USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 960 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 32 LYS NZ :NH3+ -173:sc= -0.0321 (180deg=-0.122) USER MOD Set 1.2: A 100 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.7!) USER MOD Single : A 3 LYS NZ :NH3+ -166:sc= -0.0543 (180deg=-0.33) USER MOD Single : A 5 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.0083) USER MOD Single : A 13 ASN :FLIP amide:sc= -7.26! C(o=-11!,f=-7.3!) USER MOD Single : A 15 ASN : amide:sc= -0.767 K(o=-0.77,f=-4!) USER MOD Single : A 16 ASN : amide:sc= -1.51! K(o=-1.5!,f=-2.2) USER MOD Single : A 21 THR OG1 : rot -14:sc= 0.982 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.471 F(o=-1.1,f=-0.47) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 157:sc= -2.85 (180deg=-3.53!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00188 USER MOD Single : A 48 GLN : amide:sc= -0.0167 K(o=-0.017,f=-1.4!) USER MOD Single : A 55 GLN : amide:sc= -0.191 K(o=-0.19,f=-1.5!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 63 GLN : amide:sc= -1.04 K(o=-1,f=-4.9!) USER MOD Single : A 64 HIS : no HE2:sc= -17.7! C(o=-18!,f=-17!) USER MOD Single : A 66 SER OG : rot -70:sc= 0.342! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.599 X(o=-0.6,f=-0.4) USER MOD Single : A 81 THR OG1 : rot -150:sc= -1.22 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -135:sc= 0 (180deg=-0.0594) USER MOD Single : A 106 SER OG : rot 180:sc= -0.248 USER MOD Single : A 111 ASN : amide:sc= -1.31 K(o=-1.3,f=-3.9!) USER MOD Single : A 119 ASN : amide:sc= -2.42 K(o=-2.4,f=-9.6!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 155:sc= -0.0891 (180deg=-0.508) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -6.851 -18.290 -0.521 1.00 0.00 N ATOM 43 CA LYS A 3 -5.735 -17.407 -0.203 1.00 0.00 C ATOM 44 C LYS A 3 -5.745 -16.177 -1.105 1.00 0.00 C ATOM 45 O LYS A 3 -5.996 -16.281 -2.306 1.00 0.00 O ATOM 46 CB LYS A 3 -4.408 -18.153 -0.345 1.00 0.00 C ATOM 47 CG LYS A 3 -4.078 -18.548 -1.777 1.00 0.00 C ATOM 48 CD LYS A 3 -3.848 -20.045 -1.908 1.00 0.00 C ATOM 49 CE LYS A 3 -2.683 -20.506 -1.047 1.00 0.00 C ATOM 50 NZ LYS A 3 -1.444 -19.727 -1.326 1.00 0.00 N ATOM 0 HA LYS A 3 -5.845 -17.078 0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.606 -17.526 0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.438 -19.051 0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.893 -18.246 -2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.187 -18.013 -2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.752 -20.580 -1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.652 -20.294 -2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.947 -20.404 0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.495 -21.564 -1.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.626 -20.213 -0.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.308 -19.647 -2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.531 -18.776 -0.913 1.00 0.00 H new ATOM 64 N LEU A 4 -5.457 -15.011 -0.529 1.00 0.00 N ATOM 65 CA LEU A 4 -5.417 -13.768 -1.289 1.00 0.00 C ATOM 66 C LEU A 4 -4.371 -12.820 -0.701 1.00 0.00 C ATOM 67 O LEU A 4 -4.469 -12.433 0.463 1.00 0.00 O ATOM 68 CB LEU A 4 -6.794 -13.101 -1.283 1.00 0.00 C ATOM 69 CG LEU A 4 -7.243 -12.550 0.073 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.829 -11.093 0.226 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.750 -12.701 0.234 1.00 0.00 C ATOM 0 H LEU A 4 -5.248 -14.904 0.464 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.142 -13.998 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.788 -12.285 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.533 -13.825 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.753 -13.126 0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.158 -10.721 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.744 -11.014 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.288 -10.499 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.054 -12.305 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.258 -12.151 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.019 -13.756 0.173 1.00 0.00 H new ATOM 83 N GLN A 5 -3.363 -12.453 -1.490 1.00 0.00 N ATOM 84 CA GLN A 5 -2.310 -11.562 -1.017 1.00 0.00 C ATOM 85 C GLN A 5 -2.504 -10.140 -1.533 1.00 0.00 C ATOM 86 O GLN A 5 -3.115 -9.922 -2.578 1.00 0.00 O ATOM 87 CB GLN A 5 -0.947 -12.078 -1.484 1.00 0.00 C ATOM 88 CG GLN A 5 -0.844 -13.592 -1.522 1.00 0.00 C ATOM 89 CD GLN A 5 0.417 -14.073 -2.213 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.409 -14.401 -1.561 1.00 0.00 O ATOM 91 NE2 GLN A 5 0.385 -14.116 -3.540 1.00 0.00 N ATOM 0 H GLN A 5 -3.255 -12.759 -2.457 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.356 -11.544 0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.742 -11.684 -2.479 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.175 -11.687 -0.821 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.866 -13.980 -0.504 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.714 -13.999 -2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.459 -13.835 -4.039 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.204 -14.430 -4.060 1.00 0.00 H new ATOM 100 N ILE A 6 -1.973 -9.175 -0.790 1.00 0.00 N ATOM 101 CA ILE A 6 -2.058 -7.764 -1.139 1.00 0.00 C ATOM 102 C ILE A 6 -0.752 -7.085 -0.722 1.00 0.00 C ATOM 103 O ILE A 6 -0.223 -7.378 0.347 1.00 0.00 O ATOM 104 CB ILE A 6 -3.244 -7.075 -0.429 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.576 -7.650 -0.915 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.204 -5.571 -0.656 1.00 0.00 C ATOM 107 CD1 ILE A 6 -5.611 -7.775 0.180 1.00 0.00 C ATOM 0 H ILE A 6 -1.468 -9.353 0.078 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.217 -7.676 -2.214 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.156 -7.267 0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.971 -7.014 -1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.401 -8.633 -1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.048 -5.104 -0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.273 -5.168 -0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.263 -5.363 -1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.530 -8.189 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.236 -8.435 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.814 -6.791 0.603 1.00 0.00 H new ATOM 119 N ALA A 7 -0.236 -6.165 -1.532 1.00 0.00 N ATOM 120 CA ALA A 7 0.988 -5.458 -1.173 1.00 0.00 C ATOM 121 C ALA A 7 0.743 -3.972 -1.271 1.00 0.00 C ATOM 122 O ALA A 7 0.320 -3.512 -2.313 1.00 0.00 O ATOM 123 CB ALA A 7 2.140 -5.867 -2.081 1.00 0.00 C ATOM 0 H ALA A 7 -0.640 -5.895 -2.429 1.00 0.00 H new ATOM 0 HA ALA A 7 1.264 -5.718 -0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.041 -5.325 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.315 -6.939 -1.987 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.890 -5.630 -3.115 1.00 0.00 H new ATOM 129 N VAL A 8 0.990 -3.212 -0.215 1.00 0.00 N ATOM 130 CA VAL A 8 0.749 -1.775 -0.284 1.00 0.00 C ATOM 131 C VAL A 8 1.910 -0.974 0.282 1.00 0.00 C ATOM 132 O VAL A 8 2.685 -1.465 1.097 1.00 0.00 O ATOM 133 CB VAL A 8 -0.558 -1.372 0.445 1.00 0.00 C ATOM 134 CG1 VAL A 8 -1.368 -2.599 0.843 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.261 -0.506 1.664 1.00 0.00 C ATOM 0 H VAL A 8 1.347 -3.552 0.678 1.00 0.00 H new ATOM 0 HA VAL A 8 0.647 -1.539 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.156 -0.785 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.279 -2.284 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.629 -3.168 -0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.776 -3.224 1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.196 -0.238 2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.369 -1.060 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.256 0.400 1.349 1.00 0.00 H new ATOM 145 N GLY A 9 2.023 0.265 -0.171 1.00 0.00 N ATOM 146 CA GLY A 9 3.091 1.114 0.294 1.00 0.00 C ATOM 147 C GLY A 9 2.695 2.572 0.412 1.00 0.00 C ATOM 148 O GLY A 9 1.939 3.092 -0.409 1.00 0.00 O ATOM 0 H GLY A 9 1.395 0.694 -0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.431 0.758 1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.936 1.029 -0.389 1.00 0.00 H new ATOM 152 N ILE A 10 3.244 3.237 1.422 1.00 0.00 N ATOM 153 CA ILE A 10 2.996 4.651 1.646 1.00 0.00 C ATOM 154 C ILE A 10 4.102 5.443 0.963 1.00 0.00 C ATOM 155 O ILE A 10 5.273 5.234 1.255 1.00 0.00 O ATOM 156 CB ILE A 10 2.963 5.004 3.153 1.00 0.00 C ATOM 157 CG1 ILE A 10 3.648 3.929 4.006 1.00 0.00 C ATOM 158 CG2 ILE A 10 1.531 5.203 3.620 1.00 0.00 C ATOM 159 CD1 ILE A 10 5.151 3.876 3.829 1.00 0.00 C ATOM 0 H ILE A 10 3.871 2.811 2.105 1.00 0.00 H new ATOM 0 HA ILE A 10 2.019 4.902 1.233 1.00 0.00 H new ATOM 0 HB ILE A 10 3.516 5.934 3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.421 4.112 5.056 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.227 2.956 3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.526 5.451 4.682 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.074 6.016 3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.965 4.286 3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.565 3.092 4.464 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.387 3.661 2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.584 4.836 4.109 1.00 0.00 H new ATOM 171 N ILE A 11 3.740 6.327 0.037 1.00 0.00 N ATOM 172 CA ILE A 11 4.742 7.101 -0.693 1.00 0.00 C ATOM 173 C ILE A 11 5.271 8.288 0.104 1.00 0.00 C ATOM 174 O ILE A 11 4.557 9.251 0.355 1.00 0.00 O ATOM 175 CB ILE A 11 4.209 7.618 -2.042 1.00 0.00 C ATOM 176 CG1 ILE A 11 3.168 6.651 -2.622 1.00 0.00 C ATOM 177 CG2 ILE A 11 5.369 7.812 -3.011 1.00 0.00 C ATOM 178 CD1 ILE A 11 3.064 6.707 -4.131 1.00 0.00 C ATOM 0 H ILE A 11 2.774 6.524 -0.224 1.00 0.00 H new ATOM 0 HA ILE A 11 5.560 6.402 -0.868 1.00 0.00 H new ATOM 0 HB ILE A 11 3.718 8.578 -1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.421 5.634 -2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.193 6.878 -2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.989 8.178 -3.965 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.071 8.537 -2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.878 6.860 -3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.309 5.997 -4.470 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.780 7.713 -4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.027 6.451 -4.572 1.00 0.00 H new ATOM 190 N ARG A 12 6.538 8.190 0.484 1.00 0.00 N ATOM 191 CA ARG A 12 7.199 9.243 1.261 1.00 0.00 C ATOM 192 C ARG A 12 7.655 10.370 0.345 1.00 0.00 C ATOM 193 O ARG A 12 7.942 10.142 -0.831 1.00 0.00 O ATOM 194 CB ARG A 12 8.393 8.687 2.033 1.00 0.00 C ATOM 195 CG ARG A 12 8.146 8.586 3.528 1.00 0.00 C ATOM 196 CD ARG A 12 9.052 9.524 4.311 1.00 0.00 C ATOM 197 NE ARG A 12 10.432 9.044 4.354 1.00 0.00 N ATOM 198 CZ ARG A 12 11.474 9.812 4.660 1.00 0.00 C ATOM 199 NH1 ARG A 12 11.300 11.095 4.950 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.695 9.295 4.677 1.00 0.00 N ATOM 0 H ARG A 12 7.135 7.391 0.268 1.00 0.00 H new ATOM 0 HA ARG A 12 6.477 9.635 1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.640 7.699 1.645 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.260 9.324 1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.104 8.823 3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.313 7.560 3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.027 10.515 3.857 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.673 9.629 5.328 1.00 0.00 H new ATOM 0 HE ARG A 12 10.606 8.063 4.137 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.363 11.498 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.103 11.678 5.184 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.835 8.309 4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.495 9.883 4.912 1.00 0.00 H new ATOM 214 N ASN A 13 7.722 11.588 0.888 1.00 0.00 N ATOM 215 CA ASN A 13 8.138 12.743 0.104 1.00 0.00 C ATOM 216 C ASN A 13 9.196 13.596 0.793 1.00 0.00 C ATOM 217 O ASN A 13 9.739 13.257 1.843 1.00 0.00 O ATOM 218 CB ASN A 13 6.942 13.625 -0.239 1.00 0.00 C ATOM 219 CG ASN A 13 6.971 14.146 -1.667 1.00 0.00 C ATOM 220 OD1 ASN A 13 7.417 13.315 -2.602 1.00 0.00 O flip ATOM 221 ND2 ASN A 13 6.594 15.289 -1.925 1.00 0.00 N flip ATOM 0 H ASN A 13 7.494 11.795 1.861 1.00 0.00 H new ATOM 0 HA ASN A 13 8.583 12.334 -0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 13 6.024 13.057 -0.085 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.913 14.470 0.449 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.258 15.896 -1.177 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.617 15.629 -2.886 1.00 0.00 H new ATOM 228 N GLU A 14 9.464 14.710 0.132 1.00 0.00 N ATOM 229 CA GLU A 14 10.444 15.693 0.567 1.00 0.00 C ATOM 230 C GLU A 14 10.180 16.175 1.984 1.00 0.00 C ATOM 231 O GLU A 14 11.066 16.169 2.838 1.00 0.00 O ATOM 232 CB GLU A 14 10.430 16.883 -0.394 1.00 0.00 C ATOM 233 CG GLU A 14 11.355 18.019 0.017 1.00 0.00 C ATOM 234 CD GLU A 14 10.601 19.282 0.385 1.00 0.00 C ATOM 235 OE1 GLU A 14 9.929 19.288 1.438 1.00 0.00 O ATOM 236 OE2 GLU A 14 10.682 20.267 -0.380 1.00 0.00 O ATOM 0 H GLU A 14 8.997 14.962 -0.739 1.00 0.00 H new ATOM 0 HA GLU A 14 11.423 15.214 0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.714 16.538 -1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.412 17.265 -0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.960 17.701 0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.043 18.236 -0.800 1.00 0.00 H new ATOM 243 N ASN A 15 8.967 16.625 2.202 1.00 0.00 N ATOM 244 CA ASN A 15 8.559 17.164 3.498 1.00 0.00 C ATOM 245 C ASN A 15 8.412 16.079 4.568 1.00 0.00 C ATOM 246 O ASN A 15 8.199 16.395 5.736 1.00 0.00 O ATOM 247 CB ASN A 15 7.248 17.943 3.347 1.00 0.00 C ATOM 248 CG