 HIS A 79 3.571 -9.654 2.702 1.00 0.00 N ATOM 0 H HIS A 79 -1.442 -7.321 3.542 1.00 0.00 H new ATOM 0 HA HIS A 79 0.095 -7.555 1.171 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.311 -9.030 3.633 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.507 -10.136 2.287 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.174 -10.053 4.337 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.167 -8.955 0.773 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.466 -9.932 3.105 1.00 0.00 H new ATOM 417 N ASP A 80 -3.022 -8.467 1.164 1.00 0.00 N ATOM 418 CA ASP A 80 -4.070 -9.066 0.388 1.00 0.00 C ATOM 419 C ASP A 80 -4.728 -7.968 -0.396 1.00 0.00 C ATOM 420 O ASP A 80 -5.501 -8.231 -1.311 1.00 0.00 O ATOM 421 CB ASP A 80 -5.147 -9.687 1.290 1.00 0.00 C ATOM 422 CG ASP A 80 -4.591 -10.979 1.870 1.00 0.00 C ATOM 423 OD1 ASP A 80 -4.601 -12.005 1.139 1.00 0.00 O ATOM 424 OD2 ASP A 80 -4.159 -10.951 3.052 1.00 0.00 O ATOM 0 H ASP A 80 -3.342 -7.867 1.924 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.643 -9.844 -0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.418 -8.997 2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.054 -9.886 0.719 1.00 0.00 H new ATOM 429 N CYS A 81 -4.404 -6.709 -0.051 1.00 0.00 N ATOM 430 CA CYS A 81 -5.088 -5.581 -0.609 1.00 0.00 C ATOM 431 C CYS A 81 -4.130 -4.908 -1.557 1.00 0.00 C ATOM 432 O CYS A 81 -4.521 -4.082 -2.378 1.00 0.00 O ATOM 433 CB CYS A 81 -5.507 -4.618 0.521 1.00 0.00 C ATOM 434 SG CYS A 81 -6.829 -3.508 -0.068 1.00 0.00 S ATOM 0 H CYS A 81 -3.668 -6.471 0.614 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.991 -5.885 -1.138 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.854 -5.186 1.384 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.648 -4.033 0.849 1.00 0.00 H new ATOM 0 HG CYS A 81 -7.712 -3.347 0.873 1.00 0.00 H new ATOM 440 N LEU A 82 -2.841 -5.288 -1.459 1.00 0.00 N ATOM 441 CA LEU A 82 -1.824 -4.798 -2.353 1.00 0.00 C ATOM 442 C LEU A 82 -1.588 -5.865 -3.340 1.00 0.00 C ATOM 443 O LEU A 82 -1.063 -5.634 -4.422 1.00 0.00 O ATOM 444 CB LEU A 82 -0.500 -4.657 -1.608 1.00 0.00 C ATOM 445 CG LEU A 82 -0.485 -3.499 -0.619 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.774 -2.632 -0.717 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.676 -2.563 -0.775 1.00 0.00 C ATOM 0 H LEU A 82 -2.497 -5.941 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.139 -3.847 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.291 -5.584 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.303 -4.518 -2.332 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.521 -3.998 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.719 -1.826 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.654 -3.244 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.847 -2.208 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.606 -1.760 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.676 -2.139 -1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.600 -3.120 -0.616 1.00 0.00 H new ATOM 459 N MET A 83 -2.015 -7.070 -2.957 1.00 0.00 N ATOM 460 CA MET A 83 -1.972 -8.216 -3.810 1.00 0.00 C ATOM 461 C MET A 83 -2.995 -8.009 -4.888 1.00 0.00 C ATOM 462 O MET A 83 -3.282 -8.898 -5.672 1.00 0.00 O ATOM 463 CB MET A 83 -2.432 -9.371 -2.930 1.00 0.00 C ATOM 464 CG MET A 83 -2.747 -10.645 -3.698 1.00 0.00 C ATOM 465 SD MET A 83 -2.468 -12.092 -2.628 1.00 0.00 S ATOM 466 CE MET A 83 -2.921 -13.416 -3.791 1.00 0.00 C ATOM 0 H MET A 83 -2.401 -7.259 -2.032 1.00 0.00 H new ATOM 0 HA MET A 83 -0.991 -8.392 -4.251 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.657 -9.585 -2.194 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.320 -9.063 -2.378 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.782 -10.628 -4.041 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.118 -10.711 -4.586 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.809 -14.384 -3.302 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.957 -13.286 -4.105 1.00 0.00 H new ATOM 0 HE3 MET A 83 -2.269 -13.373 -4.663 1.00 0.00 H new ATOM 476 N LYS A 84 -3.706 -6.879 -4.790 1.00 0.00 N ATOM 477 CA LYS A 84 -4.481 -6.355 -5.877 1.00 0.00 C ATOM 478 C LYS A 84 -3.534 -5.656 -6.783 1.00 0.00 C ATOM 479 O LYS A 84 -3.431 -5.974 -7.964 1.00 0.00 O ATOM 480 CB LYS A 84 -5.357 -5.204 -5.380 1.00 0.00 C ATOM 481 CG LYS A 84 -6.713 -5.660 -4.877 1.00 0.00 C ATOM 482 CD LYS A 84 -6.627 -6.827 -3.895 1.00 0.00 C ATOM 483 CE LYS A 84 -7.958 -7.153 -3.214 1.00 0.00 C ATOM 484 NZ LYS A 84 -7.861 -8.430 -2.516 1.00 0.00 N ATOM 0 H LYS A 84 -3.748 -6.313 -3.942 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.054 -7.167 -6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.837 -4.680 -4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.499 -4.488 -6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.215 -4.822 -4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.329 -5.953 -5.727 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.273 -7.711 -4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.885 -6.595 -3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.219 -6.363 -2.510 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.755 -7.194 -3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.718 -8.580 -1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.767 -9.199 -3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.028 -8.423 -1.893 1.00 0.00 H new ATOM 498 N ALA A 85 -2.853 -4.661 -6.194 1.00 0.00 N ATOM 499 CA ALA A 85 -2.100 -3.682 -6.942 1.00 0.00 C ATOM 500 C ALA A 85 -1.017 -4.382 -7.699 1.00 0.00 C ATOM 501 O ALA A 85 -0.796 -4.116 -8.873 1.00 0.00 O ATOM 502 CB ALA A 85 -1.404 -2.844 -5.846 1.00 0.00 C ATOM 0 H ALA A 85 -2.818 -4.525 -5.184 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.722 -3.107 -7.628 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.801 -2.065 -6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.157 -2.385 -5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.762 -3.490 -5.247 1.00 0.00 H new ATOM 508 N LEU A 86 -0.298 -5.280 -7.012 1.00 0.00 N ATOM 509 CA LEU A 86 0.907 -5.842 -7.544 1.00 0.00 C ATOM 510 C LEU A 86 0.524 -7.006 -8.357 1.00 0.00 C ATOM 511 O LEU A 86 1.296 -7.475 -9.169 1.00 0.00 O ATOM 512 CB LEU A 86 