USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 802 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 Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.68 X(o=-1.7,f=-2.1!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.19) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.265 K(o=-0.27,f=-2.6!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= 0.0449 (180deg=0.029) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.524 X(o=-0.52,f=-0.24) USER MOD Single : A 36 THR OG1 : rot -75:sc= 1.15 USER MOD Single : A 37 HIS : no HD1:sc= -0.0461 X(o=-0.046,f=-0.017) USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 0.384 (180deg=0.335) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.0275 X(o=-0.027,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 CYS SG : rot 71:sc= -17.1! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.992 K(o=-0.99,f=-2.1!) USER MOD Single : A 58 GLN : amide:sc= -6.16! C(o=-6.2!,f=-4.6!) USER MOD Single : A 67 ASN : amide:sc= -0.0375 X(o=-0.037,f=-0.43) USER MOD Single : A 68 GLN : amide:sc= -0.644 K(o=-0.64,f=-1.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -75:sc= 0.658 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc=-0.00425 K(o=-0.0043,f=-0.62) USER MOD Single : A 90 HIS : no HD1:sc= -0.732 K(o=-0.73,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.0699 K(o=-0.07,f=-0.95) USER MOD Single : A 101 MET CE :methyl 179:sc= 0 (180deg=-0.000692) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -15.610 2.105 -9.328 1.00 0.00 N ATOM 2 CA LYS A 6 -16.279 2.848 -8.274 1.00 0.00 C ATOM 3 C LYS A 6 -15.240 3.345 -7.267 1.00 0.00 C ATOM 4 O LYS A 6 -15.343 3.063 -6.074 1.00 0.00 O ATOM 5 CB LYS A 6 -17.390 2.003 -7.646 1.00 0.00 C ATOM 6 CG LYS A 6 -18.768 2.592 -7.955 1.00 0.00 C ATOM 7 CD LYS A 6 -19.787 1.486 -8.236 1.00 0.00 C ATOM 8 CE LYS A 6 -20.340 1.598 -9.658 1.00 0.00 C ATOM 9 NZ LYS A 6 -21.617 0.859 -9.777 1.00 0.00 N ATOM 0 HA LYS A 6 -16.773 3.729 -8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.334 0.982 -8.025 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.246 1.951 -6.567 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.106 3.197 -7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.699 3.255 -8.817 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.318 0.511 -8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -20.605 1.549 -7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.495 2.646 -9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -19.615 1.201 -10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -21.979 0.945 -10.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.459 -0.145 -9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -22.311 1.256 -9.112 1.00 0.00 H new ATOM 23 N GLU A 7 -14.264 4.076 -7.784 1.00 0.00 N ATOM 24 CA GLU A 7 -13.207 4.614 -6.944 1.00 0.00 C ATOM 25 C GLU A 7 -12.405 5.668 -7.711 1.00 0.00 C ATOM 26 O GLU A 7 -11.465 5.335 -8.431 1.00 0.00 O ATOM 27 CB GLU A 7 -12.295 3.499 -6.428 1.00 0.00 C ATOM 28 CG GLU A 7 -12.919 2.795 -5.222 1.00 0.00 C ATOM 29 CD GLU A 7 -11.840 2.319 -4.247 1.00 0.00 C ATOM 30 OE1 GLU A 7 -10.791 1.855 -4.743 1.00 0.00 O ATOM 31 OE2 GLU A 7 -12.089 2.430 -3.027 1.00 0.00 O ATOM 0 H GLU A 7 -14.183 4.309 -8.774 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.665 5.093 -6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.114 2.775 -7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.327 3.916 -6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.601 3.475 -4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.511 1.944 -5.559 1.00 0.00 H new ATOM 38 N ARG A 8 -12.807 6.917 -7.531 1.00 0.00 N ATOM 39 CA ARG A 8 -12.137 8.022 -8.197 1.00 0.00 C ATOM 40 C ARG A 8 -10.676 8.103 -7.752 1.00 0.00 C ATOM 41 O ARG A 8 -9.847 7.300 -8.179 1.00 0.00 O ATOM 42 CB ARG A 8 -12.831 9.351 -7.892 1.00 0.00 C ATOM 43 CG ARG A 8 -13.283 9.411 -6.432 1.00 0.00 C ATOM 44 CD ARG A 8 -14.808 9.357 -6.328 1.00 0.00 C ATOM 45 NE ARG A 8 -15.232 8.048 -5.782 1.00 0.00 N ATOM 46 CZ ARG A 8 -16.485 7.577 -5.846 1.00 0.00 C ATOM 47 NH1 ARG A 8 -17.445 8.305 -6.433 1.00 0.00 N ATOM 48 NH2 ARG A 8 -16.778 6.379 -5.324 1.00 0.00 N ATOM 0 H ARG A 8 -13.588 7.189 -6.934 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.183 7.839 -9.271 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.151 10.177 -8.100 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.692 9.475 -8.548 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -12.847 8.579 -5.878 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.916 10.328 -5.971 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.166 10.161 -5.685 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.254 9.512 -7.311 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.526 7.468 -5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -17.222 9.217 -6.831 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.399 7.947 -6.482 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.047 5.825 -4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.732 6.021 -5.373 1.00 0.00 H new ATOM 62 N LEU A 9 -10.404 9.080 -6.899 1.00 0.00 N ATOM 63 CA LEU A 9 -9.056 9.276 -6.391 1.00 0.00 C ATOM 64 C LEU A 9 -8.473 7.926 -5.969 1.00 0.00 C ATOM 65 O LEU A 9 -7.339 7.600 -6.315 1.00 0.00 O ATOM 66 CB LEU A 9 -9.052 10.323 -5.276 1.00 0.00 C ATOM 67 CG LEU A 9 -9.162 9.784 -3.848 1.00 0.00 C ATOM 68 CD1 LEU A 9 -8.508 10.740 -2.849 1.00 0.00 C ATOM 69 CD2 LEU A 9 -10.618 9.484 -3.486 1.00 0.00 C ATOM 0 H LEU A 9 -11.093 9.744 -6.547 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.408 9.673 -7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.133 10.904 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.880 11.011 -5.448 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.617 8.842 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.600 10.333 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.453 10.860 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.004 11.710 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.668 9.102 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.207 10.398 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.017 8.738 -4.173 1.00 0.00 H new ATOM 81 N GLU A 10 -9.276 7.176 -5.227 1.00 0.00 N ATOM 82 CA GLU A 10 -8.854 5.869 -4.755 1.00 0.00 C ATOM 83 C GLU A 10 -8.027 5.158 -5.828 1.00 0.00 C ATOM 84 O GLU A 10 -6.825 4.959 -5.660 1.00 0.00 O ATOM 85 CB GLU A 10 -10.058 5.021 -4.339 1.00 0.00 C ATOM 86 CG GLU A 10 -10.198 4.978 -2.816 1.00 0.00 C ATOM 87 CD GLU A 10 -10.542 6.361 -2.258 1.00 0.00 C ATOM 88 OE1 GLU A 10 -11.679 6.810 -2.518 1.00 0.00 O ATOM 89 OE2 GLU A 10 -9.661 6.936 -1.584 1.00 0.00 O ATOM 0 H GLU A 10 -10.216 7.449 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.227 6.008 -3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.966 5.432 -4.780 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.945 4.008 -4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.976 4.266 -2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.268 4.624 -2.372 1.00 0.00 H new ATOM 96 N ASN A 11 -8.704 4.794 -6.907 1.00 0.00 N ATOM 97 CA ASN A 11 -8.047 4.110 -8.007 1.00 0.00 C ATOM 98 C ASN A 11 -6.741 4.831 -8.344 1.00 0.00 C ATOM 99 O ASN A 11 -5.739 4.193 -8.662 1.00 0.00 O ATOM 100 CB ASN A 11 -8.925 4.112 -9.260 1.00 0.00 C ATOM 101 CG ASN A 11 -9.920 2.950 -9.234 1.00 0.00 C ATOM 102 OD1 ASN A 11 -9.643 1.872 -8.734 1.00 0.00 O ATOM 103 ND2 ASN A 11 -11.092 3.228 -9.800 1.00 0.00 N ATOM 0 H ASN A 11 -9.701 4.960 -7.043 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.859 3.081 -7.700 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.465 5.056 -9.329 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.298 4.038 -10.148 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.823 2.518 -9.834 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.259 4.151 -10.200 1.00 0.00 H new ATOM 110 N ASP A 12 -6.794 6.153 -8.263 1.00 0.00 N ATOM 111 CA ASP A 12 -5.628 6.968 -8.555 1.00 0.00 C ATOM 112 C ASP A 12 -4.477 6.553 -7.636 1.00 0.00 C ATOM 113 O ASP A 12 -3.367 6.299 -8.101 1.00 0.00 O ATOM 114 CB ASP A 12 -5.917 8.451 -8.311 1.00 0.00 C ATOM 115 CG ASP A 12 -5.275 9.409 -9.317 1.00 0.00 C ATOM 116 OD1 ASP A 12 -4.027 9.411 -9.381 1.00 0.00 O ATOM 117 OD2 ASP A 12 -6.048 10.118 -9.998 1.00 0.00 O ATOM 0 H ASP A 12 -7.627 6.679 -7.999 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.367 6.819 -9.603 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.996 8.603 -8.326 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.572 8.713 -7.311 1.00 0.00 H new ATOM 122 N ILE A 13 -4.782 6.498 -6.348 1.00 0.00 N ATOM 123 CA ILE A 13 -3.787 6.118 -5.360 1.00 0.00 C ATOM 124 C ILE A 13 -3.287 4.704 -5.663 1.00 0.00 C ATOM 125 O ILE A 13 -2.114 4.399 -5.456 1.00 0.00 O ATOM 126 CB ILE A 13 -4.347 6.282 -3.945 1.00 0.00 C ATOM 127 CG1 ILE A 13 -4.845 7.710 -3.715 1.00 0.00 C ATOM 128 CG2 ILE A 13 -3.318 5.857 -2.895 1.00 0.00 C ATOM 129 CD1 ILE A 13 -6.323 7.718 -3.318 1.00 0.00 C ATOM 0 H ILE A 13 -5.704 6.710 -5.966 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.923 6.781 -5.415 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.207 5.620 -3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.252 8.184 -2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.705 8.298 -4.622 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.741 5.984 -1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.054 4.810 -3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.425 6.474 -2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.652 8.745 -3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.916 7.265 -4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.456 7.149 -2.398 1.00 0.00 H new ATOM 141 N ILE A 14 -4.203 3.878 -6.149 1.00 0.00 N ATOM 142 CA ILE A 14 -3.869 2.504 -6.482 1.00 0.00 C ATOM 143 C ILE A 14 -2.836 2.494 -7.611 1.00 0.00 C ATOM 144 O ILE A 14 -1.850 1.762 -7.548 1.00 0.00 O ATOM 145 CB ILE A 14 -5.136 1.708 -6.801 1.00 0.00 C ATOM 146 CG1 ILE A 14 -5.764 1.142 -5.526 1.00 0.00 C ATOM 147 CG2 ILE A 14 -4.852 0.615 -7.834 1.00 0.00 C ATOM 148 CD1 ILE A 14 -5.744 2.177 -4.399 1.00 0.00 C ATOM 0 H ILE A 14 -5.175 4.134 -6.320 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.412 2.005 -5.627 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.864 2.388 -7.244 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.791 0.837 -5.727 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.222 0.249 -5.214 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.769 0.064 -8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.485 1.070 -8.754 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.099 -0.069 -7.442 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.196 1.749 -3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.714 2.461 -4.185 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.308 3.058 -4.704 1.00 0.00 H new ATOM 160 N ARG A 15 -3.098 3.315 -8.617 1.00 0.00 N ATOM 161 CA ARG A 15 -2.204 3.410 -9.758 1.00 0.00 C ATOM 162 C ARG A 15 -0.885 4.067 -9.345 1.00 0.00 C ATOM 163 O ARG A 15 0.138 3.882 -10.003 1.00 0.00 O ATOM 164 CB ARG A 15 -2.838 4.222 -10.889 1.00 0.00 C ATOM 165 CG ARG A 15 -1.873 4.368 -12.067 1.00 0.00 C ATOM 166 CD ARG A 15 -2.550 5.066 -13.248 1.00 0.00 C ATOM 167 NE ARG A 15 -1.788 6.277 -13.626 1.00 0.00 N ATOM 168 CZ ARG A 15 -2.034 7.008 -14.721 1.00 0.00 C ATOM 169 NH1 ARG A 15 -3.023 6.656 -15.554 1.00 0.00 N ATOM 170 NH2 ARG A 15 -1.291 8.092 -14.984 1.00 0.00 N ATOM 0 H ARG A 15 -3.917 3.921 -8.666 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.014 2.398 -10.116 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.754 3.734 -11.223 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.119 5.208 -10.520 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.998 4.938 -11.756 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.519 