ASN A 15 6.690 18.419 4.676 1.00 0.00 C ATOM 249 OD1 ASN A 15 5.980 17.686 5.364 1.00 0.00 O ATOM 250 ND2 ASN A 15 7.012 19.655 5.044 1.00 0.00 N ATOM 0 H ASN A 15 8.231 16.632 1.496 1.00 0.00 H new ATOM 0 HA ASN A 15 9.350 17.834 3.835 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.415 18.803 2.699 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.510 17.311 2.854 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.668 20.030 5.928 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.604 20.228 4.443 1.00 0.00 H new ATOM 257 N ASN A 16 8.505 14.809 4.167 1.00 0.00 N ATOM 258 CA ASN A 16 8.362 13.678 5.094 1.00 0.00 C ATOM 259 C ASN A 16 6.887 13.300 5.258 1.00 0.00 C ATOM 260 O ASN A 16 6.513 12.555 6.165 1.00 0.00 O ATOM 261 CB ASN A 16 9.031 13.976 6.456 1.00 0.00 C ATOM 262 CG ASN A 16 8.051 14.114 7.614 1.00 0.00 C ATOM 263 OD1 ASN A 16 8.155 13.404 8.614 1.00 0.00 O ATOM 264 ND2 ASN A 16 7.096 15.027 7.484 1.00 0.00 N ATOM 0 H ASN A 16 8.680 14.534 3.200 1.00 0.00 H new ATOM 0 HA ASN A 16 8.881 12.820 4.666 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.736 13.177 6.685 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.608 14.897 6.371 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.413 15.160 8.230 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.045 15.595 6.638 1.00 0.00 H new ATOM 271 N GLU A 17 6.063 13.790 4.338 1.00 0.00 N ATOM 272 CA GLU A 17 4.641 13.486 4.331 1.00 0.00 C ATOM 273 C GLU A 17 4.357 12.569 3.154 1.00 0.00 C ATOM 274 O GLU A 17 4.944 12.740 2.086 1.00 0.00 O ATOM 275 CB GLU A 17 3.811 14.769 4.224 1.00 0.00 C ATOM 276 CG GLU A 17 4.427 15.821 3.319 1.00 0.00 C ATOM 277 CD GLU A 17 3.630 17.112 3.299 1.00 0.00 C ATOM 278 OE1 GLU A 17 2.973 17.418 4.315 1.00 0.00 O ATOM 279 OE2 GLU A 17 3.665 17.815 2.268 1.00 0.00 O ATOM 0 H GLU A 17 6.362 14.405 3.581 1.00 0.00 H new ATOM 0 HA GLU A 17 4.364 12.994 5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.818 14.519 3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.681 15.191 5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.444 16.031 3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.498 15.426 2.305 1.00 0.00 H new ATOM 286 N ILE A 18 3.536 11.546 3.356 1.00 0.00 N ATOM 287 CA ILE A 18 3.301 10.580 2.308 1.00 0.00 C ATOM 288 C ILE A 18 1.966 10.773 1.591 1.00 0.00 C ATOM 289 O ILE A 18 0.893 10.720 2.186 1.00 0.00 O ATOM 290 CB ILE A 18 3.410 9.137 2.886 1.00 0.00 C ATOM 291 CG1 ILE A 18 2.077 8.378 2.834 1.00 0.00 C ATOM 292 CG2 ILE A 18 3.933 9.158 4.318 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.685 7.920 1.445 1.00 0.00 C ATOM 0 H ILE A 18 3.032 11.371 4.225 1.00 0.00 H new ATOM 0 HA ILE A 18 4.072 10.737 1.554 1.00 0.00 H new ATOM 0 HB ILE A 18 4.119 8.607 2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.140 7.509 3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.290 9.019 3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.999 8.138 4.696 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.921 9.617 4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.253 9.734 4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.733 7.392 1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.588 8.786 0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.452 7.252 1.052 1.00 0.00 H new ATOM 305 N PHE A 19 2.077 11.019 0.288 1.00 0.00 N ATOM 306 CA PHE A 19 0.930 11.242 -0.584 1.00 0.00 C ATOM 307 C PHE A 19 0.022 10.009 -0.640 1.00 0.00 C ATOM 308 O PHE A 19 0.256 9.083 -1.412 1.00 0.00 O ATOM 309 CB PHE A 19 1.443 11.628 -1.987 1.00 0.00 C ATOM 310 CG PHE A 19 0.583 11.189 -3.146 1.00 0.00 C ATOM 311 CD1 PHE A 19 0.749 9.935 -3.714 1.00 0.00 C ATOM 312 CD2 PHE A 19 -0.374 12.037 -3.678 1.00 0.00 C ATOM 313 CE1 PHE A 19 -0.023 9.536 -4.788 1.00 0.00 C ATOM 314 CE2 PHE A 19 -1.149 11.643 -4.752 1.00 0.00 C ATOM 315 CZ PHE A 19 -0.974 10.391 -5.307 1.00 0.00 C ATOM 0 H PHE A 19 2.974 11.069 -0.195 1.00 0.00 H new ATOM 0 HA PHE A 19 0.325 12.055 -0.184 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.549 12.712 -2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.439 11.205 -2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.491 9.262 -3.312 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.516 13.018 -3.248 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.117 8.557 -5.221 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.892 12.314 -5.157 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.580 10.081 -6.146 1.00 0.00 H new ATOM 325 N ILE A 20 -1.019 10.011 0.186 1.00 0.00 N ATOM 326 CA ILE A 20 -1.963 8.913 0.223 1.00 0.00 C ATOM 327 C ILE A 20 -3.280 9.340 -0.408 1.00 0.00 C ATOM 328 O ILE A 20 -3.718 10.477 -0.232 1.00 0.00 O ATOM 329 CB ILE A 20 -2.238 8.434 1.662 1.00 0.00 C ATOM 330 CG1 ILE A 20 -1.966 9.542 2.681 1.00 0.00 C ATOM 331 CG2 ILE A 20 -1.406 7.205 1.980 1.00 0.00 C ATOM 332 CD1 ILE A 20 -2.343 9.165 4.097 1.00 0.00 C ATOM 0 H ILE A 20 -1.226 10.767 0.839 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.519 8.089 -0.335 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.294 8.171 1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.907 9.800 2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.520 10.435 2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.612 6.880 3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.660 6.404 1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.348 7.447 1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.123 9.997 4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.408 8.935 4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.770 8.290 4.405 1.00 0.00 H new ATOM 344 N THR A 21 -3.919 8.432 -1.133 1.00 0.00 N ATOM 345 CA THR A 21 -5.192 8.745 -1.764 1.00 0.00 C ATOM 346 C THR A 21 -6.268 8.873 -0.698 1.00 0.00 C ATOM 347 O THR A 21 -6.630 7.889 -0.062 1.00 0.00 O ATOM 348 CB THR A 21 -5.572 7.651 -2.763 1.00 0.00 C ATOM 349 OG1 THR A 21 -5.721 6.404 -2.105 1.00 0.00 O ATOM 350 CG2 THR A 21 -4.554 7.466 -3.867 1.00 0.00 C ATOM 0 H THR A 21 -3.581 7.484 -1.297 1.00 0.00 H new ATOM 0 HA THR A 21 -5.101 9.689 -2.301 1.00 0.00 H new ATOM 0 HB THR A 21 -6.511 7.980 -3.209 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.339 6.462 -1.204 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.886 6.675 -4.539 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.449 8.396 -4.425 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.592 7.193 -3.433 1.00 0.00 H new ATOM 358 N ARG A 22 -6.762 10.090 -0.492 1.00 0.00 N ATOM 359 CA ARG A 22 -7.781 10.331 0.522 1.00 0.00 C ATOM 360 C ARG A 22 -8.935 11.167 -0.019 1.00 0.00 C ATOM 361 O ARG A 22 -8.728 12.132 -0.755 1.00 0.00 O ATOM 362 CB ARG A 22 -7.159 11.020 1.741 1.00 0.00 C ATOM 363 CG ARG A 22 -6.758 12.469 1.499 1.00 0.00 C ATOM 364 CD ARG A 22 -7.359 13.395 2.546 1.00 0.00 C ATOM 365 NE ARG A 22 -6.498 14.542 2.822 1.00 0.00 N ATOM 366 CZ ARG A 22 -6.265 15.521 1.952 1.00 0.00 C ATOM 367 NH1 ARG A 22 -6.828 15.499 0.750 1.00 0.00 N ATOM 368 NH2 ARG A 22 -5.469 16.528 2.284 1.00 0.00 N ATOM 0 H ARG A 22 -6.475 10.920 -1.011 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.185 9.363 0.818 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.869 10.984 2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.279 10.458 2.053 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.672 12.555 1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.087 12.778 0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.332 13.747 2.203 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.528 12.838 3.468 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.049 14.596 3.736 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.443 14.728 0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.645 16.253 0.087 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.035 16.552 3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.291 17.278 1.617 1.00 0.00 H new ATOM 493 N ASN A 31 -13.959 7.011 2.622 1.00 0.00 N ATOM 494 CA ASN A 31 -13.342 5.935 3.387 1.00 0.00 C ATOM 495 C ASN A 31 -12.396 5.115 2.512 1.00 0.00 C ATOM 496 O ASN A 31 -12.227 3.914 2.721 1.00 0.00 O ATOM 497 CB ASN A 31 -14.420 5.029 3.989 1.00 0.00 C ATOM 498 CG ASN A 31 -14.484 5.133 5.501 1.00 0.00 C ATOM 499 OD1 ASN A 31 -14.226 4.023 6.182 1.00 0.00 O flip ATOM 500 ND2 ASN A 31 -14.761 6.200 6.050 1.00 0.00 N flip ATOM 0 HA ASN A 31 -12.761 6.382 4.194 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.390 5.294 3.568 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.221 3.995 3.707 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.952 7.029 5.487 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.799 6.255 7.068 1.00 0.00 H new ATOM 507 N LYS A 32 -11.787 5.771 1.528 1.00 0.00 N ATOM 508 CA LYS A 32 -10.866 5.100 0.617 1.00 0.00 C ATOM 509 C LYS A 32 -9.443 5.616 0.782 1.00 0.00 C ATOM 510 O LYS A 32 -8.643 5.569 -0.151 1.00 0.00 O ATOM 511 CB LYS A 32 -11.320 5.268 -0.832 1.00 0.00 C ATOM 512 CG LYS A 32 -11.059 4.044 -1.695 1.00 0.00 C ATOM 513 CD LYS A 32 -12.346 3.301 -2.018 1.00 0.00 C ATOM 514 CE LYS A 32 -12.064 1.934 -2.619 1.00 0.00 C ATOM 515 NZ LYS A 32 -11.156 2.021 -3.796 1.00 0.00 N ATOM 0 H LYS A 32 -11.915 6.766 1.342 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.873 4.039 0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.387 5.492 -0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.808 6.126 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.572 4.349 -2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.371 3.374 -1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.938 3.185 -1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.942 3.890 -2.715 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.616 1.290 -1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.003 1.469 -2.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.083 1.087 -4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.537 2.707 -4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.213 2.330 -3.485 1.00 0.00 H new ATOM 529 N LEU A 33 -9.143 6.106 1.975 1.00 0.00 N ATOM 530 CA LEU A 33 -7.816 6.636 2.287 1.00 0.00 C ATOM 531 C LEU A 33 -6.763 5.527 2.242 1.00 0.00 C ATOM 532 O LEU A 33 -6.138 5.214 3.253 1.00 0.00 O ATOM 533 CB LEU A 33 -7.829 7.282 3.674 1.00 0.00 C ATOM 534 CG LEU A 33 -6.779 8.369 3.901 1.00 0.00 C ATOM 535 CD1 LEU A 33 -6.742 8.777 5.365 1.00 0.00 C ATOM 536 CD2 LEU A 33 -5.407 7.898 3.443 1.00 0.00 C ATOM 0 H LEU A 33 -9.803 6.149 2.751 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.559 7.386 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.816 7.712 3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.686 6.501 4.421 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.056 9.240 3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.989 9.552 5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.718 9.161 5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.492 7.911 5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.675 8.688 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.121 7.010 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.441 7.659 2.380 1.00 0.00 H new ATOM 548 N GLU A 34 -6.577 4.926 1.071 1.00 0.00 N ATOM 549 CA GLU A 34 -5.619 3.836 0.918 1.00 0.00 C ATOM 550 C GLU A 34 -4.389 4.245 0.115 1.00 0.00 C ATOM 551 O GLU A 34 -4.286 5.370 -0.374 1.00 0.00 O ATOM 552 CB GLU A 34 -6.291 2.632 0.255 1.00 0.00 C ATOM 553 CG GLU A 34 -5.772 1.292 0.754 1.00 0.00 C ATOM 554 CD GLU A 34 -5.014 0.525 -0.313 1.00 0.00 C ATOM 555 OE1 GLU A 34 -5.332 0.698 -1.508 1.00 0.00 O ATOM 556 OE2 GLU A 34 -4.101 -0.248 0.048 1.00 0.00 O ATOM 0 H GLU A 34 -7.075 5.174 0.216 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.281 3.569 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.365 2.684 0.431 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.141 2.691 -0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.119 1.456 1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.610 0.689 1.103 1.00 0.00 H new ATOM 563 N PHE A 35 -3.452 3.307 0.005 1.00 0.00 N ATOM 564 CA PHE A 35 -2.203 3.527 -0.716 1.00 0.00 C ATOM 565 C PHE A 35 -2.046 2.542 -1.881 1.00 0.00 C ATOM 566 O PHE A 35 -2.771 1.552 -1.972 1.00 0.00 O ATOM 567 CB PHE A 35 -1.007 3.390 0.241 1.00 0.00 C ATOM 568 CG PHE A 35 -1.387 3.133 1.676 1.00 0.00 C ATOM 569 CD1 PHE A 35 -1.994 1.944 2.046 1.00 0.00 C ATOM 570 CD2 PHE A 35 -1.141 4.083 2.650 1.00 0.00 C ATOM 571 CE1 PHE A 35 -2.348 1.708 3.360 1.00 0.00 C ATOM 572 CE2 PHE A 35 -1.490 3.855 3.967 1.00 0.00 C ATOM 573 CZ PHE A 35 -2.095 2.666 4.323 1.00 0.00 C ATOM 0 H PHE A 35 -3.537 2.376 0.412 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.230 4.537 -1.125 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.371 2.576 -0.106 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.412 4.302 0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.193 1.192 1.297 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.670 5.016 2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.821 0.777 3.634 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.290 4.606 4.717 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.370 2.485 5.352 1.00 0.00 H new ATOM 583 N PRO A 36 -1.065 2.794 -2.768 1.00 0.00 N ATOM 584 CA PRO A 36 -0.767 1.924 -3.919 1.00 0.00 C ATOM 585 C PRO A 36 -0.522 0.482 -3.486 1.00 0.00 C ATOM 586 O PRO A 36 -0.352 0.214 -2.296 1.00 0.00 O ATOM 587 CB PRO A 36 0.517 2.527 -4.512 1.00 0.00 C ATOM 588 CG PRO A 36 1.060 3.418 -3.449 1.00 0.00 C ATOM 589 CD PRO A 36 -0.134 3.934 -2.708 1.00 0.00 C ATOM 0 HA PRO A 36 -1.594 1.885 -4.627 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.232 1.748 -4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.305 3.086 -5.423 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.729 2.872 -2.783 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.637 4.236 -3.880 