1.700 -6.384 -6.377 1.00 0.00 C ATOM 513 CG LEU A 86 1.959 -5.321 -5.314 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.886 -5.856 -3.920 1.00 0.00 C ATOM 515 CD2 LEU A 86 3.113 -4.389 -5.660 1.00 0.00 C ATOM 0 H LEU A 86 -0.549 -5.621 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 86 1.468 -5.105 -8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.161 -7.219 -5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.652 -6.775 -6.737 1.00 0.00 H new ATOM 0 HG LEU A 86 1.117 -4.629 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.079 -5.051 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.893 -6.268 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.632 -6.640 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.242 -3.658 -4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.029 -4.970 -5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.895 -3.871 -6.594 1.00 0.00 H new ATOM 527 N LYS A 87 -0.663 -7.550 -8.064 1.00 0.00 N ATOM 528 CA LYS A 87 -1.220 -8.603 -8.868 1.00 0.00 C ATOM 529 C LYS A 87 -1.351 -8.092 -10.271 1.00 0.00 C ATOM 530 O LYS A 87 -1.017 -8.791 -11.226 1.00 0.00 O ATOM 531 CB LYS A 87 -2.652 -8.888 -8.432 1.00 0.00 C ATOM 532 CG LYS A 87 -2.950 -10.368 -8.245 1.00 0.00 C ATOM 533 CD LYS A 87 -3.615 -11.006 -9.468 1.00 0.00 C ATOM 534 CE LYS A 87 -3.939 -12.490 -9.283 1.00 0.00 C ATOM 535 NZ LYS A 87 -4.574 -13.016 -10.487 1.00 0.00 N ATOM 0 H LYS A 87 -1.243 -7.267 -7.274 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.584 -9.484 -8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.848 -8.366 -7.496 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.337 -8.479 -9.175 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.021 -10.895 -8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.599 -10.495 -7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.535 -10.467 -9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.958 -10.891 -10.330 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.026 -13.046 -9.071 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.599 -12.622 -8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.791 -14.024 -10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.454 -12.494 -10.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.930 -12.905 -11.296 1.00 0.00 H new ATOM 549 N VAL A 88 -1.890 -6.864 -10.381 1.00 0.00 N ATOM 550 CA VAL A 88 -2.128 -6.226 -11.650 1.00 0.00 C ATOM 551 C VAL A 88 -0.817 -6.149 -12.391 1.00 0.00 C ATOM 552 O VAL A 88 -0.775 -6.235 -13.618 1.00 0.00 O ATOM 553 CB VAL A 88 -2.604 -4.783 -11.415 1.00 0.00 C ATOM 554 CG1 VAL A 88 -2.730 -3.941 -12.685 1.00 0.00 C ATOM 555 CG2 VAL A 88 -3.891 -4.684 -10.599 1.00 0.00 C ATOM 0 H VAL A 88 -2.167 -6.300 -9.578 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.875 -6.789 -12.209 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.793 -4.358 -10.824 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.071 -2.939 -12.425 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.760 -3.878 -13.177 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.449 -4.405 -13.360 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.163 -3.636 -10.475 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.693 -5.208 -11.119 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.737 -5.137 -9.620 1.00 0.00 H new ATOM 565 N ARG A 89 0.281 -5.978 -11.637 1.00 0.00 N ATOM 566 CA ARG A 89 1.550 -5.689 -12.225 1.00 0.00 C ATOM 567 C ARG A 89 2.273 -6.985 -12.433 1.00 0.00 C ATOM 568 O ARG A 89 3.028 -7.141 -13.390 1.00 0.00 O ATOM 569 CB ARG A 89 2.295 -4.842 -11.200 1.00 0.00 C ATOM 570 CG ARG A 89 1.523 -3.577 -10.818 1.00 0.00 C ATOM 571 CD ARG A 89 2.313 -2.297 -11.072 1.00 0.00 C ATOM 572 NE ARG A 89 1.351 -1.154 -11.107 1.00 0.00 N ATOM 573 CZ ARG A 89 0.562 -0.941 -12.198 1.00 0.00 C ATOM 574 NH1 ARG A 89 0.652 -1.737 -13.280 1.00 0.00 N ATOM 575 NH2 ARG A 89 -0.300 0.099 -12.217 1.00 0.00 N ATOM 0 H ARG A 89 0.290 -6.040 -10.619 1.00 0.00 H new ATOM 0 HA ARG A 89 1.466 -5.172 -13.181 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.478 -5.437 -10.305 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.269 -4.563 -11.602 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.592 -3.541 -11.384 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.253 -3.627 -9.763 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.054 -2.146 -10.287 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.856 -2.366 -12.015 1.00 0.00 H new ATOM 0 HE ARG A 89 1.284 -0.526 -10.306 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.317 -2.511 -13.290 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.056 -1.566 -14.090 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.361 0.726 -11.415 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.890 0.258 -13.034 1.00 0.00 H new ATOM 589 N GLY A 90 2.070 -7.935 -11.505 1.00 0.00 N ATOM 590 CA GLY A 90 2.750 -9.199 -11.565 1.00 0.00 C ATOM 591 C GLY A 90 3.926 -9.113 -10.641 1.00 0.00 C ATOM 592 O GLY A 90 4.993 -9.651 -10.927 1.00 0.00 O ATOM 0 H GLY A 90 1.437 -7.833 -10.712 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.084 -10.009 -11.266 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.075 -9.413 -12.583 1.00 0.00 H new ATOM 596 N LEU A 91 3.742 -8.433 -9.492 1.00 0.00 N ATOM 597 CA LEU A 91 4.847 -8.160 -8.618 1.00 0.00 C ATOM 598 C LEU A 91 4.635 -8.949 -7.360 1.00 0.00 C ATOM 599 O LEU A 91 3.544 -9.454 -7.097 1.00 0.00 O ATOM 600 CB LEU A 91 4.915 -6.677 -8.224 1.00 0.00 C ATOM 601 CG LEU A 91 5.575 -5.769 -9.272 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.912 -5.177 -8.805 1.00 0.00 C ATOM 603 CD2 LEU A 91 5.759 -6.423 -10.649 1.00 0.00 C ATOM 0 H LEU A 91 2.842 -8.076 -9.170 1.00 0.00 H new ATOM 0 HA LEU A 91 5.769 -8.425 -9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.903 -6.317 -8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.465 -6.588 -7.287 1.00 0.00 H new ATOM 0 HG LEU A 91 4.855 -4.959 -9.387 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.325 -4.546 -9.592 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.752 -4.580 -7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.610 -5.984 -8.584 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.232 -5.714 -11.328 