USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 200 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 112 THR OG1 : rot -41:sc= 0.489 USER MOD Set 1.2: A 115 THR OG1 : rot -160:sc= 0.806 USER MOD Set 2.1: A 59 ASN : amide:sc= -1.77! C(o=-1.9!,f=-4.5!) USER MOD Set 2.2: A 109 LYS NZ :NH3+ 157:sc= -0.0891 (180deg=-0.516) USER MOD Set 3.1: A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 94 ASN : amide:sc= 1.31 K(o=1.3,f=-3.2!) USER MOD Set 4.1: A 56 SER OG : rot 38:sc= -0.718 USER MOD Set 4.2: A 60 MET CE :methyl -177:sc= -1.92 (180deg=-1.57) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -167:sc=-0.00342 (180deg=-0.166) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 89:sc= 0.158 USER MOD Single : A 17 MET CE :methyl -162:sc= 0 (180deg=-0.737) USER MOD Single : A 23 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.097) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= 0.0256 (180deg=0.00309) USER MOD Single : A 31 ASN : amide:sc= 0.736 K(o=0.74,f=0) USER MOD Single : A 32 ASN : amide:sc= -1.83 K(o=-1.8,f=-4.7!) USER MOD Single : A 44 ASN : amide:sc= -0.687 K(o=-0.69,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0199) USER MOD Single : A 47 GLN : amide:sc= -0.115 K(o=-0.12,f=-3.5!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 63 MET CE :methyl -172:sc= 0 (180deg=-0.0738) USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0357) USER MOD Single : A 71 THR OG1 : rot -4:sc= 0.126 USER MOD Single : A 78 MET CE :methyl 149:sc= -0.0949 (180deg=-2.69!) USER MOD Single : A 79 SER OG : rot 107:sc= 0.118 USER MOD Single : A 85 MET CE :methyl -168:sc= -2.18 (180deg=-2.52) USER MOD Single : A 87 THR OG1 : rot 160:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.609 K(o=-0.61,f=-2) USER MOD Single : A 104 SER OG : rot -120:sc= 0.716 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 122 LYS NZ :NH3+ -113:sc= -0.0964 (180deg=-0.637) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -14.175 -1.189 -7.626 1.00 0.00 N ATOM 38 CA LYS A 4 -14.945 -1.659 -6.446 1.00 0.00 C ATOM 39 C LYS A 4 -14.505 -2.979 -5.796 1.00 0.00 C ATOM 40 O LYS A 4 -14.535 -3.129 -4.576 1.00 0.00 O ATOM 41 CB LYS A 4 -16.455 -1.679 -6.706 1.00 0.00 C ATOM 42 CG LYS A 4 -16.975 -0.289 -7.066 1.00 0.00 C ATOM 43 CD LYS A 4 -18.435 -0.379 -7.486 1.00 0.00 C ATOM 44 CE LYS A 4 -18.935 0.951 -8.056 1.00 0.00 C ATOM 45 NZ LYS A 4 -20.325 0.761 -8.476 1.00 0.00 N ATOM 0 HA LYS A 4 -14.698 -0.898 -5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.677 -2.374 -7.516 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.974 -2.045 -5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.873 0.380 -6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.380 0.134 -7.875 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.553 -1.164 -8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.045 -0.661 -6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.866 1.739 -7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.319 1.261 -8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.694 1.651 -8.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.370 0.017 -9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.900 0.480 -7.656 1.00 0.00 H new ATOM 50 N GLU A 5 -14.005 -3.879 -6.636 1.00 0.00 N ATOM 51 CA GLU A 5 -13.515 -5.209 -6.226 1.00 0.00 C ATOM 52 C GLU A 5 -12.045 -5.429 -6.586 1.00 0.00 C ATOM 53 O GLU A 5 -11.685 -5.699 -7.726 1.00 0.00 O ATOM 54 CB GLU A 5 -14.435 -6.299 -6.796 1.00 0.00 C ATOM 55 CG GLU A 5 -15.415 -6.859 -5.756 1.00 0.00 C ATOM 56 CD GLU A 5 -16.285 -5.809 -5.056 1.00 0.00 C ATOM 57 OE1 GLU A 5 -17.215 -5.309 -5.736 1.00 0.00 O ATOM 58 OE2 GLU A 5 -16.055 -5.579 -3.846 1.00 0.00 O ATOM 0 H GLU A 5 -13.923 -3.711 -7.639 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.552 -5.268 -5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.998 -5.890 -7.635 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.825 -7.113 -7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.067 -7.582 -6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.848 -7.402 -5.000 1.00 0.00 H new ATOM 60 N LEU A 6 -11.225 -5.039 -5.616 1.00 0.00 N ATOM 61 CA LEU A 6 -9.755 -5.149 -5.676 1.00 0.00 C ATOM 62 C LEU A 6 -9.255 -5.479 -4.266 1.00 0.00 C ATOM 63 O LEU A 6 -9.655 -4.819 -3.306 1.00 0.00 O ATOM 64 CB LEU A 6 -9.175 -3.799 -6.126 1.00 0.00 C ATOM 65 CG LEU A 6 -7.755 -3.909 -6.716 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.455 -2.679 -7.566 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.685 -4.059 -5.636 1.00 0.00 C ATOM 0 H LEU A 6 -11.561 -4.628 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.448 -5.924 -6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.837 -3.358 -6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.155 -3.119 -5.275 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.727 -4.809 -7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.451 -2.760 -7.981 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.179 -2.612 -8.378 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.521 -1.784 -6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.703 -4.132 -6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.709 -3.191 -4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.878 -4.961 -5.055 1.00 0.00 H new ATOM 69 N LYS A 7 -8.435 -6.529 -4.166 1.00 0.00 N ATOM 70 CA LYS A 7 -7.855 -6.959 -2.876 1.00 0.00 C ATOM 71 C LYS A 7 -6.615 -6.159 -2.466 1.00 0.00 C ATOM 72 O LYS A 7 -5.575 -6.199 -3.116 1.00 0.00 O ATOM 73 CB LYS A 7 -7.575 -8.459 -2.826 1.00 0.00 C ATOM 74 CG LYS A 7 -8.855 -9.279 -2.756 1.00 0.00 C ATOM 75 CD LYS A 7 -8.545 -10.739 -2.396 1.00 0.00 C ATOM 76 CE LYS A 7 -9.815 -11.579 -2.276 1.00 0.00 C ATOM 77 NZ LYS A 7 -10.645 -11.129 -1.156 1.00 0.00 N ATOM 0 H LYS A 7 -8.153 -7.103 -4.961 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.628 -6.741 -2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.006 -8.751 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.954 -8.683 -1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.527 -8.851 -2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.372 -9.238 -3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.895 -11.170 -3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.998 -10.772 -1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.385 -11.515 -3.203 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.549 -12.627 -2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.378 -11.840 -0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.050 -11.003 -0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.096 -10.224 -1.400 1.00 0.00 H new ATOM 82 N PHE A 8 -6.825 -5.409 -1.386 1.00 0.00 N ATOM 83 CA PHE A 8 -5.825 -4.529 -0.766 1.00 0.00 C ATOM 84 C PHE A 8 -5.245 -5.119 0.524 1.00 0.00 C ATOM 85 O PHE A 8 -5.985 -5.519 1.424 1.00 0.00 O ATOM 86 CB PHE A 8 -6.465 -3.199 -0.356 1.00 0.00 C ATOM 87 CG PHE A 8 -6.905 -2.339 -1.536 1.00 0.00 C ATOM 88 CD1 PHE A 8 -5.985 -1.409 -2.066 1.00 0.00 C ATOM 89 CD2 PHE A 8 -8.235 -2.399 -1.996 1.00 0.00 C ATOM 90 CE1 PHE A 8 -6.405 -0.499 -3.056 1.00 0.00 C ATOM 91 CE2 PHE A 8 -8.645 -1.499 -3.006 1.00 0.00 C ATOM 92 CZ PHE A 8 -7.735 -0.559 -3.526 1.00 0.00 C ATOM 0 H PHE A 8 -7.722 -5.393 -0.900 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.042 -4.403 -1.514 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.329 -3.402 0.276 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.754 -2.635 0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.964 -1.395 -1.714 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.928 -3.118 -1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.718 0.235 -3.450 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.658 -1.533 -3.379 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.059 0.126 -4.296 1.00 0.00 H new ATOM 94 N LEU A 9 -3.925 -5.069 0.624 1.00 0.00 N ATOM 95 CA LEU A 9 -3.255 -5.539 1.844 1.00 0.00 C ATOM 96 C LEU A 9 -2.625 -4.359 2.584 1.00 0.00 C ATOM 97 O LEU A 9 -1.635 -3.759 2.144 1.00 0.00 O ATOM 98 CB LEU A 9 -2.285 -6.679 1.524 1.00 0.00 C ATOM 99 CG LEU A 9 -1.835 -7.509 2.754 1.00 0.00 C ATOM 100 CD1 LEU A 9 -0.645 -6.839 3.404 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.925 -7.889 3.754 1.00 0.00 C ATOM 0 H LEU A 9 -3.302 -4.717 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.984 -5.968 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.756 -7.348 0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.401 -6.262 1.041 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.545 -8.485 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.327 -7.421 4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.174 -6.777 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.923 -5.835 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.487 -8.467 4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.381 -6.984 4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.686 -8.488 3.253 1.00 0.00 H new ATOM 103 N VAL A 10 -3.375 -3.949 3.594 1.00 0.00 N ATOM 104 CA VAL A 10 -3.035 -2.839 4.504 1.00 0.00 C ATOM 105 C VAL A 10 -2.015 -3.349 5.534 1.00 0.00 C ATOM 106 O VAL A 10 -2.335 -4.099 6.454 1.00 0.00 O ATOM 107 CB VAL A 10 -4.315 -2.259 5.124 1.00 0.00 C ATOM 108 CG1 VAL A 10 -4.055 -1.259 6.264 1.00 0.00 C ATOM 109 CG2 VAL A 10 -5.165 -1.569 4.054 1.00 0.00 C ATOM 0 H VAL A 10 -4.268 -4.386 3.820 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.567 -2.012 3.969 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.842 -3.112 5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.006 -0.893 6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.504 -1.754 7.064 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.470 -0.420 5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.068 -1.164 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.593 -0.759 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.440 -2.292 3.286 1.00 0.00 H new ATOM 111 N VAL A 11 -0.775 -2.949 5.294 1.00 0.00 N ATOM 112 CA VAL A 11 0.365 -3.319 6.144 1.00 0.00 C ATOM 113 C VAL A 11 0.675 -2.129 7.054 1.00 0.00 C ATOM 114 O VAL A 11 1.395 -1.199 6.684 1.00 0.00 O ATOM 115 CB VAL A 11 1.665 -3.659 5.394 1.00 0.00 C ATOM 116 CG1 VAL A 11 2.425 -4.659 6.254 1.00 0.00 C ATOM 117 CG2 VAL A 11 1.485 -4.199 3.974 1.00 0.00 C ATOM 0 H VAL A 11 -0.522 -2.356 4.503 1.00 0.00 H new ATOM 0 HA VAL A 11 0.061 -4.224 6.671 1.00 0.00 H new ATOM 0 HB VAL A 11 2.212 -2.728 5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.358 -4.930 5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.645 -4.212 7.223 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.817 -5.553 6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.462 -4.406 3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.900 -5.118 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.965 -3.458 3.366 1.00 0.00 H new ATOM 119 N ASP A 12 0.025 -2.139 8.214 1.00 0.00 N ATOM 120 CA ASP A 12 0.215 -1.059 9.184 1.00 0.00 C ATOM 121 C ASP A 12 0.465 -1.589 10.604 1.00 0.00 C ATOM 122 O ASP A 12 -0.365 -2.249 11.224 1.00 0.00 O ATOM 123 CB ASP A 12 -0.965 -0.089 9.104 1.00 0.00 C ATOM 124 CG ASP A 12 -0.635 1.271 9.694 1.00 0.00 C ATOM 125 OD1 ASP A 12 -0.445 1.321 10.934 1.00 0.00 O ATOM 126 OD2 ASP A 12 -0.475 2.211 8.894 1.00 0.00 O ATOM 0 H ASP A 12 -0.627 -2.868 8.504 1.00 0.00 H new ATOM 0 HA ASP A 12 1.120 -0.509 8.927 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.263 0.032 8.062 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.818 -0.514 9.632 1.00 0.00 H new ATOM 128 N ASP A 13 1.625 -1.169 11.094 1.00 0.00 N ATOM 129 CA ASP A 13 2.145 -1.499 12.434 1.00 0.00 C ATOM 130 C ASP A 13 1.285 -1.009 13.614 1.00 0.00 C ATOM 131 O ASP A 13 1.305 -1.609 14.684 1.00 0.00 O ATOM 132 CB ASP A 13 3.595 -1.009 12.574 1.00 0.00 C ATOM 133 CG ASP A 13 3.765 0.501 12.394 1.00 0.00 C ATOM 134 OD1 ASP A 13 3.635 0.931 11.224 1.00 0.00 O ATOM 135 OD2 ASP A 13 3.905 1.191 13.424 1.00 0.00 O ATOM 0 H ASP A 13 2.256 -0.571 10.561 1.00 0.00 H new ATOM 0 HA ASP A 13 2.104 -2.586 12.499 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.969 -1.291 13.558 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.214 -1.524 11.839 1.00 0.00 H new ATOM 137 N PHE A 14 0.585 0.101 13.404 1.00 0.00 N ATOM 138 CA PHE A 14 -0.285 0.701 14.434 1.00 0.00 C ATOM 139 C PHE A 14 -1.735 0.281 14.184 1.00 0.00 C ATOM 140 O PHE A 14 -2.345 0.671 13.184 1.00 0.00 O ATOM 141 CB PHE A 14 -0.185 2.231 14.354 1.00 0.00 C ATOM 142 CG PHE A 14 -0.345 2.871 15.734 1.00 0.00 C ATOM 143 CD1 PHE A 14 -1.645 3.191 16.194 1.00 0.00 C ATOM 144 CD2 PHE A 14 0.795 3.141 16.524 1.00 0.00 C ATOM 145 CE1 PHE A 14 -1.795 3.781 17.474 1.00 0.00 C ATOM 146 CE2 PHE A 14 0.645 3.731 17.794 1.00 0.00 C ATOM 147 CZ PHE A 14 -0.655 4.051 18.254 1.00 0.00 C ATOM 0 H PHE A 14 0.598 0.615 12.523 1.00 0.00 H new ATOM 0 HA PHE A 14 0.031 0.360 15.420 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.779 2.513 13.929 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.953 2.613 13.682 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.509 2.989 15.579 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.780 2.895 16.155 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.779 4.022 17.849 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.509 3.936 18.408 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.774 4.512 19.223 1.00 0.00 H new ATOM 149 N SER A 15 -2.305 -0.369 15.194 1.00 0.00 N ATOM 150 CA SER A 15 -3.695 -0.879 15.174 1.00 0.00 C ATOM 151 C SER A 15 -4.745 0.161 14.734 1.00 0.00 C ATOM 152 O SER A 15 -5.425 -0.039 13.724 1.00 0.00 O ATOM 153 CB SER A 15 -4.075 -1.479 16.534 1.00 0.00 C ATOM 154 OG SER A 15 -3.775 -0.549 17.584 1.00 0.00 O ATOM 0 H SER A 15 -1.817 -0.565 16.068 1.00 0.00 H new ATOM 0 HA SER A 15 -3.708 -1.658 14.412 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.137 -1.725 16.548 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.530 -2.409 16.695 1.00 0.00 H new ATOM 0 HG SER A 15 -4.022 -0.940 18.448 1.00 0.00 H new ATOM 157 N THR A 16 -4.705 1.341 15.364 1.00 0.00 N ATOM 158 CA THR A 16 -5.625 2.461 15.044 1.00 0.00 C ATOM 159 C THR A 16 -5.485 2.891 13.574 1.00 0.00 C ATOM 160 O THR A 16 -6.455 2.821 12.824 1.00 0.00 O ATOM 161 CB THR A 16 -5.355 3.671 15.944 1.00 0.00 C ATOM 162 OG1 THR A 16 -4.985 3.231 17.254 1.00 0.00 O ATOM 163 CG2 THR A 16 -6.585 4.581 16.024 1.00 0.00 C ATOM 0 H THR A 16 -4.041 1.555 16.108 1.00 0.00 H new ATOM 0 HA THR A 16 -6.639 2.101 15.219 1.00 0.00 H new ATOM 0 HB THR A 16 -4.535 4.244 15.511 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.013 3.111 17.296 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.367 5.432 16.669 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.839 4.938 15.026 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.426 4.021 16.434 1.00 0.00 H new ATOM 166 N MET A 17 -4.235 3.121 13.144 1.00 0.00 N ATOM 167 CA MET A 17 -3.945 3.551 11.754 1.00 0.00 C ATOM 168 C MET A 17 -4.395 2.501 10.714 1.00 0.00 C ATOM 169 O MET A 17 -5.065 2.841 9.744 1.00 0.00 O ATOM 170 CB MET A 17 -2.455 3.871 11.624 1.00 0.00 C ATOM 171 CG MET A 17 -2.175 5.041 10.674 1.00 0.00 C ATOM 172 SD MET A 17 -2.595 4.751 8.914 1.00 0.00 S ATOM 173 CE MET A 17 -3.875 5.971 8.704 1.00 0.00 C ATOM 0 H MET A 17 -3.407 3.019 13.731 1.00 0.00 H new ATOM 0 HA MET A 17 -4.522 4.451 11.542 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.052 4.106 12.609 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.929 2.986 11.267 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.732 5.910 11.023 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.117 5.293 10.739 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.461 5.734 7.816 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.525 5.970 9.579 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.423 6.956 8.589 1.00 0.00 H new ATOM 175 N ARG A 18 -4.165 1.231 11.044 1.00 0.00 N ATOM 176 CA ARG A 18 -4.535 0.071 10.204 1.00 0.00 C ATOM 177 C ARG A 18 -6.055 0.041 9.934 1.00 0.00 C ATOM 178 O ARG A 18 -6.465 0.091 8.774 1.00 0.00 O ATOM 179 CB ARG A 18 -4.045 -1.189 10.934 1.00 0.00 C ATOM 180 CG ARG A 18 -4.005 -2.429 10.034 1.00 0.00 C ATOM 181 CD ARG A 18 -3.365 -3.629 10.734 1.00 0.00 C ATOM 182 NE ARG A 18 -4.155 -4.039 11.914 1.00 0.00 N ATOM 183 CZ ARG A 18 -3.705 -4.129 13.164 1.00 0.00 C ATOM 184 NH1 ARG A 18 -2.455 -3.839 13.504 1.00 0.00 N ATOM 185 NH2 ARG A 18 -4.575 -4.419 14.124 1.00 0.00 N ATOM 0 H ARG A 18 -3.709 0.965 11.916 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.065 0.134 9.222 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.048 -1.005 11.334 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.698 -1.386 11.784 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.019 -2.687 9.728 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.447 -2.200 9.126 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.288 -4.463 10.036 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.350 -3.376 11.042 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.135 -4.275 11.756 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.791 -3.531 12.793 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.158 -3.924 14.476 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.558 -4.566 13.894 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.261 -4.495 15.091 1.00 0.00 H new ATOM 192 N ARG A 19 -6.825 0.201 11.014 1.00 0.00 N ATOM 193 CA ARG A 19 -8.305 0.251 10.954 1.00 0.00 C ATOM 194 C ARG A 19 -8.805 1.401 10.074 1.00 0.00 C ATOM 195 O ARG A 19 -9.535 1.151 9.114 1.00 0.00 O ATOM 196 CB ARG A 19 -8.905 0.411 12.354 1.00 0.00 C ATOM 197 CG ARG A 19 -9.465 -0.879 12.954 1.00 0.00 C ATOM 198 CD ARG A 19 -8.385 -1.809 13.514 1.00 0.00 C ATOM 199 NE ARG A 19 -8.005 -2.849 12.534 1.00 0.00 N ATOM 200 CZ ARG A 19 -7.575 -4.069 12.844 1.00 0.00 C ATOM 201 NH1 ARG A 19 -7.565 -4.519 14.094 1.00 0.00 N ATOM 202 NH2 ARG A 19 -7.245 -4.919 11.874 1.00 0.00 N ATOM 0 H ARG A 19 -6.450 0.300 11.957 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.628 -0.694 10.517 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.138 0.805 13.021 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.702 1.153 12.311 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.165 -0.626 13.750 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.031 -1.411 12.189 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.506 -1.225 13.786 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.748 -2.282 14.426 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.078 -2.613 11.544 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.894 -3.923 14.853 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.228 -5.461 14.294 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.322 -4.634 10.898 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.915 -5.856 12.107 1.00 0.00 H new ATOM 209 N ILE A 20 -8.225 2.591 10.274 1.00 0.00 N ATOM 210 CA ILE A 20 -8.575 3.811 9.524 1.00 0.00 C ATOM 211 C ILE A 20 -8.475 3.571 8.004 1.00 0.00 C ATOM 212 O ILE A 20 -9.495 3.691 7.324 1.00 0.00 O ATOM 213 CB ILE A 20 -7.735 5.021 10.004 1.00 0.00 C ATOM 214 CG1 ILE A 20 -8.025 5.301 11.494 1.00 0.00 C ATOM 215 CG2 ILE A 20 -8.035 6.291 9.184 1.00 0.00 C ATOM 216 CD1 ILE A 20 -6.945 6.141 12.194 1.00 0.00 C ATOM 0 H ILE A 20 -7.492 2.739 10.967 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.616 4.060 9.730 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.685 4.766 9.864 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.982 5.816 11.577 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.128 4.351 12.018 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.425 7.115 9.553 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.803 6.110 8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.090 6.547 9.283 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.222 6.294 13.237 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.989 5.619 12.145 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.856 7.107 11.697 1.00 0.00 H new ATOM 218 N VAL A 21 -7.345 3.031 7.534 1.00 0.00 N ATOM 219 CA VAL A 21 -7.135 2.751 6.094 1.00 0.00 C ATOM 220 C VAL A 21 -8.235 1.821 5.554 1.00 0.00 C ATOM 221 O VAL A 21 -8.885 2.161 4.564 1.00 0.00 O ATOM 222 CB VAL A 21 -5.755 2.101 5.804 1.00 0.00 C ATOM 223 CG1 VAL A 21 -5.455 2.161 4.304 1.00 0.00 C ATOM 224 CG2 VAL A 21 -4.585 2.761 6.534 1.00 0.00 C ATOM 0 H VAL A 21 -6.555 2.776 8.126 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.172 3.717 5.591 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.838 1.077 6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.485 1.703 4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.228 1.622 3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.438 3.201 3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.659 2.247 6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.514 3.807 6.236 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.747 2.700 7.610 1.00 0.00 H new ATOM 226 N ARG A 22 -8.495 0.731 6.274 1.00 0.00 N ATOM 227 CA ARG A 22 -9.545 -0.249 5.914 1.00 0.00 C ATOM 228 C ARG A 22 -10.925 0.441 5.784 1.00 0.00 C ATOM 229 O ARG A 22 -11.555 0.351 4.724 1.00 0.00 O ATOM 230 CB ARG A 22 -9.585 -1.339 6.994 1.00 0.00 C ATOM 231 CG ARG A 22 -10.625 -2.419 6.674 1.00 0.00 C ATOM 232 CD ARG A 22 -11.215 -3.009 7.944 1.00 0.00 C ATOM 233 NE ARG A 22 -12.365 -3.849 7.594 1.00 0.00 N ATOM 234 CZ ARG A 22 -13.145 -4.509 8.444 1.00 0.00 C ATOM 235 NH1 ARG A 22 -12.945 -4.479 9.754 1.00 0.00 N ATOM 236 NH2 ARG A 22 -14.155 -5.249 7.984 1.00 0.00 N ATOM 0 H ARG A 22 -7.988 0.493 7.127 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.312 -0.694 4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.600 -1.798 7.084 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.815 -0.887 7.959 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.421 -1.991 6.065 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.162 -3.210 6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.464 -3.600 8.468 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.524 -2.212 8.621 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.588 -3.935 6.602 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.172 -3.937 10.140 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.564 -4.998 10.376 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.328 -5.308 6.981 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.754 -5.756 8.636 1.00 0.00 H new ATOM 243 N ASN A 23 -11.295 1.211 6.804 1.00 0.00 N ATOM 244 CA ASN A 23 -12.575 1.961 6.864 1.00 0.00 C ATOM 245 C ASN A 23 -12.725 2.891 5.634 1.00 0.00 C ATOM 246 O ASN A 23 -13.735 2.821 4.924 1.00 0.00 O ATOM 247 CB ASN A 23 -12.655 2.791 8.154 1.00 0.00 C ATOM 248 CG ASN A 23 -12.485 1.981 9.454 1.00 0.00 C ATOM 249 OD1 ASN A 23 -11.865 2.411 10.414 1.00 0.00 O ATOM 250 ND2 ASN A 23 -13.005 0.771 9.504 1.00 0.00 N ATOM 0 H ASN A 23 -10.714 1.342 7.632 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.389 1.236 6.858 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.887 3.564 8.121 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.618 3.300 8.183 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -12.888 0.200 10.341 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.524 0.406 8.706 1.00 0.00 H new ATOM 254 N LEU A 24 -11.625 3.561 5.304 1.00 0.00 N ATOM 255 CA LEU A 24 -11.525 4.471 4.144 1.00 0.00 C ATOM 256 C LEU A 24 -11.805 3.741 2.824 1.00 0.00 C ATOM 257 O LEU A 24 -12.695 4.131 2.074 1.00 0.00 O ATOM 258 CB LEU A 24 -10.125 5.091 4.124 1.00 0.00 C ATOM 259 CG LEU A 24 -9.875 6.051 5.284 1.00 0.00 C ATOM 260 CD1 LEU A 24 -8.475 6.661 5.184 1.00 0.00 C ATOM 261 CD2 LEU A 24 -10.895 7.191 5.414 1.00 0.00 C ATOM 0 H LEU A 24 -10.758 3.493 5.837 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.279 5.251 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.382 4.294 4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.984 5.624 3.183 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.979 5.434 6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.315 7.343 6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.729 5.867 5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.383 7.209 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.633 7.818 6.266 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.887 7.792 4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.890 6.773 5.564 1.00 0.00 H new ATOM 263 N LEU A 25 -11.105 2.631 2.614 1.00 0.00 N ATOM 264 CA LEU A 25 -11.255 1.781 1.414 1.00 0.00 C ATOM 265 C LEU A 25 -12.695 1.281 1.214 1.00 0.00 C ATOM 266 O LEU A 25 -13.275 1.461 0.144 1.00 0.00 O ATOM 267 CB LEU A 25 -10.295 0.581 1.434 1.00 0.00 C ATOM 268 CG LEU A 25 -8.865 1.091 1.354 1.00 0.00 C ATOM 269 CD1 LEU A 25 -7.865 -0.019 1.664 1.00 0.00 C ATOM 270 CD2 LEU A 25 -8.525 1.701 -0.016 1.00 0.00 C ATOM 0 H LEU A 25 -10.408 2.283 3.272 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.000 2.425 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.437 -0.000 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.505 -0.084 0.596 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.789 1.878 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.851 0.376 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.043 -0.398 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.986 -0.829 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.492 2.048 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.653 0.946 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.189 2.542 -0.215 1.00 0.00 H new ATOM 272 N LYS A 26 -13.285 0.861 2.334 1.00 0.00 N ATOM 273 CA LYS A 26 -14.695 0.401 2.404 1.00 0.00 C ATOM 274 C LYS A 26 -15.645 1.511 1.924 1.00 0.00 C ATOM 275 O LYS A 26 -16.355 1.341 0.934 1.00 0.00 O ATOM 276 CB LYS A 26 -15.065 0.021 3.844 1.00 0.00 C ATOM 277 CG LYS A 26 -14.385 -1.249 4.374 1.00 0.00 C ATOM 278 CD LYS A 26 -15.015 -2.519 3.804 1.00 0.00 C ATOM 279 CE LYS A 26 -14.395 -3.759 4.444 1.00 0.00 C ATOM 280 NZ LYS A 26 -15.075 -4.959 3.944 1.00 0.00 N ATOM 0 H LYS A 26 -12.803 0.826 3.232 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.796 -0.472 1.759 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.810 0.853 4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.145 -0.112 3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.325 -1.225 4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.452 -1.268 5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.090 -2.510 3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.871 -2.550 2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.331 -3.808 4.212 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.483 -3.704 5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.867 -5.762 4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.101 -4.793 3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.739 -5.173 2.983 1.00 0.00 H new ATOM 285 N GLU A 27 -15.425 2.711 2.474 1.00 0.00 N ATOM 286 CA GLU A 27 -16.165 3.951 2.164 1.00 0.00 C ATOM 287 C GLU A 27 -16.045 4.371 0.684 1.00 0.00 C ATOM 288 O GLU A 27 -16.955 5.001 0.144 1.00 0.00 O ATOM 289 CB GLU A 27 -15.575 5.051 3.054 1.00 0.00 C ATOM 290 CG GLU A 27 -16.045 4.971 4.504 1.00 0.00 C ATOM 291 CD GLU A 27 -15.305 5.991 5.364 1.00 0.00 C ATOM 292 OE1 GLU A 27 -15.765 7.161 5.384 1.00 0.00 O ATOM 293 OE2 GLU A 27 -14.325 5.581 6.024 1.00 0.00 O ATOM 0 H GLU A 27 -14.699 2.856 3.176 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.226 3.786 2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.487 4.986 3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.846 6.024 2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.118 5.154 4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.874 3.967 4.893 1.00 0.00 H new ATOM 295 N LEU A 28 -14.885 4.101 0.094 1.00 0.00 N ATOM 296 CA LEU A 28 -14.585 4.381 -1.326 1.00 0.00 C ATOM 297 C LEU A 28 -15.225 3.391 -2.316 1.00 0.00 C ATOM 298 O LEU A 28 -15.145 3.571 -3.526 1.00 0.00 O ATOM 299 CB LEU A 28 -13.065 4.411 -1.546 1.00 0.00 C ATOM 300 CG LEU A 28 -12.355 5.551 -0.806 1.00 0.00 C ATOM 301 CD1 LEU A 28 -10.845 5.371 -0.886 1.00 0.00 C ATOM 302 CD2 LEU A 28 -12.775 6.931 -1.336 1.00 0.00 C ATOM 0 H LEU A 28 -14.104 3.672 0.591 