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.111 4.204 -1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.551 4.824 -3.180 1.00 0.00 H new ATOM 597 N GLY A 37 -0.491 -0.451 -4.442 1.00 0.00 N ATOM 598 CA GLY A 37 -0.249 -1.838 -4.081 1.00 0.00 C ATOM 599 C GLY A 37 -1.486 -2.717 -4.053 1.00 0.00 C ATOM 600 O GLY A 37 -1.845 -3.292 -3.025 1.00 0.00 O ATOM 0 H GLY A 37 -0.626 -0.275 -5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.465 -2.263 -4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.221 -1.866 -3.098 1.00 0.00 H new ATOM 604 N GLY A 38 -2.122 -2.818 -5.194 1.00 0.00 N ATOM 605 CA GLY A 38 -3.315 -3.636 -5.335 1.00 0.00 C ATOM 606 C GLY A 38 -3.279 -4.500 -6.589 1.00 0.00 C ATOM 607 O GLY A 38 -3.258 -3.968 -7.698 1.00 0.00 O ATOM 0 H GLY A 38 -1.835 -2.342 -6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.420 -4.276 -4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.193 -2.991 -5.366 1.00 0.00 H new ATOM 611 N LYS A 39 -3.275 -5.836 -6.406 1.00 0.00 N ATOM 612 CA LYS A 39 -3.248 -6.804 -7.517 1.00 0.00 C ATOM 613 C LYS A 39 -1.974 -7.643 -7.498 1.00 0.00 C ATOM 614 O LYS A 39 -1.852 -8.606 -8.256 1.00 0.00 O ATOM 615 CB LYS A 39 -3.398 -6.131 -8.886 1.00 0.00 C ATOM 616 CG LYS A 39 -3.557 -7.122 -10.027 1.00 0.00 C ATOM 617 CD LYS A 39 -4.879 -6.934 -10.757 1.00 0.00 C ATOM 618 CE LYS A 39 -6.064 -7.128 -9.823 1.00 0.00 C ATOM 619 NZ LYS A 39 -6.387 -8.567 -9.620 1.00 0.00 N ATOM 0 H LYS A 39 -3.290 -6.272 -5.484 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.108 -7.457 -7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.264 -5.469 -8.865 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.524 -5.507 -9.074 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.733 -7.002 -10.730 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.498 -8.138 -9.637 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.917 -5.935 -11.192 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.945 -7.644 -11.582 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.845 -6.667 -8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.935 -6.616 -10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.200 -8.653 -8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.621 -9.003 -10.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.566 -9.052 -9.206 1.00 0.00 H new ATOM 633 N ILE A 40 -1.029 -7.286 -6.628 1.00 0.00 N ATOM 634 CA ILE A 40 0.233 -8.026 -6.510 1.00 0.00 C ATOM 635 C ILE A 40 -0.012 -9.525 -6.593 1.00 0.00 C ATOM 636 O ILE A 40 0.290 -10.166 -7.599 1.00 0.00 O ATOM 637 CB ILE A 40 0.974 -7.702 -5.182 1.00 0.00 C ATOM 638 CG1 ILE A 40 1.766 -8.917 -4.669 1.00 0.00 C ATOM 639 CG2 ILE A 40 -0.008 -7.238 -4.125 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.994 -8.560 -3.865 1.00 0.00 C ATOM 0 H ILE A 40 -1.111 -6.491 -5.995 1.00 0.00 H new ATOM 0 HA ILE A 40 0.863 -7.710 -7.342 1.00 0.00 H new ATOM 0 HB ILE A 40 1.682 -6.899 -5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.109 -9.532 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.068 -9.526 -5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.528 -7.016 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.519 -6.340 -4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.740 -8.024 -3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.495 -9.472 -3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.674 -7.972 -4.481 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.700 -7.978 -2.992 1.00 0.00 H new ATOM 652 N GLU A 41 -0.562 -10.050 -5.510 1.00 0.00 N ATOM 653 CA GLU A 41 -0.887 -11.469 -5.364 1.00 0.00 C ATOM 654 C GLU A 41 -0.667 -12.254 -6.658 1.00 0.00 C ATOM 655 O GLU A 41 0.356 -12.920 -6.818 1.00 0.00 O ATOM 656 CB GLU A 41 -2.335 -11.611 -4.889 1.00 0.00 C ATOM 657 CG GLU A 41 -3.287 -10.574 -5.487 1.00 0.00 C ATOM 658 CD GLU A 41 -4.487 -11.205 -6.167 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.504 -11.437 -5.480 1.00 0.00 O ATOM 660 OE2 GLU A 41 -4.409 -11.468 -7.386 1.00 0.00 O ATOM 0 H GLU A 41 -0.802 -9.495 -4.689 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.210 -11.894 -4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.694 -12.608 -5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.360 -11.529 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.631 -9.905 -4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.745 -9.963 -6.209 1.00 0.00 H new ATOM 667 N MET A 42 -1.626 -12.158 -7.577 1.00 0.00 N ATOM 668 CA MET A 42 -1.549 -12.846 -8.869 1.00 0.00 C ATOM 669 C MET A 42 -0.821 -14.194 -8.761 1.00 0.00 C ATOM 670 O MET A 42 -1.402 -15.183 -8.315 1.00 0.00 O ATOM 671 CB MET A 42 -0.863 -11.947 -9.903 1.00 0.00 C ATOM 672 CG MET A 42 -1.790 -10.917 -10.522 1.00 0.00 C ATOM 673 SD MET A 42 -0.934 -9.799 -11.648 1.00 0.00 S ATOM 674 CE MET A 42 0.037 -8.833 -10.494 1.00 0.00 C ATOM 0 H MET A 42 -2.474 -11.605 -7.451 1.00 0.00 H new ATOM 0 HA MET A 42 -2.568 -13.055 -9.194 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.028 -11.433 -9.428 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.446 -12.570 -10.694 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.587 -11.429 -11.061 1.00 0.00 H new ATOM 0 HG3 MET A 42 -2.263 -10.337 -9.730 1.00 0.00 H new ATOM 0 HE1 MET A 42 0.894 -8.401 -11.011 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.578 -8.033 -10.081 1.00 0.00 H new ATOM 0 HE3 MET A 42 0.387 -9.475 -9.686 1.00 0.00 H new ATOM 684 N GLY A 43 0.449 -14.230 -9.174 1.00 0.00 N ATOM 685 CA GLY A 43 1.210 -15.468 -9.112 1.00 0.00 C ATOM 686 C GLY A 43 2.718 -15.260 -9.114 1.00 0.00 C ATOM 687 O GLY A 43 3.476 -16.218 -9.266 1.00 0.00 O ATOM 0 H GLY A 43 0.959 -13.429 -9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.928 -16.012 -8.211 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.937 -16.095 -9.961 1.00 0.00 H new ATOM 691 N GLU A 44 3.154 -14.019 -8.945 1.00 0.00 N ATOM 692 CA GLU A 44 4.581 -13.704 -8.929 1.00 0.00 C ATOM 693 C GLU A 44 5.188 -14.031 -7.564 1.00 0.00 C ATOM 694 O GLU A 44 4.615 -14.804 -6.797 1.00 0.00 O ATOM 695 CB GLU A 44 4.796 -12.227 -9.275 1.00 0.00 C ATOM 696 CG GLU A 44 5.649 -12.013 -10.515 1.00 0.00 C ATOM 697 CD GLU A 44 5.003 -11.074 -11.514 1.00 0.00 C ATOM 698 OE1 GLU A 44 5.168 -9.845 -11.367 1.00 0.00 O ATOM 699 OE2 GLU A 44 4.330 -11.567 -12.444 1.00 0.00 O ATOM 0 H GLU A 44 2.543 -13.213 -8.817 1.00 0.00 H new ATOM 0 HA GLU A 44 5.083 -14.315 -9.679 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.826 -11.752 -9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.268 -11.729 -8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.618 -11.612 -10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.835 -12.974 -10.994 1.00 0.00 H new ATOM 706 N THR A 45 6.340 -13.435 -7.254 1.00 0.00 N ATOM 707 CA THR A 45 6.991 -13.671 -5.976 1.00 0.00 C ATOM 708 C THR A 45 6.658 -12.528 -5.025 1.00 0.00 C ATOM 709 O THR A 45 6.362 -11.419 -5.470 1.00 0.00 O ATOM 710 CB THR A 45 8.509 -13.788 -6.169 1.00 0.00 C ATOM 711 OG1 THR A 45 8.830 -13.951 -7.540 1.00 0.00 O ATOM 712 CG2 THR A 45 9.127 -14.950 -5.423 1.00 0.00 C ATOM 0 H THR A 45 6.835 -12.790 -7.870 1.00 0.00 H new ATOM 0 HA THR A 45 6.630 -14.607 -5.550 1.00 0.00 H new ATOM 0 HB THR A 45 8.916 -12.860 -5.768 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.802 -14.022 -7.642 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.201 -14.970 -5.606 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.943 -14.836 -4.355 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.682 -15.883 -5.770 1.00 0.00 H new ATOM 720 N PRO A 46 6.691 -12.766 -3.702 1.00 0.00 N ATOM 721 CA PRO A 46 6.383 -11.737 -2.713 1.00 0.00 C ATOM 722 C PRO A 46 7.028 -10.397 -3.057 1.00 0.00 C ATOM 723 O PRO A 46 6.542 -9.341 -2.649 1.00 0.00 O ATOM 724 CB PRO A 46 6.960 -12.297 -1.402 1.00 0.00 C ATOM 725 CG PRO A 46 7.626 -13.591 -1.760 1.00 0.00 C ATOM 726 CD PRO A 46 7.018 -14.039 -3.057 1.00 0.00 C ATOM 0 HA PRO A 46 5.313 -11.534 -2.660 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.673 -11.600 -0.961 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.172 -12.455 -0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.703 -13.458 -1.862 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.470 -14.336 -0.980 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.716 -14.629 -3.651 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.133 -14.655 -2.900 1.00 0.00 H new ATOM 734 N GLU A 47 8.124 -10.443 -3.812 1.00 0.00 N ATOM 735 CA GLU A 47 8.827 -9.231 -4.205 1.00 0.00 C ATOM 736 C GLU A 47 8.534 -8.855 -5.661 1.00 0.00 C ATOM 737 O GLU A 47 8.187 -7.712 -5.947 1.00 0.00 O ATOM 738 CB GLU A 47 10.335 -9.410 -4.006 1.00 0.00 C ATOM 739 CG GLU A 47 10.889 -8.631 -2.824 1.00 0.00 C ATOM 740 CD GLU A 47 12.395 -8.753 -2.702 1.00 0.00 C ATOM 741 OE1 GLU A 47 13.094 -8.516 -3.710 1.00 0.00 O ATOM 742 OE2 GLU A 47 12.876 -9.084 -1.598 1.00 0.00 O ATOM 0 H GLU A 47 8.541 -11.306 -4.161 1.00 0.00 H new ATOM 0 HA GLU A 47 8.470 -8.420 -3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.551 -10.469 -3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.853 -9.096 -4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.620 -7.580 -2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.423 -8.990 -1.906 1.00 0.00 H new ATOM 749 N GLN A 48 8.690 -9.812 -6.579 1.00 0.00 N ATOM 750 CA GLN A 48 8.460 -9.555 -7.999 1.00 0.00 C ATOM 751 C GLN A 48 6.975 -9.429 -8.326 1.00 0.00 C ATOM 752 O GLN A 48 6.609 -9.128 -9.462 1.00 0.00 O ATOM 753 CB GLN A 48 9.096 -10.660 -8.843 1.00 0.00 C ATOM 754 CG GLN A 48 10.315 -10.200 -9.624 1.00 0.00 C ATOM 755 CD GLN A 48 9.950 -9.369 -10.839 1.00 0.00 C ATOM 756 OE1 GLN A 48 8.867 -9.517 -11.405 1.00 0.00 O ATOM 757 NE2 GLN A 48 10.857 -8.488 -11.247 1.00 0.00 N ATOM 0 H GLN A 48 8.974 -10.768 -6.364 1.00 0.00 H new ATOM 0 HA GLN A 48 8.928 -8.600 -8.239 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.382 -11.485 -8.191 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.353 -11.047 -9.540 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.962 -9.615 -8.970 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.888 -11.071 -9.943 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.742 -8.399 -10.748 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.668 -7.901 -12.060 1.00 0.00 H new ATOM 766 N ALA A 49 6.123 -9.648 -7.334 1.00 0.00 N ATOM 767 CA ALA A 49 4.689 -9.541 -7.537 1.00 0.00 C ATOM 768 C ALA A 49 4.231 -8.094 -7.374 1.00 0.00 C ATOM 769 O ALA A 49 3.456 -7.584 -8.182 1.00 0.00 O ATOM 770 CB ALA A 49 3.953 -10.459 -6.574 1.00 0.00 C ATOM 0 H ALA A 49 6.400 -9.900 -6.385 1.00 0.00 H new ATOM 0 HA ALA A 49 4.454 -9.854 -8.554 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.879 -10.370 -6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.262 -11.490 -6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.190 -10.176 -5.548 1.00 0.00 H new ATOM 776 N VAL A 50 4.733 -7.433 -6.334 1.00 0.00 N ATOM 777 CA VAL A 50 4.392 -6.037 -6.080 1.00 0.00 C ATOM 778 C VAL A 50 5.183 -5.109 -6.995 1.00 0.00 C ATOM 779 O VAL A 50 4.707 -4.047 -7.369 1.00 0.00 O ATOM 780 CB VAL A 50 4.644 -5.621 -4.613 1.00 0.00 C ATOM 781 CG1 VAL A 50 6.003 -6.109 -4.137 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.524 -4.108 -4.460 1.00 0.00 C ATOM 0 H VAL A 50 5.376 -7.841 -5.655 1.00 0.00 H new ATOM 0 HA VAL A 50 3.325 -5.945 -6.284 1.00 0.00 H new ATOM 0 HB VAL A 50 3.884 -6.089 -3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.157 -5.804 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.043 -7.196 -4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.784 -5.677 -4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.704 -3.832 -3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.259 -3.618 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.522 -3.791 -4.751 1.00 0.00 H new ATOM 792 N VAL A 51 6.392 -5.520 -7.354 1.00 0.00 N ATOM 793 CA VAL A 51 7.238 -4.710 -8.227 1.00 0.00 C ATOM 794 C VAL A 51 6.472 -4.284 -9.478 1.00 0.00 C ATOM 795 O VAL A 51 6.668 -3.183 -9.994 1.00 0.00 O ATOM 796 CB VAL A 51 8.524 -5.462 -8.636 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.363 -4.626 -9.596 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.338 -5.835 -7.406 1.00 0.00 C ATOM 0 H VAL A 51 6.809 -6.403 -7.058 1.00 0.00 H new ATOM 0 HA VAL A 51 7.527 -3.824 -7.662 1.00 0.00 H new ATOM 0 HB VAL A 51 8.231 -6.377 -9.150 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.263 -5.178 -9.868 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.783 -4.411 -10.494 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.644 -3.690 -9.113 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.240 -6.364 -7.713 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.615 -4.930 -6.865 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.743 -6.478 -6.758 1.00 0.00 H new ATOM 808 N ARG A 52 5.599 -5.163 -9.961 1.00 0.00 N ATOM 809 CA ARG A 52 4.806 -4.876 -11.152 1.00 0.00 C ATOM 810 C ARG A 52 3.655 -3.923 -10.838 1.00 0.00 C ATOM 811 O ARG A 52 3.290 -3.084 -11.661 1.00 0.00 O ATOM 812 CB ARG A 52 4.266 -6.171 -11.760 1.00 0.00 C ATOM 813 CG ARG A 52 5.178 -6.775 -12.815 1.00 0.00 C ATOM 814 CD ARG A 52 6.462 -7.312 -12.201 1.00 0.00 C ATOM 815 NE ARG A 52 7.555 -6.347 -12.281 1.00 0.00 N ATOM 816 CZ ARG A 52 8.093 -5.931 -13.426 1.00 0.00 C ATOM 817 NH1 ARG A 52 7.646 -6.397 -14.586 1.00 0.00 N ATOM 818 NH2 ARG A 52 9.083 -5.049 -13.411 1.00 0.00 N ATOM 0 H ARG A 52 5.423 -6.078 -9.547 1.00 0.00 H new ATOM 0 HA ARG A 52 5.460 -4.389 -11.876 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.113 -6.900 -10.964 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.290 -5.975 -12.205 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.656 -7.581 -13.331 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.419 -6.021 -13.564 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.283 -7.571 -11.157 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.751 -8.230 -12.712 1.00 0.00 H new ATOM 0 HE ARG A 52 7.928 -5.970 -11.410 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.886 -7.077 -14.604 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.062 -6.074 -15.460 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.432 -4.689 -12.523 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.495 -4.730 -14.288 1.00 0.00 H new ATOM 832 N GLU A 53 3.118 -4.035 -9.631 1.00 0.00 N ATOM 833 CA GLU A 53 2.039 -3.157 -9.186 1.00 0.00 C ATOM 834 C GLU A 53 2.624 -1.811 -8.763 1.00 0.00 C ATOM 835 O GLU A 53 2.015 -0.758 -8.936 1.00 0.00 O ATOM 836 CB GLU A 53 1.281 -3.799 -8.018 1.00 0.00 C ATOM 837 CG GLU A 53 -0.084 -4.358 -8.394 1.00 0.00 C ATOM 838 CD GLU A 53 -0.086 -5.073 -9.733 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.812 -5.911 -9.960 1.00 0.00 O ATOM 840 OE2 GLU A 53 -0.987 -4.794 -10.552 1.00 0.00 O ATOM 0 H GLU A 53 3.411 -4.726 -8.940 1.00 0.00 H new ATOM 0 HA GLU A 53 1.338 -3.002 -10.006 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.889 -4.603 -7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.153 -3.057 -7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.413 -5.050 -7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.808 -3.544 -8.422 1.00 0.00 H new ATOM 847 N LEU A 54 3.798 -1.897 -8.147 1.00 0.00 N ATOM 848 CA LEU A 54 4.473 -0.722 -7.620 1.00 0.00 C ATOM 849 C LEU A 54 4.471 0.358 -8.687 1.00 0.00 C ATOM 850 O LEU A 54 4.105 1.502 -8.427 1.00 0.00 O ATOM 851 CB LEU A 54 5.909 -1.074 -7.229 1.00 0.00 C ATOM 852 CG LEU A 54 6.495 -0.237 -6.096 1.00 0.00 C ATOM 853 CD1 LEU A 54 6.376 -0.975 -4.773 1.00 0.00 C ATOM 854 CD2 LEU A 54 7.944 0.116 -6.386 1.00 0.00 C ATOM 0 H LEU A 54 4.301 -2.772 -8.001 1.00 0.00 H new ATOM 0 HA LEU A 54 3.953 -0.363 -6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.943 -2.124 -6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.545 -0.965 -8.107 1.00 0.00 H new ATOM 0 HG LEU A 54 5.927 0.690 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.799 -0.363 -3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.326 -1.173 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.918 -1.919 -4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.344 0.713 -5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.528 -0.799 -6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.001 0.687 -7.313 1.00 0.00 H new ATOM 866 N GLN A 55 4.871 -0.016 -9.890 1.00 0.00 N ATOM 867 CA GLN A 55 4.902 0.926 -11.005 1.00 0.00 C ATOM 868 C GLN A 55 3.497 1.139 -11.564 1.00 0.00 C ATOM 869 O GLN A 55 3.169 2.212 -12.065 1.00 0.00 O ATOM 870 CB GLN A 55 5.836 0.422 -12.107 1.00 0.00 C ATOM 871 CG GLN A 55 5.937 1.361 -13.298 1.00 0.00 C ATOM 872 CD GLN A 55 7.357 1.503 -13.809 1.00 0.00 C ATOM 873 OE1 GLN A 55 8.228 0.695 -13.490 1.00 0.00 O ATOM 874 NE2 GLN A 55 7.597 2.535 -14.609 1.00 0.00 N ATOM 0 H GLN A 55 5.178 -0.960 -10.123 1.00 0.00 H new ATOM 0 HA GLN A 55 5.280 1.880 -10.637 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.831 0.273 -11.688 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.486 -0.551 -12.451 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.301 0.992 -14.102 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.556 2.343 -13.015 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.845 3.181 -14.848 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.534 2.682 -14.985 1.00 0.00 H new ATOM 883 N GLU A 56 2.673 0.107 -11.464 1.00 0.00 N ATOM 884 CA GLU A 56 1.299 0.178 -11.948 1.00 0.00 C ATOM 885 C GLU A 56 0.481 1.139 -11.090 1.00 0.00 C ATOM 886 O GLU A 56 -0.519 1.696 -11.542 1.00 0.00 O ATOM 887 CB GLU A 56 0.654 -1.208 -11.930 1.00 0.00 C ATOM 888 CG GLU A 56 -0.221 -1.490 -13.142 1.00 0.00 C ATOM 889 CD GLU A 56 -1.664 -1.765 -12.769 1.00 0.00 C ATOM 890 OE1 GLU A 56 -1.917 -2.143 -11.605 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.544 -1.602 -13.642 1.00 0.00 O ATOM 0 H GLU A 56 2.930 -0.790 -11.052 1.00 0.00 H new ATOM 0 HA GLU A 56 1.317 0.547 -12.974 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.438 -1.963 -11.875 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.052 -1.307 -11.027 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.181 -0.638 -13.820 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.180 -2.347 -13.683 1.00 0.00 H new ATOM 898 N GLU A 57 0.910 1.317 -9.844 1.00 0.00 N ATOM 899 CA GLU A 57 0.222 2.196 -8.909 1.00 0.00 C ATOM 900 C GLU A 57 1.016 3.478 -8.638 1.00 0.00 C ATOM 901 O GLU A 57 0.634 4.281 -7.788 1.00 0.00 O ATOM 902 CB GLU A 57 -0.056 1.461 -7.599 1.00 0.00 C ATOM 903 CG GLU A 57 -1.214 0.481 -7.688 1.00 0.00 C ATOM 904 CD GLU A 57 -0.752 -0.955 -7.830 1.00 0.00 C ATOM 905 OE1 GLU A 57 -0.487 -1.599 -6.794 1.00 0.00 O ATOM 906 OE2 GLU A 57 -0.654 -1.435 -8.978 1.00 0.00 O ATOM 0 H GLU A 57 1.736 0.860 -9.458 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.723 2.486 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.842 0.923 -7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.268 2.192 -6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.833 0.573 -6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.842 0.743 -8.540 1.00 0.00 H new ATOM 913 N VAL A 58 2.115 3.672 -9.369 1.00 0.00 N ATOM 914 CA VAL A 58 2.942 4.864 -9.203 1.00 0.00 C ATOM 915 C VAL A 58 3.282 5.463 -10.564 1.00 0.00 C ATOM 916 O VAL A 58 3.178 6.671 -10.772 1.00 0.00 O ATOM 917 CB VAL A 58 4.239 4.540 -8.416 1.00 0.00 C ATOM 918 CG1 VAL A 58 5.466 4.496 -9.321 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.435 5.537 -7.282 1.00 0.00 C ATOM 0 H VAL A 58 2.450 3.021 -10.079 1.00 0.00 H new ATOM 0 HA VAL A 58 2.373 5.594 -8.627 1.00 0.00 H new ATOM 0 HB VAL A 58 4.123 3.543 -7.991 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.349 4.266 -8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.330 3.726 -10.081 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.597 5.464 -9.804 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.349 5.296 -6.740 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.511 6.544 -7.692 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.585 5.486 -6.601 1.00 0.00 H new ATOM 929 N GLY A 59 3.654 4.593 -11.495 1.00 0.00 N ATOM 930 CA GLY A 59 3.971 5.014 -12.846 1.00 0.00 C ATOM 931 C GLY A 59 5.243 5.826 -12.987 1.00 0.00 C ATOM 932 O GLY A 59 5.969 5.681 -13.970 1.00 0.00 O ATOM 0 H GLY A 59 3.742 3.590 -11.334 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.053 4.128 -13.476 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.138 5.603 -13.231 1.00 0.00 H new ATOM 936 N ILE A 60 5.507 6.683 -12.025 1.00 0.00 N ATOM 937 CA ILE A 60 6.693 7.527 -12.065 1.00 0.00 C ATOM 938 C ILE A 60 7.914 6.780 -11.547 1.00 0.00 C ATOM 939 O ILE A 60 7.858 5.578 -11.293 1.00 0.00 O ATOM 940 CB ILE A 60 6.527 8.839 -11.255 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.306 8.794 -10.333 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.441 10.040 -12.189 1.00 0.00 C ATOM 943 CD1 ILE A 60 5.463 7.838 -9.169 1.00 0.00 C ATOM 0 H ILE A 60 4.919 6.818 -11.202 1.00 0.00 H new ATOM 0 HA ILE A 60 6.834 7.791 -13.113 1.00 0.00 H new ATOM 0 HB ILE A 60 7.410 8.942 -10.625 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.115 9.795 -9.947 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.431 8.504 -10.915 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.325 10.951 -11.601 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.353 10.105 -12.783 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.584 9.924 -12.852 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.561 7.857 -8.558 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.624 6.828 -9.547 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.318 8.139 -8.563 1.00 0.00 H new ATOM 955 N THR A 61 9.017 7.506 -11.401 1.00 0.00 N ATOM 956 CA THR A 61 10.255 6.940 -10.924 1.00 0.00 C ATOM 957 C THR A 61 10.585 7.490 -9.542 1.00 0.00 C ATOM 958 O THR A 61 11.232 8.529 -9.420 1.00 0.00 O ATOM 959 CB THR A 61 11.355 7.313 -11.899 1.00 0.00 C ATOM 960 OG1 THR A 61 11.100 8.584 -12.472 1.00 0.00 O ATOM 961 CG2 THR A 61 11.509 6.324 -13.031 1.00 0.00 C ATOM 0 H THR A 61 9.069 8.503 -11.612 1.00 0.00 H new ATOM 0 HA THR A 61 10.164 5.856 -10.852 1.00 0.00 H new ATOM 0 HB THR A 61 12.275 7.317 -11.314 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.819 8.811 -13.097 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.312 6.650 -13.692 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.749 5.341 -12.625 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.577 6.267 -13.593 1.00 0.00 H new ATOM 969 N PRO A 62 10.098 6.833 -8.480 1.00 0.00 N ATOM 970 CA PRO A 62 10.286 7.277 -7.118 1.00 0.00 C ATOM 971 C PRO A 62 11.203 6.391 -6.290 1.00 0.00 C ATOM 972 O PRO A 62 11.233 5.174 -6.473 1.00 0.00 O ATOM 973 CB PRO A 62 8.860 7.111 -6.615 1.00 0.00 C ATOM 974 CG PRO A 62 8.406 5.826 -7.245 1.00 0.00 C ATOM 975 CD PRO A 62 9.250 5.637 -8.491 1.00 0.00 C ATOM 0 HA PRO A 62 10.745 8.264 -7.051 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.823 7.058 -5.527 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.230 7.948 -6.915 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.536 4.990 -6.558 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.346 5.870 -7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.839 4.721 -8.448 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.638 5.581 -9.391 1.00 0.00 H new ATOM 983 N GLN A 63 11.891 6.993 -5.325 1.00 0.00 N ATOM 984 CA GLN A 63 12.725 6.219 -4.426 1.00 0.00 C ATOM 985 C GLN A 63 11.770 5.518 -3.479 1.00 0.00 C ATOM 986 O GLN A 63 11.505 5.979 -2.371 1.00 0.00 O ATOM 987 CB GLN A 63 13.695 7.118 -3.659 1.00 0.00 C ATOM 988 CG GLN A 63 14.817 7.673 -4.520 1.00 0.00 C ATOM 989 CD GLN A 63 15.711 8.635 -3.764 1.00 0.00 C ATOM 990 OE1 GLN A 63 15.287 9.264 -2.795 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.959 8.754 -4.204 1.00 0.00 N ATOM 0 H GLN A 63 11.886 7.998 -5.150 1.00 0.00 H new ATOM 0 HA GLN A 63 13.342 5.506 -4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.140 7.947 -3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.127 6.552 -2.834 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.418 6.848 -4.902 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.389 8.183 -5.383 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.269 8.213 -5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.607 9.386 -3.734 1.00 0.00 H new ATOM 1000 N HIS A 64 11.212 4.430 -3.973 1.00 0.00 N ATOM 1001 CA HIS A 64 10.217 3.665 -3.245 1.00 0.00 C ATOM 1002 C HIS A 64 10.631 2.210 -3.137 1.00 0.00 C ATOM 1003 O HIS A 64 10.992 1.582 -4.132 1.00 0.00 O ATOM 1004 CB HIS A 64 8.885 3.812 -3.988 1.00 0.00 C ATOM 1005 CG HIS A 64 7.787 2.861 -3.586 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.453 3.210 -3.636 1.00 0.00 N ATOM 1007 CD2 HIS A 64 7.815 1.571 -3.161 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.712 2.183 -3.261 1.00 0.00 C ATOM 1009 NE2 HIS A 64 6.514 1.178 -2.966 1.00 0.00 N ATOM 0 H HIS A 64 11.436 4.050 -4.893 1.00 0.00 H new ATOM 0 HA HIS A 64 10.117 4.039 -2.226 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.524 4.831 -3.845 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.073 3.687 -5.054 1.00 0.00 H new ATOM 0 HD1 HIS A 64 6.094 4.122 -3.919 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.697 0.967 -3.005 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.634 2.168 -3.205 1.00 0.00 H new ATOM 1018 N PHE A 65 10.577 1.675 -1.921 1.00 0.00 N ATOM 1019 CA PHE A 65 10.948 0.298 -1.680 1.00 0.00 C ATOM 1020 C PHE A 65 10.918 -0.022 -0.189 1.00 0.00 C ATOM 1021 O PHE A 65 10.452 0.773 0.617 1.00 0.00 O ATOM 1022 CB PHE A 65 12.350 0.066 -2.211 1.00 0.00 C ATOM 1023 CG PHE A 65 12.523 -1.247 -2.919 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.586 -1.671 -3.847 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.620 -2.055 -2.664 1.00 0.00 C ATOM 1026 CE1 PHE A 65 11.738 -2.874 -4.508 1.00 0.00 C ATOM 1027 CE2 PHE A 65 13.778 -3.261 -3.321 1.00 0.00 C ATOM 1028 CZ PHE A 65 12.834 -3.671 -4.247 1.00 0.00 C ATOM 0 H PHE A 65 10.278 2.183 -1.088 1.00 0.00 H new ATOM 0 HA PHE A 65 10.234 -0.351 -2.188 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.607 0.874 -2.896 1.00 0.00 H new ATOM 0 HB3 PHE A 65 13.055 0.116 -1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.726 -1.053 -4.056 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.360 -1.739 -1.944 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.999 -3.191 -5.229 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.636 -3.882 -3.112 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.955 -4.612 -4.764 1.00 0.00 H new ATOM 1038 N SER A 66 11.433 -1.193 0.160 1.00 0.00 N ATOM 1039 CA SER A 66 11.497 -1.646 1.544 1.00 0.00 C ATOM 1040 C SER A 66 10.111 -1.961 2.073 1.00 0.00 C ATOM 1041 O SER A 66 9.111 -1.602 1.458 1.00 0.00 O ATOM 1042 CB SER A 66 12.180 -0.596 2.426 1.00 0.00 C ATOM 1043 OG SER A 66 11.254 0.370 2.887 1.00 0.00 O ATOM 0 H SER A 66 11.819 -1.858 -0.510 1.00 0.00 H new ATOM 0 HA SER A 66 12.090 -2.560 1.573 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.653 -1.085 3.278 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.972 -0.103 1.862 1.00 0.00 H new ATOM 0 HG SER A 66 10.966 0.931 2.137 1.00 0.00 H new ATOM 1049 N LEU A 67 10.056 -2.642 3.214 1.00 0.00 N ATOM 1050 CA LEU A 67 8.782 -3.013 3.817 1.00 0.00 C ATOM 1051 C LEU A 67 8.699 -2.550 5.265 1.00 0.00 C ATOM 1052 O LEU A 67 9.534 -2.914 6.093 1.00 0.00 O ATOM 1053 CB LEU A 67 8.580 -4.528 3.741 1.00 0.00 C ATOM 1054 CG LEU A 67 9.483 -5.353 4.662 1.00 0.00 C ATOM 1055 CD1 LEU A 67 8.717 -5.807 5.895 1.00 0.00 C ATOM 1056 CD2 LEU A 67 10.054 -6.551 3.917 1.00 0.00 C ATOM 0 H LEU A 67 10.877 -2.947 3.737 1.00 0.00 H new ATOM 0 HA LEU A 67 7.991 -2.516 