3.384 -12.376 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.611 4.385 -14.097 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.572 5.337 -12.983 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.028 6.574 -13.014 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.589 5.831 -15.354 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.210 7.213 -16.388 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.538 8.360 -14.350 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.478 8.649 -15.818 1.00 0.00 H new ATOM 184 N LEU A 16 -0.951 4.822 -8.258 1.00 0.00 N ATOM 185 CA LEU A 16 0.224 5.507 -7.750 1.00 0.00 C ATOM 186 C LEU A 16 1.246 4.473 -7.273 1.00 0.00 C ATOM 187 O LEU A 16 2.382 4.454 -7.744 1.00 0.00 O ATOM 188 CB LEU A 16 -0.170 6.523 -6.676 1.00 0.00 C ATOM 189 CG LEU A 16 -0.316 7.972 -7.145 1.00 0.00 C ATOM 190 CD1 LEU A 16 1.033 8.545 -7.584 1.00 0.00 C ATOM 191 CD2 LEU A 16 -1.373 8.089 -8.245 1.00 0.00 C ATOM 0 H LEU A 16 -1.801 4.974 -7.715 1.00 0.00 H new ATOM 0 HA LEU A 16 0.700 6.084 -8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.116 6.208 -6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.577 6.492 -5.883 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.661 8.570 -6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.901 9.576 -7.913 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.730 8.518 -6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.431 7.950 -8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.457 9.129 -8.560 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.082 7.474 -9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.335 7.747 -7.863 1.00 0.00 H new ATOM 203 N ILE A 17 0.805 3.638 -6.344 1.00 0.00 N ATOM 204 CA ILE A 17 1.667 2.603 -5.798 1.00 0.00 C ATOM 205 C ILE A 17 2.189 1.727 -6.938 1.00 0.00 C ATOM 206 O ILE A 17 3.316 1.235 -6.881 1.00 0.00 O ATOM 207 CB ILE A 17 0.937 1.820 -4.705 1.00 0.00 C ATOM 208 CG1 ILE A 17 1.109 2.492 -3.341 1.00 0.00 C ATOM 209 CG2 ILE A 17 1.388 0.358 -4.684 1.00 0.00 C ATOM 210 CD1 ILE A 17 2.589 2.608 -2.970 1.00 0.00 C ATOM 0 H ILE A 17 -0.138 3.657 -5.955 1.00 0.00 H new ATOM 0 HA ILE A 17 2.536 3.047 -5.313 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.129 1.825 -4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.656 3.483 -3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.583 1.916 -2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.854 -0.176 -3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.172 -0.103 -5.648 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.460 0.311 -4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.683 3.089 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.033 1.613 -2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.107 3.205 -3.721 1.00 0.00 H new ATOM 222 N ASN A 18 1.346 1.557 -7.946 1.00 0.00 N ATOM 223 CA ASN A 18 1.709 0.748 -9.097 1.00 0.00 C ATOM 224 C ASN A 18 2.837 1.440 -9.865 1.00 0.00 C ATOM 225 O ASN A 18 3.794 0.792 -10.288 1.00 0.00 O ATOM 226 CB ASN A 18 0.523 0.581 -10.048 1.00 0.00 C ATOM 227 CG ASN A 18 0.683 -0.673 -10.910 1.00 0.00 C ATOM 228 OD1 ASN A 18 1.142 -0.628 -12.039 1.00 0.00 O ATOM 229 ND2 ASN A 18 0.280 -1.793 -10.315 1.00 0.00 N ATOM 0 H ASN A 18 0.413 1.966 -7.989 1.00 0.00 H new ATOM 0 HA ASN A 18 2.023 -0.232 -8.736 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.401 0.516 -9.474 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.440 1.459 -10.689 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.346 -2.684 -10.807 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.095 -1.760 -9.367 1.00 0.00 H new ATOM 236 N ARG A 19 2.688 2.747 -10.024 1.00 0.00 N ATOM 237 CA ARG A 19 3.682 3.533 -10.734 1.00 0.00 C ATOM 238 C ARG A 19 5.069 3.310 -10.126 1.00 0.00 C ATOM 239 O ARG A 19 6.066 3.271 -10.844 1.00 0.00 O ATOM 240 CB ARG A 19 3.345 5.024 -10.682 1.00 0.00 C ATOM 241 CG ARG A 19 2.393 5.410 -11.816 1.00 0.00 C ATOM 242 CD ARG A 19 3.111 6.252 -12.873 1.00 0.00 C ATOM 243 NE ARG A 19 2.474 7.583 -12.980 1.00 0.00 N ATOM 244 CZ ARG A 19 2.768 8.622 -12.186 1.00 0.00 C ATOM 245 NH1 ARG A 19 3.691 8.491 -11.224 1.00 0.00 N ATOM 246 NH2 ARG A 19 2.139 9.793 -12.355 1.00 0.00 N ATOM 0 H ARG A 19 1.893 3.281 -9.673 1.00 0.00 H new ATOM 0 HA ARG A 19 3.680 3.207 -11.774 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.889 5.264 -9.722 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.261 5.610 -10.756 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.987 4.510 -12.277 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.549 5.969 -11.412 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.162 6.363 -12.608 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.077 5.745 -13.837 1.00 0.00 H new ATOM 0 HE ARG A 19 1.767 7.718 -13.703 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.171 7.600 -11.095 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.914 9.282 -10.620 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.437 9.894 -13.088 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.363 10.584 -11.751 1.00 0.00 H new ATOM 260 N THR A 20 5.086 3.168 -8.809 1.00 0.00 N ATOM 261 CA THR A 20 6.334 2.950 -8.096 1.00 0.00 C ATOM 262 C THR A 20 6.790 1.498 -8.253 1.00 0.00 C ATOM 263 O THR A 20 7.982 1.231 -8.401 1.00 0.00 O ATOM 264 CB THR A 20 6.125 3.367 -6.639 1.00 0.00 C ATOM 265 OG1 THR A 20 7.225 4.230 -6.364 1.00 0.00 O ATOM 266 CG2 THR A 20 6.312 2.203 -5.664 1.00 0.00 C ATOM 0 H THR A 20 4.256 3.200 -8.217 1.00 0.00 H new ATOM 0 HA THR A 20 7.138 3.558 -8.511 1.00 0.00 H new ATOM 0 HB THR A 20 5.124 3.782 -6.520 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.167 4.549 -5.439 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.152 2.553 -4.644 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.593 1.417 -5.894 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.324 1.809 -5.758 1.00 0.00 H new ATOM 274 N VAL A 21 5.818 0.598 -8.216 1.00 0.00 N ATOM 275 CA VAL A 21 6.105 -0.820 -8.352 1.00 0.00 C ATOM 276 C VAL A 21 6.577 -1.106 -9.779 1.00 0.00 C ATOM 277 O VAL A 21 7.013 -2.215 -10.082 1.00 0.00 O ATOM 278 CB VAL A 21 4.879 -1.643 -7.951 1.00 0.00 C ATOM 279 CG1 VAL A 21 5.131 -3.138 -8.157 1.00 0.00 C ATOM 280 CG2 VAL A 21 4.470 -1.350 -6.506 1.00 0.00 C ATOM 0 H VAL A 21 4.831 0.823 -8.094 1.00 0.00 H new ATOM 0 HA VAL A 21 6.911 -1.113 -7.679 1.00 0.00 H new ATOM 0 HB VAL A 21 4.053 -1.350 -8.599 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.244 -3.700 -7.864 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.351 -3.329 -9.207 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.977 -3.452 -7.546 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.596 -1.948 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.293 -1.601 -5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.229 -0.292 -6.404 1.00 0.00 H new ATOM 290 N ILE A 22 6.473 -0.085 -10.618 1.00 0.00 N ATOM 291 CA ILE A 22 6.884 -0.213 -12.006 1.00 0.00 C ATOM 292 C ILE A 22 8.261 -0.876 -12.067 1.00 0.00 C ATOM 293 O ILE A 22 8.413 -1.947 -12.652 1.00 0.00 O ATOM 294 CB ILE A 22 6.823 1.144 -12.709 1.00 0.00 C ATOM 295 CG1 ILE A 22 5.375 1.553 -12.989 1.00 0.00 C ATOM 296 CG2 ILE A 22 7.674 1.141 -13.981 1.00 0.00 C ATOM 297 CD1 ILE A 22 4.701 0.563 -13.941 1.00 0.00 C ATOM 0 H ILE A 22 6.110 0.834 -10.363 1.00 0.00 H new ATOM 0 HA ILE A 22 6.195 -0.859 -12.550 1.00 0.00 H new ATOM 0 HB ILE A 22 7.245 1.894 -12.040 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.819 1.599 -12.053 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.353 2.553 -13.423 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.613 2.117 -14.462 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.711 0.927 -13.724 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.304 0.377 -14.664 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.673 0.876 -14.124 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.246 0.537 -14.885 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.703 -0.431 -13.494 1.00 0.00 H new ATOM 309 N HIS A 23 9.230 -0.212 -11.454 1.00 0.00 N ATOM 310 CA HIS A 23 10.590 -0.724 -11.431 1.00 0.00 C ATOM 311 C HIS A 23 11.292 -0.258 -10.155 1.00 0.00 C ATOM 312 O HIS A 23 12.514 -0.120 -10.129 1.00 0.00 O ATOM 313 CB HIS A 23 11.342 -0.324 -12.702 1.00 0.00 C ATOM 314 CG HIS A 23 12.632 -1.079 -12.916 1.00 0.00 C ATOM 315 ND1 HIS A 23 13.564 -0.716 -13.872 1.00 0.00 N ATOM 316 CD2 HIS A 23 13.135 -2.181 -12.287 1.00 0.00 C ATOM 317 CE1 HIS A 23 14.578 -1.567 -13.813 1.00 0.00 C ATOM 318 NE2 HIS A 23 14.309 -2.475 -12.830 1.00 0.00 N ATOM 0 H HIS A 23 9.100 0.676 -10.969 1.00 0.00 H new ATOM 0 HA HIS A 23 10.572 -1.814 -11.417 1.00 0.00 H new ATOM 0 HB2 HIS A 23 10.692 -0.485 -13.562 1.00 0.00 H new ATOM 0 HB3 HIS A 23 11.560 0.743 -12.662 1.00 0.00 H new ATOM 0 HD2 HIS A 23 12.658 -2.722 -11.483 1.00 0.00 H new ATOM 0 HE1 HIS A 23 15.462 -1.546 -14.433 1.00 0.00 H new ATOM 0 HE2 HIS A 23 14.912 -3.252 -12.558 1.00 0.00 H new ATOM 327 N GLU A 24 10.490 -0.029 -9.126 1.00 0.00 N ATOM 328 CA GLU A 24 11.019 0.419 -7.849 1.00 0.00 C ATOM 329 C GLU A 24 10.627 -0.560 -6.740 1.00 0.00 C ATOM 330 O GLU A 24 10.412 -0.156 -5.598 1.00 0.00 O ATOM 331 CB GLU A 24 10.542 1.836 -7.524 1.00 0.00 C ATOM 332 CG GLU A 24 11.729 2.775 -7.298 1.00 0.00 C ATOM 333 CD GLU A 24 12.668 2.224 -6.224 1.00 0.00 C ATOM 334 OE1 GLU A 24 12.451 1.060 -5.822 1.00 0.00 O ATOM 335 OE2 GLU A 24 13.583 2.978 -5.828 1.00 0.00 O ATOM 0 H GLU A 24 9.477 -0.145 -9.150 1.00 0.00 H new ATOM 0 HA GLU A 24 12.107 0.445 -7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.926 2.213 -8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.914 1.817 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.276 2.906 -8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.367 3.759 -7.000 1.00 0.00 H new ATOM 342 N ILE A 25 10.547 -1.828 -7.114 1.00 0.00 N ATOM 343 CA ILE A 25 10.185 -2.867 -6.165 1.00 0.00 C ATOM 344 C ILE A 25 10.958 -4.145 -6.496 1.00 0.00 C ATOM 345 O ILE A 25 10.539 -4.926 -7.349 1.00 0.00 O ATOM 346 CB ILE A 25 8.667 -3.058 -6.133 1.00 0.00 C ATOM 347 CG1 ILE A 25 7.964 -1.779 -5.673 1.00 0.00 C ATOM 348 CG2 ILE A 25 8.284 -4.264 -5.272 1.00 0.00 C ATOM 349 CD1 ILE A 25 8.202 -1.528 -4.183 1.00 0.00 C ATOM 0 H ILE A 25 10.727 -2.160 -8.062 1.00 0.00 H new ATOM 0 HA ILE A 25 10.468 -2.575 -5.154 1.00 0.00 H new ATOM 0 HB ILE A 25 8.327 -3.266 -7.148 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.330 -0.931 -6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.894 -1.858 -5.866 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.200 -4.377 -5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.741 -5.164 -5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.638 -4.111 -4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.692 -0.613 -3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.813 -2.367 -3.606 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.271 -1.425 -3.998 1.00 0.00 H new ATOM 361 N TYR A 26 12.073 -4.320 -5.802 1.00 0.00 N ATOM 362 CA TYR A 26 12.909 -5.490 -6.011 1.00 0.00 C ATOM 363 C TYR A 26 12.059 -6.721 -6.330 1.00 0.00 C ATOM 364 O TYR A 26 11.567 -7.393 -5.424 1.00 0.00 O ATOM 365 CB TYR A 26 13.646 -5.723 -4.690 1.00 0.00 C ATOM 366 CG TYR A 26 14.985 -6.449 -4.845 1.00 0.00 C ATOM 367 CD1 TYR A 26 15.945 -5.951 -5.702 1.00 0.00 C ATOM 368 CD2 TYR A 26 15.232 -7.601 -4.126 1.00 0.00 C ATOM 369 CE1 TYR A 26 17.204 -6.633 -5.847 1.00 0.00 C ATOM 370 CE2 TYR A 26 16.491 -8.283 -4.271 1.00 0.00 C ATOM 371 CZ TYR A 26 17.415 -7.766 -5.125 1.00 0.00 C ATOM 372 OH TYR A 26 18.605 -8.411 -5.262 1.00 0.00 O ATOM 0 H TYR A 26 12.417 -3.671 -5.094 1.00 0.00 H new ATOM 0 HA TYR A 26 13.589 -5.331 -6.847 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.819 -4.761 -4.208 1.00 0.00 H new ATOM 0 HB3 TYR A 26 13.005 -6.302 -4.025 1.00 0.00 H new ATOM 0 HD1 TYR A 26 