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.390 -7.307 -10.551 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.787 -6.714 -11.047 1.00 0.00 H new ATOM 615 N GLN A 92 5.686 -9.010 -6.515 1.00 0.00 N ATOM 616 CA GLN A 92 5.604 -9.732 -5.279 1.00 0.00 C ATOM 617 C GLN A 92 5.703 -8.721 -4.166 1.00 0.00 C ATOM 618 O GLN A 92 6.583 -7.861 -4.164 1.00 0.00 O ATOM 619 CB GLN A 92 6.757 -10.732 -5.115 1.00 0.00 C ATOM 620 CG GLN A 92 6.664 -11.926 -6.073 1.00 0.00 C ATOM 621 CD GLN A 92 7.530 -13.055 -5.522 1.00 0.00 C ATOM 622 OE1 GLN A 92 8.751 -13.050 -5.678 1.00 0.00 O ATOM 623 NE2 GLN A 92 6.900 -14.094 -4.893 1.00 0.00 N ATOM 0 H GLN A 92 6.586 -8.562 -6.687 1.00 0.00 H new ATOM 0 HA GLN A 92 4.669 -10.292 -5.261 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.703 -10.216 -5.279 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.768 -11.098 -4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.629 -12.255 -6.170 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.002 -11.640 -7.069 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.887 -14.079 -4.774 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.443 -14.883 -4.543 1.00 0.00 H new ATOM 632 N PRO A 93 4.839 -8.933 -3.180 1.00 0.00 N ATOM 633 CA PRO A 93 4.945 -7.914 -2.154 1.00 0.00 C ATOM 634 C PRO A 93 5.676 -8.578 -1.016 1.00 0.00 C ATOM 635 O PRO A 93 5.984 -7.936 -0.015 1.00 0.00 O ATOM 636 CB PRO A 93 3.530 -7.652 -1.679 1.00 0.00 C ATOM 637 CG PRO A 93 2.650 -8.737 -2.294 1.00 0.00 C ATOM 638 CD PRO A 93 3.469 -9.352 -3.419 1.00 0.00 C ATOM 0 HA PRO A 93 5.435 -7.002 -2.493 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.476 -7.681 -0.591 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.196 -6.662 -1.988 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.380 -9.488 -1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.719 -8.316 -2.674 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.385 -10.439 -3.416 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.118 -9.008 -4.392 1.00 0.00 H new ATOM 646 N GLU A 94 6.008 -9.880 -1.147 1.00 0.00 N ATOM 647 CA GLU A 94 6.461 -10.645 -0.015 1.00 0.00 C ATOM 648 C GLU A 94 7.839 -10.172 0.372 1.00 0.00 C ATOM 649 O GLU A 94 8.294 -10.414 1.488 1.00 0.00 O ATOM 650 CB GLU A 94 6.557 -12.156 -0.280 1.00 0.00 C ATOM 651 CG GLU A 94 5.215 -12.812 -0.635 1.00 0.00 C ATOM 652 CD GLU A 94 5.113 -12.900 -2.152 1.00 0.00 C ATOM 653 OE1 GLU A 94 5.043 -11.826 -2.801 1.00 0.00 O ATOM 654 OE2 GLU A 94 5.159 -14.038 -2.690 1.00 0.00 O ATOM 0 H GLU A 94 5.965 -10.399 -2.024 1.00 0.00 H new ATOM 0 HA GLU A 94 5.721 -10.491 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.261 -12.328 -1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.966 -12.645 0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.149 -13.806 -0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.388 -12.227 -0.232 1.00 0.00 H new ATOM 661 N CYS A 95 8.543 -9.484 -0.548 1.00 0.00 N ATOM 662 CA CYS A 95 9.923 -9.172 -0.315 1.00 0.00 C ATOM 663 C CYS A 95 10.055 -7.679 -0.268 1.00 0.00 C ATOM 664 O CYS A 95 11.133 -7.129 -0.496 1.00 0.00 O ATOM 665 CB CYS A 95 10.807 -9.661 -1.462 1.00 0.00 C ATOM 666 SG CYS A 95 10.843 -11.483 -1.474 1.00 0.00 S ATOM 0 H CYS A 95 8.168 -9.149 -1.435 1.00 0.00 H new ATOM 0 HA CYS A 95 10.234 -9.654 0.612 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.425 -9.289 -2.413 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.817 -9.268 -1.348 1.00 0.00 H new ATOM 0 HG CYS A 95 11.594 -11.896 -2.452 1.00 0.00 H new ATOM 672 N CYS A 96 8.961 -6.973 0.067 1.00 0.00 N ATOM 673 CA CYS A 96 8.978 -5.543 -0.014 1.00 0.00 C ATOM 674 C CYS A 96 8.466 -4.997 1.288 1.00 0.00 C ATOM 675 O CYS A 96 7.941 -5.731 2.126 1.00 0.00 O ATOM 676 CB CYS A 96 8.058 -5.029 -1.125 1.00 0.00 C ATOM 677 SG CYS A 96 8.696 -5.558 -2.748 1.00 0.00 S ATOM 0 H CYS A 96 8.082 -7.379 0.387 1.00 0.00 H new ATOM 0 HA CYS A 96 9.998 -5.223 -0.226 1.00 0.00 H new ATOM 0 HB2 CYS A 96 7.048 -5.411 -0.979 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.997 -3.941 -1.085 1.00 0.00 H new ATOM 0 HG CYS A 96 7.875 -6.415 -3.279 1.00 0.00 H new ATOM 683 N ALA A 97 8.611 -3.667 1.464 1.00 0.00 N ATOM 684 CA ALA A 97 8.023 -2.988 2.580 1.00 0.00 C ATOM 685 C ALA A 97 7.083 -1.981 2.008 1.00 0.00 C ATOM 686 O ALA A 97 7.425 -1.256 1.081 1.00 0.00 O ATOM 687 CB ALA A 97 9.021 -2.220 3.469 1.00 0.00 C ATOM 0 H ALA A 97 9.136 -3.063 0.832 1.00 0.00 H new ATOM 0 HA ALA A 97 7.560 -3.745 3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.484 -1.739 4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.755 -2.915 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.530 -1.462 2.874 1.00 0.00 H new ATOM 693 N VAL A 98 5.864 -1.911 2.562 1.00 0.00 N ATOM 694 CA VAL A 98 4.888 -0.996 2.054 1.00 0.00 C ATOM 695 C VAL A 98 4.789 0.138 3.027 1.00 0.00 C ATOM 696 O VAL A 98 5.064 -0.011 4.220 1.00 0.00 O ATOM 697 CB VAL A 98 3.509 -1.640 1.878 1.00 0.00 C ATOM 698 CG1 VAL A 98 3.105 -2.523 3.056 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.388 -0.636 1.621 1.00 0.00 C ATOM 0 H VAL A 98 5.553 -2.478 3.351 1.00 0.00 H new ATOM 0 HA VAL A 98 5.203 -0.660 1.066 1.00 0.00 H new ATOM 0 HB VAL A 98 3.631 -2.259 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.119 -2.949 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.832 -3.327 3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.075 -1.924 3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.443 -1.167 1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.317 0.054 2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.602 -0.077 0.710 1.00 0.00 H new ATOM 709 N PHE A 99 4.345 1.300 2.520 1.00 0.00 N ATOM 710 CA PHE A 99 4.323 2.490 3.308 1.00 0.00 C ATOM 711 C PHE A 99 3.135 3.279 2.884 1.00 0.00 C ATOM 712 O PHE A 99 2.594 3.082 1.798 1.00 0.00 O ATOM 713 CB PHE A 99 5.491 3.431 2.990 1.00 0.00 C ATOM 714 CG PHE A 99 6.744 2.800 3.477 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.429 1.886 2.696 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.349 3.234 4.656 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.746 1.588 2.964 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.640 2.887 4.954 1.00 0.00 C ATOM 719 CZ PHE A 99 9.368 