USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 721 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 94 SER OG : rot 180:sc= 0.0684 USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -113:sc= -0.98 (180deg=-4.15!) USER MOD Single : A 14 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.2) USER MOD Single : A 16 ASN : amide:sc= -0.271 K(o=-0.27,f=-1.5!) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0532 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -150:sc= -1.78 USER MOD Single : A 27 ASN : amide:sc= -1.25 K(o=-1.3,f=0.39) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 36 TYR OH : rot 174:sc= -1.32 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 32:sc= 0.931 USER MOD Single : A 53 HIS : no HD1:sc= -0.0771 X(o=-0.077,f=-0.43) USER MOD Single : A 54 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00357) USER MOD Single : A 62 ASN : amide:sc= -5.52! C(o=-5.5!,f=-4!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -5.27! C(o=-5.3!,f=-4.1!) USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= -0.259 (180deg=-1.29!) USER MOD Single : A 73 GLN : amide:sc= -0.689 K(o=-0.69,f=-11!) USER MOD Single : A 77 THR OG1 : rot -18:sc= -3.62! USER MOD Single : A 80 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.3) USER MOD Single : A 81 THR OG1 : rot -89:sc= -0.559 USER MOD Single : A 83 GLN : amide:sc= -0.766 K(o=-0.77,f=-3.7!) USER MOD Single : A 86 HIS : no HD1:sc= -0.601 X(o=-0.6,f=-0.3) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.09) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -22.865 2.892 -2.768 1.00 15.00 N ATOM 2 CA PRO A 1 -21.849 3.288 -1.756 1.00 15.00 C ATOM 3 C PRO A 1 -21.469 2.120 -0.847 1.00 15.00 C ATOM 4 O PRO A 1 -22.067 1.924 0.211 1.00 15.00 O ATOM 5 CB PRO A 1 -22.436 4.432 -0.935 1.00 15.00 C ATOM 6 CG PRO A 1 -23.852 4.526 -1.395 1.00 15.00 C ATOM 7 CD PRO A 1 -23.885 3.955 -2.792 1.00 15.00 C ATOM 0 H2 PRO A 1 -23.285 1.994 -2.526 1.00 15.00 H new ATOM 0 H3 PRO A 1 -22.436 2.783 -3.687 1.00 15.00 H new ATOM 0 HA PRO A 1 -20.935 3.601 -2.261 1.00 15.00 H new ATOM 0 HB2 PRO A 1 -22.378 4.226 0.134 1.00 15.00 H new ATOM 0 HB3 PRO A 1 -21.898 5.364 -1.110 1.00 15.00 H new ATOM 0 HG2 PRO A 1 -24.514 3.969 -0.732 1.00 15.00 H new ATOM 0 HG3 PRO A 1 -24.194 5.561 -1.390 1.00 15.00 H new ATOM 0 HD2 PRO A 1 -24.870 3.557 -3.037 1.00 15.00 H new ATOM 0 HD3 PRO A 1 -23.653 4.714 -3.539 1.00 15.00 H new ATOM 17 N LYS A 2 -20.473 1.347 -1.269 1.00 15.00 N ATOM 18 CA LYS A 2 -20.015 0.200 -0.494 1.00 15.00 C ATOM 19 C LYS A 2 -18.541 -0.089 -0.768 1.00 15.00 C ATOM 20 O LYS A 2 -18.067 0.074 -1.892 1.00 15.00 O ATOM 21 CB LYS A 2 -20.859 -1.032 -0.823 1.00 15.00 C ATOM 22 CG LYS A 2 -20.777 -1.454 -2.281 1.00 15.00 C ATOM 23 CD LYS A 2 -22.121 -1.942 -2.798 1.00 15.00 C ATOM 24 CE LYS A 2 -22.405 -1.417 -4.196 1.00 15.00 C ATOM 25 NZ LYS A 2 -22.079 -2.423 -5.245 1.00 15.00 N ATOM 0 H LYS A 2 -19.968 1.494 -2.143 1.00 15.00 H new ATOM 0 HA LYS A 2 -20.128 0.438 0.564 1.00 15.00 H new ATOM 0 HB2 LYS A 2 -20.536 -1.862 -0.195 1.00 15.00 H new ATOM 0 HB3 LYS A 2 -21.899 -0.827 -0.571 1.00 15.00 H new ATOM 0 HG2 LYS A 2 -20.437 -0.613 -2.885 1.00 15.00 H new ATOM 0 HG3 LYS A 2 -20.035 -2.245 -2.390 1.00 15.00 H new ATOM 0 HD2 LYS A 2 -22.134 -3.032 -2.808 1.00 15.00 H new ATOM 0 HD3 LYS A 2 -22.911 -1.620 -2.120 1.00 15.00 H new ATOM 0 HE2 LYS A 2 -23.456 -1.140 -4.273 1.00 15.00 H new ATOM 0 HE3 LYS A 2 -21.824 -0.511 -4.369 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 -22.287 -2.026 -6.183 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 -21.070 -2.669 -5.189 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 -22.652 -3.278 -5.096 1.00 15.00 H new ATOM 39 N PRO A 3 -17.793 -0.526 0.261 1.00 15.00 N ATOM 40 CA PRO A 3 -16.366 -0.838 0.124 1.00 15.00 C ATOM 41 C PRO A 3 -16.126 -2.103 -0.693 1.00 15.00 C ATOM 42 O PRO A 3 -17.002 -2.551 -1.431 1.00 15.00 O ATOM 43 CB PRO A 3 -15.905 -1.037 1.567 1.00 15.00 C ATOM 44 CG PRO A 3 -17.131 -1.456 2.303 1.00 15.00 C ATOM 45 CD PRO A 3 -18.278 -0.748 1.637 1.00 15.00 C ATOM 0 HA PRO A 3 -15.826 -0.052 -0.404 1.00 15.00 H new ATOM 0 HB2 PRO A 3 -15.125 -1.796 1.632 1.00 15.00 H new ATOM 0 HB3 PRO A 3 -15.490 -0.118 1.980 1.00 15.00 H new ATOM 0 HG2 PRO A 3 -17.262 -2.537 2.259 1.00 15.00 H new ATOM 0 HG3 PRO A 3 -17.065 -1.185 3.357 1.00 15.00 H new ATOM 0 HD2 PRO A 3 -19.185 -1.352 1.650 1.00 15.00 H new ATOM 0 HD3 PRO A 3 -18.514 0.192 2.136 1.00 15.00 H new ATOM 53 N GLY A 4 -14.931 -2.671 -0.563 1.00 15.00 N ATOM 54 CA GLY A 4 -14.601 -3.874 -1.302 1.00 15.00 C ATOM 55 C GLY A 4 -13.971 -3.568 -2.645 1.00 15.00 C ATOM 56 O GLY A 4 -13.249 -4.394 -3.204 1.00 15.00 O ATOM 0 H GLY A 4 -14.187 -2.320 0.040 1.00 15.00 H new ATOM 0 HA2 GLY A 4 -13.916 -4.484 -0.712 1.00 15.00 H new ATOM 0 HA3 GLY A 4 -15.505 -4.465 -1.453 1.00 15.00 H new ATOM 60 N ASP A 5 -14.243 -2.375 -3.163 1.00 15.00 N ATOM 61 CA ASP A 5 -13.696 -1.957 -4.448 1.00 15.00 C ATOM 62 C ASP A 5 -12.179 -1.902 -4.397 1.00 15.00 C ATOM 63 O ASP A 5 -11.586 -1.577 -3.368 1.00 15.00 O ATOM 64 CB ASP A 5 -14.259 -0.593 -4.851 1.00 15.00 C ATOM 65 CG ASP A 5 -15.730 -0.658 -5.211 1.00 15.00 C ATOM 66 OD1 ASP A 5 -16.095 -1.488 -6.070 1.00 15.00 O ATOM 67 OD2 ASP A 5 -16.518 0.120 -4.634 1.00 15.00 O ATOM 0 H ASP A 5 -14.839 -1.681 -2.712 1.00 15.00 H new ATOM 0 HA ASP A 5 -13.989 -2.693 -5.196 1.00 15.00 H new ATOM 0 HB2 ASP A 5 -14.119 0.111 -4.031 1.00 15.00 H new ATOM 0 HB3 ASP A 5 -13.696 -0.208 -5.701 1.00 15.00 H new ATOM 72 N ILE A 6 -11.564 -2.237 -5.518 1.00 15.00 N ATOM 73 CA ILE A 6 -10.118 -2.249 -5.629 1.00 15.00 C ATOM 74 C ILE A 6 -9.617 -1.039 -6.413 1.00 15.00 C ATOM 75 O ILE A 6 -10.233 -0.625 -7.394 1.00 15.00 O ATOM 76 CB ILE A 6 -9.652 -3.544 -6.328 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.325 -4.619 -5.292 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.445 -3.286 -7.228 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.466 -4.912 -4.341 1.00 15.00 C ATOM 0 H ILE A 6 -12.051 -2.507 -6.372 1.00 15.00 H new ATOM 0 HA ILE A 6 -9.703 -2.206 -4.622 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.468 -3.898 -6.958 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -9.049 -5.538 -5.809 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.455 -4.304 -4.716 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.141 -4.218 -7.706 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.711 -2.556 -7.993 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.620 -2.900 -6.629 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -10.162 -5.684 -3.635 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.728 -4.005 -3.796 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -11.331 -5.258 -4.906 1.00 15.00 H new ATOM 91 N PHE A 7 -8.484 -0.494 -5.988 1.00 15.00 N ATOM 92 CA PHE A 7 -7.892 0.647 -6.670 1.00 15.00 C ATOM 93 C PHE A 7 -6.373 0.510 -6.725 1.00 15.00 C ATOM 94 O PHE A 7 -5.789 -0.291 -5.997 1.00 15.00 O ATOM 95 CB PHE A 7 -8.299 1.961 -5.990 1.00 15.00 C ATOM 96 CG PHE A 7 -7.501 2.298 -4.760 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.204 2.777 -4.867 1.00 15.00 C ATOM 98 CD2 PHE A 7 -8.052 2.145 -3.498 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.473 3.094 -3.740 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.325 2.462 -2.367 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.034 2.937 -2.488 1.00 15.00 C ATOM 0 H PHE A 7 -7.959 -0.823 -5.177 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.269 0.668 -7.692 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.197 2.774 -6.708 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.353 1.905 -5.720 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.761 2.903 -5.844 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.061 1.774 -3.397 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.463 3.464 -3.837 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.766 2.338 -1.389 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.464 3.185 -1.605 1.00 15.00 H new ATOM 111 N GLU A 8 -5.742 1.285 -7.599 1.00 15.00 N ATOM 112 CA GLU A 8 -4.292 1.237 -7.756 1.00 15.00 C ATOM 113 C GLU A 8 -3.676 2.629 -7.677 1.00 15.00 C ATOM 114 O GLU A 8 -4.245 3.607 -8.163 1.00 15.00 O ATOM 115 CB GLU A 8 -3.933 0.601 -9.095 1.00 15.00 C ATOM 116 CG GLU A 8 -4.666 1.220 -10.266 1.00 15.00 C ATOM 117 CD GLU A 8 -4.557 0.390 -11.531 1.00 15.00 C ATOM 118 OE1 GLU A 8 -4.637 -0.853 -11.434 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.393 0.983 -12.618 1.00 15.00 O ATOM 0 H GLU A 8 -6.211 1.954 -8.210 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.890 0.636 -6.940 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.859 0.693 -9.257 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.159 -0.465 -9.056 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.718 1.343 -10.007 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.265 2.216 -10.454 1.00 15.00 H new ATOM 126 N VAL A 9 -2.498 2.694 -7.076 1.00 15.00 N ATOM 127 CA VAL A 9 -1.763 3.945 -6.936 1.00 15.00 C ATOM 128 C VAL A 9 -0.654 4.011 -7.976 1.00 15.00 C ATOM 129 O VAL A 9 0.270 3.198 -7.966 1.00 15.00 O ATOM 130 CB VAL A 9 -1.171 4.117 -5.507 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.292 2.831 -4.704 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.283 4.576 -5.553 1.00 15.00 C ATOM 0 H VAL A 9 -2.025 1.886 -6.673 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.465 4.763 -7.097 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.754 4.892 -5.010 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.870 2.981 -3.710 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.343 2.556 -4.614 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.750 2.033 -5.211 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.662 4.685 -4.537 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.881 3.837 -6.086 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.346 5.534 -6.069 1.00 15.00 H new ATOM 142 N GLU A 10 -0.760 4.969 -8.881 1.00 15.00 N ATOM 143 CA GLU A 10 0.227 5.123 -9.935 1.00 15.00 C ATOM 144 C GLU A 10 1.135 6.322 -9.687 1.00 15.00 C ATOM 145 O GLU A 10 1.065 7.325 -10.397 1.00 15.00 O ATOM 146 CB GLU A 10 -0.478 5.258 -11.280 1.00 15.00 C ATOM 147 CG GLU A 10 0.467 5.474 -12.451 1.00 15.00 C ATOM 148 CD GLU A 10 -0.068 4.895 -13.746 1.00 15.00 C ATOM 149 OE1 GLU A 10 -0.296 3.668 -13.797 1.00 15.00 O ATOM 150 OE2 GLU A 10 -0.258 5.668 -14.709 1.00 15.00 O ATOM 0 H GLU A 10 -1.518 5.651 -8.907 1.00 15.00 H new ATOM 0 HA GLU A 10 0.858 4.234 -9.942 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -1.067 4.359 -11.462 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -1.177 6.093 -11.231 1.00 15.00 H new ATOM 0 HG2 GLU A 10 0.642 6.542 -12.580 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.431 5.018 -12.224 1.00 15.00 H new ATOM 157 N LEU A 11 