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.541 -4.752 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.746 -4.849 2.713 1.00 0.00 H new ATOM 0 HG LEU A 67 10.311 -4.722 4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.375 -6.392 6.537 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.357 -4.935 6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.868 -6.420 5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.693 -7.125 4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.239 -7.182 3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.640 -6.205 3.066 1.00 0.00 H new ATOM 1068 N PHE A 68 7.680 -1.752 5.567 1.00 0.00 N ATOM 1069 CA PHE A 68 7.483 -1.251 6.917 1.00 0.00 C ATOM 1070 C PHE A 68 6.907 -2.362 7.793 1.00 0.00 C ATOM 1071 O PHE A 68 7.261 -2.499 8.964 1.00 0.00 O ATOM 1072 CB PHE A 68 6.558 -0.019 6.892 1.00 0.00 C ATOM 1073 CG PHE A 68 5.357 -0.099 7.801 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.302 -0.949 7.508 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.283 0.682 8.943 1.00 0.00 C ATOM 1076 CE1 PHE A 68 3.198 -1.018 8.334 1.00 0.00 C ATOM 1077 CE2 PHE A 68 4.181 0.616 9.775 1.00 0.00 C ATOM 1078 CZ PHE A 68 3.136 -0.235 9.469 1.00 0.00 C ATOM 0 H PHE A 68 6.980 -1.440 4.894 1.00 0.00 H new ATOM 0 HA PHE A 68 8.439 -0.942 7.339 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.142 0.860 7.165 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.211 0.134 5.870 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.344 -1.565 6.622 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.096 1.350 9.186 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.383 -1.684 8.092 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.137 1.229 10.663 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.273 -0.287 10.116 1.00 0.00 H new ATOM 1088 N GLU A 69 6.022 -3.155 7.199 1.00 0.00 N ATOM 1089 CA GLU A 69 5.390 -4.268 7.897 1.00 0.00 C ATOM 1090 C GLU A 69 4.583 -5.125 6.928 1.00 0.00 C ATOM 1091 O GLU A 69 4.317 -4.721 5.799 1.00 0.00 O ATOM 1092 CB GLU A 69 4.484 -3.749 9.014 1.00 0.00 C ATOM 1093 CG GLU A 69 4.515 -4.603 10.271 1.00 0.00 C ATOM 1094 CD GLU A 69 3.181 -4.631 10.990 1.00 0.00 C ATOM 1095 OE1 GLU A 69 2.631 -3.543 11.264 1.00 0.00 O ATOM 1096 OE2 GLU A 69 2.686 -5.740 11.280 1.00 0.00 O ATOM 0 H GLU A 69 5.725 -3.046 6.229 1.00 0.00 H new ATOM 0 HA GLU A 69 6.175 -4.885 8.335 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.782 -2.732 9.269 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.460 -3.698 8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.803 -5.621 10.007 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.280 -4.220 10.947 1.00 0.00 H new ATOM 1103 N LYS A 70 4.185 -6.306 7.376 1.00 0.00 N ATOM 1104 CA LYS A 70 3.390 -7.211 6.556 1.00 0.00 C ATOM 1105 C LYS A 70 2.379 -7.936 7.441 1.00 0.00 C ATOM 1106 O LYS A 70 2.743 -8.465 8.491 1.00 0.00 O ATOM 1107 CB LYS A 70 4.289 -8.223 5.842 1.00 0.00 C ATOM 1108 CG LYS A 70 5.380 -8.801 6.732 1.00 0.00 C ATOM 1109 CD LYS A 70 5.275 -10.315 6.836 1.00 0.00 C ATOM 1110 CE LYS A 70 6.296 -11.007 5.947 1.00 0.00 C ATOM 1111 NZ LYS A 70 6.900 -12.193 6.614 1.00 0.00 N ATOM 0 H LYS A 70 4.400 -6.662 8.307 1.00 0.00 H new ATOM 0 HA LYS A 70 2.862 -6.633 5.798 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.674 -9.037 5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.751 -7.742 4.980 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.357 -8.530 6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.309 -8.362 7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.426 -10.621 7.871 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.271 -10.631 6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.817 -11.317 5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.082 -10.301 5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.590 -12.636 5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.379 -11.894 7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.153 -12.879 6.846 1.00 0.00 H new ATOM 1125 N LEU A 71 1.110 -7.934 7.046 1.00 0.00 N ATOM 1126 CA LEU A 71 0.087 -8.561 7.839 1.00 0.00 C ATOM 1127 C LEU A 71 -0.240 -9.983 7.376 1.00 0.00 C ATOM 1128 O LEU A 71 -0.710 -10.211 6.261 1.00 0.00 O ATOM 1129 CB LEU A 71 -1.150 -7.679 7.762 1.00 0.00 C ATOM 1130 CG LEU A 71 -2.443 -8.281 8.277 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -3.044 -9.245 7.265 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -2.235 -8.961 9.622 1.00 0.00 C ATOM 0 H LEU A 71 0.777 -7.504 6.183 1.00 0.00 H new ATOM 0 HA LEU A 71 0.445 -8.659 8.864 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.953 -6.765 8.322 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.299 -7.390 6.722 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.152 -7.466 8.421 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.970 -9.660 7.663 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.254 -8.714 6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.339 -10.053 7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.179 -9.383 9.966 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.498 -9.757 9.517 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.878 -8.230 10.348 1.00 0.00 H new ATOM 1144 N GLU A 72 0.041 -10.921 8.266 1.00 0.00 N ATOM 1145 CA GLU A 72 -0.189 -12.323 7.995 1.00 0.00 C ATOM 1146 C GLU A 72 -1.264 -12.893 8.917 1.00 0.00 C ATOM 1147 O GLU A 72 -1.038 -13.101 10.109 1.00 0.00 O ATOM 1148 CB GLU A 72 1.116 -13.094 8.154 1.00 0.00 C ATOM 1149 CG GLU A 72 0.945 -14.582 7.976 1.00 0.00 C ATOM 1150 CD GLU A 72 2.233 -15.353 8.188 1.00 0.00 C ATOM 1151 OE1 GLU A 72 3.222 -15.064 7.481 1.00 0.00 O ATOM 1152 OE2 GLU A 72 2.253 -16.248 9.059 1.00 0.00 O ATOM 0 H GLU A 72 0.432 -10.730 9.189 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.545 -12.426 6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.840 -12.727 7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.530 -12.897 9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.192 -14.943 8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.569 -14.782 6.973 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.434 -13.150 8.335 1.00 0.00 N ATOM 1160 CA TYR A 73 -3.565 -13.708 9.068 1.00 0.00 C ATOM 1161 C TYR A 73 -4.346 -14.689 8.197 1.00 0.00 C ATOM 1162 O TYR A 73 -4.844 -14.320 7.134 1.00 0.00 O ATOM 1163 CB TYR A 73 -4.489 -12.590 9.552 1.00 0.00 C ATOM 1164 CG TYR A 73 -5.155 -12.884 10.878 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -4.431 -13.414 11.938 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -6.508 -12.632 11.069 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -5.036 -13.686 13.151 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -7.120 -12.900 12.279 1.00 0.00 C ATOM 1169 CZ TYR A 73 -6.379 -13.427 13.316 1.00 0.00 C ATOM 1170 OH TYR A 73 -6.986 -13.696 14.521 1.00 0.00 O ATOM 0 H TYR A 73 -2.623 -12.978 7.347 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.176 -14.246 9.932 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.914 -11.668 9.641 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.258 -12.415 8.800 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.378 -13.617 11.813 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.091 -12.220 10.259 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.459 -14.099 13.965 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.173 -12.698 12.412 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.935 -13.455 14.471 1.00 0.00 H new ATOM 1180 N GLU A 74 -4.473 -15.930 8.651 1.00 0.00 N ATOM 1181 CA GLU A 74 -5.226 -16.930 7.896 1.00 0.00 C ATOM 1182 C GLU A 74 -6.373 -17.495 8.725 1.00 0.00 C ATOM 1183 O GLU A 74 -6.162 -18.262 9.665 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.319 -18.059 7.404 1.00 0.00 C ATOM 1185 CG GLU A 74 -3.324 -18.548 8.441 1.00 0.00 C ATOM 1186 CD GLU A 74 -2.075 -19.140 7.818 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -1.251 -18.366 7.289 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -1.922 -20.379 7.859 1.00 0.00 O ATOM 0 H GLU A 74 -4.071 -16.267 9.526 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.646 -16.428 7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.939 -18.897 7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.773 -17.716 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.044 -17.718 9.089 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.801 -19.298 9.072 1.00 0.00 H new ATOM 1195 N PHE A 75 -7.586 -17.107 8.358 1.00 0.00 N ATOM 1196 CA PHE A 75 -8.784 -17.551 9.032 1.00 0.00 C ATOM 1197 C PHE A 75 -9.104 -19.001 8.668 1.00 0.00 C ATOM 1198 O PHE A 75 -8.582 -19.525 7.689 1.00 0.00 O ATOM 1199 CB PHE A 75 -9.941 -16.638 8.642 1.00 0.00 C ATOM 1200 CG PHE A 75 -9.988 -15.351 9.416 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -10.595 -15.295 10.661 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -9.427 -14.196 8.893 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -10.639 -14.110 11.371 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -9.469 -13.009 9.599 1.00 0.00 C ATOM 1205 CZ PHE A 75 -10.075 -12.966 10.840 1.00 0.00 C ATOM 0 H PHE A 75 -7.761 -16.472 7.579 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.628 -17.504 10.110 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.868 -16.409 7.579 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.879 -17.173 8.789 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -11.038 -16.186 11.080 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.952 -14.224 7.923 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.114 -14.078 12.340 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.029 -12.116 9.181 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.108 -12.040 11.394 1.00 0.00 H new ATOM 1215 N PRO A 76 -9.972 -19.665 9.455 1.00 0.00 N ATOM 1216 CA PRO A 76 -10.385 -21.051 9.230 1.00 0.00 C ATOM 1217 C PRO A 76 -10.612 -21.356 7.754 1.00 0.00 C ATOM 1218 O PRO A 76 -11.734 -21.271 7.256 1.00 0.00 O ATOM 1219 CB PRO A 76 -11.705 -21.168 10.016 1.00 0.00 C ATOM 1220 CG PRO A 76 -11.969 -19.801 10.570 1.00 0.00 C ATOM 1221 CD PRO A 76 -10.639 -19.114 10.622 1.00 0.00 C ATOM 0 HA PRO A 76 -9.621 -21.759 9.551 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.519 -21.492 9.368 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -11.621 -21.905 10.815 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.668 -19.252 9.938 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.416 -19.862 11.562 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.737 -18.030 10.563 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.100 -19.336 11.543 1.00 0.00 H new ATOM 1229 N ASP A 77 -9.519 -21.696 7.075 1.00 0.00 N ATOM 1230 CA ASP A 77 -9.515 -22.019 5.639 1.00 0.00 C ATOM 1231 C ASP A 77 -9.083 -20.807 4.820 1.00 0.00 C ATOM 1232 O ASP A 77 -8.523 -20.946 3.731 1.00 0.00 O ATOM 1233 CB ASP A 77 -10.883 -22.519 5.153 1.00 0.00 C ATOM 1234 CG ASP A 77 -11.426 -23.647 6.009 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -10.718 -24.662 6.174 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -12.561 -23.514 6.514 1.00 0.00 O ATOM 0 H ASP A 77 -8.597 -21.757 7.506 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.798 -22.827 5.496 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.591 -21.691 5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.796 -22.859 4.121 1.00 0.00 H new ATOM 1241 N ARG A 78 -9.334 -19.622 5.360 1.00 0.00 N ATOM 1242 CA ARG A 78 -8.964 -18.377 4.702 1.00 0.00 C ATOM 1243 C ARG A 78 -7.468 -18.113 4.850 1.00 0.00 C ATOM 1244 O ARG A 78 -6.845 -18.529 5.825 1.00 0.00 O ATOM 1245 CB ARG A 78 -9.765 -17.204 5.263 1.00 0.00 C ATOM 1246 CG ARG A 78 -10.100 -16.152 4.217 1.00 0.00 C ATOM 1247 CD ARG A 78 -11.601 -16.019 4.015 1.00 0.00 C ATOM 1248 NE ARG A 78 -11.994 -14.643 3.719 1.00 0.00 N ATOM 1249 CZ ARG A 78 -11.679 -14.009 2.592 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -10.968 -14.621 1.654 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -12.076 -12.758 2.403 1.00 0.00 N ATOM 0 H ARG A 78 -9.797 -19.497 6.260 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.197 -18.476 3.642 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.690 -17.580 5.700 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.198 -16.738 6.069 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.687 -15.191 4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.627 -16.416 3.271 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.916 -16.669 3.199 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.119 -16.359 4.912 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.542 -14.139 4.417 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.659 -15.583 1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.730 -14.130 0.793 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.622 -12.282 3.121 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.835 -12.271 1.540 1.00 0.00 H new ATOM 1265 N HIS A 79 -6.910 -17.393 3.886 1.00 0.00 N ATOM 1266 CA HIS A 79 -5.503 -17.032 3.902 1.00 0.00 C ATOM 1267 C HIS A 79 -5.313 -15.658 3.262 1.00 0.00 C ATOM 1268 O HIS A 79 -5.479 -15.508 2.054 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.670 -18.084 3.166 1.00 0.00 C ATOM 1270 CG HIS A 79 -3.209 -17.759 3.104 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -2.318 -18.442 2.303 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -2.483 -16.815 3.750 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -1.109 -17.933 2.459 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -1.182 -16.945 3.331 1.00 0.00 N ATOM 0 H HIS A 79 -7.420 -17.045 3.074 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.162 -16.991 4.937 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.798 -19.047 3.660 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.052 -18.193 2.151 