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.029 5.354 -1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.641 3.460 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.863 4.502 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.658 5.508 0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.353 6.187 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.567 4.422 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.533 5.375 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.248 7.709 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.526 7.005 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.850 7.059 -1.206 1.00 0.00 H new ATOM 304 N GLY A 29 -15.715 2.271 -1.786 1.00 0.00 N ATOM 305 CA GLY A 29 -16.365 1.191 -2.566 1.00 0.00 C ATOM 306 C GLY A 29 -15.555 -0.119 -2.606 1.00 0.00 C ATOM 307 O GLY A 29 -16.125 -1.189 -2.836 1.00 0.00 O ATOM 0 H GLY A 29 -15.676 2.075 -0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.347 0.987 -2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.527 1.539 -3.586 1.00 0.00 H new ATOM 309 N PHE A 30 -14.285 -0.039 -2.216 1.00 0.00 N ATOM 310 CA PHE A 30 -13.355 -1.179 -2.206 1.00 0.00 C ATOM 311 C PHE A 30 -13.535 -2.059 -0.956 1.00 0.00 C ATOM 312 O PHE A 30 -12.745 -2.029 -0.006 1.00 0.00 O ATOM 313 CB PHE A 30 -11.915 -0.679 -2.356 1.00 0.00 C ATOM 314 CG PHE A 30 -11.695 0.201 -3.596 1.00 0.00 C ATOM 315 CD1 PHE A 30 -11.895 -0.329 -4.886 1.00 0.00 C ATOM 316 CD2 PHE A 30 -11.375 1.571 -3.406 1.00 0.00 C ATOM 317 CE1 PHE A 30 -11.815 0.511 -6.006 1.00 0.00 C ATOM 318 CE2 PHE A 30 -11.265 2.411 -4.536 1.00 0.00 C ATOM 319 CZ PHE A 30 -11.485 1.881 -5.826 1.00 0.00 C ATOM 0 H PHE A 30 -13.861 0.830 -1.892 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.585 -1.817 -3.059 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.641 -0.113 -1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.245 -1.537 -2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.109 -1.380 -5.012 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.218 1.965 -2.413 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.002 0.120 -6.995 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.014 3.454 -4.414 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.401 2.526 -6.688 1.00 0.00 H new ATOM 321 N ASN A 31 -14.485 -2.969 -1.096 1.00 0.00 N ATOM 322 CA ASN A 31 -14.875 -3.919 -0.036 1.00 0.00 C ATOM 323 C ASN A 31 -13.995 -5.169 0.124 1.00 0.00 C ATOM 324 O ASN A 31 -14.295 -6.079 0.904 1.00 0.00 O ATOM 325 CB ASN A 31 -16.355 -4.279 -0.216 1.00 0.00 C ATOM 326 CG ASN A 31 -17.275 -3.169 0.334 1.00 0.00 C ATOM 327 OD1 ASN A 31 -17.945 -3.329 1.334 1.00 0.00 O ATOM 328 ND2 ASN A 31 -17.345 -2.039 -0.336 1.00 0.00 N ATOM 0 H ASN A 31 -15.022 -3.080 -1.956 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.710 -3.398 0.907 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.566 -4.438 -1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.568 -5.217 0.296 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -17.964 -1.294 -0.016 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.781 -1.908 -1.176 1.00 0.00 H new ATOM 332 N ASN A 32 -12.825 -5.139 -0.506 1.00 0.00 N ATOM 333 CA ASN A 32 -11.835 -6.239 -0.456 1.00 0.00 C ATOM 334 C ASN A 32 -10.495 -5.739 0.094 1.00 0.00 C ATOM 335 O ASN A 32 -9.595 -5.289 -0.616 1.00 0.00 O ATOM 336 CB ASN A 32 -11.665 -6.879 -1.836 1.00 0.00 C ATOM 337 CG ASN A 32 -12.935 -7.509 -2.406 1.00 0.00 C ATOM 338 OD1 ASN A 32 -13.225 -7.399 -3.586 1.00 0.00 O ATOM 339 ND2 ASN A 32 -13.745 -8.129 -1.576 1.00 0.00 N ATOM 0 H ASN A 32 -12.523 -4.348 -1.075 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.208 -7.006 0.223 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.308 -6.120 -2.532 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.892 -7.645 -1.774 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.622 -8.522 -1.917 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.496 -8.217 -0.591 1.00 0.00 H new ATOM 343 N VAL A 33 -10.425 -5.759 1.414 1.00 0.00 N ATOM 344 CA VAL A 33 -9.245 -5.299 2.154 1.00 0.00 C ATOM 345 C VAL A 33 -8.895 -6.259 3.304 1.00 0.00 C ATOM 346 O VAL A 33 -9.775 -6.709 4.044 1.00 0.00 O ATOM 347 CB VAL A 33 -9.445 -3.829 2.554 1.00 0.00 C ATOM 348 CG1 VAL A 33 -10.755 -3.519 3.294 1.00 0.00 C ATOM 349 CG2 VAL A 33 -8.245 -3.269 3.334 1.00 0.00 C ATOM 0 H VAL A 33 -11.182 -6.094 2.011 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.357 -5.323 1.522 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.522 -3.316 1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.797 -2.456 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.602 -3.784 2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.797 -4.097 4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.434 -2.228 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.100 -3.850 4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.349 -3.332 2.717 1.00 0.00 H new ATOM 351 N GLU A 34 -7.635 -6.669 3.304 1.00 0.00 N ATOM 352 CA GLU A 34 -7.065 -7.579 4.314 1.00 0.00 C ATOM 353 C GLU A 34 -5.935 -6.809 4.994 1.00 0.00 C ATOM 354 O GLU A 34 -5.355 -5.869 4.434 1.00 0.00 O ATOM 355 CB GLU A 34 -6.555 -8.859 3.654 1.00 0.00 C ATOM 356 CG GLU A 34 -7.655 -9.769 3.084 1.00 0.00 C ATOM 357 CD GLU A 34 -8.375 -9.229 1.844 1.00 0.00 C ATOM 358 OE1 GLU A 34 -7.705 -8.669 0.954 1.00 0.00 O ATOM 359 OE2 GLU A 34 -9.615 -9.409 1.784 1.00 0.00 O ATOM 0 H GLU A 34 -6.961 -6.380 2.595 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.812 -7.888 5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.872 -8.589 2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.978 -9.424 4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.213 -10.734 2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.395 -9.949 3.864 1.00 0.00 H new ATOM 361 N GLU A 35 -5.635 -7.209 6.224 1.00 0.00 N ATOM 362 CA GLU A 35 -4.605 -6.509 7.014 1.00 0.00 C ATOM 363 C GLU A 35 -3.485 -7.329 7.634 1.00 0.00 C ATOM 364 O GLU A 35 -3.655 -8.489 8.014 1.00 0.00 O ATOM 365 CB GLU A 35 -5.315 -5.669 8.094 1.00 0.00 C ATOM 366 CG GLU A 35 -6.205 -4.569 7.494 1.00 0.00 C ATOM 367 CD GLU A 35 -7.215 -4.009 8.494 1.00 0.00 C ATOM 368 OE1 GLU A 35 -8.145 -4.769 8.834 1.00 0.00 O ATOM 369 OE2 GLU A 35 -7.005 -2.869 8.954 1.00 0.00 O ATOM 0 H GLU A 35 -6.075 -7.998 6.697 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.065 -5.909 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.923 -6.324 8.717 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.568 -5.213 8.744 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.575 -3.758 7.129 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.739 -4.970 6.633 1.00 0.00 H new ATOM 371 N ALA A 36 -2.315 -6.699 7.534 1.00 0.00 N ATOM 372 CA ALA A 36 -1.025 -7.159 8.064 1.00 0.00 C ATOM 373 C ALA A 36 -0.375 -6.039 8.894 1.00 0.00 C ATOM 374 O ALA A 36 -0.745 -4.869 8.784 1.00 0.00 O ATOM 375 CB ALA A 36 -0.105 -7.529 6.894 1.00 0.00 C ATOM 0 H ALA A 36 -2.234 -5.803 7.054 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.182 -8.030 8.700 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.855 -7.872 7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.565 -8.324 6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.049 -6.655 6.262 1.00 0.00 H new ATOM 377 N GLU A 37 0.665 -6.389 9.654 1.00 0.00 N ATOM 378 CA GLU A 37 1.345 -5.399 10.514 1.00 0.00 C ATOM 379 C GLU A 37 2.705 -4.889 10.014 1.00 0.00 C ATOM 380 O GLU A 37 2.925 -3.679 9.904 1.00 0.00 O ATOM 381 CB GLU A 37 1.515 -5.909 11.954 1.00 0.00 C ATOM 382 CG GLU A 37 0.195 -6.039 12.714 1.00 0.00 C ATOM 383 CD GLU A 37 0.395 -6.309 14.214 1.00 0.00 C ATOM 384 OE1 GLU A 37 1.465 -6.849 14.594 1.00 0.00 O ATOM 385 OE2 GLU A 37 -0.535 -5.969 14.974 1.00 0.00 O ATOM 0 H GLU A 37 1.054 -7.331 9.697 1.00 0.00 H new ATOM 0 HA GLU A 37 0.665 -4.548 10.477 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.009 -6.880 11.931 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.172 -5.230 12.497 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.383 -5.123 12.588 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.391 -6.848 12.279 1.00 0.00 H new ATOM 387 N ASP A 38 3.615 -5.819 9.724 1.00 0.00 N ATOM 388 CA ASP A 38 4.985 -5.499 9.294 1.00 0.00 C ATOM 389 C ASP A 38 5.315 -6.179 7.954 1.00 0.00 C ATOM 390 O ASP A 38 4.685 -7.189 7.624 1.00 0.00 O ATOM 391 CB ASP A 38 5.975 -5.889 10.404 1.00 0.00 C ATOM 392 CG ASP A 38 6.105 -7.399 10.584 1.00 0.00 C ATOM 393 OD1 ASP A 38 5.165 -7.989 11.164 1.00 0.00 O ATOM 394 OD2 ASP A 38 7.005 -7.959 9.914 1.00 0.00 O ATOM 0 H ASP A 38 3.427 -6.820 9.779 1.00 0.00 H new ATOM 0 HA ASP A 38 5.071 -4.425 9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.955 -5.471 10.173 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.652 -5.443 11.345 1.00 0.00 H new ATOM 396 N GLY A 39 6.465 -5.799 7.404 1.00 0.00 N ATOM 397 CA GLY A 39 6.995 -6.299 6.124 1.00 0.00 C ATOM 398 C GLY A 39 6.925 -7.819 5.924 1.00 0.00 C ATOM 399 O GLY A 39 6.255 -8.299 5.014 1.00 0.00 O ATOM 0 H GLY A 39 7.078 -5.113 7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.448 -5.819 5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.036 -5.987 6.036 1.00 0.00 H new ATOM 401 N VAL A 40 7.475 -8.559 6.884 1.00 0.00 N ATOM 402 CA VAL A 40 7.505 -10.039 6.864 1.00 0.00 C ATOM 403 C VAL A 40 6.075 -10.629 6.784 1.00 0.00 C ATOM 404 O VAL A 40 5.755 -11.319 5.814 1.00 0.00 O ATOM 405 CB VAL A 40 8.255 -10.589 8.094 1.00 0.00 C ATOM 406 CG1 VAL A 40 8.355 -12.119 8.024 1.00 0.00 C ATOM 407 CG2 VAL A 40 9.665 -10.009 8.224 1.00 0.00 C ATOM 0 H VAL A 40 7.919 -8.155 7.709 1.00 0.00 H new ATOM 0 HA VAL A 40 8.044 -10.348 5.968 1.00 0.00 H new ATOM 0 HB VAL A 40 7.678 -10.288 8.968 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.887 -12.489 8.900 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.353 -12.548 8.000 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.895 -12.407 7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.151 -10.428 9.105 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.245 -10.260 7.336 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.605 -8.925 8.323 1.00 0.00 H new ATOM 409 N ASP A 41 5.225 -10.229 7.734 1.00 0.00 N ATOM 410 CA ASP A 41 3.825 -10.669 7.844 1.00 0.00 C ATOM 411 C ASP A 41 3.055 -10.419 6.534 1.00 0.00 C ATOM 412 O ASP A 41 2.345 -11.289 6.024 1.00 0.00 O ATOM 413 CB ASP A 41 3.235 -9.869 9.014 1.00 0.00 C ATOM 414 CG ASP A 41 1.785 -10.189 9.384 1.00 0.00 C ATOM 415 OD1 ASP A 41 1.435 -11.389 9.404 1.00 0.00 O ATOM 416 OD2 ASP A 41 1.085 -9.199 9.684 1.00 0.00 O ATOM 0 H ASP A 41 5.495 -9.574 8.468 1.00 0.00 H new ATOM 0 HA ASP A 41 3.752 -11.742 8.022 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.858 -10.036 9.893 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.302 -8.808 8.773 1.00 0.00 H new ATOM 418 N ALA A 42 3.315 -9.249 5.944 1.00 0.00 N ATOM 419 CA ALA A 42 2.725 -8.809 4.674 1.00 0.00 C ATOM 420 C ALA A 42 3.125 -9.719 3.504 1.00 0.00 C ATOM 421 O ALA A 42 2.255 -10.269 2.844 1.00 0.00 O ATOM 422 CB ALA A 42 3.195 -7.389 4.404 1.00 0.00 C ATOM 0 H ALA A 42 3.956 -8.564 6.345 1.00 0.00 H new ATOM 0 HA ALA A 42 1.639 -8.856 4.757 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.770 -7.038 3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.870 -6.738 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.283 -7.372 4.339 1.00 0.00 H new ATOM 424 N LEU A 43 4.435 -9.979 3.394 1.00 0.00 N ATOM 425 CA LEU A 43 5.005 -10.859 2.344 1.00 0.00 C ATOM 426 C LEU A 43 4.285 -12.219 2.324 1.00 0.00 C ATOM 427 O LEU A 43 3.555 -12.469 1.374 1.00 0.00 O ATOM 428 CB LEU A 43 6.515 -11.079 2.504 1.00 0.00 C ATOM 429 CG LEU A 43 7.355 -9.969 1.864 1.00 0.00 C ATOM 430 CD1 LEU A 43 8.825 -10.139 2.244 1.00 0.00 C ATOM 431 CD2 LEU A 43 7.235 -9.949 0.334 1.00 0.00 C ATOM 0 H LEU A 43 5.135 -9.590 4.025 1.00 0.00 H new ATOM 0 HA LEU A 43 4.848 -10.344 1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.756 -11.143 3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.786 -12.035 2.057 1.00 0.00 H new ATOM 0 HG LEU A 43 6.969 -9.023 2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.414 -9.345 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.929 -10.087 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.182 -11.107 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.850 -9.144 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.575 -10.902 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.195 -9.786 0.053 1.00 0.00 H new ATOM 433 N ASN A 44 4.245 -12.859 3.494 1.00 0.00 N ATOM 434 CA ASN A 44 3.585 -14.169 3.694 1.00 0.00 C ATOM 435 C ASN A 44 2.135 -14.179 3.184 1.00 0.00 C ATOM 436 O ASN A 44 1.785 -14.959 2.294 1.00 0.00 O ATOM 437 CB ASN A 44 3.625 -14.509 5.184 1.00 0.00 C ATOM 438 CG ASN A 44 5.035 -14.779 5.744 1.00 0.00 C ATOM 439 OD1 ASN A 44 5.295 -14.649 6.924 1.00 0.00 O ATOM 440 ND2 ASN A 44 6.005 -15.109 4.904 1.00 0.00 N ATOM 0 H ASN A 44 4.671 -12.487 4.343 1.00 0.00 H new ATOM 0 HA ASN A 44 4.124 -14.918 3.114 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.178 -13.687 5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.005 -15.388 5.359 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.954 -15.250 5.251 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.803 -15.222 3.911 1.00 0.00 H new ATOM 444 N LYS A 45 1.385 -13.189 3.654 1.00 0.00 N ATOM 445 CA LYS A 45 -0.025 -12.949 3.284 1.00 0.00 C ATOM 446 C LYS A 45 -0.215 -12.749 1.764 1.00 0.00 C ATOM 447 O LYS A 45 -0.895 -13.539 1.114 1.00 0.00 O ATOM 448 CB LYS A 45 -0.535 -11.749 4.084 1.00 0.00 C ATOM 449 CG LYS A 45 -0.905 -12.209 5.494 1.00 0.00 C ATOM 450 CD LYS A 45 -1.265 -11.019 6.384 1.00 0.00 C ATOM 451 CE LYS A 45 -1.635 -11.449 7.804 1.00 0.00 C ATOM 452 NZ LYS A 45 -2.955 -12.099 7.814 1.00 0.00 N ATOM 0 H LYS A 45 1.741 -12.506 4.323 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.611 -13.834 3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.231 -10.975 4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.403 -11.310 3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.747 -12.899 5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.070 -12.756 5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.422 -10.329 6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.100 -10.476 5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.882 -12.135 8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.645 -10.581 8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.238 -12.294 8.