1.998 6.204 -8.686 1.00 15.00 N ATOM 158 CA LEU A 11 2.932 7.272 -8.359 1.00 15.00 C ATOM 159 C LEU A 11 4.210 7.116 -9.173 1.00 15.00 C ATOM 160 O LEU A 11 4.447 6.066 -9.766 1.00 15.00 O ATOM 161 CB LEU A 11 3.257 7.262 -6.863 1.00 15.00 C ATOM 162 CG LEU A 11 3.314 8.641 -6.203 1.00 15.00 C ATOM 163 CD1 LEU A 11 1.971 9.345 -6.315 1.00 15.00 C ATOM 164 CD2 LEU A 11 3.731 8.514 -4.745 1.00 15.00 C ATOM 0 H LEU A 11 2.070 5.381 -8.088 1.00 15.00 H new ATOM 0 HA LEU A 11 2.468 8.227 -8.606 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.508 6.660 -6.348 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.217 6.767 -6.719 1.00 15.00 H new ATOM 0 HG LEU A 11 4.059 9.242 -6.725 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.033 10.324 -5.840 1.00 15.00 H new ATOM 0 HD12 LEU A 11 1.711 9.468 -7.366 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.205 8.748 -5.819 1.00 15.00 H new ATOM 0 HD21 LEU A 11 3.767 9.504 -4.289 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.009 7.895 -4.213 1.00 15.00 H new ATOM 0 HD23 LEU A 11 4.717 8.052 -4.687 1.00 15.00 H new ATOM 176 N ALA A 12 5.030 8.159 -9.206 1.00 15.00 N ATOM 177 CA ALA A 12 6.278 8.114 -9.958 1.00 15.00 C ATOM 178 C ALA A 12 7.448 7.738 -9.058 1.00 15.00 C ATOM 179 O ALA A 12 8.047 8.595 -8.408 1.00 15.00 O ATOM 180 CB ALA A 12 6.541 9.447 -10.638 1.00 15.00 C ATOM 0 H ALA A 12 4.855 9.041 -8.724 1.00 15.00 H new ATOM 0 HA ALA A 12 6.179 7.345 -10.724 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.477 9.393 -11.194 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.724 9.673 -11.323 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.611 10.232 -9.885 1.00 15.00 H new ATOM 186 N LYS A 13 7.766 6.449 -9.026 1.00 15.00 N ATOM 187 CA LYS A 13 8.864 5.948 -8.209 1.00 15.00 C ATOM 188 C LYS A 13 10.161 6.693 -8.515 1.00 15.00 C ATOM 189 O LYS A 13 11.032 6.825 -7.655 1.00 15.00 O ATOM 190 CB LYS A 13 9.045 4.447 -8.443 1.00 15.00 C ATOM 191 CG LYS A 13 9.539 3.698 -7.219 1.00 15.00 C ATOM 192 CD LYS A 13 10.920 4.168 -6.799 1.00 15.00 C ATOM 193 CE LYS A 13 10.852 5.048 -5.561 1.00 15.00 C ATOM 194 NZ LYS A 13 12.204 5.484 -5.112 1.00 15.00 N ATOM 0 H LYS A 13 7.277 5.730 -9.559 1.00 15.00 H new ATOM 0 HA LYS A 13 8.618 6.119 -7.161 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.094 4.020 -8.761 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.751 4.297 -9.260 1.00 15.00 H new ATOM 0 HG2 LYS A 13 8.839 3.842 -6.396 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.566 2.629 -7.432 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.555 3.305 -6.600 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.382 4.722 -7.616 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.240 5.925 -5.772 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.361 4.503 -4.755 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 12.422 5.047 -4.194 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 12.914 5.190 -5.813 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 12.221 6.519 -5.015 1.00 15.00 H new ATOM 208 N ASN A 14 10.280 7.185 -9.742 1.00 15.00 N ATOM 209 CA ASN A 14 11.468 7.921 -10.157 1.00 15.00 C ATOM 210 C ASN A 14 11.357 9.388 -9.757 1.00 15.00 C ATOM 211 O ASN A 14 10.255 9.910 -9.586 1.00 15.00 O ATOM 212 CB ASN A 14 11.662 7.809 -11.671 1.00 15.00 C ATOM 213 CG ASN A 14 12.519 6.621 -12.060 1.00 15.00 C ATOM 214 OD1 ASN A 14 13.532 6.336 -11.421 1.00 15.00 O ATOM 215 ND2 ASN A 14 12.116 5.922 -13.114 1.00 15.00 N ATOM 0 H ASN A 14 9.569 7.088 -10.467 1.00 15.00 H new ATOM 0 HA ASN A 14 12.332 7.485 -9.655 1.00 15.00 H new ATOM 0 HB2 ASN A 14 10.688 7.724 -12.154 1.00 15.00 H new ATOM 0 HB3 ASN A 14 12.124 8.723 -12.044 1.00 15.00 H new ATOM 0 HD21 ASN A 14 12.653 5.112 -13.424 1.00 15.00 H new ATOM 0 HD22 ASN A 14 11.270 6.195 -13.614 1.00 15.00 H new ATOM 222 N ASP A 15 12.507 10.043 -9.595 1.00 15.00 N ATOM 223 CA ASP A 15 12.557 11.453 -9.198 1.00 15.00 C ATOM 224 C ASP A 15 12.454 11.593 -7.681 1.00 15.00 C ATOM 225 O ASP A 15 13.181 12.377 -7.070 1.00 15.00 O ATOM 226 CB ASP A 15 11.443 12.257 -9.876 1.00 15.00 C ATOM 227 CG ASP A 15 11.748 13.742 -9.925 1.00 15.00 C ATOM 228 OD1 ASP A 15 12.210 14.286 -8.901 1.00 15.00 O ATOM 229 OD2 ASP A 15 11.525 14.359 -10.987 1.00 15.00 O ATOM 0 H ASP A 15 13.423 9.617 -9.733 1.00 15.00 H new ATOM 0 HA ASP A 15 13.517 11.853 -9.523 1.00 15.00 H new ATOM 0 HB2 ASP A 15 11.296 11.885 -10.890 1.00 15.00 H new ATOM 0 HB3 ASP A 15 10.507 12.099 -9.340 1.00 15.00 H new ATOM 234 N ASN A 16 11.552 10.825 -7.078 1.00 15.00 N ATOM 235 CA ASN A 16 11.356 10.855 -5.635 1.00 15.00 C ATOM 236 C ASN A 16 10.769 9.532 -5.151 1.00 15.00 C ATOM 237 O ASN A 16 9.975 8.903 -5.851 1.00 15.00 O ATOM 238 CB ASN A 16 10.437 12.017 -5.244 1.00 15.00 C ATOM 239 CG ASN A 16 11.107 12.987 -4.291 1.00 15.00 C ATOM 240 OD1 ASN A 16 12.332 13.096 -4.258 1.00 15.00 O ATOM 241 ND2 ASN A 16 10.303 13.697 -3.508 1.00 15.00 N ATOM 0 H ASN A 16 10.943 10.171 -7.570 1.00 15.00 H new ATOM 0 HA ASN A 16 12.325 11.002 -5.158 1.00 15.00 H new ATOM 0 HB2 ASN A 16 10.127 12.550 -6.143 1.00 15.00 H new ATOM 0 HB3 ASN A 16 9.533 11.622 -4.780 1.00 15.00 H new ATOM 0 HD21 ASN A 16 10.696 14.365 -2.845 1.00 15.00 H new ATOM 0 HD22 ASN A 16 9.292 13.574 -3.569 1.00 15.00 H new ATOM 248 N SER A 17 11.166 9.113 -3.955 1.00 15.00 N ATOM 249 CA SER A 17 10.680 7.860 -3.388 1.00 15.00 C ATOM 250 C SER A 17 9.363 8.071 -2.656 1.00 15.00 C ATOM 251 O SER A 17 8.704 9.095 -2.827 1.00 15.00 O ATOM 252 CB SER A 17 11.711 7.272 -2.424 1.00 15.00 C ATOM 253 OG SER A 17 12.885 8.066 -2.379 1.00 15.00 O ATOM 0 H SER A 17 11.821 9.621 -3.360 1.00 15.00 H new ATOM 0 HA SER A 17 10.519 7.163 -4.210 1.00 15.00 H new ATOM 0 HB2 SER A 17 11.279 7.200 -1.426 1.00 15.00 H new ATOM 0 HB3 SER A 17 11.966 6.259 -2.735 1.00 15.00 H new ATOM 0 HG SER A 17 13.526 7.667 -1.754 1.00 15.00 H new ATOM 259 N LEU A 18 8.986 7.097 -1.837 1.00 15.00 N ATOM 260 CA LEU A 18 7.750 7.185 -1.079 1.00 15.00 C ATOM 261 C LEU A 18 8.006 7.772 0.305 1.00 15.00 C ATOM 262 O LEU A 18 9.099 8.262 0.589 1.00 15.00 O ATOM 263 CB LEU A 18 7.096 5.805 -0.955 1.00 15.00 C ATOM 264 CG LEU A 18 6.869 5.071 -2.280 1.00 15.00 C ATOM 265 CD1 LEU A 18 6.183 5.982 -3.287 1.00 15.00 C ATOM 266 CD2 LEU A 18 8.188 4.556 -2.836 1.00 15.00 C ATOM 0 H LEU A 18 9.518 6.241 -1.683 1.00 15.00 H new ATOM 0 HA LEU A 18 7.070 7.847 -1.615 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.719 5.181 -0.314 1.00 15.00 H new ATOM 0 HB3 LEU A 18 6.136 5.919 -0.452 1.00 15.00 H new ATOM 0 HG LEU A 18 6.218 4.217 -2.093 1.00 15.00 H new ATOM 0 HD11 LEU A 18 6.031 5.442 -4.222 1.00 15.00 H new ATOM 0 HD12 LEU A 18 5.219 6.301 -2.891 1.00 15.00 H new ATOM 0 HD13 LEU A 18 6.807 6.856 -3.471 1.00 15.00 H new ATOM 0 HD21 LEU A 18 8.008 4.037 -3.778 1.00 15.00 H new ATOM 0 HD22 LEU A 18 8.863 5.395 -3.007 1.00 15.00 H new ATOM 0 HD23 LEU A 18 8.639 3.867 -2.122 1.00 15.00 H new ATOM 278 N GLY A 19 6.992 7.725 1.159 1.00 15.00 N ATOM 279 CA GLY A 19 7.127 8.261 2.499 1.00 15.00 C ATOM 280 C GLY A 19 5.969 7.878 3.389 1.00 15.00 C ATOM 281 O GLY A 19 5.443 8.710 4.121 1.00 15.00 O ATOM 0 H GLY A 19 6.078 7.325 0.947 1.00 15.00 H new ATOM 0 HA2 GLY A 19 8.056 7.900 2.940 1.00 15.00 H new ATOM 0 HA3 GLY A 19 7.199 9.347 2.448 1.00 15.00 H new ATOM 285 N ILE A 20 5.564 6.619 3.314 1.00 15.00 N ATOM 286 CA ILE A 20 4.456 6.122 4.115 1.00 15.00 C ATOM 287 C ILE A 20 4.927 5.108 5.154 1.00 15.00 C ATOM 288 O ILE A 20 5.751 4.242 4.864 1.00 15.00 O ATOM 289 CB ILE A 20 3.368 5.489 3.217 1.00 15.00 C ATOM 290 CG1 ILE A 20 2.037 6.189 3.447 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.227 4.001 3.484 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.847 5.448 2.887 1.00 15.00 C ATOM 0 H ILE A 20 5.988 5.920 2.704 1.00 15.00 H new ATOM 0 HA ILE A 20 4.028 6.976 4.641 1.00 15.00 H new ATOM 0 HB ILE A 20 3.670 5.616 2.177 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.893 6.330 4.518 1.00 15.00 H new ATOM 0 HG13 ILE A 20 2.078 7.181 2.998 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.454 3.587 2.837 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.175 3.503 3.281 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.950 3.843 4.526 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.063 6.012 3.092 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.966 5.330 1.810 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.778 4.465 3.354 1.00 15.00 H new ATOM 304 N SER A 21 4.366 5.201 6.353 1.00 15.00 N ATOM 305 CA SER A 21 4.695 4.268 7.420 1.00 15.00 C ATOM 306 C SER A 21 3.643 3.165 7.442 1.00 15.00 C ATOM 307 O SER A 21 2.503 3.393 7.846 1.00 15.00 O ATOM 308 CB SER A 21 4.756 4.991 8.769 1.00 15.00 C ATOM 309 OG SER A 21 4.836 4.067 9.841 1.00 15.00 O ATOM 0 H SER A 21 3.682 5.913 6.610 1.00 15.00 H new ATOM 0 HA SER A 21 5.677 3.831 7.239 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.621 5.654 8.791 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.872 5.617 8.890 1.00 15.00 H new ATOM 0 HG SER A 21 4.875 4.554 10.690 1.00 15.00 H new ATOM 315 N VAL A 22 4.014 1.983 6.960 1.00 15.00 N ATOM 316 CA VAL A 22 3.073 0.870 6.882 1.00 15.00 C ATOM 317 C VAL A 22 3.138 -0.043 8.102 1.00 15.00 C ATOM 318 O VAL A 22 4.157 -0.115 8.790 1.00 15.00 O ATOM 319 CB VAL A 22 3.312 0.037 5.604 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.381 0.943 4.385 1.00 15.00 C ATOM 321 CG2 VAL A 22 4.585 -0.792 5.721 1.00 15.00 C ATOM 0 H VAL A 22 4.952 1.771 6.620 1.00 15.00 H new ATOM 0 HA VAL A 22 2.078 1.314 6.852 1.00 15.00 H new ATOM 0 HB VAL A 22 2.472 -0.647 5.485 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.550 0.340 3.493 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.442 1.487 4.283 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.200 1.652 4.504 1.00 15.00 H new ATOM 0 HG21 VAL A 22 4.729 -1.369 4.807 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.438 -0.130 5.870 1.00 15.00 H new ATOM 0 HG23 VAL A 22 4.500 -1.471 6.569 1.00 15.00 H new ATOM 331 N THR A 23 2.030 -0.736 8.363 1.00 15.00 N ATOM 332 CA THR A 23 1.940 -1.645 9.500 1.00 15.00 C ATOM 333 C THR A 23 0.987 -2.811 9.212 1.00 15.00 C ATOM 334 O THR A 23 0.055 -2.689 8.418 1.00 15.00 O ATOM 335 CB THR A 23 1.462 -0.876 10.735 1.00 15.00 C ATOM 336 OG1 THR A 23 1.537 0.521 10.517 1.00 15.00 O ATOM 337 CG2 THR A 23 2.258 -1.184 11.981 1.00 15.00 C ATOM 0 H THR A 23 1.181 -0.683 7.800 1.00 15.00 H new ATOM 0 HA THR A 23 2.931 -2.060 9.683 1.00 15.00 H new ATOM 0 HB THR A 23 0.433 -1.200 10.891 1.00 15.00 H new ATOM 0 HG1 THR A 23 1.701 0.977 11.369 1.00 15.00 H new ATOM 0 HG21 THR A 23 1.865 -0.605 12.816 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.181 -2.247 12.209 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.304 -0.923 11.819 1.00 15.00 H new ATOM 345 N GLY A 24 1.216 -3.939 9.873 1.00 15.00 N ATOM 346 CA GLY