2.169 4.045 1.00 0.00 C ATOM 0 H PHE A 99 4.002 1.415 1.566 1.00 0.00 H new ATOM 0 HA PHE A 99 4.344 2.180 4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.550 3.614 1.917 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.341 4.398 3.470 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.927 1.403 1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.792 3.853 5.344 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.288 0.902 2.329 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.079 3.177 5.897 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.434 2.058 4.176 1.00 0.00 H new ATOM 729 N ARG A 100 2.786 4.273 3.715 1.00 0.00 N ATOM 730 CA ARG A 100 2.030 5.386 3.249 1.00 0.00 C ATOM 731 C ARG A 100 2.991 6.532 3.203 1.00 0.00 C ATOM 732 O ARG A 100 3.913 6.623 4.013 1.00 0.00 O ATOM 733 CB ARG A 100 0.810 5.629 4.126 1.00 0.00 C ATOM 734 CG ARG A 100 0.581 7.080 4.546 1.00 0.00 C ATOM 735 CD ARG A 100 -0.289 7.171 5.797 1.00 0.00 C ATOM 736 NE ARG A 100 -0.989 8.488 5.796 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.392 9.606 6.286 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.855 9.556 6.790 1.00 0.00 N ATOM 739 NH2 ARG A 100 -1.072 10.773 6.287 1.00 0.00 N ATOM 0 H ARG A 100 3.027 4.305 4.706 1.00 0.00 H new ATOM 0 HA ARG A 100 1.608 5.223 2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -0.074 5.279 3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 100 0.903 5.019 5.025 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.541 7.561 4.734 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.105 7.625 3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.014 6.357 5.813 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.324 7.069 6.692 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.935 8.551 5.420 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.363 8.672 6.807 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.292 10.402 7.155 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.024 10.809 5.922 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.634 11.618 6.652 1.00 0.00 H new ATOM 753 N LEU A 101 2.843 7.397 2.193 1.00 0.00 N ATOM 754 CA LEU A 101 3.892 8.305 1.833 1.00 0.00 C ATOM 755 C LEU A 101 3.898 9.428 2.828 1.00 0.00 C ATOM 756 O LEU A 101 3.130 9.454 3.791 1.00 0.00 O ATOM 757 CB LEU A 101 3.619 8.923 0.449 1.00 0.00 C ATOM 758 CG LEU A 101 3.841 7.952 -0.713 1.00 0.00 C ATOM 759 CD1 LEU A 101 2.856 6.792 -0.722 1.00 0.00 C ATOM 760 CD2 LEU A 101 3.729 8.617 -2.089 1.00 0.00 C ATOM 0 H LEU A 101 2.001 7.473 1.622 1.00 0.00 H new ATOM 0 HA LEU A 101 4.839 7.765 1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.591 9.283 0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.265 9.791 0.314 1.00 0.00 H new ATOM 0 HG LEU A 101 4.856 7.593 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.068 6.141 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.953 6.225 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.840 7.178 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.897 7.873 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.734 9.046 -2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.476 9.406 -2.174 1.00 0.00 H new ATOM 772 N LEU A 102 4.776 10.419 2.587 1.00 0.00 N ATOM 773 CA LEU A 102 4.950 11.494 3.511 1.00 0.00 C ATOM 774 C LEU A 102 3.910 12.535 3.216 1.00 0.00 C ATOM 775 O LEU A 102 4.151 13.507 2.505 1.00 0.00 O ATOM 776 CB LEU A 102 6.354 12.105 3.452 1.00 0.00 C ATOM 777 CG LEU A 102 7.073 11.882 2.118 1.00 0.00 C ATOM 778 CD1 LEU A 102 6.297 12.428 0.918 1.00 0.00 C ATOM 779 CD2 LEU A 102 8.489 12.462 2.094 1.00 0.00 C ATOM 0 H LEU A 102 5.363 10.475 1.755 1.00 0.00 H new ATOM 0 HA LEU A 102 4.834 11.105 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.281 13.176 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.958 11.681 4.254 1.00 0.00 H new ATOM 0 HG LEU A 102 7.136 10.797 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.860 12.238 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.327 11.934 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.150 13.501 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.944 12.271 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.445 13.537 2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.088 11.992 2.874 1.00 0.00 H new ATOM 791 N HIS A 103 2.726 12.393 3.842 1.00 0.00 N ATOM 792 CA HIS A 103 1.692 13.371 3.670 1.00 0.00 C ATOM 793 C HIS A 103 1.794 14.335 4.816 1.00 0.00 C ATOM 794 O HIS A 103 1.159 15.388 4.817 1.00 0.00 O ATOM 795 CB HIS A 103 0.284 12.764 3.612 1.00 0.00 C ATOM 796 CG HIS A 103 0.010 12.060 2.315 1.00 0.00 C ATOM 797 ND1 HIS A 103 -1.224 11.555 1.997 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.774 11.946 1.205 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.205 11.161 0.734 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.003 11.383 0.232 1.00 0.00 N ATOM 0 H HIS A 103 2.486 11.616 4.457 1.00 0.00 H new ATOM 0 HA HIS A 103 1.838 13.866 2.710 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.162 12.060 4.435 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.454 13.553 3.755 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.807 12.245 1.106 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.038 10.728 0.200 1.00 0.00 H new ATOM 0 HE2 HIS A 103 0.294 11.170 -0.720 1.00 0.00 H new ATOM 809 N GLU A 104 2.643 14.009 5.812 1.00 0.00 N ATOM 810 CA GLU A 104 2.917 14.941 6.865 1.00 0.00 C ATOM 811 C GLU A 104 4.261 14.598 7.444 1.00 0.00 C ATOM 812 O GLU A 104 4.489 14.711 8.648 1.00 0.00 O ATOM 813 CB GLU A 104 1.836 15.091 7.947 1.00 0.00 C ATOM 814 CG GLU A 104 1.629 13.844 8.811 1.00 0.00 C ATOM 815 CD GLU A 104 1.050 12.739 7.940 1.00 0.00 C ATOM 816 OE1 GLU A 104 -0.111 12.884 7.470 1.00 0.00 O ATOM 817 OE2 GLU A 104 1.757 11.720 7.722 1.00 0.00 O ATOM 0 H GLU A 104 3.131 13.117 5.888 1.00 0.00 H new ATOM 0 HA GLU A 104 2.918 15.934 6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.101 15.927 8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.891 15.346 7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.576 13.525 9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.955 14.065 9.639 1.00 0.00 H new ATOM 824 N HIS A 105 5.198 14.162 6.576 1.00 0.00 N ATOM 