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.655 -11.471 7.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.906 -12.992 7.284 1.00 0.00 H new ATOM 457 N LEU A 46 0.565 -11.819 1.214 1.00 0.00 N ATOM 458 CA LEU A 46 0.565 -11.489 -0.226 1.00 0.00 C ATOM 459 C LEU A 46 0.925 -12.689 -1.136 1.00 0.00 C ATOM 460 O LEU A 46 0.285 -12.889 -2.176 1.00 0.00 O ATOM 461 CB LEU A 46 1.515 -10.319 -0.476 1.00 0.00 C ATOM 462 CG LEU A 46 0.925 -8.999 0.014 1.00 0.00 C ATOM 463 CD1 LEU A 46 2.025 -7.999 0.374 1.00 0.00 C ATOM 464 CD2 LEU A 46 -0.015 -8.409 -1.046 1.00 0.00 C ATOM 0 H LEU A 46 1.226 -11.262 1.756 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.455 -11.211 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.462 -10.505 0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.732 -10.247 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 46 0.351 -9.201 0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.573 -7.069 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.650 -8.414 1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.638 -7.800 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.428 -7.468 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.541 -8.230 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.827 -9.110 -1.243 1.00 0.00 H new ATOM 466 N GLN A 47 1.795 -13.559 -0.626 1.00 0.00 N ATOM 467 CA GLN A 47 2.275 -14.779 -1.306 1.00 0.00 C ATOM 468 C GLN A 47 1.185 -15.819 -1.626 1.00 0.00 C ATOM 469 O GLN A 47 1.335 -16.589 -2.566 1.00 0.00 O ATOM 470 CB GLN A 47 3.415 -15.429 -0.516 1.00 0.00 C ATOM 471 CG GLN A 47 4.655 -14.539 -0.536 1.00 0.00 C ATOM 472 CD GLN A 47 5.855 -15.109 0.224 1.00 0.00 C ATOM 473 OE1 GLN A 47 5.895 -15.239 1.444 1.00 0.00 O ATOM 474 NE2 GLN A 47 6.935 -15.279 -0.516 1.00 0.00 N ATOM 0 H GLN A 47 2.203 -13.438 0.301 1.00 0.00 H new ATOM 0 HA GLN A 47 2.638 -14.434 -2.274 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.100 -15.601 0.513 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.652 -16.403 -0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.946 -14.365 -1.572 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.398 -13.569 -0.110 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.882 -15.167 -1.528 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.822 -15.523 -0.075 1.00 0.00 H new ATOM 478 N ALA A 48 0.105 -15.809 -0.836 1.00 0.00 N ATOM 479 CA ALA A 48 -1.045 -16.719 -1.026 1.00 0.00 C ATOM 480 C ALA A 48 -1.805 -16.479 -2.356 1.00 0.00 C ATOM 481 O ALA A 48 -2.455 -17.389 -2.876 1.00 0.00 O ATOM 482 CB ALA A 48 -2.005 -16.569 0.154 1.00 0.00 C ATOM 0 H ALA A 48 -0.002 -15.173 -0.046 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.647 -17.733 -1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.855 -17.238 0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.487 -16.823 1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.359 -15.539 0.207 1.00 0.00 H new ATOM 484 N GLY A 49 -1.705 -15.249 -2.846 1.00 0.00 N ATOM 485 CA GLY A 49 -2.345 -14.789 -4.096 1.00 0.00 C ATOM 486 C GLY A 49 -3.565 -13.909 -3.786 1.00 0.00 C ATOM 487 O GLY A 49 -3.705 -13.379 -2.686 1.00 0.00 O ATOM 0 H GLY A 49 -1.166 -14.518 -2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.627 -14.227 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.652 -15.649 -4.692 1.00 0.00 H new ATOM 489 N GLY A 50 -4.345 -13.649 -4.836 1.00 0.00 N ATOM 490 CA GLY A 50 -5.585 -12.849 -4.766 1.00 0.00 C ATOM 491 C GLY A 50 -5.405 -11.319 -4.716 1.00 0.00 C ATOM 492 O GLY A 50 -6.155 -10.589 -5.346 1.00 0.00 O ATOM 0 H GLY A 50 -4.137 -13.989 -5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.200 -13.094 -5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.143 -13.158 -3.882 1.00 0.00 H new ATOM 494 N TYR A 51 -4.425 -10.859 -3.936 1.00 0.00 N ATOM 495 CA TYR A 51 -4.125 -9.419 -3.776 1.00 0.00 C ATOM 496 C TYR A 51 -3.595 -8.769 -5.056 1.00 0.00 C ATOM 497 O TYR A 51 -2.655 -9.269 -5.676 1.00 0.00 O ATOM 498 CB TYR A 51 -3.095 -9.179 -2.666 1.00 0.00 C ATOM 499 CG TYR A 51 -3.505 -9.769 -1.316 1.00 0.00 C ATOM 500 CD1 TYR A 51 -4.345 -9.039 -0.456 1.00 0.00 C ATOM 501 CD2 TYR A 51 -2.985 -11.029 -0.966 1.00 0.00 C ATOM 502 CE1 TYR A 51 -4.675 -9.599 0.794 1.00 0.00 C ATOM 503 CE2 TYR A 51 -3.325 -11.589 0.274 1.00 0.00 C ATOM 504 CZ TYR A 51 -4.165 -10.859 1.144 1.00 0.00 C ATOM 505 OH TYR A 51 -4.445 -11.389 2.364 1.00 0.00 O ATOM 0 H TYR A 51 -3.812 -11.468 -3.394 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.079 -8.960 -3.518 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.140 -9.610 -2.967 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.938 -8.106 -2.552 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.728 -8.072 -0.747 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.332 -11.558 -1.644 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.316 -9.063 1.478 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.951 -12.561 0.559 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.016 -12.267 2.446 1.00 0.00 H new ATOM 508 N GLY A 52 -4.145 -7.589 -5.326 1.00 0.00 N ATOM 509 CA GLY A 52 -3.785 -6.759 -6.496 1.00 0.00 C ATOM 510 C GLY A 52 -3.325 -5.339 -6.126 1.00 0.00 C ATOM 511 O GLY A 52 -3.385 -4.449 -6.966 1.00 0.00 O ATOM 0 H GLY A 52 -4.864 -7.167 -4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.990 -7.256 -7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.646 -6.691 -7.161 1.00 0.00 H new ATOM 513 N PHE A 53 -2.915 -5.159 -4.866 1.00 0.00 N ATOM 514 CA PHE A 53 -2.445 -3.869 -4.306 1.00 0.00 C ATOM 515 C PHE A 53 -1.915 -4.029 -2.876 1.00 0.00 C ATOM 516 O PHE A 53 -2.485 -4.749 -2.046 1.00 0.00 O ATOM 517 CB PHE A 53 -3.615 -2.889 -4.246 1.00 0.00 C ATOM 518 CG PHE A 53 -3.235 -1.429 -4.526 1.00 0.00 C ATOM 519 CD1 PHE A 53 -2.505 -0.689 -3.576 1.00 0.00 C ATOM 520 CD2 PHE A 53 -3.805 -0.809 -5.656 1.00 0.00 C ATOM 521 CE1 PHE A 53 -2.345 0.701 -3.746 1.00 0.00 C ATOM 522 CE2 PHE A 53 -3.645 0.581 -5.826 1.00 0.00 C ATOM 523 CZ PHE A 53 -2.925 1.321 -4.866 1.00 0.00 C ATOM 0 H PHE A 53 -2.897 -5.918 -4.185 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.644 -3.508 -4.951 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.370 -3.200 -4.968 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.073 -2.949 -3.259 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.070 -1.184 -2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.356 -1.390 -6.381 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.785 1.281 -3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.071 1.076 -6.686 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.817 2.388 -4.994 1.00 0.00 H new ATOM 525 N VAL A 54 -0.875 -3.249 -2.596 1.00 0.00 N ATOM 526 CA VAL A 54 -0.205 -3.219 -1.276 1.00 0.00 C ATOM 527 C VAL A 54 -0.175 -1.769 -0.766 1.00 0.00 C ATOM 528 O VAL A 54 0.325 -0.869 -1.426 1.00 0.00 O ATOM 529 CB VAL A 54 1.245 -3.739 -1.346 1.00 0.00 C ATOM 530 CG1 VAL A 54 1.835 -3.919 0.064 1.00 0.00 C ATOM 531 CG2 VAL A 54 1.365 -5.079 -2.076 1.00 0.00 C ATOM 0 H VAL A 54 -0.462 -2.611 -3.276 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.767 -3.868 -0.605 1.00 0.00 H new ATOM 0 HB VAL A 54 1.797 -2.983 -1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.858 -4.287 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.832 -2.961 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.233 -4.637 0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.409 -5.392 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.769 -5.830 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.003 -4.970 -3.098 1.00 0.00 H new ATOM 533 N ILE A 55 -0.715 -1.589 0.434 1.00 0.00 N ATOM 534 CA ILE A 55 -0.745 -0.289 1.134 1.00 0.00 C ATOM 535 C ILE A 55 0.115 -0.499 2.394 1.00 0.00 C ATOM 536 O ILE A 55 -0.315 -1.149 3.344 1.00 0.00 O ATOM 537 CB ILE A 55 -2.205 0.151 1.394 1.00 0.00 C ATOM 538 CG1 ILE A 55 -2.925 0.451 0.074 1.00 0.00 C ATOM 539 CG2 ILE A 55 -2.235 1.371 2.344 1.00 0.00 C ATOM 540 CD1 ILE A 55 -4.435 0.701 0.204 1.00 0.00 C ATOM 0 H ILE A 55 -1.152 -2.344 0.963 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.333 0.538 0.556 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.737 -0.668 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.464 1.327 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.767 -0.385 -0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.268 1.671 2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.769 1.105 3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.689 2.198 1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.856 0.904 -0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.915 -0.181 0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.607 1.557 0.856 1.00 0.00 H new ATOM 542 N SER A 56 1.365 -0.039 2.334 1.00 0.00 N ATOM 543 CA SER A 56 2.335 -0.229 3.444 1.00 0.00 C ATOM 544 C SER A 56 2.865 1.021 4.144 1.00 0.00 C ATOM 545 O SER A 56 3.335 1.971 3.514 1.00 0.00 O ATOM 546 CB SER A 56 3.535 -1.079 3.004 1.00 0.00 C ATOM 547 OG SER A 56 4.435 -1.209 4.114 1.00 0.00 O ATOM 0 H SER A 56 1.742 0.469 1.534 1.00 0.00 H new ATOM 0 HA SER A 56 1.720 -0.736 4.187 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.201 -2.062 2.671 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.041 -0.611 2.159 1.00 0.00 H new ATOM 0 HG SER A 56 3.921 -1.305 4.943 1.00 0.00 H new ATOM 550 N ASP A 57 2.925 0.901 5.474 1.00 0.00 N ATOM 551 CA ASP A 57 3.445 1.921 6.394 1.00 0.00 C ATOM 552 C ASP A 57 4.985 1.921 6.374 1.00 0.00 C ATOM 553 O ASP A 57 5.635 0.901 6.604 1.00 0.00 O ATOM 554 CB ASP A 57 2.905 1.621 7.804 1.00 0.00 C ATOM 555 CG ASP A 57 3.145 2.701 8.864 1.00 0.00 C ATOM 556 OD1 ASP A 57 4.195 3.371 8.794 1.00 0.00 O ATOM 557 OD2 ASP A 57 2.255 2.821 9.734 1.00 0.00 O ATOM 0 H ASP A 57 2.602 0.063 5.958 1.00 0.00 H new ATOM 0 HA ASP A 57 3.116 2.913 6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.832 1.446 7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.356 0.692 8.153 1.00 0.00 H new ATOM 559 N TRP A 58 5.555 3.111 6.194 1.00 0.00 N ATOM 560 CA TRP A 58 7.015 3.331 6.144 1.00 0.00 C ATOM 561 C TRP A 58 7.735 2.821 7.414 1.00 0.00 C ATOM 562 O TRP A 58 8.585 1.931 7.324 1.00 0.00 O ATOM 563 CB TRP A 58 7.285 4.821 5.884 1.00 0.00 C ATOM 564 CG TRP A 58 8.655 5.071 5.234 1.00 0.00 C ATOM 565 CD1 TRP A 58 9.845 5.091 5.824 1.00 0.00 C ATOM 566 CD2 TRP A 58 8.875 5.261 3.874 1.00 0.00 C ATOM 567 NE1 TRP A 58 10.805 5.281 4.924 1.00 0.00 N ATOM 568 CE2 TRP A 58 10.275 5.391 3.714 1.00 0.00 C ATOM 569 CE3 TRP A 58 8.015 5.291 2.754 1.00 0.00 C ATOM 570 CZ2 TRP A 58 10.835 5.541 2.424 1.00 0.00 C ATOM 571 CZ3 TRP A 58 8.585 5.411 1.474 1.00 0.00 C ATOM 572 CH2 TRP A 58 9.985 5.521 1.314 1.00 0.00 C ATOM 0 H TRP A 58 5.015 3.968 6.076 1.00 0.00 H new ATOM 0 HA TRP A 58 7.430 2.744 5.324 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.503 5.220 5.238 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.230 5.366 6.826 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.009 4.970 6.885 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.802 5.334 5.134 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.944 5.223 2.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.900 5.669 2.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.946 5.419 0.603 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.404 5.591 0.321 1.00 0.00 H new ATOM 575 N ASN A 59 7.235 3.221 8.574 1.00 0.00 N ATOM 576 CA ASN A 59 7.775 2.861 9.904 1.00 0.00 C ATOM 577 C ASN A 59 7.195 1.541 10.464 1.00 0.00 C ATOM 578 O ASN A 59 6.455 1.501 11.444 1.00 0.00 O ATOM 579 CB ASN A 59 7.595 4.051 10.864 1.00 0.00 C ATOM 580 CG ASN A 59 6.185 4.651 10.844 1.00 0.00 C ATOM 581 OD1 ASN A 59 5.815 5.401 9.944 1.00 0.00 O ATOM 582 ND2 ASN A 59 5.335 4.221 11.744 1.00 0.00 N ATOM 0 H ASN A 59 6.415 3.825 8.632 1.00 0.00 H new ATOM 0 HA ASN A 59 8.841 2.659 9.796 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.828 3.727 11.878 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.314 4.828 10.605 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.357 4.509 11.701 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.651 3.599 12.488 1.00 0.00 H new ATOM 586 N MET A 60 7.725 0.451 9.914 1.00 0.00 N ATOM 587 CA MET A 60 7.325 -0.929 10.264 1.00 0.00 C ATOM 588 C MET A 60 8.465 -1.769 10.874 1.00 0.00 C ATOM 589 O MET A 60 9.585 -1.729 10.364 1.00 0.00 O ATOM 590 CB MET A 60 6.735 -1.559 8.994 1.00 0.00 C ATOM 591 CG MET A 60 5.255 -1.209 8.874 1.00 0.00 C ATOM 592 SD MET A 60 4.355 -2.099 7.554 1.00 0.00 S ATOM 593 CE MET A 60 5.625 -2.599 6.404 1.00 0.00 C ATOM 0 H MET A 60 8.455 0.491 9.202 1.00 0.00 H new ATOM 0 HA MET A 60 6.580 -0.903 11.059 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.274 -1.200 8.117 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.859 -2.641 9.024 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.770 -1.417 9.828 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.164 -0.137 8.696 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.167 -3.096 5.549 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.173 -1.721 6.062 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.312 -3.286 6.897 1.00 0.00 H new ATOM 595 N PRO A 61 8.195 -2.479 11.984 1.00 0.00 N ATOM 596 CA PRO A 61 9.185 -3.329 12.684 1.00 0.00 C ATOM 597 C PRO A 61 9.705 -4.469 11.804 1.00 0.00 C ATOM 598 O PRO A 61 8.975 -4.989 10.954 1.00 0.00 O ATOM 599 CB PRO A 61 8.445 -3.909 13.894 1.00 0.00 C ATOM 600 CG PRO A 61 7.385 -2.859 14.184 1.00 0.00 C ATOM 601 CD PRO A 61 6.965 -2.389 12.794 1.00 0.00 C ATOM 0 HA PRO A 61 10.058 -2.739 12.961 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.001 -4.879 13.669 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.112 -4.054 14.744 