A 24 0.349 -5.090 9.689 1.00 15.00 C ATOM 347 C GLY A 24 0.446 -5.700 8.305 1.00 15.00 C ATOM 348 O GLY A 24 0.185 -5.030 7.307 1.00 15.00 O ATOM 0 H GLY A 24 1.983 -4.078 10.531 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.601 -5.848 10.431 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.683 -4.792 9.875 1.00 15.00 H new ATOM 352 N GLY A 25 0.805 -6.977 8.248 1.00 15.00 N ATOM 353 CA GLY A 25 0.914 -7.666 6.975 1.00 15.00 C ATOM 354 C GLY A 25 1.007 -9.171 7.137 1.00 15.00 C ATOM 355 O GLY A 25 0.423 -9.922 6.356 1.00 15.00 O ATOM 0 H GLY A 25 1.023 -7.550 9.063 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.049 -7.423 6.358 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.795 -7.305 6.444 1.00 15.00 H new ATOM 359 N VAL A 26 1.746 -9.611 8.156 1.00 15.00 N ATOM 360 CA VAL A 26 1.924 -11.039 8.437 1.00 15.00 C ATOM 361 C VAL A 26 0.625 -11.817 8.244 1.00 15.00 C ATOM 362 O VAL A 26 -0.461 -11.239 8.234 1.00 15.00 O ATOM 363 CB VAL A 26 2.424 -11.269 9.879 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.944 -11.278 9.930 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.861 -10.210 10.812 1.00 15.00 C ATOM 0 H VAL A 26 2.235 -8.995 8.806 1.00 15.00 H new ATOM 0 HA VAL A 26 2.669 -11.401 7.729 1.00 15.00 H new ATOM 0 HB VAL A 26 2.070 -12.245 10.212 1.00 15.00 H new ATOM 0 HG11 VAL A 26 4.273 -11.442 10.956 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.325 -12.078 9.295 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.326 -10.321 9.575 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.224 -10.387 11.825 1.00 15.00 H new ATOM 0 HG22 VAL A 26 2.183 -9.223 10.479 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.772 -10.259 10.803 1.00 15.00 H new ATOM 375 N ASN A 27 0.745 -13.132 8.093 1.00 15.00 N ATOM 376 CA ASN A 27 -0.420 -13.988 7.902 1.00 15.00 C ATOM 377 C ASN A 27 -1.023 -14.397 9.244 1.00 15.00 C ATOM 378 O ASN A 27 -1.233 -15.581 9.508 1.00 15.00 O ATOM 379 CB ASN A 27 -0.037 -15.234 7.100 1.00 15.00 C ATOM 380 CG ASN A 27 0.785 -14.899 5.871 1.00 15.00 C ATOM 381 OD1 ASN A 27 0.247 -14.740 4.775 1.00 15.00 O ATOM 382 ND2 ASN A 27 2.096 -14.790 6.047 1.00 15.00 N ATOM 0 H ASN A 27 1.636 -13.628 8.099 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.168 -13.422 7.347 1.00 15.00 H new ATOM 0 HB2 ASN A 27 0.528 -15.914 7.738 1.00 15.00 H new ATOM 0 HB3 ASN A 27 -0.942 -15.760 6.796 1.00 15.00 H new ATOM 0 HD21 ASN A 27 2.700 -14.566 5.256 1.00 15.00 H new ATOM 0 HD22 ASN A 27 2.500 -14.930 6.973 1.00 15.00 H new ATOM 389 N THR A 28 -1.302 -13.408 10.088 1.00 15.00 N ATOM 390 CA THR A 28 -1.883 -13.663 11.401 1.00 15.00 C ATOM 391 C THR A 28 -2.719 -12.475 11.863 1.00 15.00 C ATOM 392 O THR A 28 -3.912 -12.610 12.135 1.00 15.00 O ATOM 393 CB THR A 28 -0.783 -13.956 12.422 1.00 15.00 C ATOM 394 OG1 THR A 28 0.219 -14.782 11.856 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.293 -14.644 13.671 1.00 15.00 C ATOM 0 H THR A 28 -1.135 -12.422 9.885 1.00 15.00 H new ATOM 0 HA THR A 28 -2.533 -14.534 11.321 1.00 15.00 H new ATOM 0 HB THR A 28 -0.381 -12.982 12.701 1.00 15.00 H new ATOM 0 HG1 THR A 28 0.914 -14.957 12.524 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.462 -14.823 14.353 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.033 -14.010 14.159 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.752 -15.595 13.401 1.00 15.00 H new ATOM 403 N SER A 29 -2.085 -11.310 11.949 1.00 15.00 N ATOM 404 CA SER A 29 -2.770 -10.096 12.377 1.00 15.00 C ATOM 405 C SER A 29 -3.778 -9.643 11.327 1.00 15.00 C ATOM 406 O SER A 29 -4.947 -9.408 11.634 1.00 15.00 O ATOM 407 CB SER A 29 -1.758 -8.980 12.644 1.00 15.00 C ATOM 408 OG SER A 29 -1.239 -9.066 13.960 1.00 15.00 O ATOM 0 H SER A 29 -1.098 -11.181 11.728 1.00 15.00 H new ATOM 0 HA SER A 29 -3.307 -10.318 13.299 1.00 15.00 H new ATOM 0 HB2 SER A 29 -0.943 -9.044 11.923 1.00 15.00 H new ATOM 0 HB3 SER A 29 -2.235 -8.010 12.500 1.00 15.00 H new ATOM 0 HG SER A 29 -0.594 -8.343 14.105 1.00 15.00 H new ATOM 414 N VAL A 30 -3.318 -9.524 10.086 1.00 15.00 N ATOM 415 CA VAL A 30 -4.180 -9.102 8.988 1.00 15.00 C ATOM 416 C VAL A 30 -4.880 -10.300 8.353 1.00 15.00 C ATOM 417 O VAL A 30 -4.849 -11.405 8.894 1.00 15.00 O ATOM 418 CB VAL A 30 -3.383 -8.340 7.909 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.640 -7.165 8.527 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.416 -9.272 7.190 1.00 15.00 C ATOM 0 H VAL A 30 -2.353 -9.714 9.815 1.00 15.00 H new ATOM 0 HA VAL A 30 -4.930 -8.431 9.407 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.088 -7.953 7.173 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.083 -6.638 7.752 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.356 -6.483 8.986 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -1.948 -7.530 9.286 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -1.865 -8.712 6.434 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -1.716 -9.695 7.910 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -2.974 -10.076 6.711 1.00 15.00 H new ATOM 430 N ARG A 31 -5.514 -10.076 7.207 1.00 15.00 N ATOM 431 CA ARG A 31 -6.221 -11.143 6.508 1.00 15.00 C ATOM 432 C ARG A 31 -5.324 -11.805 5.467 1.00 15.00 C ATOM 433 O ARG A 31 -4.767 -11.138 4.596 1.00 15.00 O ATOM 434 CB ARG A 31 -7.482 -10.600 5.833 1.00 15.00 C ATOM 435 CG ARG A 31 -8.228 -9.567 6.663 1.00 15.00 C ATOM 436 CD ARG A 31 -9.093 -10.225 7.726 1.00 15.00 C ATOM 437 NE ARG A 31 -10.388 -9.564 7.865 1.00 15.00 N ATOM 438 CZ ARG A 31 -11.346 -9.977 8.692 1.00 15.00 C ATOM 439 NH1 ARG A 31 -11.156 -11.046 9.455 1.00 15.00 N ATOM 440 NH2 ARG A 31 -12.495 -9.318 8.757 1.00 15.00 N ATOM 0 H ARG A 31 -5.553 -9.168 6.744 1.00 15.00 H new ATOM 0 HA ARG A 31 -6.506 -11.892 7.247 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -7.207 -10.154 4.877 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -8.153 -11.431 5.616 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -7.513 -8.896 7.139 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -8.853 -8.957 6.011 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -9.247 -11.273 7.470 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -8.571 -10.204 8.682 1.00 15.00 H new ATOM 0 HE ARG A 31 -10.569 -8.738 7.295 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -10.273 -11.555 9.409 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -11.893 -11.359 10.087 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -12.645 -8.495 8.173 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -13.229 -9.634 9.391 1.00 15.00 H new ATOM 454 N HIS A 32 -5.199 -13.124 5.562 1.00 15.00 N ATOM 455 CA HIS A 32 -4.380 -13.890 4.629 1.00 15.00 C ATOM 456 C HIS A 32 -2.913 -13.468 4.694 1.00 15.00 C ATOM 457 O HIS A 32 -2.095 -14.131 5.331 1.00 15.00 O ATOM 458 CB HIS A 32 -4.910 -13.725 3.202 1.00 15.00 C ATOM 459 CG HIS A 32 -6.261 -14.334 2.991 1.00 15.00 C ATOM 460 ND1 HIS A 32 -7.429 -13.745 3.429 1.00 15.00 N ATOM 461 CD2 HIS A 32 -6.628 -15.486 2.381 1.00 15.00 C ATOM 462 CE1 HIS A 32 -8.455 -14.509 3.099 1.00 15.00 C ATOM 463 NE2 HIS A 32 -7.996 -15.571 2.462 1.00 15.00 N ATOM 0 H HIS A 32 -5.656 -13.687 6.279 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.441 -14.939 4.917 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.958 -12.663 2.962 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -4.204 -14.178 2.506 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -5.968 -16.204 1.917 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -9.493 -14.301 3.314 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -8.566 -16.331 2.090 1.00 15.00 H new ATOM 472 N GLY A 33 -2.585 -12.368 4.023 1.00 15.00 N ATOM 473 CA GLY A 33 -1.216 -11.884 4.008 1.00 15.00 C ATOM 474 C GLY A 33 -1.079 -10.560 3.284 1.00 15.00 C ATOM 475 O GLY A 33 -0.061 -10.300 2.643 1.00 15.00 O ATOM 0 H GLY A 33 -3.244 -11.802 3.488 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.862 -11.773 5.033 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.577 -12.625 3.528 1.00 15.00 H new ATOM 479 N GLY A 34 -2.099 -9.715 3.400 1.00 15.00 N ATOM 480 CA GLY A 34 -2.059 -8.414 2.764 1.00 15.00 C ATOM 481 C GLY A 34 -1.575 -7.363 3.732 1.00 15.00 C ATOM 482 O GLY A 34 -1.649 -7.564 4.945 1.00 15.00 O ATOM 0 H GLY A 34 -2.952 -9.910 3.924 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.400 -8.448 1.896 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.052 -8.151 2.400 1.00 15.00 H new ATOM 486 N ILE A 35 -1.067 -6.248 3.225 1.00 15.00 N ATOM 487 CA ILE A 35 -0.572 -5.208 4.114 1.00 15.00 C ATOM 488 C ILE A 35 -1.564 -4.069 4.267 1.00 15.00 C ATOM 489 O ILE A 35 -2.368 -3.797 3.376 1.00 15.00 O ATOM 490 CB ILE A 35 0.794 -4.655 3.656 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.704 -4.454 4.875 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.639 -3.367 2.848 1.00 15.00 C ATOM 493 CD1 ILE A 35 1.583 -3.099 5.539 1.00 15.00 C ATOM 0 H ILE A 35 -0.988 -6.043 2.229 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.441 -5.683 5.087 1.00 15.00 H new ATOM 0 HB ILE A 35 1.259 -5.383 2.991 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.478 -5.225 5.611 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.739 -4.601 4.567 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.622 -3.008 2.543 1.00 15.00 H new ATOM 0 HG22 ILE A 35 0.034 -3.563 1.963 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.150 -2.610 3.461 1.00 15.00 H new ATOM 0 HD11 ILE A 35 2.263 -3.049 6.390 1.00 15.00 H new ATOM 0 HD12 ILE A 35 1.840 -2.319 4.823 1.00 15.00 H new ATOM 0 HD13 ILE A 35 0.559 -2.953 5.883 1.00 15.00 H new ATOM 505 N TYR A 36 -1.482 -3.402 5.406 1.00 15.00 N ATOM 506 CA TYR A 36 -2.351 -2.278 5.697 1.00 15.00 C ATOM 507 C TYR A 36 -1.520 -1.128 6.240 1.00 15.00 C ATOM 508 O TYR A 36 -1.019 -1.190 7.358 1.00 15.00 O ATOM 509 CB TYR A 36 -3.429 -2.683 6.704 1.00 15.00 C ATOM 510 CG TYR A 36 -4.447 -3.659 6.152 1.00 15.00 C ATOM 511 CD1 TYR A 36 -4.079 -4.947 5.768 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.779 -3.292 6.017 1.00 15.00 C ATOM 513 CE1 TYR A 36 -5.012 -5.834 5.268 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.717 -4.175 5.517 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.329 -5.445 5.144 1.00 15.00 C ATOM 516 OH TYR A 36 -7.259 -6.331 4.647 1.00 15.00 O ATOM 0 H TYR A 36 -0.817 -3.623 6.148 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.848 -1.960 4.780 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.949 -3.127 7.576 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.947 -1.787 7.047 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -3.049 -5.256 5.863 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.088 -2.299 6.308 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.711 -6.829 4.975 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.749 -3.872 5.419 1.00 15.00 H new ATOM 0 HH TYR A 36 -8.154 -5.937 4.714 1.00 