15.752 -5.049 -6.264 1.00 0.00 H new ATOM 0 HD2 TYR A 26 14.481 -7.990 -3.455 1.00 0.00 H new ATOM 0 HE1 TYR A 26 17.964 -6.254 -6.514 1.00 0.00 H new ATOM 0 HE2 TYR A 26 16.698 -9.185 -3.714 1.00 0.00 H new ATOM 0 HH TYR A 26 18.616 -9.203 -4.685 1.00 0.00 H new ATOM 382 N ASN A 27 11.911 -6.981 -7.621 1.00 0.00 N ATOM 383 CA ASN A 27 11.128 -8.119 -8.071 1.00 0.00 C ATOM 384 C ASN A 27 9.645 -7.746 -8.067 1.00 0.00 C ATOM 385 O ASN A 27 9.138 -7.213 -7.081 1.00 0.00 O ATOM 386 CB ASN A 27 11.317 -9.319 -7.141 1.00 0.00 C ATOM 387 CG ASN A 27 11.449 -10.617 -7.941 1.00 0.00 C ATOM 388 OD1 ASN A 27 11.745 -10.620 -9.124 1.00 0.00 O ATOM 389 ND2 ASN A 27 11.213 -11.716 -7.230 1.00 0.00 N ATOM 0 H ASN A 27 12.320 -6.423 -8.370 1.00 0.00 H new ATOM 0 HA ASN A 27 11.463 -8.384 -9.074 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.207 -9.173 -6.529 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.470 -9.392 -6.459 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.275 -12.633 -7.673 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.970 -11.642 -6.242 1.00 0.00 H new ATOM 396 N GLU A 28 8.990 -8.041 -9.180 1.00 0.00 N ATOM 397 CA GLU A 28 7.574 -7.744 -9.317 1.00 0.00 C ATOM 398 C GLU A 28 6.753 -8.626 -8.375 1.00 0.00 C ATOM 399 O GLU A 28 5.924 -9.416 -8.824 1.00 0.00 O ATOM 400 CB GLU A 28 7.116 -7.914 -10.767 1.00 0.00 C ATOM 401 CG GLU A 28 7.282 -6.611 -11.551 1.00 0.00 C ATOM 402 CD GLU A 28 7.039 -6.835 -13.045 1.00 0.00 C ATOM 403 OE1 GLU A 28 6.020 -7.486 -13.363 1.00 0.00 O ATOM 404 OE2 GLU A 28 7.877 -6.351 -13.835 1.00 0.00 O ATOM 0 H GLU A 28 9.414 -8.483 -9.996 1.00 0.00 H new ATOM 0 HA GLU A 28 7.413 -6.702 -9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.694 -8.706 -11.244 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.071 -8.225 -10.788 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.584 -5.864 -11.173 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.286 -6.215 -11.398 1.00 0.00 H new ATOM 411 N THR A 29 7.012 -8.463 -7.086 1.00 0.00 N ATOM 412 CA THR A 29 6.307 -9.235 -6.077 1.00 0.00 C ATOM 413 C THR A 29 5.012 -8.528 -5.673 1.00 0.00 C ATOM 414 O THR A 29 3.925 -8.933 -6.083 1.00 0.00 O ATOM 415 CB THR A 29 7.263 -9.467 -4.906 1.00 0.00 C ATOM 416 OG1 THR A 29 7.916 -10.692 -5.228 1.00 0.00 O ATOM 417 CG2 THR A 29 6.526 -9.769 -3.599 1.00 0.00 C ATOM 0 H THR A 29 7.701 -7.807 -6.717 1.00 0.00 H new ATOM 0 HA THR A 29 6.002 -10.207 -6.464 1.00 0.00 H new ATOM 0 HB THR A 29 7.893 -8.588 -4.772 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.556 -10.917 -4.521 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.251 -9.926 -2.800 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.880 -8.929 -3.343 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.921 -10.668 -3.721 1.00 0.00 H new ATOM 425 N VAL A 30 5.170 -7.483 -4.874 1.00 0.00 N ATOM 426 CA VAL A 30 4.026 -6.715 -4.411 1.00 0.00 C ATOM 427 C VAL A 30 3.165 -6.316 -5.610 1.00 0.00 C ATOM 428 O VAL A 30 1.981 -6.019 -5.458 1.00 0.00 O ATOM 429 CB VAL A 30 4.500 -5.515 -3.589 1.00 0.00 C ATOM 430 CG1 VAL A 30 5.556 -5.935 -2.564 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.030 -4.403 -4.497 1.00 0.00 C ATOM 0 H VAL A 30 6.073 -7.150 -4.535 1.00 0.00 H new ATOM 0 HA VAL A 30 3.403 -7.319 -3.751 1.00 0.00 H new ATOM 0 HB VAL A 30 3.641 -5.122 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.876 -5.063 -1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.131 -6.676 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.414 -6.365 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.360 -3.562 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.870 -4.780 -5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.238 -4.074 -5.170 1.00 0.00 H new ATOM 441 N LYS A 31 3.793 -6.322 -6.777 1.00 0.00 N ATOM 442 CA LYS A 31 3.099 -5.964 -8.002 1.00 0.00 C ATOM 443 C LYS A 31 1.919 -6.915 -8.211 1.00 0.00 C ATOM 444 O LYS A 31 1.026 -6.637 -9.011 1.00 0.00 O ATOM 445 CB LYS A 31 4.075 -5.927 -9.180 1.00 0.00 C ATOM 446 CG LYS A 31 3.500 -5.116 -10.343 1.00 0.00 C ATOM 447 CD LYS A 31 3.391 -5.971 -11.607 1.00 0.00 C ATOM 448 CE LYS A 31 3.620 -5.127 -12.862 1.00 0.00 C ATOM 449 NZ LYS A 31 3.337 -5.920 -14.079 1.00 0.00 N ATOM 0 H LYS A 31 4.775 -6.569 -6.900 1.00 0.00 H new ATOM 0 HA LYS A 31 2.688 -4.957 -7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.021 -5.490 -8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.289 -6.943 -9.511 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.516 -4.733 -10.073 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.135 -4.252 -10.538 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.123 -6.778 -11.569 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.406 -6.436 -11.652 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.978 -4.246 -12.837 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.650 -4.770 -12.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.315 -5.290 -14.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.081 -6.635 -14.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.416 -6.393 -13.979 1.00 0.00 H new ATOM 463 N THR A 32 1.952 -8.019 -7.478 1.00 0.00 N ATOM 464 CA THR A 32 0.896 -9.012 -7.573 1.00 0.00 C ATOM 465 C THR A 32 -0.174 -8.757 -6.511 1.00 0.00 C ATOM 466 O THR A 32 -1.356 -9.004 -6.743 1.00 0.00 O ATOM 467 CB THR A 32 1.539 -10.397 -7.467 1.00 0.00 C ATOM 468 OG1 THR A 32 0.452 -11.299 -7.649 1.00 0.00 O ATOM 469 CG2 THR A 32 2.045 -10.701 -6.055 1.00 0.00 C ATOM 0 H THR A 32 2.694 -8.247 -6.816 1.00 0.00 H new ATOM 0 HA THR A 32 0.379 -8.949 -8.531 1.00 0.00 H new ATOM 0 HB THR A 32 2.367 -10.468 -8.172 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.780 -12.221 -7.597 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.492 -11.695 -6.035 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.793 -9.961 -5.769 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.211 -10.664 -5.354 1.00 0.00 H new ATOM 477 N GLY A 33 0.279 -8.264 -5.367 1.00 0.00 N ATOM 478 CA GLY A 33 -0.625 -7.972 -4.268 1.00 0.00 C ATOM 479 C GLY A 33 -1.676 -6.939 -4.681 1.00 0.00 C ATOM 480 O GLY A 33 -1.464 -6.176 -5.623 1.00 0.00 O ATOM 0 H GLY A 33 1.260 -8.060 -5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.118 -8.889 -3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.058 -7.598 -3.416 1.00 0.00 H new ATOM 484 N HIS A 34 -2.786 -6.949 -3.958 1.00 0.00 N ATOM 485 CA HIS A 34 -3.869 -6.022 -4.238 1.00 0.00 C ATOM 486 C HIS A 34 -4.719 -5.832 -2.980 1.00 0.00 C ATOM 487 O HIS A 34 -5.366 -6.769 -2.515 1.00 0.00 O ATOM 488 CB HIS A 34 -4.689 -6.492 -5.441 1.00 0.00 C ATOM 489 CG HIS A 34 -4.582 -5.590 -6.647 1.00 0.00 C ATOM 490 ND1 HIS A 34 -5.449 -5.671 -7.723 1.00 0.00 N ATOM 491 CD2 HIS A 34 -3.703 -4.587 -6.935 1.00 0.00 C ATOM 492 CE1 HIS A 34 -5.098 -4.754 -8.613 1.00 0.00 C ATOM 493 NE2 HIS A 34 -4.016 -4.084 -8.123 1.00 0.00 N ATOM 0 H HIS A 34 -2.959 -7.584 -3.179 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.459 -5.049 -4.509 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.364 -7.494 -5.720 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -5.736 -6.566 -5.147 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.891 -4.258 -6.304 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.584 -4.570 -9.560 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.527 -3.321 -8.592 1.00 0.00 H new ATOM 502 N VAL A 35 -4.691 -4.611 -2.465 1.00 0.00 N ATOM 503 CA VAL A 35 -5.451 -4.285 -1.270 1.00 0.00 C ATOM 504 C VAL A 35 -6.944 -4.446 -1.561 1.00 0.00 C ATOM 505 O VAL A 35 -7.613 -5.279 -0.951 1.00 0.00 O ATOM 506 CB VAL A 35 -5.084 -2.882 -0.783 1.00 0.00 C ATOM 507 CG1 VAL A 35 -5.782 -2.561 0.540 1.00 0.00 C ATOM 508 CG2 VAL A 35 -3.568 -2.724 -0.656 1.00 0.00 C ATOM 0 H VAL A 35 -4.154 -3.836 -2.854 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.202 -4.971 -0.460 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.433 -2.167 -1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.504 -1.558 0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.862 -2.612 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.478 -3.284 1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.335 -1.718 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.185 -3.453 0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.102 -2.889 -1.628 1.00 0.00 H new ATOM 518 N THR A 36 -7.424 -3.636 -2.493 1.00 0.00 N ATOM 519 CA THR A 36 -8.826 -3.678 -2.872 1.00 0.00 C ATOM 520 C THR A 36 -9.709 -3.251 -1.698 1.00 0.00 C ATOM 521 O THR A 36 -10.930 -3.383 -1.755 1.00 0.00 O ATOM 522 CB THR A 36 -9.135 -5.087 -3.384 1.00 0.00 C ATOM 523 OG1 THR A 36 -9.649 -5.766 -2.242 1.00 0.00 O ATOM 524 CG2 THR A 36 -7.871 -5.869 -3.745 1.00 0.00 C ATOM 0 H THR A 36 -6.867 -2.946 -2.997 1.00 0.00 H new ATOM 0 HA THR A 36 -9.041 -2.971 -3.673 1.00 0.00 H new ATOM 0 HB THR A 36 -9.783 -5.022 -4.258 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.914 -5.981 -1.631 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.147 -6.861 -4.102 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.327 -5.340 -4.527 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.238 -5.964 -2.863 1.00 0.00 H new ATOM 532 N HIS A 37 -9.056 -2.747 -0.661 1.00 0.00 N ATOM 533 CA HIS A 37 -9.766 -2.299 0.525 1.00 0.00 C ATOM 534 C HIS A 37 -8.872 -1.360 1.335 1.00 0.00 C ATOM 535 O HIS A 37 -8.804 -1.462 2.559 1.00 0.00 O ATOM 536 CB HIS A 37 -10.266 -3.493 1.341 1.00 0.00 C ATOM 537 CG HIS A 37 -11.568 -3.240 2.064 1.00 0.00 C ATOM 538 ND1 HIS A 37 -11.698 -3.358 3.437 1.00 0.00 N ATOM 539 CD2 HIS A 37 -12.794 -2.875 1.591 1.00 0.00 C ATOM 540 CE1 HIS A 37 -12.950 -3.075 3.765 1.00 0.00 C ATOM 541 NE2 HIS A 37 -13.628 -2.776 2.619 1.00 0.00 N ATOM 0 H HIS A 37 -8.043 -2.639 -0.618 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.652 -1.736 0.232 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.391 -4.348 0.676 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -9.504 -3.766 2.071 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.044 -2.697 0.556 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -13.362 -3.080 4.763 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -14.613 -2.519 2.562 1.00 0.00 H new ATOM 550 N VAL A 38 -8.206 -0.465 0.619 1.00 0.00 N ATOM 551 CA VAL A 38 -7.319 0.493 1.257 1.00 0.00 C ATOM 552 C VAL A 38 -8.152 1.553 1.979 1.00 0.00 C ATOM 553 O VAL A 38 -8.981 2.222 1.364 1.00 0.00 O ATOM 554 CB VAL A 38 -6.362 1.088 0.222 1.00 0.00 C ATOM 555 CG1 VAL A 38 -7.093 2.062 -0.705 1.00 0.00 C ATOM 556 CG2 VAL A 38 -5.172 1.768 0.902 1.00 0.00 C ATOM 0 H VAL A 38 -8.263 -0.383 -0.396 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.701 -0.000 2.008 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.977 0.270 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.390 2.470 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.891 1.536 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.519 2.874 -0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.508 2.182 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.531 2.570 1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.628 1.037 1.500 1.00 0.00 H new ATOM 566 N LYS A 39 -7.904 1.673 3.275 1.00 0.00 N ATOM 567 CA LYS A 39 -8.622 2.640 4.088 1.00 0.00 C ATOM 568 C LYS A 39 -7.909 3.991 4.013 1.00 0.00 C ATOM 569 O LYS A 39 -6.927 4.219 4.718 1.00 0.00 O ATOM 570 CB LYS A 39 -8.797 2.115 5.515 1.00 0.00 C ATOM 571 CG LYS A 39 -9.093 3.259 6.487 1.00 0.00 C ATOM 572 CD LYS A 39 -10.483 3.847 6.234 1.00 0.00 C ATOM 573 CE LYS A 39 -10.396 5.101 5.361 1.00 0.00 C ATOM 574 NZ LYS A 39 -11.509 6.026 5.671 1.00 0.00 N ATOM 0 H LYS A 39 -7.216 1.117 3.782 1.00 0.00 H new ATOM 0 HA LYS A 39 -9.630 2.789 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.610 1.390 5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.893 1.592 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.029 2.895 7.513 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.339 4.038 6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.114 3.103 5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.956 4.093 7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.442 5.602 5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.430 4.821 4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.353 6.932 5.