825 CA HIS A 105 6.556 13.970 6.999 1.00 0.00 C ATOM 826 C HIS A 105 7.423 14.542 5.924 1.00 0.00 C ATOM 827 O HIS A 105 6.936 15.036 4.908 1.00 0.00 O ATOM 828 CB HIS A 105 6.991 12.502 7.220 1.00 0.00 C ATOM 829 CG HIS A 105 5.853 11.526 7.207 1.00 0.00 C ATOM 830 ND1 HIS A 105 4.884 11.521 8.171 1.00 0.00 N ATOM 831 CD2 HIS A 105 5.688 10.401 6.481 1.00 0.00 C ATOM 832 CE1 HIS A 105 4.117 10.457 7.990 1.00 0.00 C ATOM 833 NE2 HIS A 105 4.574 9.770 6.956 1.00 0.00 N ATOM 0 H HIS A 105 5.020 13.945 5.595 1.00 0.00 H new ATOM 0 HA HIS A 105 6.651 14.453 7.972 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.705 12.224 6.445 1.00 0.00 H new ATOM 0 HB3 HIS A 105 7.511 12.427 8.175 1.00 0.00 H new ATOM 0 HD1 HIS A 105 4.771 12.219 8.906 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.320 10.062 5.673 1.00 0.00 H new ATOM 0 HE1 HIS A 105 3.258 10.193 8.589 1.00 0.00 H new ATOM 842 N LYS A 106 8.751 14.489 6.126 1.00 0.00 N ATOM 843 CA LYS A 106 9.646 14.910 5.097 1.00 0.00 C ATOM 844 C LYS A 106 10.817 13.986 5.142 1.00 0.00 C ATOM 845 O LYS A 106 11.405 13.759 6.199 1.00 0.00 O ATOM 846 CB LYS A 106 10.136 16.328 5.371 1.00 0.00 C ATOM 847 CG LYS A 106 11.132 16.852 4.337 1.00 0.00 C ATOM 848 CD LYS A 106 10.522 17.069 2.947 1.00 0.00 C ATOM 849 CE LYS A 106 9.317 18.015 2.943 1.00 0.00 C ATOM 850 NZ LYS A 106 8.075 17.249 3.009 1.00 0.00 N ATOM 0 H LYS A 106 9.197 14.162 6.983 1.00 0.00 H new ATOM 0 HA LYS A 106 9.147 14.894 4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 106 9.277 16.998 5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 106 10.602 16.357 6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 106 11.549 17.795 4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.960 16.148 4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 106 11.288 17.468 2.282 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.217 16.105 2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.378 18.697 3.791 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.328 18.627 2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.373 17.670 2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 8.258 16.266 2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 7.709 17.265 3.982 1.00 0.00 H new ATOM 864 N GLY A 107 11.146 13.383 3.986 1.00 0.00 N ATOM 865 CA GLY A 107 12.335 12.586 3.893 1.00 0.00 C ATOM 866 C GLY A 107 11.925 11.150 3.804 1.00 0.00 C ATOM 867 O GLY A 107 12.321 10.441 2.882 1.00 0.00 O ATOM 0 H GLY A 107 10.600 13.444 3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.917 12.871 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 107 12.971 12.747 4.764 1.00 0.00 H new ATOM 871 N LYS A 108 11.137 10.673 4.789 1.00 0.00 N ATOM 872 CA LYS A 108 10.927 9.266 4.918 1.00 0.00 C ATOM 873 C LYS A 108 9.520 8.976 4.499 1.00 0.00 C ATOM 874 O LYS A 108 8.903 9.720 3.740 1.00 0.00 O ATOM 875 CB LYS A 108 11.091 8.799 6.371 1.00 0.00 C ATOM 876 CG LYS A 108 12.488 9.051 6.945 1.00 0.00 C ATOM 877 CD LYS A 108 13.579 8.167 6.329 1.00 0.00 C ATOM 878 CE LYS A 108 14.329 8.835 5.173 1.00 0.00 C ATOM 879 NZ LYS A 108 15.475 8.019 4.782 1.00 0.00 N ATOM 0 H LYS A 108 10.656 11.249 5.480 1.00 0.00 H new ATOM 0 HA LYS A 108 11.661 8.746 4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.355 9.309 6.992 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.872 7.733 6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.751 10.097 6.790 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.464 8.885 8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 108 14.294 7.893 7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.127 7.242 5.971 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.660 8.967 4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.665 9.828 5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.978 8.480 3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.119 7.914 5.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.145 7.081 4.478 1.00 0.00 H new ATOM 893 N LYS A 109 8.988 7.866 5.030 1.00 0.00 N ATOM 894 CA LYS A 109 7.728 7.349 4.604 1.00 0.00 C ATOM 895 C LYS A 109 7.115 6.706 5.808 1.00 0.00 C ATOM 896 O LYS A 109 7.824 6.167 6.658 1.00 0.00 O ATOM 897 CB LYS A 109 7.941 6.312 3.510 1.00 0.00 C ATOM 898 CG LYS A 109 8.590 6.882 2.259 1.00 0.00 C ATOM 899 CD LYS A 109 8.757 5.854 1.152 1.00 0.00 C ATOM 900 CE LYS A 109 10.164 5.871 0.570 1.00 0.00 C ATOM 901 NZ LYS A 109 10.145 5.449 -0.824 1.00 0.00 N ATOM 0 H LYS A 109 9.437 7.319 5.765 1.00 0.00 H new ATOM 0 HA LYS A 109 7.086 8.133 4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.564 5.506 3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.980 5.872 3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.986 7.711 1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 109 9.567 7.290 2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 109 8.538 4.860 1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 109 8.034 6.052 0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 109 10.583 6.874 0.647 1.00 0.00 H new ATOM 0 HE3 LYS A 109 10.811 5.210 1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.919 5.916 -1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 10.267 4.418 -0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.235 5.712 -1.254 1.00 0.00 H new ATOM 915 N ALA A 110 5.775 6.771 5.942 1.00 0.00 N ATOM 916 CA ALA A 110 5.142 6.175 7.086 1.00 0.00 C ATOM 917 C ALA A 110 4.990 4.723 6.792 1.00 0.00 C ATOM 918 O ALA A 110 4.260 4.329 5.887 1.00 0.00 O ATOM 919 CB ALA A 110 3.795 6.691 7.590 1.00 0.00 C ATOM 0 H ALA A 110 5.143 7.222 5.280 1.00 0.00 H new ATOM 0 HA ALA A 110 5.810 6.449 7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.486 6.112 8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.888 7.741 7.867 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.048 6.589 6.802 1.00 0.00 H new ATOM 925 N ARG A 111 5.686 3.878 7.569 1.00 0.00 N ATOM 926 CA ARG A 111 5.807 2.510 7.204 1.00 0.00 C ATOM 927 C ARG A 111 4.699 1.779 7.866 1.00 0.00 C ATOM 928 O ARG A 111 4.263 2.133 8.960 1.00 0.00 O ATOM 929 CB ARG A 111 7.139 2.003 7.716 1.00 0.00 C ATOM 930 CG ARG A 111 7.485 0.592 7.263 1.00 0.00 C ATOM 931 CD ARG A 111 7.224 -0.442 8.353 1.00 0.00 C ATOM 932 NE ARG A 111 