15.00 H new ATOM 526 N VAL A 37 -1.351 -0.085 5.443 1.00 15.00 N ATOM 527 CA VAL A 37 -0.537 1.046 5.872 1.00 15.00 C ATOM 528 C VAL A 37 -1.025 1.599 7.204 1.00 15.00 C ATOM 529 O VAL A 37 -2.100 1.245 7.684 1.00 15.00 O ATOM 530 CB VAL A 37 -0.465 2.192 4.815 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.694 1.681 3.408 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.431 3.327 5.112 1.00 15.00 C ATOM 0 H VAL A 37 -1.757 0.004 4.512 1.00 15.00 H new ATOM 0 HA VAL A 37 0.474 0.655 5.989 1.00 15.00 H new ATOM 0 HB VAL A 37 0.548 2.587 4.884 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.635 2.512 2.705 1.00 15.00 H new ATOM 0 HG12 VAL A 37 0.068 0.942 3.161 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.680 1.221 3.344 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.337 4.095 4.344 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.451 2.944 5.119 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.198 3.757 6.086 1.00 15.00 H new ATOM 542 N LYS A 38 -0.235 2.482 7.786 1.00 15.00 N ATOM 543 CA LYS A 38 -0.591 3.105 9.048 1.00 15.00 C ATOM 544 C LYS A 38 -1.133 4.499 8.771 1.00 15.00 C ATOM 545 O LYS A 38 -2.199 4.875 9.255 1.00 15.00 O ATOM 546 CB LYS A 38 0.620 3.128 9.998 1.00 15.00 C ATOM 547 CG LYS A 38 1.195 4.508 10.300 1.00 15.00 C ATOM 548 CD LYS A 38 1.665 4.598 11.742 1.00 15.00 C ATOM 549 CE LYS A 38 0.737 5.468 12.575 1.00 15.00 C ATOM 550 NZ LYS A 38 0.615 4.969 13.973 1.00 15.00 N ATOM 0 H LYS A 38 0.661 2.785 7.404 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.368 2.527 9.548 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.330 2.661 10.939 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.409 2.512 9.567 1.00 15.00 H new ATOM 0 HG2 LYS A 38 2.029 4.714 9.629 1.00 15.00 H new ATOM 0 HG3 LYS A 38 0.439 5.270 10.112 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.714 3.598 12.173 1.00 15.00 H new ATOM 0 HD3 LYS A 38 2.675 5.008 11.772 1.00 15.00 H new ATOM 0 HE2 LYS A 38 1.112 6.492 12.586 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -0.249 5.495 12.112 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 -0.026 5.589 14.508 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 0.234 4.001 13.964 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 1.552 4.968 14.424 1.00 15.00 H new ATOM 564 N ALA A 39 -0.391 5.252 7.969 1.00 15.00 N ATOM 565 CA ALA A 39 -0.788 6.597 7.596 1.00 15.00 C ATOM 566 C ALA A 39 0.144 7.137 6.523 1.00 15.00 C ATOM 567 O ALA A 39 1.155 6.512 6.209 1.00 15.00 O ATOM 568 CB ALA A 39 -0.797 7.502 8.816 1.00 15.00 C ATOM 0 H ALA A 39 0.494 4.948 7.564 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.799 6.569 7.189 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -1.097 8.508 8.521 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.502 7.114 9.551 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.201 7.534 9.252 1.00 15.00 H new ATOM 574 N VAL A 40 -0.180 8.304 5.982 1.00 15.00 N ATOM 575 CA VAL A 40 0.658 8.918 4.957 1.00 15.00 C ATOM 576 C VAL A 40 1.589 9.930 5.610 1.00 15.00 C ATOM 577 O VAL A 40 1.170 11.015 6.013 1.00 15.00 O ATOM 578 CB VAL A 40 -0.171 9.611 3.851 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.291 8.715 2.625 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.546 9.994 4.366 1.00 15.00 C ATOM 0 H VAL A 40 -1.010 8.842 6.232 1.00 15.00 H new ATOM 0 HA VAL A 40 1.231 8.123 4.479 1.00 15.00 H new ATOM 0 HB VAL A 40 0.351 10.523 3.560 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.878 9.222 1.860 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.703 8.497 2.235 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.784 7.783 2.902 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.110 10.480 3.570 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.075 9.098 4.691 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.442 10.679 5.207 1.00 15.00 H new ATOM 590 N ILE A 41 2.847 9.533 5.762 1.00 15.00 N ATOM 591 CA ILE A 41 3.847 10.358 6.425 1.00 15.00 C ATOM 592 C ILE A 41 4.232 11.605 5.626 1.00 15.00 C ATOM 593 O ILE A 41 4.798 11.508 4.536 1.00 15.00 O ATOM 594 CB ILE A 41 5.102 9.512 6.770 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.823 8.604 7.976 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.316 10.388 7.041 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.398 8.095 8.053 1.00 15.00 C ATOM 0 H ILE A 41 3.200 8.635 5.431 1.00 15.00 H new ATOM 0 HA ILE A 41 3.391 10.720 7.347 1.00 15.00 H new ATOM 0 HB ILE A 41 5.327 8.892 5.902 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.500 7.751 7.939 1.00 15.00 H new ATOM 0 HG13 ILE A 41 5.051 9.152 8.890 1.00 15.00 H new ATOM 0 HG21 ILE A 41 7.173 9.758 7.279 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.538 10.985 6.157 1.00 15.00 H new ATOM 0 HG23 ILE A 41 6.107 11.049 7.882 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.285 7.462 8.933 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.713 8.940 8.124 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.169 7.517 7.158 1.00 15.00 H new ATOM 609 N PRO A 42 3.926 12.802 6.189 1.00 15.00 N ATOM 610 CA PRO A 42 4.229 14.099 5.563 1.00 15.00 C ATOM 611 C PRO A 42 5.725 14.319 5.342 1.00 15.00 C ATOM 612 O PRO A 42 6.312 15.247 5.898 1.00 15.00 O ATOM 613 CB PRO A 42 3.696 15.128 6.571 1.00 15.00 C ATOM 614 CG PRO A 42 2.728 14.379 7.414 1.00 15.00 C ATOM 615 CD PRO A 42 3.257 12.979 7.492 1.00 15.00 C ATOM 0 HA PRO A 42 3.779 14.170 4.573 1.00 15.00 H new ATOM 0 HB2 PRO A 42 4.503 15.545 7.173 1.00 15.00 H new ATOM 0 HB3 PRO A 42 3.213 15.963 6.064 1.00 15.00 H new ATOM 0 HG2 PRO A 42 2.647 14.823 8.406 1.00 15.00 H new ATOM 0 HG3 PRO A 42 1.731 14.397 6.975 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.952 12.856 8.322 1.00 15.00 H new ATOM 0 HD3 PRO A 42 2.457 12.253 7.636 1.00 15.00 H new ATOM 623 N GLN A 43 6.340 13.466 4.531 1.00 15.00 N ATOM 624 CA GLN A 43 7.764 13.586 4.251 1.00 15.00 C ATOM 625 C GLN A 43 8.108 13.057 2.861 1.00 15.00 C ATOM 626 O GLN A 43 8.816 13.714 2.097 1.00 15.00 O ATOM 627 CB GLN A 43 8.574 12.834 5.310 1.00 15.00 C ATOM 628 CG GLN A 43 9.223 13.745 6.338 1.00 15.00 C ATOM 629 CD GLN A 43 10.245 13.022 7.194 1.00 15.00 C ATOM 630 OE1 GLN A 43 9.992 11.924 7.689 1.00 15.00 O ATOM 631 NE2 GLN A 43 11.408 13.637 7.373 1.00 15.00 N ATOM 0 H GLN A 43 5.878 12.689 4.059 1.00 15.00 H new ATOM 0 HA GLN A 43 8.021 14.645 4.281 1.00 15.00 H new ATOM 0 HB2 GLN A 43 7.920 12.129 5.823 1.00 15.00 H new ATOM 0 HB3 GLN A 43 9.349 12.248 4.815 1.00 15.00 H new ATOM 0 HG2 GLN A 43 9.706 14.578 5.827 1.00 15.00 H new ATOM 0 HG3 GLN A 43 8.452 14.170 6.980 1.00 15.00 H new ATOM 0 HE21 GLN A 43 11.575 14.547 6.944 1.00 15.00 H new ATOM 0 HE22 GLN A 43 12.134 13.199 7.940 1.00 15.00 H new ATOM 640 N GLY A 44 7.621 11.861 2.542 1.00 15.00 N ATOM 641 CA GLY A 44 7.913 11.270 1.247 1.00 15.00 C ATOM 642 C GLY A 44 6.936 11.666 0.158 1.00 15.00 C ATOM 643 O GLY A 44 5.873 12.228 0.425 1.00 15.00 O ATOM 0 H GLY A 44 7.033 11.293 3.152 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.918 11.562 0.944 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.912 10.184 1.345 1.00 15.00 H new ATOM 647 N ALA A 45 7.312 11.354 -1.076 1.00 15.00 N ATOM 648 CA ALA A 45 6.498 11.663 -2.251 1.00 15.00 C ATOM 649 C ALA A 45 5.112 11.027 -2.183 1.00 15.00 C ATOM 650 O ALA A 45 4.225 11.380 -2.960 1.00 15.00 O ATOM 651 CB ALA A 45 7.215 11.209 -3.511 1.00 15.00 C ATOM 0 H ALA A 45 8.189 10.880 -1.293 1.00 15.00 H new ATOM 0 HA ALA A 45 6.357 12.744 -2.273 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.603 11.442 -4.382 1.00 15.00 H new ATOM 0 HB2 ALA A 45 8.172 11.725 -3.591 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.386 10.133 -3.465 1.00 15.00 H new ATOM 657 N ALA A 46 4.925 10.090 -1.262 1.00 15.00 N ATOM 658 CA ALA A 46 3.642 9.417 -1.118 1.00 15.00 C ATOM 659 C ALA A 46 2.606 10.353 -0.509 1.00 15.00 C ATOM 660 O ALA A 46 1.550 10.595 -1.101 1.00 15.00 O ATOM 661 CB ALA A 46 3.794 8.167 -0.265 1.00 15.00 C ATOM 0 H ALA A 46 5.643 9.780 -0.607 1.00 15.00 H new ATOM 0 HA ALA A 46 3.296 9.124 -2.109 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.827 7.674 -0.166 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.501 7.487 -0.739 1.00 15.00 H new ATOM 0 HB3 ALA A 46 4.163 8.443 0.723 1.00 15.00 H new ATOM 667 N GLU A 47 2.920 10.885 0.671 1.00 15.00 N ATOM 668 CA GLU A 47 2.024 11.811 1.357 1.00 15.00 C ATOM 669 C GLU A 47 1.724 13.020 0.472 1.00 15.00 C ATOM 670 O GLU A 47 0.589 13.492 0.405 1.00 15.00 O ATOM 671 CB GLU A 47 2.638 12.284 2.683 1.00 15.00 C ATOM 672 CG GLU A 47 3.800 13.243 2.484 1.00 15.00 C ATOM 673 CD GLU A 47 3.350 14.679 2.295 1.00 15.00 C ATOM 674 OE1 GLU A 47 2.253 15.027 2.781 1.00 15.00 O ATOM 675 OE2 GLU A 47 4.095 15.456 1.661 1.00 15.00 O ATOM 0 H GLU A 47 3.788 10.690 1.171 1.00 15.00 H new ATOM 0 HA GLU A 47 1.095 11.282 1.568 1.00 15.00 H new ATOM 0 HB2 GLU A 47 1.868 12.772 3.281 1.00 15.00 H new ATOM 0 HB3 GLU A 47 2.980 11.418 3.249 1.00 15.00 H new ATOM 0 HG2 GLU A 47 4.464 13.186 3.346 1.00 15.00 H new ATOM 0 HG3 GLU A 47 4.378 12.931 1.614 1.00 15.00 H new ATOM 682 N SER A 48 2.765 13.523 -0.196 1.00 15.00 N ATOM 683 CA SER A 48 2.635 14.686 -1.067 1.00 15.00 C ATOM 684 C SER A 48 1.530 14.469 -2.085 1.00 15.00 C ATOM 685 O SER A 48 0.473 15.095 -2.010 1.00 15.00 O ATOM 686 CB SER A 48 3.958 14.966 -1.782 1.00 15.00 C ATOM 687 OG SER A 48 4.734 15.912 -1.068 1.00 15.00 O ATOM 0 H SER A 48 3.709 13.139 -0.148 1.00 15.00 H new ATOM 0 HA SER A 48 2.378 15.548 -0.451 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.520 14.038 -1.890 1.00 15.00 H new ATOM 0 HB3 SER A 48 3.760 15.338 -2.787 1.00 15.00 H new ATOM 0 HG SER A 48 4.564 15.816 -0.108 1.00 15.00 H new ATOM 693 N ASP A 49 1.766 13.563 -3.024 1.00 15.00 N ATOM 694 CA ASP A 49 0.767 13.259 -4.033 1.00 15.00 C ATOM 695 C ASP A 49 -0.492 12.745 -3.350 1.00 15.00 C ATOM 696 O ASP A 49 -1.610 13.105 -3.718 1.00 15.00 O ATOM 697 CB ASP A 49 1.298 12.219 -5.022 1.00 15.00 C ATOM 698 CG ASP A 49 1.432 12.775 -6.426 1.00 15.00 C ATOM 699 OD1 ASP A 49 1.985 13.885 -6.575 1.00 15.00 O ATOM 700 OD2 ASP A 49 0.983 12.101 -7.376 1.00 15.00 O ATOM 0 H ASP A 49 2.633 13.031 -3.106 1.00 15.00 H new ATOM 0 HA ASP A 49 0.534 14.166 -4.591 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.269 11.860 -4.682 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.628 11.359 -5.037 1.00 15.00 H new ATOM 705 N GLY A 50 -0.291 11.906 -2.339 1.00 15.00 N ATOM 706 CA GLY A 50 -1.402 11.354 -1.596 1.00 15.00 C ATOM 707 C GLY A 50 -2.033 10.182 -2.314 1.00 15.00 C ATOM 708 O GLY A 50 -3.255 10.108 -2.440 1.00 15.00 O ATOM 0 H GLY A 50 0.628 11.599 -2.022 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.058 11.035 -0.612 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.152 12.128 -1.436 1.00 15.00 H new ATOM 712 N ARG A 51 -1.201 9.268 -2.799 