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.406 5.610 5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.551 6.187 6.698 1.00 0.00 H new ATOM 588 N LEU A 40 -8.432 4.853 3.153 1.00 0.00 N ATOM 589 CA LEU A 40 -7.858 6.176 2.977 1.00 0.00 C ATOM 590 C LEU A 40 -8.528 7.151 3.947 1.00 0.00 C ATOM 591 O LEU A 40 -9.754 7.224 4.011 1.00 0.00 O ATOM 592 CB LEU A 40 -7.946 6.608 1.512 1.00 0.00 C ATOM 593 CG LEU A 40 -6.909 7.634 1.051 1.00 0.00 C ATOM 594 CD1 LEU A 40 -6.948 8.886 1.930 1.00 0.00 C ATOM 595 CD2 LEU A 40 -5.511 7.014 0.999 1.00 0.00 C ATOM 0 H LEU A 40 -9.247 4.661 2.571 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.795 6.165 3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.853 5.721 0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.939 7.020 1.335 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.162 7.944 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.201 9.599 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.937 9.340 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.733 8.612 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.792 7.764 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.234 6.658 1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.510 6.177 0.300 1.00 0.00 H new ATOM 607 N SER A 41 -7.694 7.877 4.677 1.00 0.00 N ATOM 608 CA SER A 41 -8.191 8.845 5.641 1.00 0.00 C ATOM 609 C SER A 41 -7.163 9.961 5.838 1.00 0.00 C ATOM 610 O SER A 41 -5.960 9.729 5.730 1.00 0.00 O ATOM 611 CB SER A 41 -8.511 8.176 6.979 1.00 0.00 C ATOM 612 OG SER A 41 -9.551 8.852 7.679 1.00 0.00 O ATOM 0 H SER A 41 -6.677 7.815 4.621 1.00 0.00 H new ATOM 0 HA SER A 41 -9.114 9.274 5.251 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.804 7.141 6.806 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.613 8.154 7.597 1.00 0.00 H new ATOM 0 HG SER A 41 -9.727 8.393 8.527 1.00 0.00 H new ATOM 618 N ASP A 42 -7.676 11.149 6.123 1.00 0.00 N ATOM 619 CA ASP A 42 -6.818 12.303 6.336 1.00 0.00 C ATOM 620 C ASP A 42 -6.442 12.910 4.983 1.00 0.00 C ATOM 621 O ASP A 42 -5.514 13.713 4.896 1.00 0.00 O ATOM 622 CB ASP A 42 -5.525 11.903 7.050 1.00 0.00 C ATOM 623 CG ASP A 42 -4.953 12.963 7.994 1.00 0.00 C ATOM 624 OD1 ASP A 42 -5.521 14.076 8.007 1.00 0.00 O ATOM 625 OD2 ASP A 42 -3.962 12.635 8.682 1.00 0.00 O ATOM 0 H ASP A 42 -8.675 11.338 6.211 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.363 13.020 6.950 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.709 10.992 7.620 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.772 11.663 6.299 1.00 0.00 H new ATOM 630 N ASP A 43 -7.183 12.505 3.962 1.00 0.00 N ATOM 631 CA ASP A 43 -6.939 13.000 2.618 1.00 0.00 C ATOM 632 C ASP A 43 -5.925 12.090 1.921 1.00 0.00 C ATOM 633 O ASP A 43 -5.986 11.903 0.706 1.00 0.00 O ATOM 634 CB ASP A 43 -6.361 14.416 2.649 1.00 0.00 C ATOM 635 CG ASP A 43 -6.666 15.266 1.414 1.00 0.00 C ATOM 636 OD1 ASP A 43 -7.455 14.783 0.573 1.00 0.00 O ATOM 637 OD2 ASP A 43 -6.103 16.379 1.338 1.00 0.00 O ATOM 0 H ASP A 43 -7.952 11.840 4.039 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.889 13.011 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.746 14.930 3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.280 14.348 2.767 1.00 0.00 H new ATOM 642 N LEU A 44 -5.017 11.549 2.719 1.00 0.00 N ATOM 643 CA LEU A 44 -3.992 10.663 2.193 1.00 0.00 C ATOM 644 C LEU A 44 -2.932 10.421 3.270 1.00 0.00 C ATOM 645 O LEU A 44 -2.319 9.355 3.315 1.00 0.00 O ATOM 646 CB LEU A 44 -3.424 11.218 0.885 1.00 0.00 C ATOM 647 CG LEU A 44 -3.172 12.727 0.849 1.00 0.00 C ATOM 648 CD1 LEU A 44 -1.736 13.053 1.262 1.00 0.00 C ATOM 649 CD2 LEU A 44 -3.521 13.308 -0.522 1.00 0.00 C ATOM 0 H LEU A 44 -4.969 11.707 3.726 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.419 9.692 1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.484 10.708 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.111 10.965 0.078 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.831 13.201 1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.584 14.132 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.558 12.693 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.041 12.567 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.333 14.382 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.906 12.833 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.574 13.124 -0.738 1.00 0.00 H new ATOM 661 N LEU A 45 -2.748 11.429 4.111 1.00 0.00 N ATOM 662 CA LEU A 45 -1.773 11.339 5.184 1.00 0.00 C ATOM 663 C LEU A 45 -1.733 9.903 5.712 1.00 0.00 C ATOM 664 O LEU A 45 -0.665 9.389 6.043 1.00 0.00 O ATOM 665 CB LEU A 45 -2.066 12.383 6.263 1.00 0.00 C ATOM 666 CG LEU A 45 -0.902 12.731 7.193 1.00 0.00 C ATOM 667 CD1 LEU A 45 0.080 11.564 7.304 1.00 0.00 C ATOM 668 CD2 LEU A 45 -0.211 14.022 6.747 1.00 0.00 C ATOM 0 H LEU A 45 -3.258 12.312 4.071 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.775 11.570 4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.400 13.298 5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.897 12.025 6.871 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.304 12.909 8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.897 11.838 7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.436 10.691 7.703 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.480 11.330 6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.613 14.247 7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.175 13.897 5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.928 14.843 6.763 1.00 0.00 H new ATOM 680 N HIS A 46 -2.909 9.297 5.774 1.00 0.00 N ATOM 681 CA HIS A 46 -3.022 7.930 6.257 1.00 0.00 C ATOM 682 C HIS A 46 -3.603 7.043 5.154 1.00 0.00 C ATOM 683 O HIS A 46 -4.669 7.337 4.613 1.00 0.00 O ATOM 684 CB HIS A 46 -3.835 7.877 7.551 1.00 0.00 C ATOM 685 CG HIS A 46 -3.105 8.417 8.758 1.00 0.00 C ATOM 686 ND1 HIS A 46 -2.705 7.616 9.813 1.00 0.00 N ATOM 687 CD2 HIS A 46 -2.707 9.685 9.064 1.00 0.00 C ATOM 688 CE1 HIS A 46 -2.096 8.378 10.709 1.00 0.00 C ATOM 689 NE2 HIS A 46 -2.099 9.660 10.244 1.00 0.00 N ATOM 0 H HIS A 46 -3.792 9.726 5.498 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.033 7.544 6.502 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.756 8.443 7.413 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.122 6.844 7.745 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.860 10.561 8.451 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.672 8.043 11.644 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.700 10.467 10.724 1.00 0.00 H new ATOM 698 N VAL A 47 -2.878 5.976 4.853 1.00 0.00 N ATOM 699 CA VAL A 47 -3.308 5.045 3.825 1.00 0.00 C ATOM 700 C VAL A 47 -3.082 3.612 4.313 1.00 0.00 C ATOM 701 O VAL A 47 -1.968 3.096 4.238 1.00 0.00 O ATOM 702 CB VAL A 47 -2.589 5.349 2.509 1.00 0.00 C ATOM 703 CG1 VAL A 47 -3.012 4.368 1.413 1.00 0.00 C ATOM 704 CG2 VAL A 47 -2.832 6.795 2.073 1.00 0.00 C ATOM 0 H VAL A 47 -1.995 5.736 5.304 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.375 5.158 3.630 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.519 5.224 2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.486 4.607 0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.765 3.352 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.087 4.446 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.310 6.985 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.901 6.958 1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.459 7.474 2.840 1.00 0.00 H new ATOM 714 N THR A 48 -4.156 3.011 4.802 1.00 0.00 N ATOM 715 CA THR A 48 -4.089 1.649 5.302 1.00 0.00 C ATOM 716 C THR A 48 -4.263 0.650 4.156 1.00 0.00 C ATOM 717 O THR A 48 -5.342 0.549 3.575 1.00 0.00 O ATOM 718 CB THR A 48 -5.138 1.497 6.405 1.00 0.00 C ATOM 719 OG1 THR A 48 -4.450 1.875 7.594 1.00 0.00 O ATOM 720 CG2 THR A 48 -5.527 0.037 6.647 1.00 0.00 C ATOM 0 H THR A 48 -5.078 3.443 4.863 1.00 0.00 H new ATOM 0 HA THR A 48 -3.111 1.434 5.732 1.00 0.00 H new ATOM 0 HB THR A 48 -6.027 2.070 6.141 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.058 1.807 8.359 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.274 -0.014 7.439 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.940 -0.386 5.731 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.645 -0.530 6.943 1.00 0.00 H new ATOM 728 N VAL A 49 -3.184 -0.063 3.866 1.00 0.00 N ATOM 729 CA VAL A 49 -3.204 -1.050 2.800 1.00 0.00 C ATOM 730 C VAL A 49 -3.185 -2.453 3.409 1.00 0.00 C ATOM 731 O VAL A 49 -2.124 -2.963 3.766 1.00 0.00 O ATOM 732 CB VAL A 49 -2.044 -0.801 1.834 1.00 0.00 C ATOM 733 CG1 VAL A 49 -2.066 0.636 1.309 1.00 0.00 C ATOM 734 CG2 VAL A 49 -0.702 -1.122 2.496 1.00 0.00 C ATOM 0 H VAL A 49 -2.291 0.023 4.351 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.120 -0.962 2.216 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.167 -1.470 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.231 0.786 0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.003 0.817 0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.979 1.330 2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.106 -0.937 1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.568 -0.489 3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.687 -2.169 2.798 1.00 0.00 H new ATOM 744 N TYR A 50 -4.370 -3.037 3.509 1.00 0.00 N ATOM 745 CA TYR A 50 -4.502 -4.371 4.069 1.00 0.00 C ATOM 746 C TYR A 50 -3.861 -5.416 3.153 1.00 0.00 C ATOM 747 O TYR A 50 -3.400 -6.456 3.620 1.00 0.00 O ATOM 748 CB TYR A 50 -6.005 -4.643 4.160 1.00 0.00 C ATOM 749 CG TYR A 50 -6.711 -3.870 5.275 1.00 0.00 C ATOM 750 CD1 TYR A 50 -6.960 -2.520 5.129 1.00 0.00 C ATOM 751 CD2 TYR A 50 -7.099 -4.522 6.428 1.00 0.00 C ATOM 752 CE1 TYR A 50 -7.624 -1.792 6.179 1.00 0.00 C ATOM 753 CE2 TYR A 50 -7.763 -3.794 7.478 1.00 0.00 C ATOM 754 CZ TYR A 50 -7.993 -2.465 7.301 1.00 0.00 C ATOM 755 OH TYR A 50 -8.621 -1.778 8.293 1.00 0.00 O ATOM 0 H TYR A 50 -5.248 -2.611 3.212 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.007 -4.431 5.038 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.468 -4.389 3.206 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.162 -5.710 4.316 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.657 -2.010 4.227 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.905 -5.578 6.543 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -7.824 -0.736 6.077 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -8.071 -4.292 8.385 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.827 -2.387 9.033 1.00 0.00 H new ATOM 765 N LEU A 51 -3.852 -5.102 1.866 1.00 0.00 N ATOM 766 CA LEU A 51 -3.275 -6.001 0.881 1.00 0.00 C ATOM 767 C LEU A 51 -4.149 -7.251 0.764 1.00 0.00 C ATOM 768 O LEU A 51 -4.648 -7.760 1.767 1.00 0.00 O ATOM 769 CB LEU A 51 -1.814 -6.301 1.220 1.00 0.00 C ATOM 770 CG LEU A 51 -0.766 -5.519 0.426 1.00 0.00 C ATOM 771 CD1 LEU A 51 0.638 -5.757 0.986 1.00 0.00 C ATOM 772 CD2 LEU A 51 -0.851 -5.847 -1.066 1.00 0.00 C ATOM 0 H LEU A 51 -4.235 -4.238 1.483 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.259 -5.530 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.660 -6.102 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.637 -7.366 1.066 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.980 -4.456 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.363 -5.189 0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.675 -5.433 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.878 -6.819 