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.545 -3.278 14.738 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.784 -2.040 14.782 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.174 -3.018 12.385 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.581 -1.369 12.819 1.00 0.00 H new ATOM 602 N ASN A 62 10.975 -4.799 12.044 1.00 0.00 N ATOM 603 CA ASN A 62 11.755 -5.859 11.364 1.00 0.00 C ATOM 604 C ASN A 62 12.055 -5.509 9.894 1.00 0.00 C ATOM 605 O ASN A 62 13.205 -5.259 9.534 1.00 0.00 O ATOM 606 CB ASN A 62 11.095 -7.249 11.464 1.00 0.00 C ATOM 607 CG ASN A 62 10.635 -7.589 12.884 1.00 0.00 C ATOM 608 OD1 ASN A 62 9.515 -7.309 13.294 1.00 0.00 O ATOM 609 ND2 ASN A 62 11.515 -8.169 13.674 1.00 0.00 N ATOM 0 H ASN A 62 11.525 -4.314 12.753 1.00 0.00 H new ATOM 0 HA ASN A 62 12.702 -5.911 11.901 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.239 -7.288 10.791 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.802 -8.007 11.125 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.267 -8.390 14.638 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.444 -8.397 13.321 1.00 0.00 H new ATOM 613 N MET A 63 10.995 -5.409 9.114 1.00 0.00 N ATOM 614 CA MET A 63 11.035 -5.069 7.684 1.00 0.00 C ATOM 615 C MET A 63 10.085 -3.879 7.454 1.00 0.00 C ATOM 616 O MET A 63 8.875 -3.989 7.644 1.00 0.00 O ATOM 617 CB MET A 63 10.635 -6.299 6.874 1.00 0.00 C ATOM 618 CG MET A 63 10.785 -6.099 5.364 1.00 0.00 C ATOM 619 SD MET A 63 10.305 -7.559 4.374 1.00 0.00 S ATOM 620 CE MET A 63 11.655 -8.659 4.724 1.00 0.00 C ATOM 0 H MET A 63 10.048 -5.565 9.459 1.00 0.00 H new ATOM 0 HA MET A 63 12.035 -4.777 7.361 1.00 0.00 H new ATOM 0 HB2 MET A 63 11.247 -7.146 7.185 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.600 -6.554 7.100 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.177 -5.248 5.058 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.822 -5.846 5.142 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.583 -9.538 4.084 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.599 -8.148 4.534 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.612 -8.966 5.769 1.00 0.00 H new ATOM 622 N ASP A 64 10.715 -2.719 7.284 1.00 0.00 N ATOM 623 CA ASP A 64 10.005 -1.439 7.044 1.00 0.00 C ATOM 624 C ASP A 64 9.335 -1.369 5.664 1.00 0.00 C ATOM 625 O ASP A 64 9.725 -2.109 4.754 1.00 0.00 O ATOM 626 CB ASP A 64 10.945 -0.249 7.294 1.00 0.00 C ATOM 627 CG ASP A 64 12.095 -0.119 6.294 1.00 0.00 C ATOM 628 OD1 ASP A 64 11.795 0.131 5.104 1.00 0.00 O ATOM 629 OD2 ASP A 64 13.255 -0.309 6.724 1.00 0.00 O ATOM 0 H ASP A 64 11.731 -2.627 7.306 1.00 0.00 H new ATOM 0 HA ASP A 64 9.187 -1.385 7.762 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.359 0.670 7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.363 -0.338 8.297 1.00 0.00 H new ATOM 631 N GLY A 65 8.485 -0.349 5.474 1.00 0.00 N ATOM 632 CA GLY A 65 7.725 -0.099 4.234 1.00 0.00 C ATOM 633 C GLY A 65 8.565 -0.159 2.954 1.00 0.00 C ATOM 634 O GLY A 65 8.335 -1.009 2.094 1.00 0.00 O ATOM 0 H GLY A 65 8.300 0.346 6.197 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.921 -0.831 4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.257 0.883 4.301 1.00 0.00 H new ATOM 636 N LEU A 66 9.635 0.631 2.924 1.00 0.00 N ATOM 637 CA LEU A 66 10.555 0.711 1.784 1.00 0.00 C ATOM 638 C LEU A 66 11.225 -0.649 1.454 1.00 0.00 C ATOM 639 O LEU A 66 11.245 -1.059 0.294 1.00 0.00 O ATOM 640 CB LEU A 66 11.555 1.841 2.074 1.00 0.00 C ATOM 641 CG LEU A 66 12.495 2.121 0.894 1.00 0.00 C ATOM 642 CD1 LEU A 66 11.775 2.531 -0.396 1.00 0.00 C ATOM 643 CD2 LEU A 66 13.465 3.251 1.244 1.00 0.00 C ATOM 0 H LEU A 66 9.894 1.243 3.698 1.00 0.00 H new ATOM 0 HA LEU A 66 10.004 0.948 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.007 2.751 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.148 1.579 2.951 1.00 0.00 H new ATOM 0 HG LEU A 66 13.009 1.177 0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.509 2.711 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.101 1.733 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.202 3.441 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.126 3.439 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.902 4.156 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.059 2.965 2.112 1.00 0.00 H new ATOM 645 N GLU A 67 11.635 -1.389 2.484 1.00 0.00 N ATOM 646 CA GLU A 67 12.225 -2.739 2.314 1.00 0.00 C ATOM 647 C GLU A 67 11.195 -3.729 1.754 1.00 0.00 C ATOM 648 O GLU A 67 11.485 -4.469 0.814 1.00 0.00 O ATOM 649 CB GLU A 67 12.755 -3.299 3.644 1.00 0.00 C ATOM 650 CG GLU A 67 13.985 -2.569 4.174 1.00 0.00 C ATOM 651 CD GLU A 67 14.365 -3.159 5.544 1.00 0.00 C ATOM 652 OE1 GLU A 67 13.525 -2.999 6.464 1.00 0.00 O ATOM 653 OE2 GLU A 67 15.435 -3.789 5.614 1.00 0.00 O ATOM 0 H GLU A 67 11.573 -1.084 3.455 1.00 0.00 H new ATOM 0 HA GLU A 67 13.052 -2.626 1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.963 -3.246 4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.999 -4.353 3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.815 -2.674 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.779 -1.503 4.267 1.00 0.00 H new ATOM 655 N LEU A 68 9.985 -3.669 2.304 1.00 0.00 N ATOM 656 CA LEU A 68 8.835 -4.499 1.874 1.00 0.00 C ATOM 657 C LEU A 68 8.515 -4.259 0.384 1.00 0.00 C ATOM 658 O LEU A 68 8.275 -5.189 -0.386 1.00 0.00 O ATOM 659 CB LEU A 68 7.635 -4.179 2.784 1.00 0.00 C ATOM 660 CG LEU A 68 6.335 -4.879 2.364 1.00 0.00 C ATOM 661 CD1 LEU A 68 6.445 -6.409 2.414 1.00 0.00 C ATOM 662 CD2 LEU A 68 5.185 -4.419 3.254 1.00 0.00 C ATOM 0 H LEU A 68 9.760 -3.037 3.073 1.00 0.00 H new ATOM 0 HA LEU A 68 9.077 -5.557 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.879 -4.469 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.471 -3.101 2.788 1.00 0.00 H new ATOM 0 HG LEU A 68 6.143 -4.600 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.498 -6.852 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.235 -6.739 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.681 -6.724 3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.266 -4.920 2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.407 -4.667 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.059 -3.341 3.157 1.00 0.00 H new ATOM 664 N LEU A 69 8.585 -2.999 -0.026 1.00 0.00 N ATOM 665 CA LEU A 69 8.385 -2.569 -1.426 1.00 0.00 C ATOM 666 C LEU A 69 9.355 -3.309 -2.366 1.00 0.00 C ATOM 667 O LEU A 69 8.905 -4.029 -3.266 1.00 0.00 O ATOM 668 CB LEU A 69 8.555 -1.049 -1.376 1.00 0.00 C ATOM 669 CG LEU A 69 8.845 -0.359 -2.706 1.00 0.00 C ATOM 670 CD1 LEU A 69 7.745 -0.579 -3.736 1.00 0.00 C ATOM 671 CD2 LEU A 69 9.035 1.141 -2.456 1.00 0.00 C ATOM 0 H LEU A 69 8.785 -2.225 0.607 1.00 0.00 H new ATOM 0 HA LEU A 69 7.407 -2.817 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.647 -0.616 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.366 -0.818 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 69 9.753 -0.799 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.005 -0.066 -4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.637 -1.646 -3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.804 -0.183 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.243 1.644 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.127 1.555 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.870 1.293 -1.773 1.00 0.00 H new ATOM 673 N LYS A 70 10.625 -3.379 -1.956 1.00 0.00 N ATOM 674 CA LYS A 70 11.695 -4.079 -2.696 1.00 0.00 C ATOM 675 C LYS A 70 11.435 -5.589 -2.796 1.00 0.00 C ATOM 676 O LYS A 70 11.545 -6.179 -3.866 1.00 0.00 O ATOM 677 CB LYS A 70 13.055 -3.879 -2.016 1.00 0.00 C ATOM 678 CG LYS A 70 13.515 -2.419 -1.926 1.00 0.00 C ATOM 679 CD LYS A 70 14.855 -2.359 -1.196 1.00 0.00 C ATOM 680 CE LYS A 70 15.375 -0.929 -1.016 1.00 0.00 C ATOM 681 NZ LYS A 70 15.695 -0.319 -2.316 1.00 0.00 N ATOM 0 H LYS A 70 10.949 -2.948 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 70 11.703 -3.647 -3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.008 -4.294 -1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.807 -4.450 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.612 -1.994 -2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.772 -1.823 -1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.751 -2.828 -0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.591 -2.940 -1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.625 -0.327 -0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.264 -0.938 -0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.140 0.609 -2.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.350 -0.936 -2.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.821 -0.198 -2.867 1.00 0.00 H new ATOM 686 N THR A 71 11.045 -6.189 -1.666 1.00 0.00 N ATOM 687 CA THR A 71 10.735 -7.639 -1.556 1.00 0.00 C ATOM 688 C THR A 71 9.585 -8.019 -2.506 1.00 0.00 C ATOM 689 O THR A 71 9.745 -8.979 -3.256 1.00 0.00 O ATOM 690 CB THR A 71 10.595 -8.109 -0.116 1.00 0.00 C ATOM 691 OG1 THR A 71 9.595 -7.389 0.594 1.00 0.00 O ATOM 692 CG2 THR A 71 11.935 -8.029 0.624 1.00 0.00 C ATOM 0 H THR A 71 10.931 -5.685 -0.786 1.00 0.00 H new ATOM 0 HA THR A 71 11.595 -8.211 -1.904 1.00 0.00 H new ATOM 0 HB THR A 71 10.279 -9.151 -0.159 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.239 -6.675 0.024 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.805 -8.371 1.651 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.667 -8.661 0.121 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.288 -6.998 0.627 1.00 0.00 H new ATOM 695 N ILE A 72 8.585 -7.149 -2.646 1.00 0.00 N ATOM 696 CA ILE A 72 7.445 -7.349 -3.576 1.00 0.00 C ATOM 697 C ILE A 72 7.945 -7.239 -5.036 1.00 0.00 C ATOM 698 O ILE A 72 7.955 -8.249 -5.736 1.00 0.00 O ATOM 699 CB ILE A 72 6.315 -6.339 -3.266 1.00 0.00 C ATOM 700 CG1 ILE A 72 5.775 -6.569 -1.846 1.00 0.00 C ATOM 701 CG2 ILE A 72 5.165 -6.419 -4.276 1.00 0.00 C ATOM 702 CD1 ILE A 72 5.145 -5.309 -1.246 1.00 0.00 C ATOM 0 H ILE A 72 8.531 -6.277 -2.120 1.00 0.00 H new ATOM 0 HA ILE A 72 7.026 -8.346 -3.440 1.00 0.00 H new ATOM 0 HB ILE A 72 6.748 -5.342 -3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.033 -7.367 -1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.587 -6.907 -1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.399 -5.690 -4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.543 -6.204 -5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.735 -7.420 -4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.780 -5.527 -0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.892 -4.517 -1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.314 -4.984 -1.872 1.00 0.00 H new ATOM 704 N ARG A 73 8.605 -6.109 -5.316 1.00 0.00 N ATOM 705 CA ARG A 73 9.195 -5.719 -6.626 1.00 0.00 C ATOM 706 C ARG A 73 10.145 -6.779 -7.236 1.00 0.00 C ATOM 707 O ARG A 73 10.375 -6.789 -8.446 1.00 0.00 O ATOM 708 CB ARG A 73 9.875 -4.359 -6.526 1.00 0.00 C ATOM 709 CG ARG A 73 8.965 -3.249 -7.066 1.00 0.00 C ATOM 710 CD ARG A 73 7.635 -3.119 -6.306 1.00 0.00 C ATOM 711 NE ARG A 73 6.745 -2.159 -6.966 1.00 0.00 N ATOM 712 CZ ARG A 73 5.615 -2.439 -7.616 1.00 0.00 C ATOM 713 NH1 ARG A 73 5.325 -3.669 -8.016 1.00 0.00 N ATOM 714 NH2 ARG A 73 4.885 -1.459 -8.116 1.00 0.00 N ATOM 0 H ARG A 73 8.756 -5.395 -4.603 1.00 0.00 H new ATOM 0 HA ARG A 73 8.359 -5.651 -7.322 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.130 -4.152 -5.487 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.809 -4.373 -7.087 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.497 -2.299 -7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.755 -3.442 -8.118 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.148 -4.092 -6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.827 -2.798 -5.282 1.00 0.00 H new ATOM 0 HE ARG A 73 7.018 -1.177 -6.924 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.975 -4.433 -7.828 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.452 -3.852 -8.511 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.186 -0.491 -8.005 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.020 -1.670 -8.614 1.00 0.00 H new ATOM 721 N ALA A 74 10.785 -7.569 -6.376 1.00 0.00 N ATOM 722 CA ALA A 74 11.725 -8.639 -6.776 1.00 0.00 C ATOM 723 C ALA A 74 11.215 -10.089 -6.656 1.00 0.00 C ATOM 724 O ALA A 74 11.775 -10.989 -7.276 1.00 0.00 O ATOM 725 CB ALA A 74 13.005 -8.469 -5.946 1.00 0.00 C ATOM 0 H ALA A 74 10.670 -7.491 -5.365 1.00 0.00 H new ATOM 0 HA ALA A 74 11.884 -8.511 -7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.721 -9.245 -6.218 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.440 -7.489 -6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.765 -8.552 -4.886 1.00 0.00 H new ATOM 727 N ASP A 75 10.085 -10.289 -5.966 1.00 0.00 N ATOM 728 CA ASP A 75 9.495 -11.619 -5.716 1.00 0.00 C ATOM 729 C ASP A 75 8.685 -12.169 -6.916 1.00 0.00 C ATOM 730 O ASP A 75 7.525 -12.549 -6.766 1.00 0.00 O ATOM 731 CB ASP A 75 8.645 -11.519 -4.436 1.00 0.00 C ATOM 732 CG ASP A 75 8.275 -12.849 -3.776 1.00 0.00 C ATOM 733 OD1 ASP A 75 8.365 -13.909 -4.436 1.00 0.00 O ATOM 734 OD2 ASP A 75 7.915 -12.789 -2.576 1.00 0.00 O ATOM 0 H ASP A 75 9.545 -9.525 -5.559 1.00 0.00 H new ATOM 0 HA ASP A 75 10.297 -12.345 -5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.186 -10.913 -3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.725 -10.985 -4.674 1.00 0.00 H new ATOM 736 N GLY A 76 9.385 -12.329 -8.036 1.00 0.00 N ATOM 737 CA GLY A 76 8.905 -12.839 -9.346 1.00 0.00 C ATOM 738 C GLY A 76 7.445 -12.489 -9.686 1.00 0.00 C ATOM 739 O GLY A 76 7.155 -11.469 -10.306 1.00 0.00 O ATOM 0 H GLY A 76 10.377 -12.092 -8.069 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.550 -12.444 -10.131 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.015 -13.923 -9.359 1.00 0.00 H new ATOM 741 N ALA A 77 6.555 -13.379 -9.266 1.00 0.00 N ATOM 742 CA ALA A 77 5.095 -13.249 -9.466 1.00 0.00 C ATOM 743 C ALA A 77 4.505 -11.969 -8.826 1.00 0.00 C ATOM 744 O ALA A 77 3.675 -11.289 -9.426 1.00 0.00 O ATOM 745 CB ALA A 77 4.405 -14.489 -8.906 1.00 0.00 C ATOM 0 H ALA A 77 6.819 -14.229 -8.768 1.00 0.00 H new ATOM 0 HA ALA A 77 4.915 -13.163 -10.538 