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -2.858 -16.094 4.462 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.213 -18.268 1.958 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -0.399 -16.371 3.643 1.00 0.00 H new ATOM 1283 N ILE A 80 -4.958 -14.658 4.058 1.00 0.00 N ATOM 1284 CA ILE A 80 -4.745 -13.325 3.536 1.00 0.00 C ATOM 1285 C ILE A 80 -3.355 -12.838 3.923 1.00 0.00 C ATOM 1286 O ILE A 80 -2.906 -13.054 5.049 1.00 0.00 O ATOM 1287 CB ILE A 80 -5.808 -12.337 4.055 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.480 -10.927 3.587 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -5.889 -12.384 5.570 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.699 -10.059 3.363 1.00 0.00 C ATOM 0 H ILE A 80 -4.813 -14.749 5.064 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.832 -13.370 2.450 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.778 -12.627 3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.836 -10.450 4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.911 -10.985 2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.645 -11.679 5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.158 -13.391 5.889 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.922 -12.116 5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.385 -9.069 3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.334 -10.513 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.257 -9.969 4.295 1.00 0.00 H new ATOM 1302 N THR A 81 -2.671 -12.195 2.988 1.00 0.00 N ATOM 1303 CA THR A 81 -1.335 -11.699 3.238 1.00 0.00 C ATOM 1304 C THR A 81 -1.192 -10.269 2.729 1.00 0.00 C ATOM 1305 O THR A 81 -1.334 -10.013 1.535 1.00 0.00 O ATOM 1306 CB THR A 81 -0.328 -12.603 2.530 1.00 0.00 C ATOM 1307 OG1 THR A 81 -0.983 -13.478 1.629 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.486 -13.455 3.469 1.00 0.00 C ATOM 0 H THR A 81 -3.024 -12.007 2.050 1.00 0.00 H new ATOM 0 HA THR A 81 -1.147 -11.703 4.312 1.00 0.00 H new ATOM 0 HB THR A 81 0.344 -11.920 2.010 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.473 -14.311 1.553 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.179 -14.070 2.894 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.048 -12.813 4.148 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.179 -14.099 4.045 1.00 0.00 H new ATOM 1316 N LEU A 82 -0.909 -9.340 3.634 1.00 0.00 N ATOM 1317 CA LEU A 82 -0.751 -7.942 3.255 1.00 0.00 C ATOM 1318 C LEU A 82 0.673 -7.465 3.513 1.00 0.00 C ATOM 1319 O LEU A 82 1.110 -7.386 4.654 1.00 0.00 O ATOM 1320 CB LEU A 82 -1.744 -7.069 4.028 1.00 0.00 C ATOM 1321 CG LEU A 82 -2.994 -6.663 3.246 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -4.118 -6.281 4.196 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -2.680 -5.515 2.299 1.00 0.00 C ATOM 0 H LEU A 82 -0.785 -9.528 4.629 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.954 -7.855 2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.053 -7.605 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.231 -6.166 4.357 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.322 -7.517 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.999 -5.995 3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.361 -7.131 4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.801 -5.442 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.581 -5.239 1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.327 -4.657 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.907 -5.825 1.595 1.00 0.00 H new ATOM 1335 N TRP A 83 1.398 -7.142 2.451 1.00 0.00 N ATOM 1336 CA TRP A 83 2.771 -6.672 2.593 1.00 0.00 C ATOM 1337 C TRP A 83 2.850 -5.164 2.415 1.00 0.00 C ATOM 1338 O TRP A 83 2.455 -4.629 1.379 1.00 0.00 O ATOM 1339 CB TRP A 83 3.682 -7.364 1.580 1.00 0.00 C ATOM 1340 CG TRP A 83 3.846 -8.826 1.847 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.895 -9.675 2.330 1.00 0.00 C ATOM 1342 CD2 TRP A 83 5.028 -9.610 1.656 1.00 0.00 C ATOM 1343 NE1 TRP A 83 3.409 -10.941 2.446 1.00 0.00 N ATOM 1344 CE2 TRP A 83 4.718 -10.929 2.039 1.00 0.00 C ATOM 1345 CE3 TRP A 83 6.317 -9.327 1.196 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 5.651 -11.961 1.977 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 7.241 -10.353 1.134 1.00 0.00 C ATOM 1348 CH2 TRP A 83 6.904 -11.655 1.523 1.00 0.00 C ATOM 0 H TRP A 83 1.063 -7.196 1.489 1.00 0.00 H new ATOM 0 HA TRP A 83 3.108 -6.920 3.599 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.274 -7.226 0.579 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.661 -6.885 1.594 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.884 -9.392 2.584 1.00 0.00 H new ATOM 0 HE1 TRP A 83 2.900 -11.759 2.781 1.00 0.00 H new ATOM 0 HE3 TRP A 83 6.586 -8.325 0.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.394 -12.966 2.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.240 -10.147 0.779 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.649 -12.434 1.463 1.00 0.00 H new ATOM 1359 N PHE A 84 3.371 -4.482 3.428 1.00 0.00 N ATOM 1360 CA PHE A 84 3.505 -3.033 3.369 1.00 0.00 C ATOM 1361 C PHE A 84 4.941 -2.650 3.001 1.00 0.00 C ATOM 1362 O PHE A 84 5.887 -3.029 3.692 1.00 0.00 O ATOM 1363 CB PHE A 84 3.100 -2.383 4.702 1.00 0.00 C ATOM 1364 CG PHE A 84 1.610 -2.335 4.943 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.787 -3.362 4.506 1.00 0.00 C ATOM 1366 CD2 PHE A 84 1.033 -1.261 5.611 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.577 -3.320 4.729 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.331 -1.217 5.835 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.136 -2.247 5.392 1.00 0.00 C ATOM 0 H PHE A 84 3.705 -4.906 4.294 1.00 0.00 H new ATOM 0 HA PHE A 84 2.831 -2.661 2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.571 -2.931 5.518 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.494 -1.367 4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.217 -4.205 3.985 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.657 -0.451 5.959 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.205 -4.128 4.384 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.766 -0.377 6.356 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.202 -2.213 5.564 1.00 0.00 H new ATOM 1379 N TRP A 85 5.100 -1.901 1.909 1.00 0.00 N ATOM 1380 CA TRP A 85 6.423 -1.473 1.455 1.00 0.00 C ATOM 1381 C TRP A 85 6.702 -0.035 1.888 1.00 0.00 C ATOM 1382 O TRP A 85 5.954 0.876 1.532 1.00 0.00 O ATOM 1383 CB TRP A 85 6.527 -1.597 -0.066 1.00 0.00 C ATOM 1384 CG TRP A 85 6.348 -3.002 -0.555 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.178 -3.595 -0.933 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.370 -3.993 -0.713 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.409 -4.894 -1.316 1.00 0.00 N ATOM 1388 CE2 TRP A 85 6.747 -5.162 -1.190 1.00 0.00 C ATOM 1389 CE3 TRP A 85 8.751 -4.006 -0.500 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.459 -6.329 -1.456 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.456 -5.165 -0.763 1.00 0.00 C ATOM 1392 CH2 TRP A 85 8.809 -6.312 -1.237 1.00 0.00 C ATOM 0 H TRP A 85 4.330 -1.579 1.323 1.00 0.00 H new ATOM 0 HA TRP A 85 7.170 -2.122 1.913 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.774 -0.959 -0.529 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.500 -1.227 -0.389 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.211 -3.113 -0.931 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.700 -5.552 -1.641 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.259 -3.125 -0.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 6.963 -7.216 -1.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.523 -5.186 -0.600 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.388 -7.202 -1.434 1.00 0.00 H new ATOM 1403 N LEU A 86 7.741 0.168 2.703 1.00 0.00 N ATOM 1404 CA LEU A 86 8.019 1.513 3.204 1.00 0.00 C ATOM 1405 C LEU A 86 8.770 2.387 2.194 1.00 0.00 C ATOM 1406 O LEU A 86 9.991 2.326 2.067 1.00 0.00 O ATOM 1407 CB LEU A 86 8.819 1.427 4.510 1.00 0.00 C ATOM 1408 CG LEU A 86 9.134 2.769 5.183 1.00 0.00 C ATOM 1409 CD1 LEU A 86 10.328 3.435 4.518 1.00 0.00 C ATOM 1410 CD2 LEU A 86 7.922 3.689 5.150 1.00 0.00 C ATOM 0 H LEU A 86 8.384 -0.557 3.021 1.00 0.00 H new ATOM 0 HA LEU A 86 7.055 1.989 3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.264 0.809 5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.759 0.913 4.307 1.00 0.00 H new ATOM 0 HG LEU A 86 9.385 2.574 6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.535 4.385 5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.200 2.786 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.106 3.612 3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.170 4.634 5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.634 3.875 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.093 3.218 5.678 1.00 0.00 H new ATOM 1422 N VAL A 87 7.994 3.207 1.497 1.00 0.00 N ATOM 1423 CA VAL A 87 8.498 4.132 0.478 1.00 0.00 C ATOM 1424 C VAL A 87 9.245 5.288 1.091 1.00 0.00 C ATOM 1425 O VAL A 87 8.912 5.736 2.188 1.00 0.00 O ATOM 1426 CB VAL A 87 7.365 4.703 -0.363 1.00 0.00 C ATOM 1427 CG1 VAL A 87 7.899 5.453 -1.572 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.424 3.587 -0.776 1.00 0.00 C ATOM 0 H VAL A 87 6.983 3.252 1.622 1.00 0.00 H new ATOM 0 HA VAL A 87 9.173 3.549 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 87 6.810 5.423 0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.065 5.849 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.532 6.275 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.483 4.774 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.614 3.998 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.971 2.847 -1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.010 3.112 0.114 1.00 0.00 H new ATOM 1438 N GLU A 88 10.268 5.762 0.395 1.00 0.00 N ATOM 1439 CA GLU A 88 11.050 6.866 0.919 1.00 0.00 C ATOM 1440 C GLU A 88 10.931 8.162 0.101 1.00 0.00 C ATOM 1441 O GLU A 88 11.058 9.249 0.666 1.00 0.00 O ATOM 1442 CB GLU A 88 12.519 6.459 1.045 1.00 0.00 C ATOM 1443 CG GLU A 88 13.411 7.554 1.608 1.00 0.00 C ATOM 1444 CD GLU A 88 14.789 7.047 1.987 1.00 0.00 C ATOM 1445 OE1 GLU A 88 15.187 5.978 1.481 1.00 0.00 O ATOM 1446 OE2 GLU A 88 15.468 7.721 2.790 1.00 0.00 O ATOM 0 H GLU A 88 10.569 5.408 -0.513 1.00 0.00 H new ATOM 0 HA GLU A 88 10.633 7.089 1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.590 5.580 1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.892 6.168 0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.511 8.351 0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.934 7.990 2.486 1.00 0.00 H new ATOM 1453 N ARG A 89 10.715 8.075 -1.213 1.00 0.00 N ATOM 1454 CA ARG A 89 10.621 9.290 -2.024 1.00 0.00 C ATOM 1455 C ARG A 89 9.974 9.016 -3.379 1.00 0.00 C ATOM 1456 O ARG A 89 9.870 7.866 -3.805 1.00 0.00 O ATOM 1457 CB ARG A 89 12.023 9.916 -2.177 1.00 0.00 C ATOM 1458 CG ARG A 89 12.413 10.330 -3.596 1.00 0.00 C ATOM 1459 CD ARG A 89 11.997 11.762 -3.898 1.00 0.00 C ATOM 1460 NE ARG A 89 13.119 12.569 -4.373 1.00 0.00 N ATOM 1461 CZ ARG A 89 13.637 12.471 -5.595 1.00 0.00 C ATOM 1462 NH1 ARG A 89 13.142 11.601 -6.466 1.00 0.00 N ATOM 1463 NH2 ARG A 89 14.654 13.246 -5.947 1.00 0.00 N ATOM 0 H ARG A 89 10.604 7.201 -1.727 1.00 0.00 H new ATOM 0 HA ARG A 89 9.973 10.003 -1.513 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.081 10.794 -1.533 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.761 9.203 -1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.491 10.230 -3.721 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.945 9.656 -4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.208 11.759 -4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.579 12.215 -2.999 1.00 0.00 H new ATOM 0 HE ARG A 89 13.529 13.247 -3.731 1.00 0.00 H new ATOM 0 HH11 ARG A 89 12.360 11.002 -6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 89 13.544 11.531 -7.401 1.00 0.00 H new ATOM 0 HH21 ARG A 89 15.039 13.916 -5.281 1.00 0.00 H new ATOM 0 HH22 ARG A 89 15.052 13.172 -6.883 1.00 0.00 H new ATOM 1477 N TRP A 90 9.563 10.084 -4.063 1.00 0.00 N ATOM 1478 CA TRP A 90 8.955 9.955 -5.381 1.00 0.00 C ATOM 1479 C TRP A 90 9.216 11.193 -6.238 1.00 0.00 C ATOM 1480 O TRP A 90 8.936 12.318 -5.822 1.00 0.00 O ATOM 1481 CB TRP A 90 7.450 9.673 -5.263 1.00 0.00 C ATOM 1482 CG TRP A 90 6.597 10.892 -5.097 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.280 11.811 -6.056 1.00 0.00 C ATOM 1484 CD2 TRP A 90 5.936 11.314 -3.902 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.464 12.781 -5.528 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.237 12.497 -4.207 1.00 0.00 C ATOM 1487 CE3 TRP A 90 5.869 10.806 -2.603 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.479 13.178 -3.260 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 5.116 11.482 -1.663 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.429 12.658 -1.995 1.00 0.00 C ATOM 0 H TRP A 90 9.641 11.043 -3.725 1.00 0.00 H new ATOM 0 HA TRP A 90 9.421 9.105 -5.881 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.124 9.136 -6.154 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.284 9.011 -4.413 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.621 11.780 -7.080 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.088 13.582 -6.036 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.396 9.901 -2.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 3.949 14.084 -3.