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.095 -5.278 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.678 -6.913 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.840 -5.584 -1.440 1.00 0.00 H new ATOM 784 N ASP A 52 -4.307 -7.711 -0.469 1.00 0.00 N ATOM 785 CA ASP A 52 -5.112 -8.892 -0.729 1.00 0.00 C ATOM 786 C ASP A 52 -4.524 -9.652 -1.920 1.00 0.00 C ATOM 787 O ASP A 52 -5.189 -9.824 -2.941 1.00 0.00 O ATOM 788 CB ASP A 52 -6.553 -8.511 -1.076 1.00 0.00 C ATOM 789 CG ASP A 52 -7.628 -9.305 -0.332 1.00 0.00 C ATOM 790 OD1 ASP A 52 -7.955 -8.894 0.802 1.00 0.00 O ATOM 791 OD2 ASP A 52 -8.099 -10.306 -0.914 1.00 0.00 O ATOM 0 H ASP A 52 -3.891 -7.287 -1.298 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.108 -9.508 0.171 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.694 -7.451 -0.864 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.700 -8.644 -2.148 1.00 0.00 H new ATOM 796 N CYS A 53 -3.284 -10.086 -1.751 1.00 0.00 N ATOM 797 CA CYS A 53 -2.599 -10.823 -2.799 1.00 0.00 C ATOM 798 C CYS A 53 -3.393 -12.099 -3.086 1.00 0.00 C ATOM 799 O CYS A 53 -4.571 -12.191 -2.746 1.00 0.00 O ATOM 800 CB CYS A 53 -1.148 -11.126 -2.422 1.00 0.00 C ATOM 801 SG CYS A 53 -0.383 -9.655 -1.647 1.00 0.00 S ATOM 0 H CYS A 53 -2.735 -9.941 -0.903 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.551 -10.215 -3.703 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.111 -11.971 -1.734 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.585 -11.414 -3.310 1.00 0.00 H new ATOM 0 HG CYS A 53 -0.893 -9.472 -0.465 1.00 0.00 H new ATOM 807 N TYR A 54 -2.715 -13.052 -3.708 1.00 0.00 N ATOM 808 CA TYR A 54 -3.342 -14.319 -4.045 1.00 0.00 C ATOM 809 C TYR A 54 -4.322 -14.752 -2.953 1.00 0.00 C ATOM 810 O TYR A 54 -5.533 -14.765 -3.170 1.00 0.00 O ATOM 811 CB TYR A 54 -2.207 -15.342 -4.129 1.00 0.00 C ATOM 812 CG TYR A 54 -1.770 -15.669 -5.558 1.00 0.00 C ATOM 813 CD1 TYR A 54 -1.664 -14.662 -6.496 1.00 0.00 C ATOM 814 CD2 TYR A 54 -1.482 -16.972 -5.910 1.00 0.00 C ATOM 815 CE1 TYR A 54 -1.252 -14.971 -7.841 1.00 0.00 C ATOM 816 CE2 TYR A 54 -1.071 -17.281 -7.255 1.00 0.00 C ATOM 817 CZ TYR A 54 -0.976 -16.265 -8.154 1.00 0.00 C ATOM 818 OH TYR A 54 -0.588 -16.556 -9.425 1.00 0.00 O ATOM 0 H TYR A 54 -1.737 -12.972 -3.988 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.900 -14.236 -4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -1.348 -14.963 -3.575 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.523 -16.262 -3.637 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -1.890 -13.642 -6.221 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.565 -17.760 -5.176 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.164 -14.192 -8.584 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.843 -18.297 -7.543 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.423 -17.519 -9.504 1.00 0.00 H new ATOM 828 N ASN A 55 -3.763 -15.097 -1.802 1.00 0.00 N ATOM 829 CA ASN A 55 -4.573 -15.530 -0.676 1.00 0.00 C ATOM 830 C ASN A 55 -3.708 -15.562 0.585 1.00 0.00 C ATOM 831 O ASN A 55 -4.137 -15.115 1.648 1.00 0.00 O ATOM 832 CB ASN A 55 -5.127 -16.938 -0.906 1.00 0.00 C ATOM 833 CG ASN A 55 -6.067 -17.348 0.230 1.00 0.00 C ATOM 834 OD1 ASN A 55 -6.124 -16.727 1.279 1.00 0.00 O ATOM 835 ND2 ASN A 55 -6.800 -18.425 -0.037 1.00 0.00 N ATOM 0 H ASN A 55 -2.759 -15.085 -1.625 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.401 -14.830 -0.566 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.661 -16.972 -1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.304 -17.650 -0.977 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.459 -18.778 0.657 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.703 -18.898 -0.936 1.00 0.00 H new ATOM 842 N ARG A 56 -2.506 -16.096 0.427 1.00 0.00 N ATOM 843 CA ARG A 56 -1.577 -16.192 1.540 1.00 0.00 C ATOM 844 C ARG A 56 -0.248 -16.789 1.073 1.00 0.00 C ATOM 845 O ARG A 56 0.816 -16.392 1.547 1.00 0.00 O ATOM 846 CB ARG A 56 -2.151 -17.059 2.663 1.00 0.00 C ATOM 847 CG ARG A 56 -2.535 -18.446 2.142 1.00 0.00 C ATOM 848 CD ARG A 56 -3.745 -18.999 2.898 1.00 0.00 C ATOM 849 NE ARG A 56 -3.454 -20.365 3.388 1.00 0.00 N ATOM 850 CZ ARG A 56 -2.764 -20.631 4.505 1.00 0.00 C ATOM 851 NH1 ARG A 56 -2.290 -19.627 5.255 1.00 0.00 N ATOM 852 NH2 ARG A 56 -2.549 -21.902 4.873 1.00 0.00 N ATOM 0 H ARG A 56 -2.154 -16.467 -0.455 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.412 -15.184 1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.417 -17.157 3.463 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.027 -16.572 3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.762 -18.389 1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.691 -19.127 2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.989 -18.347 3.737 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.616 -19.016 2.243 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.801 -21.153 2.841 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.455 -18.660 4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.765 -19.830 6.105 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.911 -22.666 4.303 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.024 -22.105 5.723 1.00 0.00 H new ATOM 866 N GLU A 57 -0.352 -17.733 0.149 1.00 0.00 N ATOM 867 CA GLU A 57 0.828 -18.388 -0.388 1.00 0.00 C ATOM 868 C GLU A 57 1.716 -17.373 -1.111 1.00 0.00 C ATOM 869 O GLU A 57 2.880 -17.653 -1.397 1.00 0.00 O ATOM 870 CB GLU A 57 0.441 -19.539 -1.319 1.00 0.00 C ATOM 871 CG GLU A 57 -0.206 -19.013 -2.601 1.00 0.00 C ATOM 872 CD GLU A 57 0.683 -19.286 -3.816 1.00 0.00 C ATOM 873 OE1 GLU A 57 0.673 -20.448 -4.277 1.00 0.00 O ATOM 874 OE2 GLU A 57 1.353 -18.327 -4.257 1.00 0.00 O ATOM 0 H GLU A 57 -1.236 -18.060 -0.241 1.00 0.00 H new ATOM 0 HA GLU A 57 1.394 -18.811 0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.327 -20.124 -1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.250 -20.209 -0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.177 -19.487 -2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.384 -17.942 -2.510 1.00 0.00 H new ATOM 881 N GLN A 58 1.134 -16.215 -1.386 1.00 0.00 N ATOM 882 CA GLN A 58 1.858 -15.157 -2.070 1.00 0.00 C ATOM 883 C GLN A 58 2.122 -13.991 -1.115 1.00 0.00 C ATOM 884 O GLN A 58 3.179 -13.366 -1.171 1.00 0.00 O ATOM 885 CB GLN A 58 1.098 -14.687 -3.312 1.00 0.00 C ATOM 886 CG GLN A 58 2.046 -14.037 -4.322 1.00 0.00 C ATOM 887 CD GLN A 58 1.929 -14.706 -5.693 1.00 0.00 C ATOM 888 OE1 GLN A 58 0.860 -14.815 -6.270 1.00 0.00 O ATOM 889 NE2 GLN A 58 3.086 -15.147 -6.180 1.00 0.00 N ATOM 0 H GLN A 58 0.169 -15.986 -1.147 1.00 0.00 H new ATOM 0 HA GLN A 58 2.818 -15.555 -2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.592 -15.534 -3.776 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.326 -13.975 -3.022 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.816 -12.975 -4.411 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.072 -14.112 -3.963 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.945 -15.023 -5.644 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.114 -15.609 -7.089 1.00 0.00 H new ATOM 898 N ILE A 59 1.142 -13.735 -0.261 1.00 0.00 N ATOM 899 CA ILE A 59 1.256 -12.655 0.705 1.00 0.00 C ATOM 900 C ILE A 59 2.664 -12.656 1.302 1.00 0.00 C ATOM 901 O ILE A 59 3.354 -11.638 1.277 1.00 0.00 O ATOM 902 CB ILE A 59 0.144 -12.753 1.752 1.00 0.00 C ATOM 903 CG1 ILE A 59 -0.592 -11.420 1.897 1.00 0.00 C ATOM 904 CG2 ILE A 59 0.693 -13.254 3.089 1.00 0.00 C ATOM 905 CD1 ILE A 59 -1.894 -11.421 1.093 1.00 0.00 C ATOM 0 H ILE A 59 0.266 -14.256 -0.218 1.00 0.00 H new ATOM 0 HA ILE A 59 1.118 -11.691 0.216 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.585 -13.487 1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.810 -11.234 2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.049 -10.608 1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.117 -13.315 3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.134 -14.242 2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.454 -12.563 3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.397 -10.462 1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.670 -11.583 0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.543 -12.219 1.453 1.00 0.00 H new ATOM 917 N ASP A 60 3.050 -13.811 1.824 1.00 0.00 N ATOM 918 CA ASP A 60 4.364 -13.958 2.427 1.00 0.00 C ATOM 919 C ASP A 60 5.400 -13.234 1.564 1.00 0.00 C ATOM 920 O ASP A 60 6.318 -12.605 2.088 1.00 0.00 O ATOM 921 CB ASP A 60 4.768 -15.431 2.514 1.00 0.00 C ATOM 922 CG ASP A 60 3.723 -16.353 3.145 1.00 0.00 C ATOM 923 OD1 ASP A 60 3.307 -16.044 4.283 1.00 0.00 O ATOM 924 OD2 ASP A 60 3.362 -17.345 2.475 1.00 0.00 O ATOM 0 H ASP A 60 2.476 -14.654 1.842 1.00 0.00 H new ATOM 0 HA ASP A 60 4.324 -13.535 3.431 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.989 -15.791 1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.691 -15.506 3.089 1.00 0.00 H new ATOM 929 N ARG A 61 5.217 -13.347 0.257 1.00 0.00 N ATOM 930 CA ARG A 61 6.124 -12.710 -0.683 1.00 0.00 C ATOM 931 C ARG A 61 5.805 -11.219 -0.802 1.00 0.00 C ATOM 932 O ARG A 61 6.704 -10.381 -0.749 1.00 0.00 O ATOM 933 CB ARG A 61 6.027 -13.357 -2.066 1.00 0.00 C ATOM 934 CG ARG A 61 6.051 -14.883 -1.960 1.00 0.00 C ATOM 935 CD ARG A 61 7.447 -15.386 -1.589 1.00 0.00 C ATOM 936 NE ARG A 61 7.445 -15.909 -0.204 1.00 0.00 N ATOM 937 CZ ARG A 61 6.858 -17.056 0.164 1.00 0.00 C ATOM 938 NH1 ARG A 61 6.222 -17.806 -0.746 1.00 0.00 N ATOM 939 NH2 ARG A 61 6.907 -17.452 1.443 1.00 0.00 N ATOM 0 H ARG A 61 4.454 -13.870 -0.173 1.00 0.00 H new ATOM 0 HA ARG A 61 7.138 -12.839 -0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.108 -13.037 -2.557 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.855 -13.019 -2.689 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.332 -15.210 -1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.743 -15.322 -2.909 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.757 -16.169 -2.282 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.170 -14.576 -1.680 1.00 0.00 H new ATOM 0 HE ARG A 61 7.920 -15.362 0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.184 -17.504 -1.720 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.775 -18.679 -0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.391 -16.881 2.136 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.460 -18.325 1.724 1.00 0.00 H new ATOM 953 N VAL A 62 4.521 -10.932 -0.960 1.00 0.00 N ATOM 954 CA VAL A 62 4.072 -9.556 -1.087 1.00 0.00 C ATOM 955 C VAL A 62 4.358 -8.808 0.217 1.00 0.00 C ATOM 956 O VAL A 62 5.198 -7.911 0.250 1.00 0.00 O ATOM 957 CB VAL A 62 2.594 -9.522 -1.484 1.00 0.00 C ATOM 958 CG1 VAL A 62 2.168 -8.110 -1.892 1.00 0.00 C ATOM 959 CG2 VAL A 62 2.303 -10.527 -2.600 1.00 0.00 C ATOM 0 H VAL A 62 3.778 -11.629 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 62 4.620 -9.047 -1.880 1.00 0.00 H new ATOM 0 HB VAL A 62 2.006 -9.810 -0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.114 -8.114 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.321 -7.428 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.766 -7.781 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.246 -10.483 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.905 -10.283 -3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.550 -11.532 -2.258 1.00 0.00 H new ATOM 969 N VAL A 63 3.643 -9.206 1.259 1.00 0.00 N ATOM 970 CA VAL A 63 3.809 -8.584 2.562 1.00 0.00 C ATOM 971 C VAL A 63 5.300 -8.508 2.898 1.00 0.00 C ATOM 972 O VAL A 63 5.769 -7.502 3.428 1.00 0.00 O ATOM 973 CB VAL A 63 2.997 -9.345 3.612 1.00 0.00 C ATOM 974 CG1 VAL A 63 3.200 -8.743 5.004 1.00 0.00 C ATOM 975 CG2 VAL A 63 1.513 -9.378 3.239 1.00 0.00 C ATOM 0 H VAL A 63 2.947 -9.951 1.228 1.00 0.00 H new ATOM 0 HA VAL A 63 3.425 -7.564 2.551 1.00 0.00 H new ATOM 0 HB VAL A 63 3.359 -10.373 3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.612 -9.302 