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.328 -14.402 -9.049 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.770 -15.375 -9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.624 -14.578 -7.842 1.00 0.00 H new ATOM 747 N MET A 78 5.015 -11.619 -7.646 1.00 0.00 N ATOM 748 CA MET A 78 4.585 -10.439 -6.856 1.00 0.00 C ATOM 749 C MET A 78 5.145 -9.089 -7.346 1.00 0.00 C ATOM 750 O MET A 78 4.585 -8.039 -7.016 1.00 0.00 O ATOM 751 CB MET A 78 4.985 -10.629 -5.396 1.00 0.00 C ATOM 752 CG MET A 78 4.105 -11.659 -4.686 1.00 0.00 C ATOM 753 SD MET A 78 4.705 -12.079 -3.006 1.00 0.00 S ATOM 754 CE MET A 78 4.645 -10.499 -2.186 1.00 0.00 C ATOM 0 H MET A 78 5.756 -12.153 -7.192 1.00 0.00 H new ATOM 0 HA MET A 78 3.504 -10.387 -6.982 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.027 -10.946 -5.345 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.917 -9.674 -4.875 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.088 -11.273 -4.616 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.061 -12.567 -5.287 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.437 -10.647 -1.126 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.604 -9.993 -2.300 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.858 -9.889 -2.629 1.00 0.00 H new ATOM 756 N SER A 79 6.115 -9.149 -8.256 1.00 0.00 N ATOM 757 CA SER A 79 6.795 -7.969 -8.826 1.00 0.00 C ATOM 758 C SER A 79 5.905 -6.929 -9.526 1.00 0.00 C ATOM 759 O SER A 79 6.335 -5.809 -9.766 1.00 0.00 O ATOM 760 CB SER A 79 7.875 -8.429 -9.806 1.00 0.00 C ATOM 761 OG SER A 79 8.765 -9.329 -9.146 1.00 0.00 O ATOM 0 H SER A 79 6.463 -10.032 -8.630 1.00 0.00 H new ATOM 0 HA SER A 79 7.202 -7.451 -7.958 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.417 -8.919 -10.665 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.426 -7.569 -10.186 1.00 0.00 H new ATOM 0 HG SER A 79 8.597 -10.243 -9.458 1.00 0.00 H new ATOM 764 N ALA A 80 4.685 -7.339 -9.876 1.00 0.00 N ATOM 765 CA ALA A 80 3.695 -6.479 -10.546 1.00 0.00 C ATOM 766 C ALA A 80 2.585 -5.909 -9.646 1.00 0.00 C ATOM 767 O ALA A 80 1.705 -5.199 -10.126 1.00 0.00 O ATOM 768 CB ALA A 80 3.095 -7.269 -11.716 1.00 0.00 C ATOM 0 H ALA A 80 4.348 -8.286 -9.703 1.00 0.00 H new ATOM 0 HA ALA A 80 4.231 -5.592 -10.884 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.357 -6.653 -12.230 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.887 -7.545 -12.413 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.614 -8.171 -11.337 1.00 0.00 H new ATOM 770 N LEU A 81 2.695 -6.089 -8.326 1.00 0.00 N ATOM 771 CA LEU A 81 1.675 -5.599 -7.366 1.00 0.00 C ATOM 772 C LEU A 81 1.885 -4.129 -6.956 1.00 0.00 C ATOM 773 O LEU A 81 2.825 -3.839 -6.216 1.00 0.00 O ATOM 774 CB LEU A 81 1.565 -6.489 -6.126 1.00 0.00 C ATOM 775 CG LEU A 81 1.155 -7.939 -6.436 1.00 0.00 C ATOM 776 CD1 LEU A 81 1.065 -8.729 -5.126 1.00 0.00 C ATOM 777 CD2 LEU A 81 -0.165 -8.039 -7.196 1.00 0.00 C ATOM 0 H LEU A 81 3.480 -6.571 -7.887 1.00 0.00 H new ATOM 0 HA LEU A 81 0.730 -5.652 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.524 -6.495 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.837 -6.054 -5.442 1.00 0.00 H new ATOM 0 HG LEU A 81 1.921 -8.360 -7.087 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.775 -9.757 -5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.035 -8.722 -4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.321 -8.270 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.398 -9.087 -7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.962 -7.591 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.079 -7.511 -8.145 1.00 0.00 H new ATOM 779 N PRO A 82 0.975 -3.219 -7.356 1.00 0.00 N ATOM 780 CA PRO A 82 1.055 -1.779 -7.036 1.00 0.00 C ATOM 781 C PRO A 82 1.245 -1.499 -5.546 1.00 0.00 C ATOM 782 O PRO A 82 0.545 -2.059 -4.696 1.00 0.00 O ATOM 783 CB PRO A 82 -0.235 -1.159 -7.546 1.00 0.00 C ATOM 784 CG PRO A 82 -1.165 -2.329 -7.826 1.00 0.00 C ATOM 785 CD PRO A 82 -0.245 -3.509 -8.126 1.00 0.00 C ATOM 0 HA PRO A 82 1.934 -1.346 -7.513 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.665 -0.484 -6.806 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.059 -0.573 -8.448 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.805 -2.537 -6.969 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.821 -2.117 -8.670 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.695 -4.453 -7.819 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.034 -3.588 -9.192 1.00 0.00 H new ATOM 786 N VAL A 83 2.095 -0.519 -5.276 1.00 0.00 N ATOM 787 CA VAL A 83 2.455 -0.139 -3.896 1.00 0.00 C ATOM 788 C VAL A 83 2.165 1.331 -3.566 1.00 0.00 C ATOM 789 O VAL A 83 2.685 2.261 -4.196 1.00 0.00 O ATOM 790 CB VAL A 83 3.945 -0.469 -3.626 1.00 0.00 C ATOM 791 CG1 VAL A 83 4.275 -0.329 -2.136 1.00 0.00 C ATOM 792 CG2 VAL A 83 4.325 -1.899 -4.016 1.00 0.00 C ATOM 0 H VAL A 83 2.558 0.039 -5.994 1.00 0.00 H new ATOM 0 HA VAL A 83 1.817 -0.728 -3.237 1.00 0.00 H new ATOM 0 HB VAL A 83 4.505 0.240 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.326 -0.566 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.079 0.694 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.655 -1.015 -1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.381 -2.066 -3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.723 -2.604 -3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.143 -2.046 -5.081 1.00 0.00 H new ATOM 794 N LEU A 84 1.435 1.481 -2.466 1.00 0.00 N ATOM 795 CA LEU A 84 1.065 2.781 -1.876 1.00 0.00 C ATOM 796 C LEU A 84 1.755 2.881 -0.506 1.00 0.00 C ATOM 797 O LEU A 84 1.465 2.121 0.424 1.00 0.00 O ATOM 798 CB LEU A 84 -0.455 2.911 -1.746 1.00 0.00 C ATOM 799 CG LEU A 84 -0.915 4.251 -1.146 1.00 0.00 C ATOM 800 CD1 LEU A 84 -0.575 5.431 -2.056 1.00 0.00 C ATOM 801 CD2 LEU A 84 -2.425 4.211 -0.926 1.00 0.00 C ATOM 0 H LEU A 84 1.070 0.687 -1.940 1.00 0.00 H new ATOM 0 HA LEU A 84 1.392 3.598 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.906 2.791 -2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.828 2.098 -1.123 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.390 4.391 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.917 6.357 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.504 5.477 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.069 5.302 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.756 5.159 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.927 4.046 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.671 3.400 -0.241 1.00 0.00 H new ATOM 803 N MET A 85 2.835 3.651 -0.516 1.00 0.00 N ATOM 804 CA MET A 85 3.655 3.891 0.684 1.00 0.00 C ATOM 805 C MET A 85 3.045 4.931 1.634 1.00 0.00 C ATOM 806 O MET A 85 2.925 6.111 1.324 1.00 0.00 O ATOM 807 CB MET A 85 5.055 4.351 0.254 1.00 0.00 C ATOM 808 CG MET A 85 5.955 3.221 -0.256 1.00 0.00 C ATOM 809 SD MET A 85 6.745 2.241 1.074 1.00 0.00 S ATOM 810 CE MET A 85 5.805 0.741 0.944 1.00 0.00 C ATOM 0 H MET A 85 3.174 4.130 -1.350 1.00 0.00 H new ATOM 0 HA MET A 85 3.704 2.951 1.233 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.954 5.102 -0.529 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.542 4.836 1.100 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.363 2.554 -0.883 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.732 3.647 -0.890 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.003 0.111 1.811 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.742 0.980 0.904 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.092 0.209 0.037 1.00 0.00 H new ATOM 812 N VAL A 86 2.555 4.441 2.764 1.00 0.00 N ATOM 813 CA VAL A 86 1.975 5.321 3.794 1.00 0.00 C ATOM 814 C VAL A 86 3.145 5.801 4.674 1.00 0.00 C ATOM 815 O VAL A 86 3.695 5.061 5.484 1.00 0.00 O ATOM 816 CB VAL A 86 0.895 4.701 4.684 1.00 0.00 C ATOM 817 CG1 VAL A 86 0.145 5.831 5.394 1.00 0.00 C ATOM 818 CG2 VAL A 86 -0.135 3.871 3.914 1.00 0.00 C ATOM 0 H VAL A 86 2.543 3.448 2.999 1.00 0.00 H new ATOM 0 HA VAL A 86 1.456 6.122 3.268 1.00 0.00 H new ATOM 0 HB VAL A 86 1.405 4.031 5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.630 5.408 6.034 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.844 6.406 6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.314 6.485 4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.868 3.464 4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.640 4.504 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.369 3.053 3.398 1.00 0.00 H new ATOM 820 N THR A 87 3.495 7.051 4.444 1.00 0.00 N ATOM 821 CA THR A 87 4.625 7.691 5.134 1.00 0.00 C ATOM 822 C THR A 87 4.165 8.471 6.374 1.00 0.00 C ATOM 823 O THR A 87 3.045 8.981 6.434 1.00 0.00 O ATOM 824 CB THR A 87 5.465 8.611 4.224 1.00 0.00 C ATOM 825 OG1 THR A 87 4.845 9.901 4.084 1.00 0.00 O ATOM 826 CG2 THR A 87 5.685 8.041 2.824 1.00 0.00 C ATOM 0 H THR A 87 3.015 7.658 3.780 1.00 0.00 H new ATOM 0 HA THR A 87 5.269 6.868 5.443 1.00 0.00 H new ATOM 0 HB THR A 87 6.433 8.695 4.718 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.513 10.555 3.790 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.283 8.738 2.237 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.208 7.087 2.897 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.722 7.890 2.337 1.00 0.00 H new ATOM 829 N ALA A 88 4.975 8.351 7.424 1.00 0.00 N ATOM 830 CA ALA A 88 4.745 9.081 8.684 1.00 0.00 C ATOM 831 C ALA A 88 4.955 10.591 8.484 1.00 0.00 C ATOM 832 O ALA A 88 4.135 11.421 8.874 1.00 0.00 O ATOM 833 CB ALA A 88 5.635 8.541 9.804 1.00 0.00 C ATOM 0 H ALA A 88 5.802 7.754 7.434 1.00 0.00 H new ATOM 0 HA ALA A 88 3.709 8.923 8.983 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.444 9.098 10.721 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.414 7.486 9.968 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.682 8.653 9.523 1.00 0.00 H new ATOM 835 N GLU A 89 6.055 10.891 7.794 1.00 0.00 N ATOM 836 CA GLU A 89 6.445 12.261 7.424 1.00 0.00 C ATOM 837 C GLU A 89 6.915 12.221 5.964 1.00 0.00 C ATOM 838 O GLU A 89 7.705 11.361 5.574 1.00 0.00 O ATOM 839 CB GLU A 89 7.555 12.761 8.354 1.00 0.00 C ATOM 840 CG GLU A 89 7.775 14.271 8.244 1.00 0.00 C ATOM 841 CD GLU A 89 6.505 15.061 8.604 1.00 0.00 C ATOM 842 OE1 GLU A 89 6.285 15.281 9.814 1.00 0.00 O ATOM 843 OE2 GLU A 89 5.785 15.431 7.644 1.00 0.00 O ATOM 0 H GLU A 89 6.713 10.183 7.469 1.00 0.00 H new ATOM 0 HA GLU A 89 5.607 12.951 7.526 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.303 12.508 9.384 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.484 12.243 8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.588 14.569 8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.083 14.520 7.229 1.00 0.00 H new ATOM 845 N ALA A 90 6.345 13.111 5.164 1.00 0.00 N ATOM 846 CA ALA A 90 6.675 13.211 3.734 1.00 0.00 C ATOM 847 C ALA A 90 7.615 14.381 3.424 1.00 0.00 C ATOM 848 O ALA A 90 7.345 15.531 3.764 1.00 0.00 O ATOM 849 CB ALA A 90 5.405 13.321 2.894 1.00 0.00 C ATOM 0 H ALA A 90 5.645 13.783 5.477 1.00 0.00 H new ATOM 0 HA ALA A 90 7.204 12.295 3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.671 13.394 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.787 12.437 3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.849 14.210 3.190 1.00 0.00 H new ATOM 851 N LYS A 91 8.815 13.991 3.004 1.00 0.00 N ATOM 852 CA LYS A 91 9.885 14.921 2.584 1.00 0.00 C ATOM 853 C LYS A 91 10.525 14.371 1.304 1.00 0.00 C ATOM 854 O LYS A 91 10.585 13.161 1.114 1.00 0.00 O ATOM 855 CB LYS A 91 10.935 15.221 3.674 1.00 0.00 C ATOM 856 CG LYS A 91 11.825 14.051 4.114 1.00 0.00 C ATOM 857 CD LYS A 91 11.135 13.121 5.104 1.00 0.00 C ATOM 858 CE LYS A 91 12.085 12.021 5.564 1.00 0.00 C ATOM 859 NZ LYS A 91 11.375 11.171 6.534 1.00 0.00 N ATOM 0 H LYS A 91 9.086 13.010 2.941 1.00 0.00 H new ATOM 0 HA LYS A 91 9.427 15.892 2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.580 16.022 3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.414 15.602 4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.126 13.480 3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.736 14.444 4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.788 13.692 5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.254 12.677 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.419 11.428 4.713 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.975 12.454 6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.008 10.413 6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.077 11.747 7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.538 10.752 6.081 1.00 0.00 H new ATOM 864 N LYS A 92 11.075 15.271 0.494 1.00 0.00 N ATOM 865 CA LYS A 92 11.705 14.921 -0.806 1.00 0.00 C ATOM 866 C LYS A 92 12.565 13.651 -0.816 1.00 0.00 C ATOM 867 O LYS A 92 12.285 12.741 -1.596 1.00 0.00 O ATOM 868 CB LYS A 92 12.455 16.121 -1.376 1.00 0.00 C ATOM 869 CG LYS A 92 11.435 17.131 -1.896 1.00 0.00 C ATOM 870 CD LYS A 92 12.115 18.341 -2.526 1.00 0.00 C ATOM 871 CE LYS A 92 11.065 19.261 -3.146 1.00 0.00 C ATOM 872 NZ LYS A 92 11.735 20.401 -3.776 1.00 0.00 N ATOM 0 H LYS A 92 11.104 16.268 0.707 1.00 0.00 H new ATOM 0 HA LYS A 92 10.873 14.664 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.080 16.576 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.119 15.805 -2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.790 16.651 -2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.795 17.458 -1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 92 12.686 18.882 -1.772 1.00 0.00 H new ATOM 0 HD3 LYS A 92 12.823 18.016 -3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.477 18.716 -3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.372 19.609 -2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.024 21.031 -4.