1.00 15.00 N ATOM 713 CA ARG A 51 -1.701 8.104 -3.523 1.00 15.00 C ATOM 714 C ARG A 51 -2.207 7.037 -2.558 1.00 15.00 C ATOM 715 O ARG A 51 -3.277 6.464 -2.760 1.00 15.00 O ATOM 716 CB ARG A 51 -0.615 7.520 -4.432 1.00 15.00 C ATOM 717 CG ARG A 51 -0.735 7.961 -5.882 1.00 15.00 C ATOM 718 CD ARG A 51 -1.980 7.387 -6.539 1.00 15.00 C ATOM 719 NE ARG A 51 -3.131 8.276 -6.405 1.00 15.00 N ATOM 720 CZ ARG A 51 -4.344 7.991 -6.872 1.00 15.00 C ATOM 721 NH1 ARG A 51 -4.566 6.845 -7.505 1.00 15.00 N ATOM 722 NH2 ARG A 51 -5.338 8.853 -6.707 1.00 15.00 N ATOM 0 H ARG A 51 -0.186 9.308 -2.706 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.535 8.432 -4.144 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.363 7.814 -4.051 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -0.661 6.432 -4.387 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -0.766 9.049 -5.931 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.149 7.642 -6.434 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.782 7.208 -7.596 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.214 6.422 -6.090 1.00 15.00 H new ATOM 0 HE ARG A 51 -2.997 9.167 -5.926 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -3.805 6.178 -7.635 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -5.498 6.631 -7.861 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -5.173 9.735 -6.222 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -6.268 8.634 -7.065 1.00 15.00 H new ATOM 736 N ILE A 52 -1.436 6.777 -1.509 1.00 15.00 N ATOM 737 CA ILE A 52 -1.818 5.780 -0.518 1.00 15.00 C ATOM 738 C ILE A 52 -2.612 6.412 0.623 1.00 15.00 C ATOM 739 O ILE A 52 -2.563 7.624 0.836 1.00 15.00 O ATOM 740 CB ILE A 52 -0.585 5.059 0.064 1.00 15.00 C ATOM 741 CG1 ILE A 52 0.215 4.383 -1.053 1.00 15.00 C ATOM 742 CG2 ILE A 52 -1.010 4.034 1.107 1.00 15.00 C ATOM 743 CD1 ILE A 52 -0.248 2.975 -1.366 1.00 15.00 C ATOM 0 H ILE A 52 -0.547 7.241 -1.323 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.444 5.051 -1.032 1.00 15.00 H new ATOM 0 HB ILE A 52 0.052 5.800 0.547 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.144 4.989 -1.956 1.00 15.00 H new ATOM 0 HG13 ILE A 52 1.267 4.356 -0.769 1.00 15.00 H new ATOM 0 HG21 ILE A 52 -0.128 3.535 1.507 1.00 15.00 H new ATOM 0 HG22 ILE A 52 -1.541 4.536 1.916 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -1.666 3.296 0.646 1.00 15.00 H new ATOM 0 HD11 ILE A 52 0.364 2.560 -2.166 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -0.151 2.354 -0.476 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -1.291 2.997 -1.681 1.00 15.00 H new ATOM 755 N HIS A 53 -3.334 5.574 1.356 1.00 15.00 N ATOM 756 CA HIS A 53 -4.136 6.021 2.484 1.00 15.00 C ATOM 757 C HIS A 53 -4.047 5.028 3.622 1.00 15.00 C ATOM 758 O HIS A 53 -3.855 3.831 3.412 1.00 15.00 O ATOM 759 CB HIS A 53 -5.593 6.223 2.066 1.00 15.00 C ATOM 760 CG HIS A 53 -5.772 7.257 0.998 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.647 6.979 -0.347 1.00 15.00 N ATOM 762 CD2 HIS A 53 -6.068 8.576 1.081 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.858 8.081 -1.044 1.00 15.00 C ATOM 764 NE2 HIS A 53 -6.116 9.064 -0.201 1.00 15.00 N ATOM 0 H HIS A 53 -3.379 4.569 1.185 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.742 6.978 2.826 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.996 5.274 1.712 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -6.177 6.511 2.940 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -6.235 9.139 1.987 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.825 8.164 -2.120 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -6.318 10.030 -0.460 1.00 15.00 H new ATOM 773 N LYS A 54 -4.152 5.554 4.830 1.00 15.00 N ATOM 774 CA LYS A 54 -4.052 4.757 6.037 1.00 15.00 C ATOM 775 C LYS A 54 -4.679 3.371 5.879 1.00 15.00 C ATOM 776 O LYS A 54 -5.791 3.227 5.370 1.00 15.00 O ATOM 777 CB LYS A 54 -4.661 5.509 7.232 1.00 15.00 C ATOM 778 CG LYS A 54 -5.916 4.875 7.819 1.00 15.00 C ATOM 779 CD LYS A 54 -6.273 5.495 9.159 1.00 15.00 C ATOM 780 CE LYS A 54 -5.168 5.281 10.180 1.00 15.00 C ATOM 781 NZ LYS A 54 -5.120 3.872 10.659 1.00 15.00 N ATOM 0 H LYS A 54 -4.309 6.547 5.000 1.00 15.00 H new ATOM 0 HA LYS A 54 -2.991 4.596 6.229 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -3.908 5.584 8.017 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -4.898 6.526 6.920 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -6.747 5.000 7.125 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -5.761 3.803 7.942 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -6.451 6.563 9.032 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -7.201 5.059 9.528 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -4.208 5.547 9.737 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -5.323 5.948 11.028 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -4.376 3.775 11.379 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -6.038 3.615 11.074 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -4.913 3.240 9.859 1.00 15.00 H new ATOM 795 N GLY A 55 -3.947 2.362 6.334 1.00 15.00 N ATOM 796 CA GLY A 55 -4.417 0.989 6.262 1.00 15.00 C ATOM 797 C GLY A 55 -4.802 0.549 4.863 1.00 15.00 C ATOM 798 O GLY A 55 -5.709 -0.268 4.701 1.00 15.00 O ATOM 0 H GLY A 55 -3.025 2.471 6.757 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.638 0.327 6.640 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.279 0.874 6.919 1.00 15.00 H new ATOM 802 N ASP A 56 -4.117 1.065 3.843 1.00 15.00 N ATOM 803 CA ASP A 56 -4.423 0.673 2.474 1.00 15.00 C ATOM 804 C ASP A 56 -4.088 -0.798 2.251 1.00 15.00 C ATOM 805 O ASP A 56 -2.974 -1.239 2.540 1.00 15.00 O ATOM 806 CB ASP A 56 -3.671 1.550 1.472 1.00 15.00 C ATOM 807 CG ASP A 56 -4.604 2.228 0.490 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.431 1.524 -0.126 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.508 3.464 0.339 1.00 15.00 O ATOM 0 H ASP A 56 -3.361 1.743 3.938 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.492 0.814 2.313 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -3.101 2.307 2.011 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -2.952 0.939 0.925 1.00 15.00 H new ATOM 814 N ARG A 57 -5.053 -1.554 1.736 1.00 15.00 N ATOM 815 CA ARG A 57 -4.852 -2.975 1.473 1.00 15.00 C ATOM 816 C ARG A 57 -4.109 -3.175 0.159 1.00 15.00 C ATOM 817 O ARG A 57 -4.725 -3.348 -0.893 1.00 15.00 O ATOM 818 CB ARG A 57 -6.198 -3.703 1.429 1.00 15.00 C ATOM 819 CG ARG A 57 -6.074 -5.216 1.499 1.00 15.00 C ATOM 820 CD ARG A 57 -7.393 -5.866 1.884 1.00 15.00 C ATOM 821 NE ARG A 57 -7.226 -7.269 2.254 1.00 15.00 N ATOM 822 CZ ARG A 57 -7.174 -8.268 1.376 1.00 15.00 C ATOM 823 NH1 ARG A 57 -7.270 -8.023 0.075 1.00 15.00 N ATOM 824 NH2 ARG A 57 -7.022 -9.515 1.799 1.00 15.00 N ATOM 0 H ARG A 57 -5.981 -1.207 1.493 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.251 -3.392 2.281 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.815 -3.359 2.259 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.719 -3.432 0.511 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -5.746 -5.600 0.533 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -5.308 -5.486 2.226 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -7.835 -5.322 2.718 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -8.090 -5.792 1.050 1.00 15.00 H new ATOM 0 HE ARG A 57 -7.144 -7.497 3.245 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -7.384 -7.065 -0.257 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -7.229 -8.793 -0.593 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -6.945 -9.709 2.797 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -6.982 -10.281 1.126 1.00 15.00 H new ATOM 838 N VAL A 58 -2.782 -3.143 0.223 1.00 15.00 N ATOM 839 CA VAL A 58 -1.963 -3.313 -0.969 1.00 15.00 C ATOM 840 C VAL A 58 -1.835 -4.789 -1.345 1.00 15.00 C ATOM 841 O VAL A 58 -1.277 -5.596 -0.591 1.00 15.00 O ATOM 842 CB VAL A 58 -0.563 -2.670 -0.801 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.658 -1.385 0.010 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.428 -3.632 -0.157 1.00 15.00 C ATOM 0 H VAL A 58 -2.254 -3.002 1.084 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.470 -2.795 -1.783 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.192 -2.432 -1.798 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.335 -0.948 0.117 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.312 -0.679 -0.502 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.065 -1.607 0.996 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.397 -3.143 -0.057 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.065 -3.923 0.829 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.532 -4.519 -0.782 1.00 15.00 H new ATOM 854 N LEU A 59 -2.382 -5.132 -2.510 1.00 15.00 N ATOM 855 CA LEU A 59 -2.354 -6.504 -3.002 1.00 15.00 C ATOM 856 C LEU A 59 -1.380 -6.679 -4.169 1.00 15.00 C ATOM 857 O LEU A 59 -1.078 -7.805 -4.562 1.00 15.00 O ATOM 858 CB LEU A 59 -3.756 -6.940 -3.434 1.00 15.00 C ATOM 859 CG LEU A 59 -4.812 -6.934 -2.326 1.00 15.00 C ATOM 860 CD1 LEU A 59 -6.051 -7.693 -2.773 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.251 -7.534 -1.045 1.00 15.00 C ATOM 0 H LEU A 59 -2.851 -4.474 -3.132 1.00 15.00 H new ATOM 0 HA LEU A 59 -2.008 -7.132 -2.182 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -4.092 -6.284 -4.237 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.694 -7.946 -3.849 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.092 -5.900 -2.123 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -6.793 -7.680 -1.975 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -6.467 -7.220 -3.662 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -5.783 -8.724 -3.003 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.018 -7.520 -0.270 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -3.941 -8.562 -1.230 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -3.392 -6.950 -0.715 1.00 15.00 H new ATOM 873 N ALA A 60 -0.907 -5.574 -4.741 1.00 15.00 N ATOM 874 CA ALA A 60 0.008 -5.650 -5.876 1.00 15.00 C ATOM 875 C ALA A 60 0.968 -4.465 -5.929 1.00 15.00 C ATOM 876 O ALA A 60 0.605 -3.335 -5.602 1.00 15.00 O ATOM 877 CB ALA A 60 -0.782 -5.742 -7.173 1.00 15.00 C ATOM 0 H ALA A 60 -1.139 -4.627 -4.442 1.00 15.00 H new ATOM 0 HA ALA A 60 0.612 -6.548 -5.748 1.00 15.00 H new ATOM 0 HB1 ALA A 60 -0.093 -5.798 -8.016 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.408 -6.634 -7.155 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.412 -4.859 -7.278 1.00 15.00 H new ATOM 883 N VAL A 61 2.193 -4.741 -6.367 1.00 15.00 N ATOM 884 CA VAL A 61 3.227 -3.720 -6.503 1.00 15.00 C ATOM 885 C VAL A 61 4.000 -3.951 -7.790 1.00 15.00 C ATOM 886 O VAL A 61 4.841 -4.847 -7.865 1.00 15.00 O ATOM 887 CB VAL A 61 4.215 -3.730 -5.320 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.218 -2.594 -5.455 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.474 -3.642 -3.996 1.00 15.00 C ATOM 0 H VAL A 61 2.496 -5.677 -6.637 1.00 15.00 H new ATOM 0 HA VAL A 61 2.728 -2.751 -6.518 1.00 15.00 H new ATOM 0 HB VAL A 61 4.761 -4.673 -5.337 1.00 15.00 H new ATOM 0 HG11 VAL A 61 5.908 -2.616 -4.612 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.776 -2.710 -6.384 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.689 -1.641 -5.467 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.192 -3.651 -3.176 1.00 15.00 H new ATOM 0 HG22 VAL A 61 2.897 -2.718 -3.963 1.00 15.00 H new ATOM 0 HG23 VAL A 61 2.801 -4.494 -3.898 1.00 15.00 H new ATOM 899 N ASN A 62 3.689 -3.166 -8.813 1.00 15.00 N ATOM 900 CA ASN A 62 4.338 -3.320 -10.105 1.00 15.00 C ATOM 901 C ASN A 62 3.977 -4.678 -10.708 1.00 15.00 C ATOM 902 O ASN A 62 4.622 -5.145 -11.647 1.00 15.00 O ATOM 903 CB ASN A 62 5.857 -3.182 -9.967 1.00 15.00 C ATOM 904 CG ASN A 62 6.327 -1.755 -10.171 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.247 -1.497 -10.948 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.696 -0.817 -9.472 1.00 15.00 N ATOM 0 H ASN A 62 2.995 -2.420 -8.772 1.00 15.00 H new ATOM 0 HA ASN A 62 3.986 -2.532 -10.770 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.162 -3.525 -8.978 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.346 -3.830 -10.694 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.969 0.161 -9.568 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.939 -1.075 -8.839 1.00 15.00 H new ATOM 913 N GLY A 63 2.932 -5.302 -10.159 1.00 15.00 N ATOM 914 CA GLY A 63 2.484 -6.594 -10.645 1.00 15.00 C ATOM 915 C GLY A 63 2.814 -7.741 -9.706 1.00 15.00 C ATOM 916 O GLY A 63 2.576 -8.902 -10.040 1.00 15.00 O ATOM 0 H GLY A 63 2.387 -4.929 -9.381 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.406 -6.561 -10.801 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.941 -6.787 -11.616 1.00 15.00 H new ATOM 920 N VAL A 64 3.350 -7.430 -8.528 1.00 15.00 N ATOM 921 CA VAL A 64 3.687 -8.467 -7.558 1.00 15.00 C ATOM 922 C VAL A 64 2.542 -8.683 -6.569 1.00 15.00 C ATOM 923 O VAL A 64 2.309 -7.868 -5.678 1.00 15.00 O ATOM 924 CB VAL A 64 4.992 -8.140 -6.794 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.770 -7.056 -5.752 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.560 -9.396 -6.151 1.00 15.00 C ATOM 0 H VAL A 64 3.558 -6.479 -8.225 1.00 15.00 H new ATOM 0 HA VAL A 64 3.848 -9.387 -8.119 1.00 15.00 H new ATOM 0 HB VAL A 64 5.715 -7.760 -7.515 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.707 -6.851 -5.234 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.420 -6.147 -6.241 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.023 -7.391 -5.032 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.478 -9.149 -5.618 1.00 15.00 H new ATOM 0 HG22 VAL A 64 4.833 -9.807 -5.451 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.777 -10.134 -6.923 1.00 15.00 H new ATOM 936 N SER A 65 1.824 -9.787 -6.738 1.00 15.00 N ATOM 937 CA SER A 65 0.699 -10.110 -5.865 1.00 15.00 C ATOM 938 C SER A 65 1.147 -10.204 -4.412 1.00 15.00 C ATOM 939 O SER A 65 2.138 -10.862 -4.096 1.00 15.00 O ATOM 940 CB SER A 65 0.052 -11.427 -6.298 1.00 15.00 C ATOM 941 OG SER A 65 -0.518 -11.315 -7.591 1.00 15.00 O ATOM 0 H SER A 65 2.000 -10.474 -7.471 1.00 15.00 H new ATOM 0 HA SER A 65 -0.035 -9.308 -5.948 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.799 -12.221 -6.294 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.718 -11.710 -5.581 1.00 15.00 H new ATOM 0 HG SER A 65 -0.923 -12.170 -7.845 1.00 15.00 H new ATOM 947 N LEU A 66 0.407 -9.541 -3.530 1.00 15.00 N ATOM 948 CA LEU A 66 0.721 -9.546 -2.108 1.00 15.00 C ATOM 949 C LEU A 66 0.064 -10.734 -1.409 1.00 15.00 C ATOM 950 O LEU A 66 0.469 -11.119 -0.312 1.00 15.00 O ATOM 951 CB LEU A 66 0.267 -8.236 -1.460 1.00 15.00 C ATOM 952 CG LEU A 66 1.356 -7.483 -0.694 1.00 15.00 C ATOM 953 CD1 LEU A 66 1.960 -8.367 0.385 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.433 -6.992 -1.649 1.00 15.00 C ATOM 0 H LEU A 66 -0.417 -8.992 -3.777 1.00 15.00 H new ATOM 0 HA LEU A 66 1.801 -9.639 -1.999 1.00 15.00 H new ATOM 0 HB2 LEU A 66 -0.128 -7.582 -2.237 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.554 -8.452 -0.776 1.00 15.00 H new ATOM 0 HG LEU A 66 0.902 -6.617 -0.211 1.00 15.00 H new ATOM 0 HD11 LEU A 66 2.733 -7.813 0.919 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.181 -8.670 1.085 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.400 -9.252 -0.074 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.200 -6.458 -1.088 1.00 15.00 H new ATOM 0 HD22 LEU A 66 2.883 -7.844 -2.159 1.00 15.00 H new ATOM 0 HD23 LEU A 66 1.989 -6.322 -2.385 1.00 15.00 H new ATOM 966 N GLU A 67 -0.952 -11.313 -2.049 1.00 15.00 N ATOM 967 CA GLU A 67 -1.660 -12.459 -1.486 1.00 15.00 C ATOM 968 C GLU A 67 -0.677 -13.519 -0.999 1.00 15.00 C ATOM 969 O GLU A 67 -0.209 -14.351 -1.776 1.00 15.00 O ATOM 970 CB GLU A 67 -2.606 -13.062 -2.526 1.00 15.00 C ATOM 971 CG GLU A 67 -3.817 -12.194 -2.822 1.00 15.00 C ATOM 972 CD GLU A 67 -4.432 -12.492 -4.176 1.00 15.00 C ATOM 973 OE1 GLU A 67 -4.171 -13.587 -4.718 1.00 15.00 O ATOM 974 OE2 GLU A 67 -5.173 -11.631 -4.694 1.00 15.00 O ATOM 0 H GLU A 67 -1.302 -11.006 -2.957 1.00 15.00 H new ATOM 0 HA GLU A 67 -2.244 -12.112 -0.634 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.055 -13.231 -3.451 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.945 -14.037 -2.175 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -4.567 -12.346 -2.045 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -3.525 -11.144 -2.783 1.00 15.00 H new ATOM 981 N GLY A 68 -0.360 -13.472 0.289 1.00 15.00 N ATOM 982 CA GLY A 68 0.574 -14.423 0.859 1.00 15.00 C ATOM 983 C GLY A 68 1.899 -13.777 1.206 1.00 15.00 C ATOM 984 O GLY A 68 2.925 -14.077 0.594 1.00 15.00 O ATOM 0 H GLY A 68 -0.734 -12.791 0.950 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.140 -14.865 1.756 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.741 -15.236 0.152 1.00 15.00 H new ATOM 988 N ALA A 69 1.876 -12.882 2.188 1.00 15.00 N ATOM 989 CA ALA A 69 3.080 -12.182 2.615 1.00 15.00 C ATOM 990 C ALA A 69 2.812 -11.352 3.866 1.00 15.00 C ATOM 991 O ALA A 69 1.663 -11.068 4.202 1.00 15.00 O ATOM 992 CB ALA A 69 3.598 -11.300 1.489 1.00 15.00 C ATOM 0 H ALA A 69 1.034 -12.625 2.704 1.00 15.00 H new ATOM 0 HA ALA A 69 3.841 -12.922 2.860 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.498 -10.781 1.818 1.00 15.00 H new ATOM 0 HB2 ALA A 69 3.832 -11.917 0.621 1.00 15.00 H new ATOM 0 HB3 ALA A 69 2.836 -10.569 1.219 1.00 15.00 H new ATOM 998 N THR A 70 3.880 -10.975 4.559 1.00 15.00 N ATOM 999 CA THR A 70 3.762 -10.186 5.780 1.00 15.00 C ATOM 1000 C THR A 70 3.870 -8.692 5.491 1.00 15.00 C ATOM 1001 O THR A 70 3.920 -8.272 4.335 1.00 15.00 O ATOM 1002 CB THR A 70 4.842 -10.601 6.779 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.091 -10.029 6.434 1.00 15.00 O ATOM 1004 CG2 THR A 70 5.031 -12.100 6.866 1.00 15.00 C ATOM 0 H THR A 70 4.839 -11.203 4.296 1.00 15.00 H new ATOM 0 HA THR A 70 2.778 -10.377 6.208 1.00 15.00 H new ATOM 0 HB THR A 70 4.496 -10.238 7.747 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.768 -10.305 7.086 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.811 -12.327 7.592 1.00 15.00 H new ATOM 0 HG22 THR A 70 4.097 -12.567 7.179 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.321 -12.487 5.889 1.00 15.00 H new ATOM 1012 N HIS A 71 3.905 -7.897 6.556 1.00 15.00 N ATOM 1013 CA HIS A 71 4.006 -6.449 6.436 1.00 15.00 C ATOM 1014 C HIS A 71 5.312 -6.063 5.756 1.00 15.00 C ATOM 1015 O HIS A 71 5.315 -5.453 4.687 1.00 15.00 O ATOM 1016 CB HIS A 71 3.891 -5.808 7.829 1.00 15.00 C ATOM 1017 CG HIS A 71 4.770 -4.612 8.048 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.514 -4.428 9.195 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.017 -3.537 7.265 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.179 -3.290 9.107 1.00 15.00 C ATOM 1021 NE2 HIS A 71 5.896 -2.731 7.946 1.00 15.00 N ATOM 0 H HIS A 71 3.865 -8.235 7.517 1.00 15.00 H new ATOM 0 HA HIS A 71 3.189 -6.079 5.816 1.00 15.00 H new ATOM 0 HB2 HIS A 71 2.854 -5.514 7.993 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.132 -6.560 8.580 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.546 -5.070 9.987 1.00 15.00 H new ATOM 0 HD2 HIS A 71 4.601 -3.348 6.287 1.00 15.00 H new ATOM 0 HE1 HIS A 71 6.842 -2.886 9.858 1.00 15.00 H new ATOM 1030 N LYS A 72 6.418 -6.436 6.381 1.00 15.00 N ATOM 1031 CA LYS A 72 7.739 -6.146 5.838 1.00 15.00 C ATOM 1032 C LYS A 72 7.840 -6.630 4.398 1.00 15.00 C ATOM 1033 O LYS A 72 8.554 -6.046 3.585 1.00 15.00 O ATOM 1034 CB LYS A 72 8.811 -6.814 6.695 1.00 15.00 C ATOM 1035 CG LYS A 72 10.220 -6.331 6.394 1.00 15.00 C ATOM 1036 CD LYS A 72 11.149 -6.549 7.577 1.00 15.00 C ATOM 1037 CE LYS A 72 11.770 -7.936 7.550 1.00 15.00 C ATOM 1038 NZ LYS A 72 12.444 -8.218 6.252 1.00 15.00 N ATOM 0 H LYS A 72 6.428 -6.941 7.267 1.00 15.00 H new ATOM 0 HA LYS A 72 7.895 -5.067 5.851 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.590 -6.630 7.746 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.766 -7.892 6.543 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.608 -6.859 5.523 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.196 -5.271 6.140 1.00 15.00 H new ATOM 0 HD2 LYS A 72 11.937 -5.796 7.565 1.00 15.00 H new ATOM 0 HD3 LYS A 72 10.594 -6.416 8.506 1.00 15.00 H new ATOM 0 HE2 LYS A 72 12.492 -8.026 8.361 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.997 -8.683 7.727 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 13.207 -8.909 6.400 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 11.752 -8.604 5.578 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 12.844 -7.337 5.870 1.00 15.00 H new ATOM 1052 N GLN A 73 7.111 -7.696 4.088 1.00 15.00 N ATOM 1053 CA GLN A 73 7.113 -8.251 2.742 1.00 15.00 C ATOM 1054 C GLN A 73 6.641 -7.203 1.744 1.00 15.00 C ATOM 1055 O GLN A 73 7.313 -6.934 0.749 1.00 15.00 O ATOM 1056 CB GLN A 73 6.217 -9.486 2.671 1.00 15.00 C ATOM 1057 CG GLN A 73 6.736 -10.556 1.725 1.00 15.00 C ATOM 1058 CD GLN A 73 6.708 -11.942 2.339 1.00 15.00 C ATOM 1059 OE1 GLN A 73 5.939 -12.208 3.263 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.549 -12.833 1.828 1.00 15.00 N ATOM 0 H GLN A 73 6.513 -8.191 4.749 1.00 15.00 H new ATOM 0 HA GLN A 73 8.131 -8.547 2.490 1.00 15.00 H new ATOM 0 HB2 GLN A 73 6.118 -9.912 3.670 1.00 15.00 H new ATOM 0 HB3 GLN A 73 5.219 -9.184 2.353 1.00 15.00 H new ATOM 0 HG2 GLN A 73 6.135 -10.554 0.815 1.00 15.00 H new ATOM 0 HG3 GLN A 73 7.758 -10.313 1.433 1.00 15.00 H new ATOM 0 HE21 GLN A 73 8.169 -12.569 1.062 1.00 15.00 H new ATOM 0 HE22 GLN A 73 7.575 -13.782 2.201 1.00 15.00 H new ATOM 1069 N ALA A 74 5.493 -6.594 2.028 1.00 15.00 N ATOM 1070 CA ALA A 74 4.961 -5.558 1.159 1.00 15.00 C ATOM 1071 C ALA A 74 5.867 -4.341 1.199 1.00 15.00 C ATOM 1072 