5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.255 -8.795 5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.878 -7.702 5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.958 -9.925 4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.132 -8.359 3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.391 -9.874 2.276 1.00 0.00 H new ATOM 985 N GLY A 64 6.002 -9.585 2.578 1.00 0.00 N ATOM 986 CA GLY A 64 7.430 -9.652 2.840 1.00 0.00 C ATOM 987 C GLY A 64 8.176 -8.539 2.103 1.00 0.00 C ATOM 988 O GLY A 64 9.138 -7.979 2.626 1.00 0.00 O ATOM 0 H GLY A 64 5.609 -10.418 2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.611 -9.568 3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.816 -10.622 2.527 1.00 0.00 H new ATOM 992 N ALA A 65 7.703 -8.250 0.899 1.00 0.00 N ATOM 993 CA ALA A 65 8.313 -7.213 0.084 1.00 0.00 C ATOM 994 C ALA A 65 7.878 -5.841 0.602 1.00 0.00 C ATOM 995 O ALA A 65 8.687 -4.918 0.682 1.00 0.00 O ATOM 996 CB ALA A 65 7.937 -7.429 -1.383 1.00 0.00 C ATOM 0 H ALA A 65 6.904 -8.716 0.468 1.00 0.00 H new ATOM 0 HA ALA A 65 9.400 -7.261 0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.395 -6.651 -1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.295 -8.405 -1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.853 -7.385 -1.491 1.00 0.00 H new ATOM 1002 N PHE A 66 6.600 -5.750 0.940 1.00 0.00 N ATOM 1003 CA PHE A 66 6.047 -4.506 1.448 1.00 0.00 C ATOM 1004 C PHE A 66 6.821 -4.022 2.676 1.00 0.00 C ATOM 1005 O PHE A 66 6.836 -2.829 2.974 1.00 0.00 O ATOM 1006 CB PHE A 66 4.599 -4.792 1.852 1.00 0.00 C ATOM 1007 CG PHE A 66 3.570 -4.434 0.778 1.00 0.00 C ATOM 1008 CD1 PHE A 66 3.280 -5.323 -0.209 1.00 0.00 C ATOM 1009 CD2 PHE A 66 2.946 -3.226 0.811 1.00 0.00 C ATOM 1010 CE1 PHE A 66 2.325 -4.991 -1.206 1.00 0.00 C ATOM 1011 CE2 PHE A 66 1.991 -2.894 -0.186 1.00 0.00 C ATOM 1012 CZ PHE A 66 1.701 -3.783 -1.174 1.00 0.00 C ATOM 0 H PHE A 66 5.932 -6.518 0.872 1.00 0.00 H new ATOM 0 HA PHE A 66 6.111 -3.731 0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.503 -5.850 2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.369 -4.235 2.760 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.776 -6.282 -0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.177 -2.520 1.595 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.094 -5.698 -1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.495 -1.935 -0.160 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.975 -3.530 -1.933 1.00 0.00 H new ATOM 1022 N ASN A 67 7.444 -4.974 3.355 1.00 0.00 N ATOM 1023 CA ASN A 67 8.219 -4.660 4.544 1.00 0.00 C ATOM 1024 C ASN A 67 9.568 -4.071 4.127 1.00 0.00 C ATOM 1025 O ASN A 67 10.605 -4.433 4.682 1.00 0.00 O ATOM 1026 CB ASN A 67 8.487 -5.917 5.374 1.00 0.00 C ATOM 1027 CG ASN A 67 7.297 -6.240 6.280 1.00 0.00 C ATOM 1028 OD1 ASN A 67 6.737 -5.382 6.942 1.00 0.00 O ATOM 1029 ND2 ASN A 67 6.945 -7.523 6.272 1.00 0.00 N ATOM 0 H ASN A 67 7.428 -5.963 3.105 1.00 0.00 H new ATOM 0 HA ASN A 67 7.648 -3.949 5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.683 -6.760 4.711 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.381 -5.773 5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.163 -7.841 6.844 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.458 -8.189 5.694 1.00 0.00 H new ATOM 1036 N GLN A 68 9.511 -3.174 3.154 1.00 0.00 N ATOM 1037 CA GLN A 68 10.716 -2.532 2.657 1.00 0.00 C ATOM 1038 C GLN A 68 10.382 -1.619 1.476 1.00 0.00 C ATOM 1039 O GLN A 68 11.080 -0.637 1.229 1.00 0.00 O ATOM 1040 CB GLN A 68 11.770 -3.570 2.267 1.00 0.00 C ATOM 1041 CG GLN A 68 11.235 -4.516 1.190 1.00 0.00 C ATOM 1042 CD GLN A 68 12.382 -5.198 0.440 1.00 0.00 C ATOM 1043 OE1 GLN A 68 13.542 -4.843 0.572 1.00 0.00 O ATOM 1044 NE2 GLN A 68 11.994 -6.193 -0.352 1.00 0.00 N ATOM 0 H GLN A 68 8.649 -2.877 2.696 1.00 0.00 H new ATOM 0 HA GLN A 68 11.135 -1.921 3.457 1.00 0.00 H new ATOM 0 HB2 GLN A 68 12.665 -3.066 1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 68 12.064 -4.143 3.146 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.596 -5.271 1.649 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.616 -3.959 0.487 1.00 0.00 H new ATOM 0 HE21 GLN A 68 11.006 -6.438 -0.416 1.00 0.00 H new ATOM 0 HE22 GLN A 68 12.684 -6.711 -0.896 1.00 0.00 H new ATOM 1053 N ALA A 69 9.315 -1.976 0.776 1.00 0.00 N ATOM 1054 CA ALA A 69 8.880 -1.201 -0.374 1.00 0.00 C ATOM 1055 C ALA A 69 8.185 0.074 0.109 1.00 0.00 C ATOM 1056 O ALA A 69 8.128 1.066 -0.615 1.00 0.00 O ATOM 1057 CB ALA A 69 7.973 -2.061 -1.255 1.00 0.00 C ATOM 0 H ALA A 69 8.739 -2.792 0.983 1.00 0.00 H new ATOM 0 HA ALA A 69 9.735 -0.901 -0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.647 -1.480 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.522 -2.939 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.103 -2.378 -0.681 1.00 0.00 H new ATOM 1063 N LYS A 70 7.675 0.005 1.330 1.00 0.00 N ATOM 1064 CA LYS A 70 6.987 1.141 1.918 1.00 0.00 C ATOM 1065 C LYS A 70 7.794 2.414 1.655 1.00 0.00 C ATOM 1066 O LYS A 70 7.241 3.512 1.637 1.00 0.00 O ATOM 1067 CB LYS A 70 6.704 0.888 3.401 1.00 0.00 C ATOM 1068 CG LYS A 70 5.977 2.078 4.031 1.00 0.00 C ATOM 1069 CD LYS A 70 5.906 1.933 5.553 1.00 0.00 C ATOM 1070 CE LYS A 70 6.837 2.932 6.243 1.00 0.00 C ATOM 1071 NZ LYS A 70 7.058 2.545 7.654 1.00 0.00 N ATOM 0 H LYS A 70 7.725 -0.820 1.928 1.00 0.00 H new ATOM 0 HA LYS A 70 6.012 1.279 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.099 -0.012 3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.641 0.709 3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.494 3.002 3.774 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.970 2.152 3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.882 2.093 5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.181 0.918 5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.791 2.972 5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.405 3.932 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.692 3.233 8.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.148 2.529 8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.490 1.600 7.691 1.00 0.00 H new ATOM 1085 N GLY A 71 9.091 2.223 1.457 1.00 0.00 N ATOM 1086 CA GLY A 71 9.980 3.342 1.196 1.00 0.00 C ATOM 1087 C GLY A 71 9.557 4.095 -0.067 1.00 0.00 C ATOM 1088 O GLY A 71 9.439 5.319 -0.054 1.00 0.00 O ATOM 0 H GLY A 71 9.547 1.311 1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.975 4.022 2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.002 2.980 1.083 1.00 0.00 H new ATOM 1092 N VAL A 72 9.342 3.332 -1.128 1.00 0.00 N ATOM 1093 CA VAL A 72 8.935 3.911 -2.397 1.00 0.00 C ATOM 1094 C VAL A 72 7.466 4.330 -2.314 1.00 0.00 C ATOM 1095 O VAL A 72 7.086 5.379 -2.832 1.00 0.00 O ATOM 1096 CB VAL A 72 9.212 2.927 -3.535 1.00 0.00 C ATOM 1097 CG1 VAL A 72 10.716 2.756 -3.759 1.00 0.00 C ATOM 1098 CG2 VAL A 72 8.541 1.578 -3.268 1.00 0.00 C ATOM 0 H VAL A 72 9.442 2.317 -1.135 1.00 0.00 H new ATOM 0 HA VAL A 72 9.517 4.807 -2.611 1.00 0.00 H new ATOM 0 HB VAL A 72 8.783 3.341 -4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.885 2.051 -4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.158 3.719 -4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.179 2.376 -2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.753 0.897 -4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.927 1.157 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.464 1.718 -3.182 1.00 0.00 H new ATOM 1108 N PHE A 73 6.680 3.489 -1.657 1.00 0.00 N ATOM 1109 CA PHE A 73 5.261 3.759 -1.500 1.00 0.00 C ATOM 1110 C PHE A 73 5.032 5.129 -0.857 1.00 0.00 C ATOM 1111 O PHE A 73 4.372 5.989 -1.438 1.00 0.00 O ATOM 1112 CB PHE A 73 4.699 2.676 -0.577 1.00 0.00 C ATOM 1113 CG PHE A 73 4.855 1.254 -1.120 1.00 0.00 C ATOM 1114 CD1 PHE A 73 5.182 1.057 -2.425 1.00 0.00 C ATOM 1115 CD2 PHE A 73 4.666 0.187 -0.298 1.00 0.00 C ATOM 1116 CE1 PHE A 73 5.327 -0.263 -2.930 1.00 0.00 C ATOM 1117 CE2 PHE A 73 4.811 -1.132 -0.802 1.00 0.00 C ATOM 1118 CZ PHE A 73 5.138 -1.329 -2.107 1.00 0.00 C ATOM 0 H PHE A 73 6.999 2.621 -1.228 1.00 0.00 H new ATOM 0 HA PHE A 73 4.772 3.758 -2.474 1.00 0.00 H new ATOM 0 HB2 PHE A 73 5.198 2.742 0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.641 2.874 -0.403 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.332 1.904 -3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.406 0.343 0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.587 -0.420 -3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.662 -1.979 -0.149 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.248 -2.333 -2.490 1.00 0.00 H new ATOM 1128 N SER A 74 5.590 5.289 0.334 1.00 0.00 N ATOM 1129 CA SER A 74 5.455 6.539 1.062 1.00 0.00 C ATOM 1130 C SER A 74 6.110 7.676 0.275 1.00 0.00 C ATOM 1131 O SER A 74 5.689 8.828 0.376 1.00 0.00 O ATOM 1132 CB SER A 74 6.074 6.434 2.457 1.00 0.00 C ATOM 1133 OG SER A 74 7.488 6.266 2.403 1.00 0.00 O ATOM 0 H SER A 74 6.137 4.573 0.813 1.00 0.00 H new ATOM 0 HA SER A 74 4.393 6.752 1.181 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.837 7.332 3.027 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.629 5.593 2.989 1.00 0.00 H new ATOM 0 HG SER A 74 7.698 5.348 2.131 1.00 0.00 H new ATOM 1139 N ARG A 75 7.128 7.313 -0.490 1.00 0.00 N ATOM 1140 CA ARG A 75 7.845 8.289 -1.294 1.00 0.00 C ATOM 1141 C ARG A 75 6.956 8.798 -2.430 1.00 0.00 C ATOM 1142 O ARG A 75 7.200 9.869 -2.982 1.00 0.00 O ATOM 1143 CB ARG A 75 9.120 7.685 -1.885 1.00 0.00 C ATOM 1144 CG ARG A 75 9.633 8.526 -3.056 1.00 0.00 C ATOM 1145 CD ARG A 75 10.013 9.934 -2.595 1.00 0.00 C ATOM 1146 NE ARG A 75 11.326 10.315 -3.163 1.00 0.00 N ATOM 1147 CZ ARG A 75 12.496 9.802 -2.760 1.00 0.00 C ATOM 1148 NH1 ARG A 75 12.525 8.882 -1.785 1.00 0.00 N ATOM 1149 NH2 ARG A 75 13.638 10.207 -3.332 1.00 0.00 N ATOM 0 H ARG A 75 7.474 6.357 -0.571 1.00 0.00 H new ATOM 0 HA ARG A 75 8.118 9.119 -0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.888 7.622 -1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.922 6.668 -2.222 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.499 8.040 -3.505 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.866 8.587 -3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.251 10.647 -2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.054 9.971 -1.506 1.00 0.00 H new ATOM 0 HE ARG A 75 11.341 11.012 -3.908 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.656 8.572 -1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.416 8.492 -1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.617 10.906 -4.074 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.529 9.816 -3.025 1.00 0.00 H new ATOM 1163 N VAL A 76 5.942 8.005 -2.745 1.00 0.00 N ATOM 1164 CA VAL A 76 5.014 8.362 -3.805 1.00 0.00 C ATOM 1165 C VAL A 76 4.188 9.573 -3.368 1.00 0.00 C ATOM 1166 O VAL A 76 4.250 10.630 -3.994 1.00 0.00 O ATOM 1167 CB VAL A 76 4.153 7.153 -4.176 1.00 0.00 C ATOM 1168 CG1 VAL A 76 3.137 7.515 -5.261 1.00 0.00 C ATOM 1169 CG2 VAL A 76 5.023 5.972 -4.611 1.00 0.00 C ATOM 0 H VAL A 76 5.743 7.117 -2.285 1.00 0.00 H new ATOM 0 HA VAL A 76 5.556 8.647 -4.707 1.00 0.00 H new ATOM 0 HB VAL A 76 3.600 6.851 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.538 6.638 -5.506 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.485 8.310 -4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.663 7.856 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.386 5.126 -4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.616 6.258 -5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.688 5.690 -3.795 1.00 0.00 H new ATOM 1179 N LEU A 77 3.434 9.379 -2.296 1.00 0.00 N ATOM 1180 CA LEU A 77 2.597 10.442 -1.768 1.00 0.00 C ATOM 1181 C LEU A 77 3.481 11.610 -1.325 1.00 0.00 C ATOM 1182 O LEU A 77 3.019 12.747 -1.242 1.00 0.00 O ATOM 1183 CB LEU A 77 1.685 9.907 -0.661 1.00 0.00 C ATOM 1184 CG LEU A 77 1.399 8.405 -0.696 