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.055 11.098 -0.655 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.849 13.164 -1.237 1.00 0.00 H new ATOM 1501 N GLU A 91 9.763 10.977 -7.436 1.00 0.00 N ATOM 1502 CA GLU A 91 10.065 12.077 -8.345 1.00 0.00 C ATOM 1503 C GLU A 91 8.803 12.567 -9.048 1.00 0.00 C ATOM 1504 O GLU A 91 7.903 11.784 -9.349 1.00 0.00 O ATOM 1505 CB GLU A 91 11.102 11.639 -9.381 1.00 0.00 C ATOM 1506 CG GLU A 91 11.602 12.773 -10.259 1.00 0.00 C ATOM 1507 CD GLU A 91 12.907 13.363 -9.761 1.00 0.00 C ATOM 1508 OE1 GLU A 91 12.876 14.122 -8.770 1.00 0.00 O ATOM 1509 OE2 GLU A 91 13.961 13.067 -10.362 1.00 0.00 O ATOM 0 H GLU A 91 10.004 10.053 -7.795 1.00 0.00 H new ATOM 0 HA GLU A 91 10.472 12.899 -7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.950 11.189 -8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.667 10.866 -10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.738 12.407 -11.277 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.845 13.557 -10.300 1.00 0.00 H new ATOM 1516 N GLY A 92 8.745 13.871 -9.305 1.00 0.00 N ATOM 1517 CA GLY A 92 7.590 14.445 -9.971 1.00 0.00 C ATOM 1518 C GLY A 92 6.301 14.194 -9.215 1.00 0.00 C ATOM 1519 O GLY A 92 6.224 14.430 -8.009 1.00 0.00 O ATOM 0 H GLY A 92 9.477 14.539 -9.064 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.737 15.519 -10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.507 14.026 -10.974 1.00 0.00 H new ATOM 1523 N GLU A 93 5.286 13.712 -9.925 1.00 0.00 N ATOM 1524 CA GLU A 93 3.993 13.427 -9.314 1.00 0.00 C ATOM 1525 C GLU A 93 3.645 11.946 -9.455 1.00 0.00 C ATOM 1526 O GLU A 93 3.833 11.361 -10.522 1.00 0.00 O ATOM 1527 CB GLU A 93 2.902 14.283 -9.958 1.00 0.00 C ATOM 1528 CG GLU A 93 2.812 15.686 -9.382 1.00 0.00 C ATOM 1529 CD GLU A 93 1.380 16.157 -9.218 1.00 0.00 C ATOM 1530 OE1 GLU A 93 0.620 15.500 -8.475 1.00 0.00 O ATOM 1531 OE2 GLU A 93 1.018 17.183 -9.832 1.00 0.00 O ATOM 0 H GLU A 93 5.334 13.511 -10.924 1.00 0.00 H new ATOM 0 HA GLU A 93 4.055 13.670 -8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.090 14.350 -11.030 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.940 13.785 -9.833 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.312 15.710 -8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.346 16.378 -10.034 1.00 0.00 H new ATOM 1538 N PRO A 94 3.120 11.317 -8.385 1.00 0.00 N ATOM 1539 CA PRO A 94 2.740 9.904 -8.404 1.00 0.00 C ATOM 1540 C PRO A 94 1.436 9.692 -9.155 1.00 0.00 C ATOM 1541 O PRO A 94 0.445 10.370 -8.886 1.00 0.00 O ATOM 1542 CB PRO A 94 2.568 9.547 -6.916 1.00 0.00 C ATOM 1543 CG PRO A 94 3.011 10.755 -6.153 1.00 0.00 C ATOM 1544 CD PRO A 94 2.837 11.918 -7.082 1.00 0.00 C ATOM 0 HA PRO A 94 3.480 9.284 -8.910 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.530 9.301 -6.690 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.167 8.676 -6.651 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.416 10.885 -5.249 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.050 10.659 -5.839 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.829 12.330 -7.034 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.525 12.731 -6.850 1.00 0.00 H new ATOM 1552 N TRP A 95 1.432 8.761 -10.104 1.00 0.00 N ATOM 1553 CA TRP A 95 0.227 8.505 -10.877 1.00 0.00 C ATOM 1554 C TRP A 95 -0.113 7.024 -10.954 1.00 0.00 C ATOM 1555 O TRP A 95 -1.167 6.595 -10.484 1.00 0.00 O ATOM 1556 CB TRP A 95 0.352 9.075 -12.294 1.00 0.00 C ATOM 1557 CG TRP A 95 1.621 8.709 -13.023 1.00 0.00 C ATOM 1558 CD1 TRP A 95 2.800 9.393 -13.001 1.00 0.00 C ATOM 1559 CD2 TRP A 95 1.831 7.586 -13.899 1.00 0.00 C ATOM 1560 NE1 TRP A 95 3.724 8.783 -13.821 1.00 0.00 N ATOM 1561 CE2 TRP A 95 3.152 7.674 -14.383 1.00 0.00 C ATOM 1562 CE3 TRP A 95 1.033 6.518 -14.322 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 3.685 6.743 -15.272 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 1.565 5.593 -15.200 1.00 0.00 C ATOM 1565 CH2 TRP A 95 2.878 5.713 -15.670 1.00 0.00 C ATOM 0 H TRP A 95 2.235 8.182 -10.351 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.585 9.008 -10.352 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.499 8.732 -12.883 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.284 10.161 -12.239 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.984 10.286 -12.423 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.678 9.105 -13.983 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.018 6.418 -13.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.699 6.831 -15.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.957 4.763 -15.529 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.262 4.977 -16.361 1.00 0.00 H new ATOM 1576 N GLY A 96 0.775 6.254 -11.565 1.00 0.00 N ATOM 1577 CA GLY A 96 0.550 4.826 -11.720 1.00 0.00 C ATOM 1578 C GLY A 96 -0.878 4.489 -12.113 1.00 0.00 C ATOM 1579 O GLY A 96 -1.249 4.587 -13.282 1.00 0.00 O ATOM 0 H GLY A 96 1.653 6.592 -11.959 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.231 4.437 -12.477 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.792 4.322 -10.784 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.679 4.092 -11.125 1.00 0.00 N ATOM 1584 CA LYS A 97 -3.078 3.735 -11.354 1.00 0.00 C ATOM 1585 C LYS A 97 -3.683 3.089 -10.106 1.00 0.00 C ATOM 1586 O LYS A 97 -4.428 2.112 -10.199 1.00 0.00 O ATOM 1587 CB LYS A 97 -3.206 2.787 -12.554 1.00 0.00 C ATOM 1588 CG LYS A 97 -4.081 3.336 -13.669 1.00 0.00 C ATOM 1589 CD LYS A 97 -4.944 2.248 -14.287 1.00 0.00 C ATOM 1590 CE LYS A 97 -6.151 1.935 -13.418 1.00 0.00 C ATOM 1591 NZ LYS A 97 -6.469 0.480 -13.413 1.00 0.00 N ATOM 0 H LYS A 97 -1.381 4.009 -10.153 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.628 4.650 -11.573 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.212 2.580 -12.951 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.618 1.837 -12.214 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.718 4.128 -13.276 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.453 3.785 -14.439 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.278 2.564 -15.275 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.350 1.345 -14.425 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.960 2.268 -12.398 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.014 2.494 -13.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.298 0.308 -12.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.676 0.167 -14.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.655 -0.052 -13.044 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.357 3.640 -8.941 1.00 0.00 N ATOM 1606 CA GLU A 98 -3.866 3.118 -7.675 1.00 0.00 C ATOM 1607 C GLU A 98 -5.355 3.418 -7.517 1.00 0.00 C ATOM 1608 O GLU A 98 -6.141 2.528 -7.193 1.00 0.00 O ATOM 1609 CB GLU A 98 -3.085 3.713 -6.502 1.00 0.00 C ATOM 1610 CG GLU A 98 -3.172 5.228 -6.415 1.00 0.00 C ATOM 1611 CD GLU A 98 -2.288 5.801 -5.324 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -2.457 5.401 -4.153 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -1.427 6.648 -5.641 1.00 0.00 O ATOM 0 H GLU A 98 -2.742 4.448 -8.846 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.733 2.036 -7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.459 3.283 -5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.038 3.423 -6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.886 5.660 -7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.206 5.519 -6.230 1.00 0.00 H new ATOM 1620 N GLY A 99 -5.738 4.673 -7.745 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.135 5.049 -7.617 1.00 0.00 C ATOM 1622 C GLY A 99 -7.355 6.550 -7.641 1.00 0.00 C ATOM 1623 O GLY A 99 -6.906 7.239 -8.558 1.00 0.00 O ATOM 0 H GLY A 99 -5.110 5.431 -8.014 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.703 4.592 -8.427 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.529 4.645 -6.684 1.00 0.00 H new ATOM 1627 N GLN A 100 -8.060 7.053 -6.632 1.00 0.00 N ATOM 1628 CA GLN A 100 -8.364 8.479 -6.531 1.00 0.00 C ATOM 1629 C GLN A 100 -7.158 9.283 -6.072 1.00 0.00 C ATOM 1630 O GLN A 100 -6.478 8.924 -5.114 1.00 0.00 O ATOM 1631 CB GLN A 100 -9.533 8.704 -5.571 1.00 0.00 C ATOM 1632 CG GLN A 100 -10.661 7.695 -5.734 1.00 0.00 C ATOM 1633 CD GLN A 100 -10.573 6.557 -4.735 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -10.274 6.768 -3.560 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -10.833 5.341 -5.202 1.00 0.00 N ATOM 0 H GLN A 100 -8.434 6.491 -5.867 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.638 8.826 -7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.164 8.661 -4.546 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.930 9.707 -5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.618 8.203 -5.617 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.637 7.289 -6.745 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.077 5.213 -6.184 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.789 4.535 -4.578 1.00 0.00 H new ATOM 1644 N PRO A 101 -6.888 10.400 -6.763 1.00 0.00 N ATOM 1645 CA PRO A 101 -5.768 11.289 -6.447 1.00 0.00 C ATOM 1646 C PRO A 101 -5.616 11.554 -4.949 1.00 0.00 C ATOM 1647 O PRO A 101 -6.602 11.613 -4.214 1.00 0.00 O ATOM 1648 CB PRO A 101 -6.171 12.565 -7.173 1.00 0.00 C ATOM 1649 CG PRO A 101 -6.876 12.083 -8.384 1.00 0.00 C ATOM 1650 CD PRO A 101 -7.662 10.891 -7.925 1.00 0.00 C ATOM 0 HA PRO A 101 -4.806 10.871 -6.744 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.819 13.188 -6.556 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.301 13.169 -7.432 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.530 12.853 -8.793 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.171 11.812 -9.170 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.679 11.164 -7.644 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.739 10.135 -8.706 1.00 0.00 H new ATOM 1658 N GLY A 102 -4.371 11.712 -4.510 1.00 0.00 N ATOM 1659 CA GLY A 102 -4.094 11.970 -3.106 1.00 0.00 C ATOM 1660 C GLY A 102 -3.178 13.165 -2.901 1.00 0.00 C ATOM 1661 O GLY A 102 -2.720 13.776 -3.867 1.00 0.00 O ATOM 0 H GLY A 102 -3.544 11.666 -5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.033 12.142 -2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.637 11.086 -2.661 1.00 0.00 H new ATOM 1665 N GLU A 103 -2.912 13.503 -1.642 1.00 0.00 N ATOM 1666 CA GLU A 103 -2.045 14.636 -1.322 1.00 0.00 C ATOM 1667 C GLU A 103 -1.022 14.257 -0.251 1.00 0.00 C ATOM 1668 O GLU A 103 -1.276 13.388 0.583 1.00 0.00 O ATOM 1669 CB GLU A 103 -2.882 15.828 -0.850 1.00 0.00 C ATOM 1670 CG GLU A 103 -3.066 16.899 -1.913 1.00 0.00 C ATOM 1671 CD GLU A 103 -4.244 16.620 -2.825 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -4.693 15.455 -2.875 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -4.718 17.565 -3.490 1.00 0.00 O ATOM 0 H GLU A 103 -3.282 13.011 -0.829 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.506 14.916 -2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.862 15.471 -0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.406 16.273 0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -3.207 17.865 -1.429 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.158 16.972 -2.511 1.00 0.00 H new ATOM 1680 N TRP A 104 0.134 14.919 -0.278 1.00 0.00 N ATOM 1681 CA TRP A 104 1.194 14.646 0.697 1.00 0.00 C ATOM 1682 C TRP A 104 0.722 14.987 2.109 1.00 0.00 C ATOM 1683 O TRP A 104 0.592 16.158 2.465 1.00 0.00 O ATOM 1684 CB TRP A 104 2.482 15.432 0.369 1.00 0.00 C ATOM 1685 CG TRP A 104 2.316 16.485 -0.688 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.639 16.373 -2.009 1.00 0.00 C ATOM 1687 CD2 TRP A 104 1.788 17.806 -0.514 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.345 17.541 -2.669 1.00 0.00 N ATOM 1689 CE2 TRP A 104 1.822 18.437 -1.773 1.00 0.00 C ATOM 1690 CE3 TRP A 104 1.291 18.517 0.582 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 1.376 19.742 -1.964 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 0.848 19.812 0.390 1.00 0.00 C ATOM 1693 CH2 TRP A 104 0.893 20.413 -0.874 1.00 0.00 C ATOM 0 H TRP A 104 0.362 15.644 -0.959 1.00 0.00 H new ATOM 0 HA TRP A 104 1.423 13.582 0.643 1.00 0.00 H new ATOM 0 HB2 TRP A 104 2.846 15.905 1.281 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.250 14.729 0.046 1.00 0.00 H new ATOM 0 HD1 TRP A 104 3.064 15.493 -2.469 1.00 0.00 H new ATOM 0 HE1 TRP A 104 2.492 17.714 -3.664 1.00 0.00 H new ATOM 0 HE3 TRP A 104 1.254 18.063 1.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 1.410 20.208 -2.