O ALA A 74 6.217 -3.782 0.162 1.00 15.00 O ATOM 1073 CB ALA A 74 3.551 -5.181 1.565 1.00 15.00 C ATOM 0 H ALA A 74 4.920 -6.800 2.846 1.00 15.00 H new ATOM 0 HA ALA A 74 4.924 -5.944 0.140 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.176 -4.404 0.899 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.907 -6.058 1.499 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.554 -4.810 2.590 1.00 15.00 H new ATOM 1079 N VAL A 75 6.273 -3.957 2.410 1.00 15.00 N ATOM 1080 CA VAL A 75 7.178 -2.828 2.597 1.00 15.00 C ATOM 1081 C VAL A 75 8.275 -2.897 1.550 1.00 15.00 C ATOM 1082 O VAL A 75 8.629 -1.898 0.924 1.00 15.00 O ATOM 1083 CB VAL A 75 7.787 -2.853 4.022 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.304 -3.001 3.995 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.385 -1.618 4.804 1.00 15.00 C ATOM 0 H VAL A 75 5.987 -4.414 3.276 1.00 15.00 H new ATOM 0 HA VAL A 75 6.625 -1.895 2.484 1.00 15.00 H new ATOM 0 HB VAL A 75 7.384 -3.731 4.526 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.687 -3.014 5.016 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.570 -3.933 3.496 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.742 -2.162 3.454 1.00 15.00 H new ATOM 0 HG21 VAL A 75 7.825 -1.659 5.800 1.00 15.00 H new ATOM 0 HG22 VAL A 75 7.742 -0.728 4.286 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.299 -1.578 4.888 1.00 15.00 H new ATOM 1095 N GLU A 76 8.779 -4.104 1.349 1.00 15.00 N ATOM 1096 CA GLU A 76 9.806 -4.344 0.358 1.00 15.00 C ATOM 1097 C GLU A 76 9.239 -4.135 -1.042 1.00 15.00 C ATOM 1098 O GLU A 76 9.872 -3.509 -1.884 1.00 15.00 O ATOM 1099 CB GLU A 76 10.365 -5.760 0.503 1.00 15.00 C ATOM 1100 CG GLU A 76 11.014 -6.021 1.854 1.00 15.00 C ATOM 1101 CD GLU A 76 11.153 -7.500 2.157 1.00 15.00 C ATOM 1102 OE1 GLU A 76 12.139 -8.111 1.693 1.00 15.00 O ATOM 1103 OE2 GLU A 76 10.277 -8.047 2.860 1.00 15.00 O ATOM 0 H GLU A 76 8.489 -4.935 1.864 1.00 15.00 H new ATOM 0 HA GLU A 76 10.620 -3.636 0.515 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.559 -6.478 0.352 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.099 -5.935 -0.284 1.00 15.00 H new ATOM 0 HG2 GLU A 76 11.999 -5.555 1.876 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.420 -5.548 2.636 1.00 15.00 H new ATOM 1110 N THR A 77 8.034 -4.658 -1.287 1.00 15.00 N ATOM 1111 CA THR A 77 7.396 -4.511 -2.593 1.00 15.00 C ATOM 1112 C THR A 77 7.090 -3.047 -2.902 1.00 15.00 C ATOM 1113 O THR A 77 7.496 -2.530 -3.943 1.00 15.00 O ATOM 1114 CB THR A 77 6.116 -5.339 -2.676 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.155 -4.882 -1.742 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.339 -6.815 -2.429 1.00 15.00 C ATOM 0 H THR A 77 7.487 -5.182 -0.604 1.00 15.00 H new ATOM 0 HA THR A 77 8.100 -4.880 -3.338 1.00 15.00 H new ATOM 0 HB THR A 77 5.758 -5.210 -3.698 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.597 -4.338 -1.057 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.389 -7.344 -2.503 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.032 -7.208 -3.173 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.757 -6.958 -1.433 1.00 15.00 H new ATOM 1124 N LEU A 78 6.374 -2.379 -1.996 1.00 15.00 N ATOM 1125 CA LEU A 78 6.026 -0.972 -2.193 1.00 15.00 C ATOM 1126 C LEU A 78 7.280 -0.163 -2.479 1.00 15.00 C ATOM 1127 O LEU A 78 7.337 0.611 -3.434 1.00 15.00 O ATOM 1128 CB LEU A 78 5.324 -0.396 -0.956 1.00 15.00 C ATOM 1129 CG LEU A 78 4.348 -1.336 -0.245 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.603 -0.594 0.854 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.370 -1.943 -1.237 1.00 15.00 C ATOM 0 H LEU A 78 6.027 -2.785 -1.127 1.00 15.00 H new ATOM 0 HA LEU A 78 5.344 -0.911 -3.041 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.086 -0.086 -0.241 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.782 0.502 -1.254 1.00 15.00 H new ATOM 0 HG LEU A 78 4.919 -2.145 0.210 1.00 15.00 H new ATOM 0 HD11 LEU A 78 2.913 -1.276 1.350 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.317 -0.208 1.581 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.044 0.235 0.419 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.685 -2.608 -0.712 1.00 15.00 H new ATOM 0 HD22 LEU A 78 2.804 -1.148 -1.722 1.00 15.00 H new ATOM 0 HD23 LEU A 78 3.919 -2.509 -1.990 1.00 15.00 H new ATOM 1143 N ARG A 79 8.286 -0.363 -1.642 1.00 15.00 N ATOM 1144 CA ARG A 79 9.556 0.326 -1.786 1.00 15.00 C ATOM 1145 C ARG A 79 10.293 -0.155 -3.036 1.00 15.00 C ATOM 1146 O ARG A 79 10.590 0.632 -3.934 1.00 15.00 O ATOM 1147 CB ARG A 79 10.408 0.094 -0.538 1.00 15.00 C ATOM 1148 CG ARG A 79 11.259 1.292 -0.148 1.00 15.00 C ATOM 1149 CD ARG A 79 11.767 1.174 1.280 1.00 15.00 C ATOM 1150 NE ARG A 79 13.141 0.682 1.333 1.00 15.00 N ATOM 1151 CZ ARG A 79 13.898 0.716 2.428 1.00 15.00 C ATOM 1152 NH1 ARG A 79 13.418 1.218 3.559 1.00 15.00 N ATOM 1153 NH2 ARG A 79 15.138 0.246 2.391 1.00 15.00 N ATOM 0 H ARG A 79 8.245 -1.003 -0.849 1.00 15.00 H new ATOM 0 HA ARG A 79 9.369 1.394 -1.897 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.754 -0.163 0.295 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.059 -0.763 -0.708 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.105 1.376 -0.830 1.00 15.00 H new ATOM 0 HG3 ARG A 79 10.673 2.205 -0.252 1.00 15.00 H new ATOM 0 HD2 ARG A 79 11.712 2.148 1.766 1.00 15.00 H new ATOM 0 HD3 ARG A 79 11.119 0.501 1.841 1.00 15.00 H new ATOM 0 HE ARG A 79 13.544 0.290 0.482 1.00 15.00 H new ATOM 0 HH11 ARG A 79 12.465 1.580 3.592 1.00 15.00 H new ATOM 0 HH12 ARG A 79 14.002 1.242 4.395 1.00 15.00 H new ATOM 0 HH21 ARG A 79 15.511 -0.141 1.524 1.00 15.00 H new ATOM 0 HH22 ARG A 79 15.718 0.272 3.229 1.00 15.00 H new ATOM 1167 N ASN A 80 10.586 -1.452 -3.078 1.00 15.00 N ATOM 1168 CA ASN A 80 11.291 -2.056 -4.208 1.00 15.00 C ATOM 1169 C ASN A 80 10.460 -2.016 -5.491 1.00 15.00 C ATOM 1170 O ASN A 80 10.129 -3.060 -6.054 1.00 15.00 O ATOM 1171 CB ASN A 80 11.662 -3.506 -3.887 1.00 15.00 C ATOM 1172 CG ASN A 80 12.487 -3.625 -2.619 1.00 15.00 C ATOM 1173 OD1 ASN A 80 13.030 -2.638 -2.123 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.584 -4.839 -2.089 1.00 15.00 N ATOM 0 H ASN A 80 10.344 -2.110 -2.337 1.00 15.00 H new ATOM 0 HA ASN A 80 12.195 -1.470 -4.373 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.752 -4.096 -3.782 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.221 -3.928 -4.722 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.126 -4.982 -1.236 1.00 15.00 H new ATOM 0 HD22 ASN A 80 12.117 -5.629 -2.534 1.00 15.00 H new ATOM 1181 N THR A 81 10.139 -0.818 -5.965 1.00 15.00 N ATOM 1182 CA THR A 81 9.366 -0.679 -7.195 1.00 15.00 C ATOM 1183 C THR A 81 10.304 -0.510 -8.387 1.00 15.00 C ATOM 1184 O THR A 81 10.419 -1.399 -9.230 1.00 15.00 O ATOM 1185 CB THR A 81 8.403 0.508 -7.101 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.672 1.285 -5.947 1.00 15.00 O ATOM 1187 CG2 THR A 81 6.948 0.093 -7.047 1.00 15.00 C ATOM 0 H THR A 81 10.398 0.064 -5.522 1.00 15.00 H new ATOM 0 HA THR A 81 8.776 -1.584 -7.336 1.00 15.00 H new ATOM 0 HB THR A 81 8.567 1.086 -8.011 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.153 0.939 -5.191 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.319 0.981 -6.981 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.695 -0.465 -7.949 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.781 -0.536 -6.172 1.00 15.00 H new ATOM 1195 N GLY A 82 10.984 0.631 -8.441 1.00 15.00 N ATOM 1196 CA GLY A 82 11.914 0.892 -9.516 1.00 15.00 C ATOM 1197 C GLY A 82 11.579 2.148 -10.292 1.00 15.00 C ATOM 1198 O GLY A 82 11.731 3.262 -9.793 1.00 15.00 O ATOM 0 H GLY A 82 10.904 1.381 -7.754 1.00 15.00 H new ATOM 0 HA2 GLY A 82 12.920 0.982 -9.106 1.00 15.00 H new ATOM 0 HA3 GLY A 82 11.922 0.041 -10.197 1.00 15.00 H new ATOM 1202 N GLN A 83 11.135 1.956 -11.522 1.00 15.00 N ATOM 1203 CA GLN A 83 10.783 3.068 -12.403 1.00 15.00 C ATOM 1204 C GLN A 83 9.579 3.847 -11.876 1.00 15.00 C ATOM 1205 O GLN A 83 9.727 4.938 -11.325 1.00 15.00 O ATOM 1206 CB GLN A 83 10.502 2.575 -13.831 1.00 15.00 C ATOM 1207 CG GLN A 83 11.206 1.275 -14.192 1.00 15.00 C ATOM 1208 CD GLN A 83 10.313 0.064 -14.006 1.00 15.00 C ATOM 1209 OE1 GLN A 83 9.156 0.188 -13.604 1.00 15.00 O ATOM 1210 NE2 GLN A 83 10.849 -1.116 -14.297 1.00 15.00 N ATOM 0 H GLN A 83 11.007 1.035 -11.940 1.00 15.00 H new ATOM 0 HA GLN A 83 11.641 3.740 -12.425 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.427 2.439 -13.951 1.00 15.00 H new ATOM 0 HB3 GLN A 83 10.806 3.348 -14.537 1.00 15.00 H new ATOM 0 HG2 GLN A 83 11.540 1.321 -15.229 1.00 15.00 H new ATOM 0 HG3 GLN A 83 12.098 1.164 -13.575 1.00 15.00 H new ATOM 0 HE21 GLN A 83 11.812 -1.171 -14.627 1.00 15.00 H new ATOM 0 HE22 GLN A 83 10.297 -1.967 -14.190 1.00 15.00 H new ATOM 1219 N VAL A 84 8.389 3.285 -12.064 1.00 15.00 N ATOM 1220 CA VAL A 84 7.156 3.925 -11.623 1.00 15.00 C ATOM 1221 C VAL A 84 6.532 3.176 -10.449 1.00 15.00 C ATOM 1222 O VAL A 84 6.787 1.988 -10.245 1.00 15.00 O ATOM 1223 CB VAL A 84 6.137 4.020 -12.782 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.771 4.475 -12.285 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.652 4.965 -13.857 1.00 15.00 C ATOM 0 H VAL A 84 8.253 2.383 -12.521 1.00 15.00 H new ATOM 0 HA VAL A 84 7.413 4.932 -11.295 1.00 15.00 H new ATOM 0 HB VAL A 84 6.020 3.024 -13.210 1.00 15.00 H new ATOM 0 HG11 VAL A 84 4.078 4.531 -13.125 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.395 3.762 -11.551 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.861 5.458 -11.822 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.926 5.024 -14.668 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.800 5.957 -13.429 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.600 4.593 -14.245 1.00 15.00 H new ATOM 1235 N VAL A 85 5.706 3.876 -9.686 1.00 15.00 N ATOM 1236 CA VAL A 85 5.040 3.283 -8.538 1.00 15.00 C ATOM 1237 C VAL A 85 3.619 2.858 -8.905 1.00 15.00 C ATOM 1238 O VAL A 85 2.651 3.566 -8.628 1.00 15.00 O ATOM 1239 CB VAL A 85 5.019 4.273 -7.349 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.944 3.915 -6.334 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.387 4.329 -6.684 1.00 15.00 C ATOM 0 H VAL A 85 5.481 4.858 -9.843 1.00 15.00 H new ATOM 0 HA VAL A 85 5.599 2.397 -8.237 1.00 15.00 H new ATOM 0 HB VAL A 85 4.777 5.260 -7.744 1.00 15.00 H new ATOM 0 HG11 VAL A 85 3.963 4.634 -5.515 1.00 15.00 H new ATOM 0 HG12 VAL A 85 2.966 3.939 -6.816 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.132 2.915 -5.943 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.357 5.029 -5.849 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.654 3.338 -6.317 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.131 4.660 -7.409 1.00 15.00 H new ATOM 1251 N HIS A 86 3.508 1.691 -9.534 1.00 15.00 N ATOM 1252 CA HIS A 86 2.212 1.159 -9.943 1.00 15.00 C ATOM 1253 C HIS A 86 1.733 0.101 -8.955 