8.138 -1.600 8.112 1.00 0.00 N ATOM 933 CZ ARG A 111 7.871 -2.508 7.132 1.00 0.00 C ATOM 934 NH1 ARG A 111 6.662 -2.557 6.541 1.00 0.00 N ATOM 935 NH2 ARG A 111 8.763 -3.487 6.858 1.00 0.00 N ATOM 0 H ARG A 111 6.157 4.139 8.435 1.00 0.00 H new ATOM 0 HA ARG A 111 5.758 2.370 6.124 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.925 2.682 7.385 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.131 2.031 8.806 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.898 0.342 6.379 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.534 0.553 6.971 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.404 -0.012 9.338 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.183 -0.766 8.331 1.00 0.00 H new ATOM 0 HE ARG A 111 8.972 -1.712 8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.929 -1.908 6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.480 -3.243 5.809 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.634 -3.545 7.385 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.564 -4.167 6.125 1.00 0.00 H new ATOM 949 N LEU A 112 4.229 0.723 7.192 1.00 0.00 N ATOM 950 CA LEU A 112 2.993 0.111 7.565 1.00 0.00 C ATOM 951 C LEU A 112 3.245 -1.338 7.768 1.00 0.00 C ATOM 952 O LEU A 112 4.365 -1.822 7.637 1.00 0.00 O ATOM 953 CB LEU A 112 1.947 0.220 6.459 1.00 0.00 C ATOM 954 CG LEU A 112 1.499 1.652 6.187 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.668 1.781 4.912 1.00 0.00 C ATOM 956 CD2 LEU A 112 0.817 2.320 7.389 1.00 0.00 C ATOM 0 H LEU A 112 4.697 0.293 6.395 1.00 0.00 H new ATOM 0 HA LEU A 112 2.625 0.613 8.460 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.353 -0.206 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.078 -0.379 6.731 1.00 0.00 H new ATOM 0 HG LEU A 112 2.421 2.209 6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.378 2.822 4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.258 1.450 4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.226 1.163 4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.525 3.336 7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.069 1.749 7.668 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.510 2.350 8.230 1.00 0.00 H new ATOM 968 N ASP A 113 2.152 -2.074 8.020 1.00 0.00 N ATOM 969 CA ASP A 113 2.241 -3.486 8.243 1.00 0.00 C ATOM 970 C ASP A 113 1.819 -4.166 6.982 1.00 0.00 C ATOM 971 O ASP A 113 1.219 -3.572 6.107 1.00 0.00 O ATOM 972 CB ASP A 113 1.369 -3.974 9.411 1.00 0.00 C ATOM 973 CG ASP A 113 1.865 -5.348 9.841 1.00 0.00 C ATOM 974 OD1 ASP A 113 2.978 -5.419 10.420 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.161 -6.345 9.530 1.00 0.00 O ATOM 0 H ASP A 113 1.206 -1.695 8.070 1.00 0.00 H new ATOM 0 HA ASP A 113 3.269 -3.726 8.514 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.424 -3.273 10.244 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.323 -4.026 9.107 1.00 0.00 H new ATOM 980 N TRP A 114 2.205 -5.446 6.827 1.00 0.00 N ATOM 981 CA TRP A 114 1.815 -6.193 5.682 1.00 0.00 C ATOM 982 C TRP A 114 0.453 -6.774 5.944 1.00 0.00 C ATOM 983 O TRP A 114 -0.177 -7.341 5.059 1.00 0.00 O ATOM 984 CB TRP A 114 2.856 -7.298 5.395 1.00 0.00 C ATOM 985 CG TRP A 114 3.749 -6.996 4.212 1.00 0.00 C ATOM 986 CD1 TRP A 114 5.093 -7.134 4.024 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.234 -6.416 3.018 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.440 -6.659 2.770 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.295 -6.214 2.132 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.955 -6.107 2.744 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.986 -5.687 0.882 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.672 -5.547 1.524 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.653 -5.423 0.566 1.00 0.00 C ATOM 0 H TRP A 114 2.784 -5.957 7.493 1.00 0.00 H new ATOM 0 HA TRP A 114 1.768 -5.553 4.801 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.476 -7.441 6.280 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.335 -8.239 5.216 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.782 -7.550 4.744 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.383 -6.640 2.381 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.172 -6.294 3.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.768 -5.485 0.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.671 -5.200 1.313 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.389 -5.119 -0.436 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.107 -6.501 7.135 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.462 -6.874 7.408 1.00 0.00 C ATOM 1006 C ASN A 115 -2.210 -5.612 7.680 1.00 0.00 C ATOM 1007 O ASN A 115 -3.222 -5.613 8.382 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.539 -7.693 8.703 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.591 -8.775 8.530 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.271 -9.943 8.305 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.875 -8.378 8.653 1.00 0.00 N ATOM 0 H ASN A 115 0.370 -6.028 7.902 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.858 -7.448 6.570 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.570 -8.140 8.926 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.794 -7.048 9.544 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.630 -9.057 8.559 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.090 -7.399 8.840 1.00 0.00 H new ATOM 1018 N THR A 116 -1.714 -4.476 7.146 1.00 0.00 N ATOM 1019 CA THR A 116 -2.143 -3.210 7.656 1.00 0.00 C ATOM 1020 C THR A 116 -3.560 -2.957 7.205 1.00 0.00 C ATOM 1021 O THR A 116 -4.020 -3.460 6.178 1.00 0.00 O ATOM 1022 CB THR A 116 -1.161 -2.027 7.510 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.544 -1.749 8.759 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.811 -0.659 7.238 1.00 0.00 C ATOM 0 H THR A 116 -1.037 -4.434 6.384 1.00 0.00 H new ATOM 0 HA THR A 116 -2.138 -3.281 8.744 1.00 0.00 H new ATOM 0 HB THR A 116 -0.520 -2.354 6.691 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.326 -0.795 8.811 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.035 0.102 7.152 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.379 -0.704 6.309 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.480 -0.404 8.060 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.299 -2.189 8.019 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.620 -1.761 7.671 1.00 0.00 C ATOM 1034 C ASP A 117 -5.472 -0.622 6.712 1.00 0.00 C ATOM 1035 O ASP A 117 -5.406 0.526 7.122 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.412 -1.272 8.900 1.00 0.00 C ATOM 1037 CG ASP A 117 -5.424 -0.789 9.957 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -4.727 -1.650 10.558 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -5.312 0.451 10.145 1.00 0.00 O ATOM 0 H ASP A 117 -3.980 -1.859 8.930 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.167 -2.600 7.241 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.088 -0.465 8.617 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.028 -2.079 9.298 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.564 -0.942 5.405 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.437 0.041 4.354 1.00 0.00 C ATOM 1046 C ALA A 118 -6.623 0.958 4.428 1.00 0.00 C ATOM 1047 O ALA A 118 -6.634 2.026 3.824 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.564 -0.799 3.066 1.00 0.00 C ATOM 0 H ALA A 118 -5.728 -1.891 5.068 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.520 0.627 4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.481 -0.147 2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.769 -1.544 3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.532 -1.300 3.053 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.601 0.599 5.280 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.791 1.380 5.438 1.00 0.00 C ATOM 1056 C ALA A 119 -8.495 2.508 6.384 1.00 0.00 C ATOM 1057 O ALA A 119 -9.314 3.406 6.565 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.624 0.327 6.192 1.00 0.00 C ATOM 0 H ALA A 119 -7.567 -0.237 5.863 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.227 1.808 4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.609 0.736 6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.734 -0.562 5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.119 0.061 7.121 1.00 0.00 H new ATOM 1064 N SER A 120 -7.295 2.511 7.002 1.00 0.00 N ATOM 1065 CA SER A 120 -6.937 3.596 7.875 1.00 0.00 C ATOM 1066 C SER A 120 -6.045 4.524 7.103 1.00 0.00 C ATOM 1067 O SER A 120 -5.840 5.673 7.488 1.00 0.00 O ATOM 1068 CB SER A 120 -6.241 3.167 9.178 1.00 0.00 C ATOM 1069 OG SER A 120 -4.983 2.568 8.901 1.00 0.00 O ATOM 0 H SER A 120 -6.588 1.783 6.903 1.00 0.00 H new ATOM 0 HA SER A 120 -7.862 4.077 8.193 1.00 0.00 H new ATOM 0 HB2 SER A 120 -6.102 4.034 9.825 1.00 0.00 H new ATOM 0 HB3 SER A 120 -6.873 2.463 9.719 1.00 0.00 H new ATOM 0 HG SER A 120 -5.098 1.601 8.793 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.514 4.032 5.966 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.670 4.833 5.122 1.00 0.00 C ATOM 1077 C LEU A 121 -5.520 5.287 4.001 1.00 0.00 C ATOM 1078 O LEU A 121 -5.034 5.859 3.026 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.531 4.001 4.518 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.673 3.298 5.571 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.590 4.077 6.885 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.208 1.918 5.941 1.00 0.00 C ATOM 0 H LEU A 121 -5.667 3.081 5.630 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.238 5.648 5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.953 3.254 3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.896 4.650 3.916 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.693 3.225 5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.968 3.530 7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.152 5.058 6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.591 4.199 7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.560 1.466 6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.217 2.015 6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.230 1.286 5.053 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.828 5.041 4.159 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.767 5.237 3.094 1.00 0.00 C ATOM 1096 C ILE A 122 -7.770 6.687 2.716 1.00 0.00 C ATOM 1097 O ILE A 122 -7.774 7.578 3.565 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.184 4.746 3.420 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.882 4.065 2.241 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.126 5.811 4.009 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.517 2.590 2.066 1.00 0.00 C ATOM 0 H ILE A 122 -7.242 4.704 5.028 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.443 4.625 2.252 1.00 0.00 H new ATOM 0 HB ILE A 122 -8.995 4.009 4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.961 4.148 2.374 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.632 4.601 1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.101 5.366 4.205 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.707 6.192 4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.237 6.631 3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -10.053 2.182 1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.444 2.498 1.899 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.793 2.038 2.964 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.719 6.932 1.397 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.859 8.265 0.877 1.00 0.00 C ATOM 1115 C GLY A 123 -6.485 8.818 0.616 1.00 0.00 C ATOM 1116 O GLY A 123 -6.344 9.899 0.045 1.00 0.00 O ATOM 0 H GLY A 123 -7.581 6.213 0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.445 8.254 -0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.393 8.896 1.588 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.429 8.064 0.983 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.103 8.604 0.934 1.00 0.00 C ATOM 1122 C GLU A 124 -3.384 7.955 -0.212 1.00 0.00 C ATOM 1123 O GLU A 124 -3.990 7.353 -1.099 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.301 8.293 2.205 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.062 8.592 3.503 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.649 9.975 3.997 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.462 10.890 3.148 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -3.384 10.117 5.222 1.00 0.00 O ATOM 0 H GLU A 124 -5.491 7.099 1.308 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.184 9.686 