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.278 20.924 -3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.380 20.059 -4.517 1.00 0.00 H new ATOM 877 N GLU A 93 13.385 13.491 0.224 1.00 0.00 N ATOM 878 CA GLU A 93 14.275 12.331 0.414 1.00 0.00 C ATOM 879 C GLU A 93 13.535 10.991 0.334 1.00 0.00 C ATOM 880 O GLU A 93 13.695 10.271 -0.656 1.00 0.00 O ATOM 881 CB GLU A 93 15.065 12.421 1.734 1.00 0.00 C ATOM 882 CG GLU A 93 16.045 13.601 1.794 1.00 0.00 C ATOM 883 CD GLU A 93 15.455 14.851 2.464 1.00 0.00 C ATOM 884 OE1 GLU A 93 14.575 15.481 1.834 1.00 0.00 O ATOM 885 OE2 GLU A 93 15.865 15.121 3.604 1.00 0.00 O ATOM 0 H GLU A 93 13.455 14.176 0.977 1.00 0.00 H new ATOM 0 HA GLU A 93 14.980 12.367 -0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.361 12.504 2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 93 15.619 11.494 1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 93 16.939 13.294 2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 93 16.359 13.855 0.782 1.00 0.00 H new ATOM 887 N ASN A 94 12.575 10.771 1.234 1.00 0.00 N ATOM 888 CA ASN A 94 11.805 9.511 1.244 1.00 0.00 C ATOM 889 C ASN A 94 10.835 9.341 0.054 1.00 0.00 C ATOM 890 O ASN A 94 10.655 8.221 -0.426 1.00 0.00 O ATOM 891 CB ASN A 94 11.155 9.201 2.594 1.00 0.00 C ATOM 892 CG ASN A 94 10.005 10.081 3.094 1.00 0.00 C ATOM 893 OD1 ASN A 94 9.705 11.161 2.604 1.00 0.00 O ATOM 894 ND2 ASN A 94 9.335 9.601 4.114 1.00 0.00 N ATOM 0 H ASN A 94 12.309 11.436 1.960 1.00 0.00 H new ATOM 0 HA ASN A 94 12.562 8.741 1.094 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.788 8.175 2.553 1.00 0.00 H new ATOM 0 HB3 ASN A 94 11.940 9.228 3.349 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.556 10.129 4.506 1.00 0.00 H new ATOM 0 HD22 ASN A 94 9.593 8.699 4.515 1.00 0.00 H new ATOM 898 N ILE A 95 10.335 10.451 -0.486 1.00 0.00 N ATOM 899 CA ILE A 95 9.445 10.461 -1.666 1.00 0.00 C ATOM 900 C ILE A 95 10.175 9.861 -2.886 1.00 0.00 C ATOM 901 O ILE A 95 9.745 8.841 -3.426 1.00 0.00 O ATOM 902 CB ILE A 95 8.905 11.891 -1.886 1.00 0.00 C ATOM 903 CG1 ILE A 95 7.955 12.241 -0.726 1.00 0.00 C ATOM 904 CG2 ILE A 95 8.215 12.071 -3.256 1.00 0.00 C ATOM 905 CD1 ILE A 95 7.595 13.731 -0.606 1.00 0.00 C ATOM 0 H ILE A 95 10.533 11.382 -0.120 1.00 0.00 H new ATOM 0 HA ILE A 95 8.575 9.825 -1.504 1.00 0.00 H new ATOM 0 HB ILE A 95 9.750 12.580 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.035 11.669 -0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.413 11.917 0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.857 13.096 -3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.928 11.860 -4.053 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.372 11.384 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.922 13.876 0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 95 8.503 14.313 -0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.104 14.061 -1.521 1.00 0.00 H new ATOM 907 N ILE A 96 11.365 10.401 -3.166 1.00 0.00 N ATOM 908 CA ILE A 96 12.215 9.931 -4.286 1.00 0.00 C ATOM 909 C ILE A 96 12.625 8.461 -4.056 1.00 0.00 C ATOM 910 O ILE A 96 12.365 7.621 -4.916 1.00 0.00 O ATOM 911 CB ILE A 96 13.425 10.881 -4.476 1.00 0.00 C ATOM 912 CG1 ILE A 96 12.925 12.311 -4.746 1.00 0.00 C ATOM 913 CG2 ILE A 96 14.295 10.421 -5.656 1.00 0.00 C ATOM 914 CD1 ILE A 96 13.965 13.391 -4.406 1.00 0.00 C ATOM 0 H ILE A 96 11.772 11.170 -2.633 1.00 0.00 H new ATOM 0 HA ILE A 96 11.651 9.958 -5.218 1.00 0.00 H new ATOM 0 HB ILE A 96 14.023 10.862 -3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 96 12.649 12.400 -5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 96 12.022 12.489 -4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 96 15.139 11.101 -5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 96 14.664 9.414 -5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 96 13.700 10.422 -6.569 1.00 0.00 H new ATOM 0 HD11 ILE A 96 13.550 14.376 -4.619 1.00 0.00 H new ATOM 0 HD12 ILE A 96 14.224 13.327 -3.349 1.00 0.00 H new ATOM 0 HD13 ILE A 96 14.860 13.237 -5.008 1.00 0.00 H new ATOM 916 N ALA A 97 13.025 8.151 -2.816 1.00 0.00 N ATOM 917 CA ALA A 97 13.425 6.791 -2.386 1.00 0.00 C ATOM 918 C ALA A 97 12.345 5.741 -2.706 1.00 0.00 C ATOM 919 O ALA A 97 12.605 4.751 -3.396 1.00 0.00 O ATOM 920 CB ALA A 97 13.735 6.791 -0.886 1.00 0.00 C ATOM 0 H ALA A 97 13.083 8.842 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 97 14.319 6.516 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.029 5.788 -0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.549 7.487 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.848 7.098 -0.331 1.00 0.00 H new ATOM 922 N ALA A 98 11.105 6.091 -2.346 1.00 0.00 N ATOM 923 CA ALA A 98 9.905 5.271 -2.566 1.00 0.00 C ATOM 924 C ALA A 98 9.705 4.941 -4.056 1.00 0.00 C ATOM 925 O ALA A 98 9.745 3.771 -4.446 1.00 0.00 O ATOM 926 CB ALA A 98 8.685 6.011 -1.996 1.00 0.00 C ATOM 0 H ALA A 98 10.901 6.976 -1.881 1.00 0.00 H new ATOM 0 HA ALA A 98 10.029 4.319 -2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.789 5.411 -2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.827 6.177 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.573 6.970 -2.501 1.00 0.00 H new ATOM 928 N ALA A 99 9.695 5.991 -4.886 1.00 0.00 N ATOM 929 CA ALA A 99 9.525 5.891 -6.346 1.00 0.00 C ATOM 930 C ALA A 99 10.625 5.031 -7.006 1.00 0.00 C ATOM 931 O ALA A 99 10.315 4.041 -7.676 1.00 0.00 O ATOM 932 CB ALA A 99 9.495 7.301 -6.946 1.00 0.00 C ATOM 0 H ALA A 99 9.806 6.951 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 99 8.580 5.387 -6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 99 9.369 7.234 -8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.663 7.861 -6.518 1.00 0.00 H new ATOM 0 HB3 ALA A 99 10.431 7.812 -6.721 1.00 0.00 H new ATOM 934 N GLN A 100 11.865 5.281 -6.606 1.00 0.00 N ATOM 935 CA GLN A 100 13.065 4.571 -7.096 1.00 0.00 C ATOM 936 C GLN A 100 13.005 3.051 -6.876 1.00 0.00 C ATOM 937 O GLN A 100 13.395 2.271 -7.746 1.00 0.00 O ATOM 938 CB GLN A 100 14.335 5.101 -6.426 1.00 0.00 C ATOM 939 CG GLN A 100 14.655 6.551 -6.816 1.00 0.00 C ATOM 940 CD GLN A 100 15.895 7.051 -6.086 1.00 0.00 C ATOM 941 OE1 GLN A 100 15.875 7.481 -4.936 1.00 0.00 O ATOM 942 NE2 GLN A 100 17.015 7.041 -6.776 1.00 0.00 N ATOM 0 H GLN A 100 12.082 5.999 -5.915 1.00 0.00 H new ATOM 0 HA GLN A 100 13.090 4.762 -8.169 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.222 5.037 -5.344 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.176 4.463 -6.697 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.812 6.616 -7.893 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.806 7.191 -6.578 1.00 0.00 H new ATOM 0 HE21 GLN A 100 17.023 6.682 -7.731 1.00 0.00 H new ATOM 0 HE22 GLN A 100 17.876 7.392 -6.356 1.00 0.00 H new ATOM 946 N ALA A 101 12.455 2.651 -5.726 1.00 0.00 N ATOM 947 CA ALA A 101 12.315 1.231 -5.336 1.00 0.00 C ATOM 948 C ALA A 101 11.055 0.501 -5.846 1.00 0.00 C ATOM 949 O ALA A 101 10.795 -0.639 -5.456 1.00 0.00 O ATOM 950 CB ALA A 101 12.455 1.151 -3.816 1.00 0.00 C ATOM 0 H ALA A 101 12.090 3.301 -5.030 1.00 0.00 H new ATOM 0 HA ALA A 101 13.110 0.683 -5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.356 0.114 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.433 1.531 -3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.676 1.751 -3.347 1.00 0.00 H new ATOM 952 N GLY A 102 10.265 1.181 -6.686 1.00 0.00 N ATOM 953 CA GLY A 102 9.045 0.601 -7.286 1.00 0.00 C ATOM 954 C GLY A 102 7.695 1.161 -6.796 1.00 0.00 C ATOM 955 O GLY A 102 6.665 0.791 -7.356 1.00 0.00 O ATOM 0 H GLY A 102 10.447 2.143 -6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.099 0.740 -8.366 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.054 -0.473 -7.102 1.00 0.00 H new ATOM 957 N ALA A 103 7.675 2.041 -5.796 1.00 0.00 N ATOM 958 CA ALA A 103 6.405 2.591 -5.256 1.00 0.00 C ATOM 959 C ALA A 103 5.595 3.401 -6.276 1.00 0.00 C ATOM 960 O ALA A 103 5.975 4.491 -6.706 1.00 0.00 O ATOM 961 CB ALA A 103 6.615 3.411 -3.986 1.00 0.00 C ATOM 0 H ALA A 103 8.514 2.395 -5.336 1.00 0.00 H new ATOM 0 HA ALA A 103 5.816 1.709 -5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.655 3.789 -3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.061 2.782 -3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.279 4.249 -4.199 1.00 0.00 H new ATOM 963 N SER A 104 4.415 2.851 -6.526 1.00 0.00 N ATOM 964 CA SER A 104 3.395 3.391 -7.456 1.00 0.00 C ATOM 965 C SER A 104 2.865 4.771 -7.036 1.00 0.00 C ATOM 966 O SER A 104 2.275 5.491 -7.846 1.00 0.00 O ATOM 967 CB SER A 104 2.185 2.451 -7.516 1.00 0.00 C ATOM 968 OG SER A 104 2.575 1.081 -7.576 1.00 0.00 O ATOM 0 H SER A 104 4.117 1.985 -6.078 1.00 0.00 H new ATOM 0 HA SER A 104 3.894 3.480 -8.421 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.558 2.611 -6.639 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.580 2.694 -8.389 1.00 0.00 H new ATOM 0 HG SER A 104 2.229 0.678 -8.400 1.00 0.00 H new ATOM 971 N GLY A 105 2.895 5.001 -5.726 1.00 0.00 N ATOM 972 CA GLY A 105 2.455 6.251 -5.076 1.00 0.00 C ATOM 973 C GLY A 105 2.675 6.181 -3.566 1.00 0.00 C ATOM 974 O GLY A 105 3.075 5.151 -3.016 1.00 0.00 O ATOM 0 H GLY A 105 3.235 4.307 -5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 105 3.006 7.095 -5.490 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.400 6.425 -5.287 1.00 0.00 H new ATOM 976 N TYR A 106 2.485 7.331 -2.936 1.00 0.00 N ATOM 977 CA TYR A 106 2.645 7.471 -1.476 1.00 0.00 C ATOM 978 C TYR A 106 1.625 8.441 -0.886 1.00 0.00 C ATOM 979 O TYR A 106 1.335 9.491 -1.476 1.00 0.00 O ATOM 980 CB TYR A 106 4.085 7.871 -1.096 1.00 0.00 C ATOM 981 CG TYR A 106 4.445 9.321 -1.386 1.00 0.00 C ATOM 982 CD1 TYR A 106 4.735 9.691 -2.716 1.00 0.00 C ATOM 983 CD2 TYR A 106 4.215 10.291 -0.376 1.00 0.00 C ATOM 984 CE1 TYR A 106 4.745 11.051 -3.056 1.00 0.00 C ATOM 985 CE2 TYR A 106 4.225 11.651 -0.716 1.00 0.00 C ATOM 986 CZ TYR A 106 4.485 12.011 -2.056 1.00 0.00 C ATOM 987 OH TYR A 106 4.485 13.331 -2.396 1.00 0.00 O ATOM 0 H TYR A 106 2.217 8.194 -3.409 1.00 0.00 H new ATOM 0 HA TYR A 106 2.453 6.491 -1.039 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.231 7.681 -0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.780 7.225 -1.633 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.946 8.938 -3.461 1.00 0.00 H new ATOM 0 HD2 TYR A 106 4.034 9.985 0.644 1.00 0.00 H new ATOM 0 HE1 TYR A 106 4.949 11.360 -4.071 1.00 0.00 H new ATOM 0 HE2 TYR A 106 4.038 12.408 0.032 1.00 0.00 H new ATOM 0 HH TYR A 106 4.290 13.873 -1.603 1.00 0.00 H new ATOM 990 N VAL A 107 1.145 8.091 0.304 1.00 0.00 N ATOM 991 CA VAL A 107 0.185 8.921 1.064 1.00 0.00 C ATOM 992 C VAL A 107 0.685 9.131 2.494 1.00 0.00 C ATOM 993 O VAL A 107 1.225 8.221 3.114 1.00 0.00 O ATOM 994 CB VAL A 107 -1.245 8.361 0.914 1.00 0.00 C ATOM 995 CG1 VAL A 107 -1.595 7.211 1.864 1.00 0.00 C ATOM 996 CG2 VAL A 107 -2.255 9.501 1.084 1.00 0.00 C ATOM 0 H VAL A 107 1.404 7.226 0.778 1.00 0.00 H new ATOM 0 HA VAL A 107 0.122 9.927 0.650 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.292 7.931 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.620 6.887 1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.915 6.377 1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.500 7.550 2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.267 9.109 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.139 9.946 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.079 10.260 0.322 1.00 0.00 H new ATOM 998 N VAL A 108 0.745 10.401 2.884 1.00 0.00 N ATOM 999 CA VAL A 108 1.195 10.771 4.244 1.00 0.00 C ATOM 1000 C VAL A 108 0.045 10.701 5.264 1.00 0.00 C ATOM 1001 O VAL A 108 -1.115 10.971 4.934 1.00 0.00 O ATOM 1002 CB VAL A 108 1.915 12.141 4.204 1.00 0.00 C ATOM 1003 CG1 VAL A 108 0.985 13.311 3.884 1.00 0.00 C ATOM 1004 CG2 VAL A 108 2.685 12.401 5.504 1.00 0.00 C ATOM 0 H VAL A 108 0.493 11.192 2.292 1.00 0.00 H new ATOM 0 HA VAL A 108 1.923 10.039 4.594 1.00 0.00 H new ATOM 0 HB VAL A 108 2.624 12.079 3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.558 14.238 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.527 13.155 2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.206 13.375 4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.180 13.370 5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.991 12.398 6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.432 11.620 5.647 1.00 0.00 H new ATOM 1006 N LYS A 109 0.385 10.251 6.464 1.00 0.00 N ATOM 1007 CA LYS A 109 -0.585 10.151 7.574 1.00 0.00 C ATOM 1008 C LYS A 109 -0.605 11.461 8.404 1.00 0.00 C ATOM 1009 O LYS A 109 0.455 12.081 8.564 1.00 0.00 O ATOM 1010 CB LYS A 109 -0.305 8.901 8.424 1.00 0.00 C ATOM 1011 CG LYS A 109 1.055 8.881 9.134 1.00 0.00 C ATOM 1012 CD LYS A 109 1.265 7.631 10.004 1.00 0.00 C ATOM 1013 CE LYS A 109 1.445 6.311 9.234 1.00 0.00 C ATOM 1014 NZ LYS A 109 2.685 6.311 8.444 1.00 0.00 N ATOM 0 H LYS A 109 1.327 9.945 6.706 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.588 10.030 7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.090 8.810 9.175 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.374 8.023 7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.848 8.934 8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.145 9.770 9.758 1.00 0.00 H new ATOM 0 HD2 LYS A 109 2.143 7.789 10.630 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.411 7.528 10.673 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.461 5.478 9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.592 6.155 8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.980 5.331 8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.520 6.797 7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.433 6.805 8.971 1.00 0.00 H new ATOM 1019 N PRO A 110 -1.795 11.951 8.804 1.00 0.00 N ATOM 1020 CA PRO A 110 -3.115 11.361 8.514 1.00 0.00 C ATOM 1021 C PRO A 110 -3.715 11.821 7.174 1.00 0.00 C ATOM 1022 O PRO A 110 -3.735 13.001 6.824 1.00 0.00 O ATOM 1023 CB PRO A 110 -3.985 11.801 9.694 1.00 0.00 C ATOM 1024 CG PRO A 110 -3.415 13.171 10.074 1.00 0.00 C ATOM 1025 CD PRO A 110 -1.915 13.031 9.804 1.00 0.00 C ATOM 0 HA PRO A 110 -3.046 10.278 8.408 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.036 11.868 9.413 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.921 11.097 10.523 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.856 13.968 9.475 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.613 13.411 11.119 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.495 13.964 9.427 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.373 12.783 