1.00 0.00 C ATOM 1185 CD1 LEU A 77 2.408 7.634 0.157 1.00 0.00 C ATOM 1186 CD2 LEU A 77 -0.044 8.112 -0.282 1.00 0.00 C ATOM 0 H LEU A 77 3.385 8.501 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 77 1.931 10.822 -2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.135 10.149 0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.735 10.439 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 77 1.516 8.059 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.182 6.569 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.414 7.807 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.348 7.977 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.221 7.037 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.213 8.476 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.728 8.614 -0.967 1.00 0.00 H new ATOM 1198 N ALA A 78 4.737 11.289 -1.052 1.00 0.00 N ATOM 1199 CA ALA A 78 5.690 12.297 -0.620 1.00 0.00 C ATOM 1200 C ALA A 78 5.948 13.274 -1.768 1.00 0.00 C ATOM 1201 O ALA A 78 5.804 14.485 -1.601 1.00 0.00 O ATOM 1202 CB ALA A 78 6.971 11.614 -0.136 1.00 0.00 C ATOM 0 H ALA A 78 5.117 10.345 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 78 5.290 12.870 0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.686 12.370 0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.738 10.953 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.403 11.032 -0.950 1.00 0.00 H new ATOM 1208 N HIS A 79 6.324 12.713 -2.907 1.00 0.00 N ATOM 1209 CA HIS A 79 6.604 13.520 -4.083 1.00 0.00 C ATOM 1210 C HIS A 79 5.545 14.616 -4.216 1.00 0.00 C ATOM 1211 O HIS A 79 5.817 15.684 -4.763 1.00 0.00 O ATOM 1212 CB HIS A 79 6.709 12.643 -5.332 1.00 0.00 C ATOM 1213 CG HIS A 79 7.999 12.816 -6.097 1.00 0.00 C ATOM 1214 ND1 HIS A 79 9.069 11.947 -5.968 1.00 0.00 N ATOM 1215 CD2 HIS A 79 8.379 13.764 -7.000 1.00 0.00 C ATOM 1216 CE1 HIS A 79 10.044 12.365 -6.763 1.00 0.00 C ATOM 1217 NE2 HIS A 79 9.615 13.491 -7.401 1.00 0.00 N ATOM 0 H HIS A 79 6.442 11.709 -3.041 1.00 0.00 H new ATOM 0 HA HIS A 79 7.572 14.009 -3.971 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.610 11.598 -5.039 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.873 12.869 -5.994 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.777 14.596 -7.333 1.00 0.00 H new ATOM 0 HE1 HIS A 79 11.009 11.896 -6.884 1.00 0.00 H new ATOM 0 HE2 HIS A 79 10.155 14.034 -8.075 1.00 0.00 H new ATOM 1226 N ASN A 80 4.359 14.315 -3.706 1.00 0.00 N ATOM 1227 CA ASN A 80 3.258 15.261 -3.761 1.00 0.00 C ATOM 1228 C ASN A 80 3.457 16.332 -2.686 1.00 0.00 C ATOM 1229 O ASN A 80 3.457 17.525 -2.986 1.00 0.00 O ATOM 1230 CB ASN A 80 1.921 14.567 -3.495 1.00 0.00 C ATOM 1231 CG ASN A 80 0.997 14.672 -4.710 1.00 0.00 C ATOM 1232 OD1 ASN A 80 0.303 15.654 -4.911 1.00 0.00 O ATOM 1233 ND2 ASN A 80 1.028 13.607 -5.507 1.00 0.00 N ATOM 0 H ASN A 80 4.137 13.429 -3.253 1.00 0.00 H new ATOM 0 HA ASN A 80 3.243 15.703 -4.757 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.093 13.518 -3.254 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.439 15.018 -2.627 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.447 13.580 -6.345 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.633 12.817 -5.280 1.00 0.00 H new ATOM 1240 N LEU A 81 3.623 15.866 -1.457 1.00 0.00 N ATOM 1241 CA LEU A 81 3.822 16.769 -0.336 1.00 0.00 C ATOM 1242 C LEU A 81 5.188 16.496 0.296 1.00 0.00 C ATOM 1243 O LEU A 81 6.049 17.374 0.327 1.00 0.00 O ATOM 1244 CB LEU A 81 2.657 16.665 0.650 1.00 0.00 C ATOM 1245 CG LEU A 81 1.867 17.953 0.893 1.00 0.00 C ATOM 1246 CD1 LEU A 81 2.773 19.055 1.447 1.00 0.00 C ATOM 1247 CD2 LEU A 81 1.135 18.395 -0.375 1.00 0.00 C ATOM 0 H LEU A 81 3.624 14.876 -1.213 1.00 0.00 H new ATOM 0 HA LEU A 81 3.829 17.804 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.968 15.902 0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.046 16.315 1.606 1.00 0.00 H new ATOM 0 HG LEU A 81 1.107 17.751 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.187 19.960 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.208 18.728 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.570 19.263 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.582 19.312 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.859 18.574 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.442 17.614 -0.686 1.00 0.00 H new ATOM 1259 N TYR A 82 5.345 15.274 0.785 1.00 0.00 N ATOM 1260 CA TYR A 82 6.592 14.874 1.415 1.00 0.00 C ATOM 1261 C TYR A 82 6.941 15.804 2.579 1.00 0.00 C ATOM 1262 O TYR A 82 7.245 16.977 2.372 1.00 0.00 O ATOM 1263 CB TYR A 82 7.669 15.002 0.336 1.00 0.00 C ATOM 1264 CG TYR A 82 9.070 15.279 0.884 1.00 0.00 C ATOM 1265 CD1 TYR A 82 9.659 14.385 1.756 1.00 0.00 C ATOM 1266 CD2 TYR A 82 9.745 16.422 0.508 1.00 0.00 C ATOM 1267 CE1 TYR A 82 10.978 14.646 2.272 1.00 0.00 C ATOM 1268 CE2 TYR A 82 11.063 16.683 1.025 1.00 0.00 C ATOM 1269 CZ TYR A 82 11.615 15.782 1.881 1.00 0.00 C ATOM 1270 OH TYR A 82 12.860 16.028 2.369 1.00 0.00 O ATOM 0 H TYR A 82 4.629 14.548 0.757 1.00 0.00 H new ATOM 0 HA TYR A 82 6.515 13.861 1.811 1.00 0.00 H new ATOM 0 HB2 TYR A 82 7.694 14.082 -0.248 1.00 0.00 H new ATOM 0 HB3 TYR A 82 7.392 15.806 -0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.131 13.490 2.051 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.285 17.121 -0.174 1.00 0.00 H new ATOM 0 HE1 TYR A 82 11.451 13.955 2.954 1.00 0.00 H new ATOM 0 HE2 TYR A 82 11.601 17.575 0.739 1.00 0.00 H new ATOM 0 HH TYR A 82 13.193 16.874 2.003 1.00 0.00 H new ATOM 1280 N LEU A 83 6.886 15.244 3.778 1.00 0.00 N ATOM 1281 CA LEU A 83 7.192 16.007 4.976 1.00 0.00 C ATOM 1282 C LEU A 83 7.439 15.045 6.140 1.00 0.00 C ATOM 1283 O LEU A 83 7.151 13.854 6.037 1.00 0.00 O ATOM 1284 CB LEU A 83 6.094 17.036 5.251 1.00 0.00 C ATOM 1285 CG LEU A 83 6.388 18.052 6.356 1.00 0.00 C ATOM 1286 CD1 LEU A 83 5.869 19.441 5.978 1.00 0.00 C ATOM 1287 CD2 LEU A 83 5.830 17.578 7.700 1.00 0.00 C ATOM 0 H LEU A 83 6.634 14.270 3.946 1.00 0.00 H new ATOM 0 HA LEU A 83 8.108 16.582 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.895 17.580 4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.180 16.502 5.510 1.00 0.00 H new ATOM 0 HG LEU A 83 7.469 18.132 6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.091 20.144 6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.354 19.773 5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.791 19.397 5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.053 18.319 8.468 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.750 17.451 7.621 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.289 16.627 7.969 1.00 0.00 H new ATOM 1299 N ALA A 84 7.969 15.599 7.221 1.00 0.00 N ATOM 1300 CA ALA A 84 8.257 14.805 8.403 1.00 0.00 C ATOM 1301 C ALA A 84 7.158 13.757 8.589 1.00 0.00 C ATOM 1302 O ALA A 84 7.438 12.618 8.960 1.00 0.00 O ATOM 1303 CB ALA A 84 8.395 15.727 9.616 1.00 0.00 C ATOM 0 H ALA A 84 8.206 16.588 7.303 1.00 0.00 H new ATOM 0 HA ALA A 84 9.202 14.274 8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.611 15.131 10.503 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.208 16.433 9.446 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.464 16.275 9.765 1.00 0.00 H new ATOM 1309 N LYS A 85 5.931 14.179 8.322 1.00 0.00 N ATOM 1310 CA LYS A 85 4.789 13.291 8.456 1.00 0.00 C ATOM 1311 C LYS A 85 3.638 13.814 7.593 1.00 0.00 C ATOM 1312 O LYS A 85 2.550 14.082 8.100 1.00 0.00 O ATOM 1313 CB LYS A 85 4.419 13.110 9.929 1.00 0.00 C ATOM 1314 CG LYS A 85 4.233 14.464 10.618 1.00 0.00 C ATOM 1315 CD LYS A 85 2.750 14.762 10.849 1.00 0.00 C ATOM 1316 CE LYS A 85 2.414 14.747 12.341 1.00 0.00 C ATOM 1317 NZ LYS A 85 2.033 16.102 12.800 1.00 0.00 N ATOM 0 H LYS A 85 5.703 15.124 8.014 1.00 0.00 H new ATOM 0 HA LYS A 85 5.037 12.295 8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.501 12.528 10.008 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.200 12.544 10.437 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.761 14.467 11.572 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.675 15.251 10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.501 15.735 10.426 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.141 14.023 10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.597 14.050 12.529 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.273 14.392 12.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.808 16.074 13.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.823 16.758 12.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.200 16.427 12.269 1.00 0.00 H new ATOM 1331 N ALA A 86 3.919 13.944 6.305 1.00 0.00 N ATOM 1332 CA ALA A 86 2.921 14.430 5.367 1.00 0.00 C ATOM 1333 C ALA A 86 2.146 13.242 4.792 1.00 0.00 C ATOM 1334 O ALA A 86 0.956 13.355 4.501 1.00 0.00 O ATOM 1335 CB ALA A 86 3.604 15.262 4.280 1.00 0.00 C ATOM 0 H ALA A 86 4.823 13.721 5.889 1.00 0.00 H new ATOM 0 HA ALA A 86 2.204 15.078 5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.855 15.626 3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.115 16.109 4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.329 14.644 3.750 1.00 0.00 H new ATOM 1341 N VAL A 87 2.853 12.131 4.645 1.00 0.00 N ATOM 1342 CA VAL A 87 2.246 10.924 4.110 1.00 0.00 C ATOM 1343 C VAL A 87 3.035 9.705 4.592 1.00 0.00 C ATOM 1344 O VAL A 87 4.103 9.848 5.186 1.00 0.00 O ATOM 1345 CB VAL A 87 2.159 11.014 2.585 1.00 0.00 C ATOM 1346 CG1 VAL A 87 1.312 12.214 2.154 1.00 0.00 C ATOM 1347 CG2 VAL A 87 3.553 11.074 1.958 1.00 0.00 C ATOM 0 H VAL A 87 3.840 12.041 4.887 1.00 0.00 H new ATOM 0 HA VAL A 87 1.225 10.816 4.475 1.00 0.00 H new ATOM 0 HB VAL A 87 1.668 10.110 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.266 12.255 1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.304 12.111 2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.762 13.132 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.462 11.137 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.082 11.952 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.110 10.176 2.223 1.00 0.00 H new ATOM 1357 N GLN A 88 2.479 8.534 4.320 1.00 0.00 N ATOM 1358 CA GLN A 88 3.117 7.291 4.719 1.00 0.00 C ATOM 1359 C GLN A 88 2.120 6.133 4.639 1.00 0.00 C ATOM 1360 O GLN A 88 1.166 6.076 5.413 1.00 0.00 O ATOM 1361 CB GLN A 88 3.711 7.407 6.124 1.00 0.00 C ATOM 1362 CG GLN A 88 5.240 7.385 6.076 1.00 0.00 C ATOM 1363 CD GLN A 88 5.832 7.324 7.486 1.00 0.00 C ATOM 1364 OE1 GLN A 88 5.305 6.685 8.382 1.00 0.00 O ATOM 1365 NE2 GLN A 88 6.954 8.023 7.632 1.00 0.00 N ATOM 0 H GLN A 88 1.593 8.419 3.828 1.00 0.00 H new ATOM 0 HA GLN A 88 3.936 7.088 4.029 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.371 8.331 6.591 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.351 6.586 6.744 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.577 6.524 5.499 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.604 8.275 5.563 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.342 8.536 6.840 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.427 8.046 8.536 1.00 0.00 H new ATOM 1374 N ILE A 89 2.375 5.239 3.695 1.00 0.00 N ATOM 1375 CA ILE A 89 1.512 4.086 3.503 1.00 0.00 C ATOM 1376 C ILE A 89 1.762 3.076 4.624 1.00 0.00 C ATOM 1377 O ILE A 89 2.887 2.615 4.810 1.00 0.00 O ATOM 1378 CB ILE A 89 1.698 3.506 2.100 1.00 0.00 C ATOM 1379 CG1 ILE A 89 1.198 4.481 1.032 1.00 0.00 C ATOM 1380 CG2 ILE A 89 1.030 2.134 1.981 1.00 0.00 C ATOM 1381 CD1 ILE A 89 1.527 3.972 -0.373 1.00 0.00 C ATOM 0 H ILE A 89 3.167 5.290 3.055 1.00 0.00 H new ATOM 0 HA ILE A 89 0.464 4.379 3.565 1.00 0.00 H new ATOM 0 HB ILE A 89 2.765 3.361 1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.121 4.614 1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.655 5.459 1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.177 1.744 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.474 1.449 2.704 