0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.016 7.241 2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.379 8.874 2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.137 8.557 3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.837 7.837 4.257 1.00 0.00 H new ATOM 1135 N GLU A 125 -2.042 8.043 -0.183 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.229 7.360 -1.145 1.00 0.00 C ATOM 1137 C GLU A 125 -0.457 6.328 -0.398 1.00 0.00 C ATOM 1138 O GLU A 125 -0.063 6.549 0.748 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.198 8.275 -1.827 1.00 0.00 C ATOM 1140 CG GLU A 125 -0.736 8.961 -3.084 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.584 10.469 -2.929 1.00 0.00 C ATOM 1142 OE1 GLU A 125 0.382 10.912 -2.249 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -1.468 11.200 -3.454 1.00 0.00 O ATOM 0 H GLU A 125 -1.519 8.586 0.505 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.886 6.959 -1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.128 9.036 -1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.681 7.687 -2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.192 8.616 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.784 8.702 -3.235 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.185 5.188 -1.062 1.00 0.00 N ATOM 1151 CA LEU A 126 0.706 4.221 -0.502 1.00 0.00 C ATOM 1152 C LEU A 126 1.793 3.978 -1.488 1.00 0.00 C ATOM 1153 O LEU A 126 1.666 4.273 -2.675 1.00 0.00 O ATOM 1154 CB LEU A 126 0.063 2.873 -0.172 1.00 0.00 C ATOM 1155 CG LEU A 126 -0.580 2.838 1.212 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -2.015 3.337 1.228 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.350 1.520 1.947 1.00 0.00 C ATOM 0 H LEU A 126 -0.575 4.940 -1.971 1.00 0.00 H new ATOM 0 HA LEU A 126 1.059 4.635 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.693 2.645 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.820 2.091 -0.234 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.043 3.575 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.407 3.284 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.045 4.370 0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.624 2.716 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.832 1.559 2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.774 0.701 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.720 1.358 2.077 1.00 0.00 H new ATOM 1169 N GLN A 127 2.905 3.413 -0.991 1.00 0.00 N ATOM 1170 CA GLN A 127 4.026 3.123 -1.832 1.00 0.00 C ATOM 1171 C GLN A 127 4.618 1.857 -1.323 1.00 0.00 C ATOM 1172 O GLN A 127 4.444 1.505 -0.160 1.00 0.00 O ATOM 1173 CB GLN A 127 5.121 4.202 -1.780 1.00 0.00 C ATOM 1174 CG GLN A 127 6.058 4.195 -2.998 1.00 0.00 C ATOM 1175 CD GLN A 127 7.478 4.457 -2.513 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.782 5.536 -2.006 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.382 3.460 -2.700 1.00 0.00 N ATOM 0 H GLN A 127 3.030 3.157 -0.012 1.00 0.00 H new ATOM 0 HA GLN A 127 3.677 3.066 -2.863 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.649 5.182 -1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.714 4.061 -0.876 1.00 0.00 H new ATOM 0 HG2 GLN A 127 6.004 3.236 -3.513 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.755 4.959 -3.714 1.00 0.00 H new ATOM 0 HE21 GLN A 127 8.090 2.580 -3.124 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.353 3.592 -2.416 1.00 0.00 H new ATOM 1186 N VAL A 128 5.331 1.135 -2.200 1.00 0.00 N ATOM 1187 CA VAL A 128 6.007 -0.052 -1.781 1.00 0.00 C ATOM 1188 C VAL A 128 7.456 0.155 -2.074 1.00 0.00 C ATOM 1189 O VAL A 128 7.818 0.826 -3.040 1.00 0.00 O ATOM 1190 CB VAL A 128 5.482 -1.317 -2.476 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.379 -2.543 -2.289 1.00 0.00 C ATOM 1192 CG2 VAL A 128 4.112 -1.765 -1.952 1.00 0.00 C ATOM 0 H VAL A 128 5.440 1.367 -3.187 1.00 0.00 H new ATOM 0 HA VAL A 128 5.831 -0.217 -0.718 1.00 0.00 H new ATOM 0 HB VAL A 128 5.443 -1.010 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.942 -3.396 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.368 -2.336 -2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.467 -2.771 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.796 -2.663 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.183 -1.979 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.383 -0.972 -2.115 1.00 0.00 H new ATOM 1202 N ASP A 129 8.323 -0.358 -1.183 1.00 0.00 N ATOM 1203 CA ASP A 129 9.735 -0.173 -1.338 1.00 0.00 C ATOM 1204 C ASP A 129 10.386 -1.469 -0.978 1.00 0.00 C ATOM 1205 O ASP A 129 9.716 -2.450 -0.667 1.00 0.00 O ATOM 1206 CB ASP A 129 10.287 0.927 -0.414 1.00 0.00 C ATOM 1207 CG ASP A 129 11.238 1.795 -1.222 1.00 0.00 C ATOM 1208 OD1 ASP A 129 12.281 1.254 -1.680 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.911 2.998 -1.420 1.00 0.00 O ATOM 0 H ASP A 129 8.051 -0.897 -0.361 1.00 0.00 H new ATOM 0 HA ASP A 129 9.942 0.131 -2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.472 1.529 -0.011 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.806 0.484 0.436 1.00 0.00 H new ATOM 1214 N PHE A 130 11.731 -1.492 -0.983 1.00 0.00 N ATOM 1215 CA PHE A 130 12.437 -2.691 -0.641 1.00 0.00 C ATOM 1216 C PHE A 130 12.678 -2.657 0.837 1.00 0.00 C ATOM 1217 O PHE A 130 12.759 -1.589 1.443 1.00 0.00 O ATOM 1218 CB PHE A 130 13.795 -2.791 -1.347 1.00 0.00 C ATOM 1219 CG PHE A 130 13.546 -2.757 -2.818 1.00 0.00 C ATOM 1220 CD1 PHE A 130 13.226 -3.910 -3.519 1.00 0.00 C ATOM 1221 CD2 PHE A 130 13.615 -1.552 -3.529 1.00 0.00 C ATOM 1222 CE1 PHE A 130 12.947 -3.864 -4.875 1.00 0.00 C ATOM 1223 CE2 PHE A 130 13.333 -1.508 -4.881 1.00 0.00 C ATOM 1224 CZ PHE A 130 12.997 -2.666 -5.556 1.00 0.00 C ATOM 0 H PHE A 130 12.323 -0.696 -1.219 1.00 0.00 H new ATOM 0 HA PHE A 130 11.840 -3.548 -0.952 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.442 -1.966 -1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 130 14.305 -3.713 -1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 130 13.194 -4.857 -3.001 1.00 0.00 H new ATOM 0 HD2 PHE A 130 13.893 -0.645 -3.013 1.00 0.00 H new ATOM 0 HE1 PHE A 130 12.689 -4.771 -5.402 1.00 0.00 H new ATOM 0 HE2 PHE A 130 13.375 -0.568 -5.411 1.00 0.00 H new ATOM 0 HZ PHE A 130 12.775 -2.633 -6.612 1.00 0.00 H new