10.717 1.00 0.00 H new ATOM 1026 N PHE A 111 -4.245 10.831 6.464 1.00 0.00 N ATOM 1027 CA PHE A 111 -4.895 11.001 5.154 1.00 0.00 C ATOM 1028 C PHE A 111 -6.385 10.621 5.264 1.00 0.00 C ATOM 1029 O PHE A 111 -6.765 9.781 6.084 1.00 0.00 O ATOM 1030 CB PHE A 111 -4.175 10.221 4.054 1.00 0.00 C ATOM 1031 CG PHE A 111 -4.095 8.711 4.284 1.00 0.00 C ATOM 1032 CD1 PHE A 111 -3.145 8.191 5.194 1.00 0.00 C ATOM 1033 CD2 PHE A 111 -4.985 7.871 3.594 1.00 0.00 C ATOM 1034 CE1 PHE A 111 -3.125 6.811 5.444 1.00 0.00 C ATOM 1035 CE2 PHE A 111 -4.935 6.481 3.824 1.00 0.00 C ATOM 1036 CZ PHE A 111 -4.025 5.961 4.774 1.00 0.00 C ATOM 0 H PHE A 111 -4.238 9.863 6.784 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.830 12.050 4.864 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.683 10.403 3.107 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -3.163 10.613 3.953 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.445 8.847 5.689 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.698 8.285 2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.419 6.401 6.151 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.588 5.817 3.278 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.021 4.902 4.987 1.00 0.00 H new ATOM 1038 N THR A 112 -7.205 11.241 4.424 1.00 0.00 N ATOM 1039 CA THR A 112 -8.665 11.001 4.414 1.00 0.00 C ATOM 1040 C THR A 112 -9.085 10.151 3.204 1.00 0.00 C ATOM 1041 O THR A 112 -8.275 9.831 2.334 1.00 0.00 O ATOM 1042 CB THR A 112 -9.465 12.321 4.404 1.00 0.00 C ATOM 1043 OG1 THR A 112 -9.305 12.981 3.144 1.00 0.00 O ATOM 1044 CG2 THR A 112 -9.135 13.231 5.584 1.00 0.00 C ATOM 0 H THR A 112 -6.892 11.921 3.731 1.00 0.00 H new ATOM 0 HA THR A 112 -8.893 10.459 5.332 1.00 0.00 H new ATOM 0 HB THR A 112 -10.518 12.069 4.529 1.00 0.00 H new ATOM 0 HG1 THR A 112 -8.372 12.907 2.852 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.730 14.142 5.519 1.00 0.00 H new ATOM 0 HG22 THR A 112 -9.363 12.715 6.517 1.00 0.00 H new ATOM 0 HG23 THR A 112 -8.076 13.487 5.561 1.00 0.00 H new ATOM 1047 N ALA A 113 -10.385 9.851 3.144 1.00 0.00 N ATOM 1048 CA ALA A 113 -10.995 9.081 2.044 1.00 0.00 C ATOM 1049 C ALA A 113 -10.675 9.691 0.664 1.00 0.00 C ATOM 1050 O ALA A 113 -10.135 9.001 -0.196 1.00 0.00 O ATOM 1051 CB ALA A 113 -12.515 8.981 2.254 1.00 0.00 C ATOM 0 H ALA A 113 -11.053 10.135 3.860 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.564 8.080 2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.958 8.411 1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.719 8.479 3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -12.946 9.982 2.274 1.00 0.00 H new ATOM 1053 N ALA A 114 -10.805 11.011 0.574 1.00 0.00 N ATOM 1054 CA ALA A 114 -10.515 11.781 -0.656 1.00 0.00 C ATOM 1055 C ALA A 114 -9.025 11.671 -1.046 1.00 0.00 C ATOM 1056 O ALA A 114 -8.725 11.201 -2.146 1.00 0.00 O ATOM 1057 CB ALA A 114 -10.935 13.241 -0.486 1.00 0.00 C ATOM 0 H ALA A 114 -11.116 11.592 1.353 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.099 11.352 -1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.714 13.792 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.005 13.291 -0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.386 13.683 0.345 1.00 0.00 H new ATOM 1059 N THR A 115 -8.135 11.891 -0.076 1.00 0.00 N ATOM 1060 CA THR A 115 -6.675 11.801 -0.276 1.00 0.00 C ATOM 1061 C THR A 115 -6.295 10.411 -0.816 1.00 0.00 C ATOM 1062 O THR A 115 -5.705 10.311 -1.896 1.00 0.00 O ATOM 1063 CB THR A 115 -5.895 12.021 1.034 1.00 0.00 C ATOM 1064 OG1 THR A 115 -6.585 12.911 1.924 1.00 0.00 O ATOM 1065 CG2 THR A 115 -4.495 12.571 0.744 1.00 0.00 C ATOM 0 H THR A 115 -8.401 12.138 0.877 1.00 0.00 H new ATOM 0 HA THR A 115 -6.411 12.584 -0.987 1.00 0.00 H new ATOM 0 HB THR A 115 -5.810 11.050 1.521 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.952 13.276 2.577 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.961 12.719 1.682 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.947 11.862 0.123 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.579 13.523 0.220 1.00 0.00 H new ATOM 1068 N LEU A 116 -6.835 9.381 -0.166 1.00 0.00 N ATOM 1069 CA LEU A 116 -6.625 7.961 -0.526 1.00 0.00 C ATOM 1070 C LEU A 116 -7.105 7.731 -1.976 1.00 0.00 C ATOM 1071 O LEU A 116 -6.315 7.321 -2.826 1.00 0.00 O ATOM 1072 CB LEU A 116 -7.395 7.041 0.424 1.00 0.00 C ATOM 1073 CG LEU A 116 -6.605 5.761 0.764 1.00 0.00 C ATOM 1074 CD1 LEU A 116 -7.415 4.921 1.754 1.00 0.00 C ATOM 1075 CD2 LEU A 116 -6.245 4.881 -0.436 1.00 0.00 C ATOM 0 H LEU A 116 -7.444 9.502 0.643 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.563 7.728 -0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.623 7.580 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.348 6.768 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 116 -5.659 6.105 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -6.862 4.014 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.589 5.497 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.372 4.653 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.691 4.007 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.157 4.559 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.629 5.450 -1.133 1.00 0.00 H new ATOM 1077 N GLU A 117 -8.335 8.151 -2.276 1.00 0.00 N ATOM 1078 CA GLU A 117 -8.965 8.031 -3.616 1.00 0.00 C ATOM 1079 C GLU A 117 -8.125 8.681 -4.726 1.00 0.00 C ATOM 1080 O GLU A 117 -7.895 8.071 -5.766 1.00 0.00 O ATOM 1081 CB GLU A 117 -10.365 8.661 -3.596 1.00 0.00 C ATOM 1082 CG GLU A 117 -11.165 8.291 -4.846 1.00 0.00 C ATOM 1083 CD GLU A 117 -12.385 9.191 -5.006 1.00 0.00 C ATOM 1084 OE1 GLU A 117 -13.445 8.821 -4.466 1.00 0.00 O ATOM 1085 OE2 GLU A 117 -12.225 10.231 -5.686 1.00 0.00 O ATOM 0 H GLU A 117 -8.944 8.595 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.034 6.967 -3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.902 8.328 -2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.276 9.745 -3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.529 8.377 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.483 7.250 -4.783 1.00 0.00 H new ATOM 1087 N GLU A 118 -7.645 9.901 -4.466 1.00 0.00 N ATOM 1088 CA GLU A 118 -6.785 10.651 -5.406 1.00 0.00 C ATOM 1089 C GLU A 118 -5.555 9.821 -5.826 1.00 0.00 C ATOM 1090 O GLU A 118 -5.385 9.531 -7.006 1.00 0.00 O ATOM 1091 CB GLU A 118 -6.365 12.001 -4.816 1.00 0.00 C ATOM 1092 CG GLU A 118 -7.345 13.141 -5.126 1.00 0.00 C ATOM 1093 CD GLU A 118 -8.655 13.101 -4.326 1.00 0.00 C ATOM 1094 OE1 GLU A 118 -9.605 12.441 -4.816 1.00 0.00 O ATOM 1095 OE2 GLU A 118 -8.685 13.751 -3.266 1.00 0.00 O ATOM 0 H GLU A 118 -7.838 10.403 -3.599 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.372 10.848 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -6.268 11.901 -3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -5.380 12.265 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -6.847 14.091 -4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -7.584 13.116 -6.189 1.00 0.00 H new ATOM 1097 N LYS A 119 -4.905 9.251 -4.806 1.00 0.00 N ATOM 1098 CA LYS A 119 -3.725 8.381 -4.976 1.00 0.00 C ATOM 1099 C LYS A 119 -4.085 7.121 -5.796 1.00 0.00 C ATOM 1100 O LYS A 119 -3.455 6.871 -6.826 1.00 0.00 O ATOM 1101 CB LYS A 119 -3.155 7.971 -3.606 1.00 0.00 C ATOM 1102 CG LYS A 119 -2.725 9.161 -2.746 1.00 0.00 C ATOM 1103 CD LYS A 119 -1.585 9.971 -3.376 1.00 0.00 C ATOM 1104 CE LYS A 119 -1.325 11.251 -2.586 1.00 0.00 C ATOM 1105 NZ LYS A 119 -0.315 12.041 -3.306 1.00 0.00 N ATOM 0 H LYS A 119 -5.180 9.378 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.967 8.944 -5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.906 7.395 -3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.299 7.314 -3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.582 9.815 -2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.410 8.800 -1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.678 9.367 -3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.837 10.220 -4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.246 11.823 -2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.975 11.013 -1.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.123 12.919 -2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.563 11.489 -3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.669 12.274 -4.256 1.00 0.00 H new ATOM 1110 N LEU A 120 -5.195 6.481 -5.426 1.00 0.00 N ATOM 1111 CA LEU A 120 -5.705 5.281 -6.116 1.00 0.00 C ATOM 1112 C LEU A 120 -5.915 5.511 -7.616 1.00 0.00 C ATOM 1113 O LEU A 120 -5.295 4.831 -8.436 1.00 0.00 O ATOM 1114 CB LEU A 120 -7.035 4.821 -5.496 1.00 0.00 C ATOM 1115 CG LEU A 120 -6.865 4.261 -4.076 1.00 0.00 C ATOM 1116 CD1 LEU A 120 -8.235 4.081 -3.426 1.00 0.00 C ATOM 1117 CD2 LEU A 120 -6.095 2.941 -4.066 1.00 0.00 C ATOM 0 H LEU A 120 -5.772 6.776 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.944 4.511 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.729 5.661 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -7.483 4.057 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.278 4.979 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -8.110 3.684 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.743 5.044 -3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.831 3.387 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.999 2.583 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.633 2.202 -4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -5.103 3.095 -4.490 1.00 0.00 H new ATOM 1119 N ASN A 121 -6.635 6.591 -7.946 1.00 0.00 N ATOM 1120 CA ASN A 121 -6.925 7.011 -9.326 1.00 0.00 C ATOM 1121 C ASN A 121 -5.645 7.141 -10.166 1.00 0.00 C ATOM 1122 O ASN A 121 -5.485 6.471 -11.196 1.00 0.00 O ATOM 1123 CB ASN A 121 -7.665 8.361 -9.306 1.00 0.00 C ATOM 1124 CG ASN A 121 -9.145 8.251 -8.916 1.00 0.00 C ATOM 1125 OD1 ASN A 121 -9.815 7.241 -9.096 1.00 0.00 O ATOM 1126 ND2 ASN A 121 -9.685 9.321 -8.386 1.00 0.00 N ATOM 0 H ASN A 121 -7.042 7.212 -7.246 1.00 0.00 H new ATOM 0 HA ASN A 121 -7.549 6.244 -9.785 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -7.163 9.029 -8.606 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -7.592 8.819 -10.292 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -10.670 9.317 -8.120 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -9.121 10.158 -8.239 1.00 0.00 H new ATOM 1130 N LYS A 122 -4.685 7.871 -9.606 1.00 0.00 N ATOM 1131 CA LYS A 122 -3.345 8.121 -10.176 1.00 0.00 C ATOM 1132 C LYS A 122 -2.595 6.811 -10.486 1.00 0.00 C ATOM 1133 O LYS A 122 -2.185 6.581 -11.626 1.00 0.00 O ATOM 1134 CB LYS A 122 -2.595 9.011 -9.176 1.00 0.00 C ATOM 1135 CG LYS A 122 -1.175 9.371 -9.606 1.00 0.00 C ATOM 1136 CD LYS A 122 -0.415 10.151 -8.526 1.00 0.00 C ATOM 1137 CE LYS A 122 -0.195 9.381 -7.216 1.00 0.00 C ATOM 1138 NZ LYS A 122 0.595 8.171 -7.446 1.00 0.00 N ATOM 0 H LYS A 122 -4.815 8.329 -8.704 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.424 8.627 -11.138 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.162 9.930 -9.027 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.554 8.502 -8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.628 8.458 -9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.215 9.965 -10.519 1.00 0.00 H new ATOM 0 HD2 LYS A 122 0.555 10.447 -8.925 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.962 11.068 -8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.314 10.021 -6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -1.158 9.114 -6.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.004 7.333 -7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 0.935 8.160 -8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.408 8.159 -6.798 1.00 0.00 H new ATOM 1143 N ILE A 123 -2.575 5.911 -9.506 1.00 0.00 N ATOM 1144 CA ILE A 123 -1.925 4.581 -9.606 1.00 0.00 C ATOM 1145 C ILE A 123 -2.545 3.761 -10.756 1.00 0.00 C ATOM 1146 O ILE A 123 -1.815 3.291 -11.636 1.00 0.00 O ATOM 1147 CB ILE A 123 -2.015 3.871 -8.236 1.00 0.00 C ATOM 1148 CG1 ILE A 123 -1.165 4.671 -7.236 1.00 0.00 C ATOM 1149 CG2 ILE A 123 -1.525 2.411 -8.296 1.00 0.00 C ATOM 1150 CD1 ILE A 123 -1.475 4.421 -5.756 1.00 0.00 C ATOM 0 H ILE A 123 -3.014 6.076 -8.600 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.869 4.692 -9.851 1.00 0.00 H new ATOM 0 HB ILE A 123 -3.060 3.834 -7.927 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.115 4.440 -7.413 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.297 5.733 -7.442 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.609 1.958 -7.308 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -2.135 1.851 -9.005 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.484 2.390 -8.617 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.819 5.035 -5.138 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.514 4.682 -5.553 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.313 3.369 -5.523 1.00 0.00 H new ATOM 1152 N PHE A 124 -3.875 3.711 -10.786 1.00 0.00 N ATOM 1153 CA PHE A 124 -4.645 2.981 -11.816 1.00 0.00 C ATOM 1154 C PHE A 124 -4.345 3.471 -13.246 1.00 0.00 C ATOM 1155 O PHE A 124 -4.035 2.661 -14.116 1.00 0.00 O ATOM 1156 CB PHE A 124 -6.155 3.041 -11.526 1.00 0.00 C ATOM 1157 CG PHE A 124 -6.585 2.321 -10.236 1.00 0.00 C ATOM 1158 CD1 PHE A 124 -5.825 1.231 -9.736 1.00 0.00 C ATOM 1159 CD2 PHE A 124 -7.625 2.881 -9.476 1.00 0.00 C ATOM 1160 CE1 PHE A 124 -6.065 0.761 -8.426 1.00 0.00 C ATOM 1161 CE2 PHE A 124 -7.875 2.411 -8.166 1.00 0.00 C ATOM 1162 CZ PHE A 124 -7.065 1.371 -7.646 1.00 0.00 C ATOM 0 H PHE A 124 -4.463 4.177 -10.094 1.00 0.00 H new ATOM 0 HA PHE A 124 -4.320 1.942 -11.764 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -6.459 4.086 -11.463 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -6.692 2.603 -12.368 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -5.070 0.765 -10.352 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.234 3.670 -9.892 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.487 -0.059 -8.027 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.670 2.837 -7.572 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.218 1.040 -6.630 1.00 0.00 H new