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.037 2.230 2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.161 4.684 -1.113 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.607 3.864 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.048 3.006 -0.531 1.00 0.00 H new ATOM 1393 N HIS A 90 0.694 2.761 5.343 1.00 0.00 N ATOM 1394 CA HIS A 90 0.783 1.814 6.441 1.00 0.00 C ATOM 1395 C HIS A 90 0.302 0.439 5.973 1.00 0.00 C ATOM 1396 O HIS A 90 -0.782 0.317 5.405 1.00 0.00 O ATOM 1397 CB HIS A 90 0.019 2.325 7.663 1.00 0.00 C ATOM 1398 CG HIS A 90 0.448 1.693 8.965 1.00 0.00 C ATOM 1399 ND1 HIS A 90 0.504 2.395 10.157 1.00 0.00 N ATOM 1400 CD2 HIS A 90 0.841 0.418 9.250 1.00 0.00 C ATOM 1401 CE1 HIS A 90 0.914 1.570 11.109 1.00 0.00 C ATOM 1402 NE2 HIS A 90 1.123 0.346 10.545 1.00 0.00 N ATOM 0 H HIS A 90 -0.238 3.145 5.186 1.00 0.00 H new ATOM 0 HA HIS A 90 1.822 1.710 6.753 1.00 0.00 H new ATOM 0 HB2 HIS A 90 0.150 3.405 7.735 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -1.045 2.142 7.516 1.00 0.00 H new ATOM 0 HD2 HIS A 90 0.911 -0.395 8.542 1.00 0.00 H new ATOM 0 HE1 HIS A 90 1.058 1.822 12.149 1.00 0.00 H new ATOM 0 HE2 HIS A 90 1.443 -0.488 11.037 1.00 0.00 H new ATOM 1411 N PHE A 91 1.132 -0.562 6.229 1.00 0.00 N ATOM 1412 CA PHE A 91 0.805 -1.923 5.841 1.00 0.00 C ATOM 1413 C PHE A 91 -0.156 -2.564 6.846 1.00 0.00 C ATOM 1414 O PHE A 91 0.005 -2.400 8.054 1.00 0.00 O ATOM 1415 CB PHE A 91 2.115 -2.713 5.832 1.00 0.00 C ATOM 1416 CG PHE A 91 2.539 -3.231 7.208 1.00 0.00 C ATOM 1417 CD1 PHE A 91 1.877 -4.274 7.776 1.00 0.00 C ATOM 1418 CD2 PHE A 91 3.579 -2.648 7.863 1.00 0.00 C ATOM 1419 CE1 PHE A 91 2.270 -4.755 9.053 1.00 0.00 C ATOM 1420 CE2 PHE A 91 3.972 -3.129 9.140 1.00 0.00 C ATOM 1421 CZ PHE A 91 3.309 -4.172 9.708 1.00 0.00 C ATOM 0 H PHE A 91 2.030 -0.457 6.700 1.00 0.00 H new ATOM 0 HA PHE A 91 0.322 -1.925 4.864 1.00 0.00 H new ATOM 0 HB2 PHE A 91 2.012 -3.559 5.152 1.00 0.00 H new ATOM 0 HB3 PHE A 91 2.907 -2.079 5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.052 -4.737 7.256 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.105 -1.820 7.412 1.00 0.00 H new ATOM 0 HE1 PHE A 91 1.744 -5.584 9.504 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.798 -2.666 9.660 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.608 -4.537 10.679 1.00 0.00 H new ATOM 1431 N VAL A 92 -1.133 -3.279 6.308 1.00 0.00 N ATOM 1432 CA VAL A 92 -2.119 -3.944 7.142 1.00 0.00 C ATOM 1433 C VAL A 92 -2.408 -5.334 6.572 1.00 0.00 C ATOM 1434 O VAL A 92 -2.068 -5.622 5.425 1.00 0.00 O ATOM 1435 CB VAL A 92 -3.373 -3.076 7.264 1.00 0.00 C ATOM 1436 CG1 VAL A 92 -4.582 -3.914 7.685 1.00 0.00 C ATOM 1437 CG2 VAL A 92 -3.145 -1.916 8.235 1.00 0.00 C ATOM 0 H VAL A 92 -1.263 -3.412 5.305 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.735 -4.080 8.153 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.584 -2.654 6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.460 -3.272 7.764 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.765 -4.689 6.940 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.384 -4.379 8.651 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.052 -1.315 8.303 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.896 -2.310 9.220 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.325 -1.295 7.874 1.00 0.00 H new ATOM 1447 N LYS A 93 -3.032 -6.160 7.399 1.00 0.00 N ATOM 1448 CA LYS A 93 -3.371 -7.513 6.992 1.00 0.00 C ATOM 1449 C LYS A 93 -4.636 -7.961 7.727 1.00 0.00 C ATOM 1450 O LYS A 93 -5.554 -8.504 7.114 1.00 0.00 O ATOM 1451 CB LYS A 93 -2.177 -8.448 7.196 1.00 0.00 C ATOM 1452 CG LYS A 93 -1.392 -8.069 8.453 1.00 0.00 C ATOM 1453 CD LYS A 93 -1.007 -9.313 9.256 1.00 0.00 C ATOM 1454 CE LYS A 93 0.359 -9.846 8.819 1.00 0.00 C ATOM 1455 NZ LYS A 93 1.446 -9.099 9.491 1.00 0.00 N ATOM 0 H LYS A 93 -3.312 -5.918 8.350 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.594 -7.546 5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.526 -9.477 7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.522 -8.402 6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.493 -7.520 8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.992 -7.403 9.073 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.984 -9.072 10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.763 -10.086 9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.436 -10.906 9.059 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.462 -9.756 7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.366 -9.473 9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.381 -8.092 9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.356 -9.207 10.521 1.00 0.00 H new ATOM 1469 N ASP A 94 -4.643 -7.717 9.029 1.00 0.00 N ATOM 1470 CA ASP A 94 -5.780 -8.089 9.853 1.00 0.00 C ATOM 1471 C ASP A 94 -5.653 -7.416 11.222 1.00 0.00 C ATOM 1472 O ASP A 94 -5.635 -8.092 12.250 1.00 0.00 O ATOM 1473 CB ASP A 94 -5.830 -9.602 10.073 1.00 0.00 C ATOM 1474 CG ASP A 94 -7.150 -10.130 10.640 1.00 0.00 C ATOM 1475 OD1 ASP A 94 -8.101 -10.257 9.839 1.00 0.00 O ATOM 1476 OD2 ASP A 94 -7.177 -10.394 11.861 1.00 0.00 O ATOM 0 H ASP A 94 -3.880 -7.266 9.533 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.687 -7.770 9.340 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.636 -10.099 9.122 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.023 -9.882 10.750 1.00 0.00 H new ATOM 1481 N LYS A 95 -5.569 -6.095 11.191 1.00 0.00 N ATOM 1482 CA LYS A 95 -5.445 -5.323 12.416 1.00 0.00 C ATOM 1483 C LYS A 95 -6.840 -4.973 12.937 1.00 0.00 C ATOM 1484 O LYS A 95 -6.988 -4.094 13.784 1.00 0.00 O ATOM 1485 CB LYS A 95 -4.548 -4.104 12.193 1.00 0.00 C ATOM 1486 CG LYS A 95 -3.604 -3.894 13.379 1.00 0.00 C ATOM 1487 CD LYS A 95 -2.142 -3.938 12.931 1.00 0.00 C ATOM 1488 CE LYS A 95 -1.304 -2.909 13.693 1.00 0.00 C ATOM 1489 NZ LYS A 95 -0.746 -1.904 12.761 1.00 0.00 N ATOM 0 H LYS A 95 -5.584 -5.539 10.336 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.954 -5.913 13.190 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.967 -4.237 11.280 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.164 -3.216 12.052 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.815 -2.934 13.850 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.781 -4.664 14.130 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.737 -4.936 13.096 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.080 -3.742 11.861 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.919 -2.415 14.445 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.495 -3.411 14.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.180 -1.213 13.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.143 -2.379 12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.523 -1.413 12.274 1.00 0.00 H new ATOM 1503 N ALA A 96 -7.829 -5.679 12.407 1.00 0.00 N ATOM 1504 CA ALA A 96 -9.208 -5.453 12.808 1.00 0.00 C ATOM 1505 C ALA A 96 -9.477 -6.181 14.127 1.00 0.00 C ATOM 1506 O ALA A 96 -10.090 -5.623 15.034 1.00 0.00 O ATOM 1507 CB ALA A 96 -10.146 -5.908 11.689 1.00 0.00 C ATOM 0 H ALA A 96 -7.703 -6.407 11.704 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.390 -4.391 12.974 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.180 -5.739 11.990 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -9.934 -5.340 10.783 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.994 -6.970 11.496 1.00 0.00 H new ATOM 1513 N ILE A 97 -9.004 -7.417 14.190 1.00 0.00 N ATOM 1514 CA ILE A 97 -9.185 -8.228 15.382 1.00 0.00 C ATOM 1515 C ILE A 97 -8.063 -7.924 16.376 1.00 0.00 C ATOM 1516 O ILE A 97 -7.425 -8.838 16.897 1.00 0.00 O ATOM 1517 CB ILE A 97 -9.295 -9.708 15.012 1.00 0.00 C ATOM 1518 CG1 ILE A 97 -10.152 -10.466 16.028 1.00 0.00 C ATOM 1519 CG2 ILE A 97 -7.909 -10.337 14.849 1.00 0.00 C ATOM 1520 CD1 ILE A 97 -10.850 -11.660 15.375 1.00 0.00 C ATOM 0 H ILE A 97 -8.496 -7.877 13.435 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.124 -7.976 15.875 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.798 -9.782 14.048 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.526 -10.812 16.851 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.897 -9.794 16.454 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -8.016 -11.389 14.586 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.365 -9.819 14.059 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.358 -10.251 15.786 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -11.452 -12.181 16.119 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -11.494 -11.309 14.569 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.102 -12.342 14.971 1.00 0.00 H new ATOM 1532 N ASP A 98 -7.855 -6.636 16.610 1.00 0.00 N ATOM 1533 CA ASP A 98 -6.821 -6.201 17.532 1.00 0.00 C ATOM 1534 C ASP A 98 -7.324 -6.360 18.969 1.00 0.00 C ATOM 1535 O ASP A 98 -7.142 -5.468 19.796 1.00 0.00 O ATOM 1536 CB ASP A 98 -6.473 -4.727 17.314 1.00 0.00 C ATOM 1537 CG ASP A 98 -4.989 -4.384 17.457 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -4.585 -4.076 18.599 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -4.292 -4.438 16.421 1.00 0.00 O ATOM 0 H ASP A 98 -8.385 -5.880 16.177 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.935 -6.811 17.356 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.803 -4.435 16.317 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.039 -4.127 18.026 1.00 0.00 H new ATOM 1544 N ASN A 99 -7.946 -7.502 19.220 1.00 0.00 N ATOM 1545 CA ASN A 99 -8.477 -7.790 20.542 1.00 0.00 C ATOM 1546 C ASN A 99 -8.140 -9.234 20.919 1.00 0.00 C ATOM 1547 O ASN A 99 -7.721 -9.504 22.044 1.00 0.00 O ATOM 1548 CB ASN A 99 -9.999 -7.636 20.570 1.00 0.00 C ATOM 1549 CG ASN A 99 -10.496 -7.361 21.990 1.00 0.00 C ATOM 1550 OD1 ASN A 99 -9.876 -6.653 22.767 1.00 0.00 O ATOM 1551 ND2 ASN A 99 -11.647 -7.960 22.286 1.00 0.00 N ATOM 0 H ASN A 99 -8.094 -8.239 18.531 1.00 0.00 H new ATOM 0 HA ASN A 99 -8.031 -7.087 21.245 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -10.298 -6.820 19.912 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.467 -8.543 20.186 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.062 -7.839 23.210 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.114 -8.540 21.589 1.00 0.00 H new ATOM 1558 N ALA A 100 -8.336 -10.124 19.957 1.00 0.00 N ATOM 1559 CA ALA A 100 -8.058 -11.533 20.174 1.00 0.00 C ATOM 1560 C ALA A 100 -7.543 -12.153 18.874 1.00 0.00 C ATOM 1561 O ALA A 100 -7.711 -11.579 17.799 1.00 0.00 O ATOM 1562 CB ALA A 100 -9.319 -12.228 20.692 1.00 0.00 C ATOM 0 H ALA A 100 -8.684 -9.896 19.026 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.282 -11.659 20.929 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.111 -13.285 20.855 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.627 -11.770 21.632 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.119 -12.125 19.959 1.00 0.00 H new ATOM 1568 N MET A 101 -6.926 -13.317 19.014 1.00 0.00 N ATOM 1569 CA MET A 101 -6.385 -14.021 17.864 1.00 0.00 C ATOM 1570 C MET A 101 -5.718 -15.332 18.287 1.00 0.00 C ATOM 1571 O MET A 101 -4.563 -15.336 18.712 1.00 0.00 O ATOM 1572 CB MET A 101 -5.360 -13.132 17.156 1.00 0.00 C ATOM 1573 CG MET A 101 -5.286 -13.462 15.664 1.00 0.00 C ATOM 1574 SD MET A 101 -4.319 -12.226 14.813 1.00 0.00 S ATOM 1575 CE MET A 101 -2.673 -12.807 15.190 1.00 0.00 C ATOM 0 H MET A 101 -6.789 -13.790 19.907 1.00 0.00 H new ATOM 0 HA MET A 101 -7.206 -14.255 17.186 1.00 0.00 H new ATOM 0 HB2 MET A 101 -5.630 -12.084 17.287 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.379 -13.268 17.611 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.839 -14.446 15.522 1.00 0.00 H new ATOM 0 HG3 MET A 101 -6.290 -13.504 15.242 1.00 0.00 H new ATOM 0 HE1 MET A 101 -1.939 -12.154 14.717 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.523 -12.799 16.270 1.00 0.00 H new ATOM 0 HE3 MET A 101 -2.551 -13.823 14.814 1.00 0.00 H new TER 1585 MET A 101