1.00 15.00 C ATOM 1254 O HIS A 86 1.970 -1.092 -9.142 1.00 15.00 O ATOM 1255 CB HIS A 86 2.300 0.560 -11.347 1.00 15.00 C ATOM 1256 CG HIS A 86 0.968 0.382 -12.008 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.159 1.084 -11.634 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.585 -0.425 -13.026 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.176 0.716 -12.393 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.751 -0.198 -13.245 1.00 15.00 N ATOM 0 H HIS A 86 4.301 1.095 -9.772 1.00 15.00 H new ATOM 0 HA HIS A 86 1.494 1.979 -9.954 1.00 15.00 H new ATOM 0 HB2 HIS A 86 2.922 1.204 -11.969 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.800 -0.407 -11.290 1.00 15.00 H new ATOM 0 HD2 HIS A 86 1.214 -1.118 -13.565 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.184 1.098 -12.327 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.323 -0.661 -13.952 1.00 15.00 H new ATOM 1269 N LEU A 87 1.070 0.550 -7.895 1.00 15.00 N ATOM 1270 CA LEU A 87 0.570 -0.350 -6.865 1.00 15.00 C ATOM 1271 C LEU A 87 -0.935 -0.563 -6.981 1.00 15.00 C ATOM 1272 O LEU A 87 -1.707 0.391 -6.977 1.00 15.00 O ATOM 1273 CB LEU A 87 0.900 0.210 -5.481 1.00 15.00 C ATOM 1274 CG LEU A 87 1.864 -0.637 -4.657 1.00 15.00 C ATOM 1275 CD1 LEU A 87 2.968 0.226 -4.062 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.109 -1.376 -3.562 1.00 15.00 C ATOM 0 H LEU A 87 0.866 1.535 -7.727 1.00 15.00 H new ATOM 0 HA LEU A 87 1.059 -1.314 -7.004 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.326 1.206 -5.601 1.00 15.00 H new ATOM 0 HB3 LEU A 87 -0.028 0.326 -4.921 1.00 15.00 H new ATOM 0 HG LEU A 87 2.329 -1.371 -5.315 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.644 -0.399 -3.478 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.524 0.710 -4.865 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.528 0.986 -3.416 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.808 -1.977 -2.980 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.619 -0.655 -2.908 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.359 -2.026 -4.012 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.347 -1.823 -7.054 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.763 -2.160 -7.136 1.00 15.00 C ATOM 1290 C LEU A 88 -3.251 -2.617 -5.770 1.00 15.00 C ATOM 1291 O LEU A 88 -2.989 -3.745 -5.351 1.00 15.00 O ATOM 1292 CB LEU A 88 -2.995 -3.251 -8.183 1.00 15.00 C ATOM 1293 CG LEU A 88 -3.181 -2.747 -9.616 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.182 -1.643 -9.932 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -3.040 -3.893 -10.606 1.00 15.00 C ATOM 0 H LEU A 88 -0.721 -2.628 -7.058 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.326 -1.277 -7.441 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.149 -3.938 -8.163 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -3.878 -3.824 -7.899 1.00 15.00 H new ATOM 0 HG LEU A 88 -4.186 -2.334 -9.706 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.332 -1.299 -10.955 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.330 -0.811 -9.244 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.168 -2.028 -9.823 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -3.175 -3.517 -11.620 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -2.048 -4.335 -10.512 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -3.796 -4.650 -10.396 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.935 -1.726 -5.066 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.428 -2.029 -3.730 1.00 15.00 C ATOM 1309 C LEU A 89 -5.930 -2.267 -3.715 1.00 15.00 C ATOM 1310 O LEU A 89 -6.563 -2.447 -4.755 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.097 -0.891 -2.760 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.078 0.124 -3.260 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -3.111 1.364 -2.390 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.692 -0.487 -3.267 1.00 15.00 C ATOM 0 H LEU A 89 -4.161 -0.788 -5.397 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.929 -2.945 -3.414 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -5.020 -0.364 -2.518 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.725 -1.325 -1.832 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.333 0.410 -4.281 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.379 2.084 -2.755 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -4.106 1.808 -2.426 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.872 1.093 -1.362 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.972 0.248 -3.626 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.424 -0.793 -2.256 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.681 -1.357 -3.924 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.487 -2.242 -2.511 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.915 -2.428 -2.308 1.00 15.00 C ATOM 1328 C GLU A 90 -8.408 -1.470 -1.227 1.00 15.00 C ATOM 1329 O GLU A 90 -7.760 -1.301 -0.194 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.218 -3.887 -1.935 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.233 -4.054 -0.810 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.785 -5.464 -0.729 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -9.139 -6.386 -1.270 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -10.863 -5.645 -0.126 1.00 15.00 O ATOM 0 H GLU A 90 -5.961 -2.092 -1.650 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.443 -2.206 -3.236 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.587 -4.406 -2.820 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.288 -4.375 -1.644 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -8.764 -3.796 0.139 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.055 -3.354 -0.960 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.551 -0.840 -1.473 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.120 0.108 -0.521 1.00 15.00 C ATOM 1343 C LYS A 91 -10.111 -0.457 0.896 1.00 15.00 C ATOM 1344 O LYS A 91 -10.932 -1.306 1.244 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.544 0.477 -0.930 1.00 15.00 C ATOM 1346 CG LYS A 91 -12.095 1.678 -0.179 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.477 2.976 -0.673 1.00 15.00 C ATOM 1348 CE LYS A 91 -11.750 3.197 -2.152 1.00 15.00 C ATOM 1349 NZ LYS A 91 -11.646 4.634 -2.528 1.00 15.00 N ATOM 0 H LYS A 91 -10.102 -0.968 -2.322 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.501 1.005 -0.531 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.564 0.686 -2.000 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.197 -0.379 -0.760 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.177 1.720 -0.301 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.899 1.563 0.887 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -11.877 3.812 -0.099 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -10.401 2.957 -0.500 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -11.042 2.615 -2.743 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -12.747 2.829 -2.396 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -11.839 4.742 -3.544 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -12.339 5.186 -1.983 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -10.687 4.979 -2.319 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.173 0.020 1.708 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.067 -0.446 3.077 1.00 15.00 C ATOM 1365 C GLY A 92 -10.286 -0.095 3.907 1.00 15.00 C ATOM 1366 O GLY A 92 -10.961 0.900 3.642 1.00 15.00 O ATOM 0 H GLY A 92 -8.483 0.722 1.441 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -8.929 -1.527 3.079 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.180 -0.011 3.538 1.00 15.00 H new ATOM 1370 N GLN A 93 -10.568 -0.914 4.915 1.00 15.00 N ATOM 1371 CA GLN A 93 -11.714 -0.687 5.788 1.00 15.00 C ATOM 1372 C GLN A 93 -11.349 0.259 6.928 1.00 15.00 C ATOM 1373 O GLN A 93 -10.756 -0.155 7.924 1.00 15.00 O ATOM 1374 CB GLN A 93 -12.223 -2.014 6.353 1.00 15.00 C ATOM 1375 CG GLN A 93 -12.912 -2.891 5.321 1.00 15.00 C ATOM 1376 CD GLN A 93 -11.936 -3.751 4.543 1.00 15.00 C ATOM 1377 OE1 GLN A 93 -11.900 -3.712 3.313 1.00 15.00 O ATOM 1378 NE2 GLN A 93 -11.138 -4.536 5.258 1.00 15.00 N ATOM 0 H GLN A 93 -10.018 -1.741 5.148 1.00 15.00 H new ATOM 0 HA GLN A 93 -12.505 -0.226 5.196 1.00 15.00 H new ATOM 0 HB2 GLN A 93 -11.384 -2.562 6.781 1.00 15.00 H new ATOM 0 HB3 GLN A 93 -12.919 -1.810 7.167 1.00 15.00 H new ATOM 0 HG2 GLN A 93 -13.638 -3.533 5.821 1.00 15.00 H new ATOM 0 HG3 GLN A 93 -13.468 -2.261 4.627 1.00 15.00 H new ATOM 0 HE21 GLN A 93 -11.202 -4.537 6.276 1.00 15.00 H new ATOM 0 HE22 GLN A 93 -10.461 -5.138 4.789 1.00 15.00 H new ATOM 1387 N SER A 94 -11.707 1.529 6.774 1.00 15.00 N ATOM 1388 CA SER A 94 -11.416 2.534 7.791 1.00 15.00 C ATOM 1389 C SER A 94 -12.550 2.622 8.809 1.00 15.00 C ATOM 1390 O SER A 94 -13.660 2.155 8.557 1.00 15.00 O ATOM 1391 CB SER A 94 -11.193 3.899 7.139 1.00 15.00 C ATOM 1392 OG SER A 94 -11.926 4.014 5.931 1.00 15.00 O ATOM 0 H SER A 94 -12.199 1.887 5.955 1.00 15.00 H new ATOM 0 HA SER A 94 -10.507 2.235 8.312 1.00 15.00 H new ATOM 0 HB2 SER A 94 -11.495 4.688 7.828 1.00 15.00 H new ATOM 0 HB3 SER A 94 -10.131 4.040 6.938 1.00 15.00 H new ATOM 0 HG SER A 94 -11.768 4.896 5.535 1.00 15.00 H new ATOM 1398 N PRO A 95 -12.283 3.228 9.979 1.00 15.00 N ATOM 1399 CA PRO A 95 -13.287 3.377 11.037 1.00 15.00 C ATOM 1400 C PRO A 95 -14.585 3.990 10.523 1.00 15.00 C ATOM 1401 O PRO A 95 -15.657 3.755 11.079 1.00 15.00 O ATOM 1402 CB PRO A 95 -12.611 4.318 12.038 1.00 15.00 C ATOM 1403 CG PRO A 95 -11.152 4.112 11.824 1.00 15.00 C ATOM 1404 CD PRO A 95 -10.985 3.815 10.360 1.00 15.00 C ATOM 0 HA PRO A 95 -13.576 2.416 11.462 1.00 15.00 H new ATOM 0 HB2 PRO A 95 -12.895 5.355 11.860 1.00 15.00 H new ATOM 0 HB3 PRO A 95 -12.899 4.080 13.062 1.00 15.00 H new ATOM 0 HG2 PRO A 95 -10.587 4.999 12.109 1.00 15.00 H new ATOM 0 HG3 PRO A 95 -10.781 3.288 12.434 1.00 15.00 H new ATOM 0 HD2 PRO A 95 -10.770 4.718 9.789 1.00 15.00 H new ATOM 0 HD3 PRO A 95 -10.163 3.122 10.182 1.00 15.00 H new ATOM 1412 N THR A 96 -14.480 4.776 9.456 1.00 15.00 N ATOM 1413 CA THR A 96 -15.646 5.423 8.866 1.00 15.00 C ATOM 1414 C THR A 96 -16.302 4.518 7.827 1.00 15.00 C ATOM 1415 O THR A 96 -17.469 4.779 7.469 1.00 15.00 O ATOM 1416 CB THR A 96 -15.247 6.751 8.222 1.00 15.00 C ATOM 1417 OG1 THR A 96 -14.522 6.531 7.026 1.00 15.00 O ATOM 1418 CG2 THR A 96 -14.395 7.620 9.122 1.00 15.00 C ATOM 1419 OXT THR A 96 -15.642 3.556 7.381 1.00 15.00 O ATOM 0 H THR A 96 -13.600 4.980 8.983 1.00 15.00 H new ATOM 0 HA THR A 96 -16.366 5.615 9.662 1.00 15.00 H new ATOM 0 HB THR A 96 -16.185 7.270 8.025 1.00 15.00 H new ATOM 0 HG1 THR A 96 -14.277 7.393 6.628 1.00 15.00 H new ATOM 0 HG21 THR A 96 -14.147 8.547 8.604 1.00 15.00 H new ATOM 0 HG22 THR A 96 -14.946 7.850 10.034 1.00 15.00 H new ATOM 0 HG23 THR A 96 -13.477 7.090 9.377 1.00 15.00 H new TER 1427 THR A 96