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 0.460 20.370 1.229 1.00 0.00 H new ATOM 0 HH2 TRP A 104 0.539 21.427 -0.991 1.00 0.00 H new ATOM 1704 N MET A 105 0.467 13.954 2.908 1.00 0.00 N ATOM 1705 CA MET A 105 0.009 14.143 4.282 1.00 0.00 C ATOM 1706 C MET A 105 0.987 13.527 5.281 1.00 0.00 C ATOM 1707 O MET A 105 1.829 12.707 4.916 1.00 0.00 O ATOM 1708 CB MET A 105 -1.387 13.541 4.467 1.00 0.00 C ATOM 1709 CG MET A 105 -1.403 12.021 4.510 1.00 0.00 C ATOM 1710 SD MET A 105 -1.510 11.377 6.191 1.00 0.00 S ATOM 1711 CE MET A 105 -3.228 11.710 6.571 1.00 0.00 C ATOM 0 H MET A 105 0.570 12.978 2.628 1.00 0.00 H new ATOM 0 HA MET A 105 -0.040 15.215 4.474 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.818 13.925 5.392 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.028 13.878 3.652 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.249 11.654 3.929 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.500 11.638 4.035 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.303 12.140 7.570 1.00 0.00 H new ATOM 0 HE2 MET A 105 -3.632 12.413 5.842 1.00 0.00 H new ATOM 0 HE3 MET A 105 -3.796 10.780 6.533 1.00 0.00 H new ATOM 1721 N SER A 106 0.865 13.925 6.544 1.00 0.00 N ATOM 1722 CA SER A 106 1.734 13.410 7.597 1.00 0.00 C ATOM 1723 C SER A 106 1.250 12.046 8.084 1.00 0.00 C ATOM 1724 O SER A 106 0.118 11.907 8.547 1.00 0.00 O ATOM 1725 CB SER A 106 1.791 14.392 8.768 1.00 0.00 C ATOM 1726 OG SER A 106 3.089 14.440 9.332 1.00 0.00 O ATOM 0 H SER A 106 0.173 14.603 6.863 1.00 0.00 H new ATOM 0 HA SER A 106 2.735 13.294 7.182 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.503 15.386 8.427 1.00 0.00 H new ATOM 0 HB3 SER A 106 1.071 14.095 9.531 1.00 0.00 H new ATOM 0 HG SER A 106 3.099 15.076 10.077 1.00 0.00 H new ATOM 1732 N LEU A 107 2.115 11.043 7.973 1.00 0.00 N ATOM 1733 CA LEU A 107 1.778 9.685 8.396 1.00 0.00 C ATOM 1734 C LEU A 107 1.669 9.581 9.918 1.00 0.00 C ATOM 1735 O LEU A 107 1.083 8.633 10.442 1.00 0.00 O ATOM 1736 CB LEU A 107 2.824 8.695 7.878 1.00 0.00 C ATOM 1737 CG LEU A 107 2.294 7.294 7.561 1.00 0.00 C ATOM 1738 CD1 LEU A 107 1.902 6.570 8.839 1.00 0.00 C ATOM 1739 CD2 LEU A 107 1.113 7.370 6.605 1.00 0.00 C ATOM 0 H LEU A 107 3.056 11.144 7.593 1.00 0.00 H new ATOM 0 HA LEU A 107 0.805 9.438 7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.276 9.108 6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.617 8.607 8.621 1.00 0.00 H new ATOM 0 HG LEU A 107 3.090 6.729 7.076 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.528 5.576 8.594 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.773 6.480 9.488 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.124 7.134 9.353 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.751 6.364 6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.313 7.954 7.060 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.427 7.846 5.676 1.00 0.00 H new ATOM 1751 N VAL A 108 2.240 10.554 10.623 1.00 0.00 N ATOM 1752 CA VAL A 108 2.212 10.568 12.084 1.00 0.00 C ATOM 1753 C VAL A 108 0.786 10.495 12.637 1.00 0.00 C ATOM 1754 O VAL A 108 0.589 10.240 13.824 1.00 0.00 O ATOM 1755 CB VAL A 108 2.903 11.828 12.641 1.00 0.00 C ATOM 1756 CG1 VAL A 108 2.168 13.084 12.199 1.00 0.00 C ATOM 1757 CG2 VAL A 108 2.996 11.761 14.160 1.00 0.00 C ATOM 0 H VAL A 108 2.729 11.346 10.205 1.00 0.00 H new ATOM 0 HA VAL A 108 2.754 9.680 12.408 1.00 0.00 H new ATOM 0 HB VAL A 108 3.916 11.870 12.240 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.672 13.962 12.603 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.162 13.138 11.110 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.142 13.054 12.566 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.487 12.659 14.534 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.994 11.692 14.583 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.574 10.884 14.451 1.00 0.00 H new ATOM 1767 N GLY A 109 -0.207 10.717 11.778 1.00 0.00 N ATOM 1768 CA GLY A 109 -1.589 10.667 12.213 1.00 0.00 C ATOM 1769 C GLY A 109 -2.450 9.858 11.268 1.00 0.00 C ATOM 1770 O GLY A 109 -3.486 10.323 10.795 1.00 0.00 O ATOM 0 H GLY A 109 -0.077 10.930 10.789 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.640 10.233 13.212 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.983 11.681 12.286 1.00 0.00 H new ATOM 1774 N LEU A 110 -2.005 8.641 10.994 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.714 7.735 10.098 1.00 0.00 C ATOM 1776 C LEU A 110 -4.102 7.404 10.643 1.00 0.00 C ATOM 1777 O LEU A 110 -4.288 7.283 11.854 1.00 0.00 O ATOM 1778 CB LEU A 110 -1.898 6.455 9.935 1.00 0.00 C ATOM 1779 CG LEU A 110 -2.084 5.706 8.617 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -1.993 6.656 7.431 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -1.044 4.604 8.504 1.00 0.00 C ATOM 0 H LEU A 110 -1.146 8.253 11.384 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.839 8.221 9.130 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.842 6.704 10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.151 5.780 10.753 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.078 5.259 8.606 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.129 6.097 6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.770 7.416 7.513 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.015 7.137 7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.179 4.071 7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.046 5.041 8.533 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.160 3.908 9.335 1.00 0.00 H new ATOM 1793 N ASN A 111 -5.079 7.277 9.746 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.449 6.982 10.154 1.00 0.00 C ATOM 1795 C ASN A 111 -6.997 5.720 9.494 1.00 0.00 C ATOM 1796 O ASN A 111 -7.257 5.695 8.292 1.00 0.00 O ATOM 1797 CB ASN A 111 -7.357 8.173 9.838 1.00 0.00 C ATOM 1798 CG ASN A 111 -8.018 8.739 11.079 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -8.259 8.022 12.052 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -8.316 10.033 11.054 1.00 0.00 N ATOM 0 H ASN A 111 -4.948 7.373 8.739 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.433 6.803 11.229 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.772 8.954 9.353 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -8.125 7.863 9.129 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.762 10.469 11.861 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -8.099 10.590 10.228 1.00 0.00 H new ATOM 1807 N ALA A 112 -7.199 4.683 10.305 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.751 3.426 9.818 1.00 0.00 C ATOM 1809 C ALA A 112 -9.241 3.583 9.505 1.00 0.00 C ATOM 1810 O ALA A 112 -9.840 2.744 8.834 1.00 0.00 O ATOM 1811 CB ALA A 112 -7.539 2.311 10.832 1.00 0.00 C ATOM 0 H ALA A 112 -6.988 4.691 11.303 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.227 3.158 8.901 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.960 1.383 10.445 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.472 2.179 11.010 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.033 2.571 11.768 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.839 4.661 10.010 1.00 0.00 N ATOM 1818 CA ASP A 113 -11.255 4.927 9.785 1.00 0.00 C ATOM 1819 C ASP A 113 -11.481 5.514 8.393 1.00 0.00 C ATOM 1820 O ASP A 113 -12.350 5.058 7.650 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.823 5.878 10.852 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.763 6.511 11.737 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -9.978 5.759 12.353 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -10.719 7.756 11.812 1.00 0.00 O ATOM 0 H ASP A 113 -9.363 5.363 10.577 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.781 3.975 9.858 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.389 6.668 10.357 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.525 5.328 11.479 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.695 6.532 8.052 1.00 0.00 N ATOM 1830 CA ASP A 114 -10.811 7.190 6.754 1.00 0.00 C ATOM 1831 C ASP A 114 -10.336 6.284 5.620 1.00 0.00 C ATOM 1832 O ASP A 114 -10.604 6.555 4.450 1.00 0.00 O ATOM 1833 CB ASP A 114 -10.013 8.494 6.744 1.00 0.00 C ATOM 1834 CG ASP A 114 -10.901 9.716 6.619 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -12.078 9.640 7.030 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -10.420 10.751 6.110 1.00 0.00 O ATOM 0 H ASP A 114 -9.971 6.919 8.657 1.00 0.00 H new ATOM 0 HA ASP A 114 -11.866 7.411 6.592 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.428 8.566 7.661 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.305 8.477 5.915 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.626 5.213 5.965 1.00 0.00 N ATOM 1842 CA PHE A 115 -9.121 4.287 4.959 1.00 0.00 C ATOM 1843 C PHE A 115 -9.951 3.002 4.936 1.00 0.00 C ATOM 1844 O PHE A 115 -10.686 2.713 5.879 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.625 4.011 5.206 1.00 0.00 C ATOM 1846 CG PHE A 115 -7.294 2.691 5.845 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -8.064 2.190 6.873 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -6.191 1.965 5.423 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.746 0.991 7.475 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.871 0.766 6.015 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.647 0.278 7.043 1.00 0.00 C ATOM 0 H PHE A 115 -9.389 4.967 6.926 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.218 4.740 3.972 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -7.103 4.071 4.251 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.229 4.807 5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.927 2.744 7.211 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.576 2.345 4.621 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.355 0.611 8.282 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -5.012 0.207 5.674 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.395 -0.662 7.511 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.850 2.217 3.852 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.602 0.965 3.711 1.00 0.00 C ATOM 1863 C PRO A 116 -10.335 -0.003 4.862 1.00 0.00 C ATOM 1864 O PRO A 116 -9.183 -0.277 5.197 1.00 0.00 O ATOM 1865 CB PRO A 116 -10.096 0.376 2.386 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.841 1.118 2.075 1.00 0.00 C ATOM 1867 CD PRO A 116 -9.005 2.481 2.678 1.00 0.00 C ATOM 0 HA PRO A 116 -11.678 1.139 3.725 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.907 -0.694 2.478 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.833 0.502 1.593 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.973 0.608 2.493 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.684 1.184 0.998 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -8.046 2.917 2.959 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.480 3.176 1.985 1.00 0.00 H new ATOM 1875 N PRO A 117 -11.401 -0.540 5.487 1.00 0.00 N ATOM 1876 CA PRO A 117 -11.267 -1.484 6.602 1.00 0.00 C ATOM 1877 C PRO A 117 -10.641 -2.807 6.170 1.00 0.00 C ATOM 1878 O PRO A 117 -10.197 -3.596 7.003 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.709 -1.703 7.067 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.548 -1.368 5.882 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.814 -0.277 5.155 1.00 0.00 C ATOM 0 HA PRO A 117 -10.610 -1.098 7.381 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.869 -2.733 7.386 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.952 -1.064 7.916 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.686 -2.240 5.242 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.540 -1.036 6.187 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.990 -0.321 4.080 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -13.129 0.712 5.489 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.604 -3.041 4.861 1.00 0.00 N ATOM 1890 CA ALA A 118 -10.030 -4.267 4.322 1.00 0.00 C ATOM 1891 C ALA A 118 -8.545 -4.374 4.644 1.00 0.00 C ATOM 1892 O ALA A 118 -7.958 -5.453 4.563 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.252 -4.337 2.818 1.00 0.00 C ATOM 0 H ALA A 118 -10.965 -2.398 4.156 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.535 -5.109 4.795 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -9.818 -5.258 2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.321 -4.322 2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.776 -3.481 2.340 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.937 -3.249 5.004 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.519 -3.218 5.332 1.00 0.00 C ATOM 1901 C ASN A 119 -6.294 -2.815 6.791 1.00 0.00 C ATOM 1902 O ASN A 119 -5.166 -2.534 7.197 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.805 -2.239 4.401 1.00 0.00 C ATOM 1904 CG ASN A 119 -4.816 -2.928 3.481 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -3.740 -3.345 3.908 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -5.178 -3.050 2.209 1.00 0.00 N ATOM 0 H ASN A 119 -8.406 -2.346 5.076 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.111 -4.220 5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.544 -1.708 3.802 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -5.282 -1.492 4.997 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -4.554 -3.504 1.542 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -6.080 -2.689 1.899 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.374 -2.783 7.572 1.00 0.00 N ATOM 1914 CA GLU A 120 -7.294 -2.407 8.983 1.00 0.00 C ATOM 1915 C GLU A 120 -6.375 -3.337 9.781 1.00 0.00 C ATOM 1916 O GLU A 120 -5.707 -2.892 10.704 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.691 -2.388 9.609 1.00 0.00 C ATOM 1918 CG GLU A 120 -9.048 -1.059 10.253 1.00 0.00 C ATOM 1919 CD GLU A 120 -9.983 -1.218 11.436 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -10.836 -2.129 11.401 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -9.861 -0.430 12.398 1.00 0.00 O ATOM 0 H GLU A 120 -8.314 -3.013 7.251 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.863 -1.407 9.024 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.428 -2.620 8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.755 -3.175 10.360 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -8.135 -0.561 10.580 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -9.515 -0.413 9.510 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.333 -4.642 9.464 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.493 -5.600 10.194 1.00 0.00 C ATOM 1930 C PRO A 121 -4.074 -5.099 10.482 1.00 0.00 C ATOM 1931 O PRO A 121 -3.600 -5.184 11.615 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.444 -6.781 9.235 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.778 -6.765 8.580 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.114 -5.310 8.396 1.00 0.00 C ATOM 0 HA PRO A 121 -5.900 -5.814 11.182 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.640 -6.671 8.507 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.270 -7.718 9.764 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.752 -7.287 7.623 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.525 -7.266 9.196 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.829 -4.953 7.406 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.183 -5.127 8.505 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.393 -4.594 9.457 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.022 -4.100 9.617 1.00 0.00 C ATOM 1944 C VAL A 122 -2.000 -2.718 10.257 1.00 0.00 C ATOM 1945 O VAL A 122 -1.314 -2.489 11.253 1.00 0.00 O ATOM 1946 CB VAL A 122 -1.265 -4.018 8.268 1.00 0.00 C ATOM 1947 CG1 VAL A 122 0.144 -4.572 8.412 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -2.013 -4.735 7.151 1.00 0.00 C ATOM 0 H VAL A 122 -3.763 -4.515 8.510 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.522 -4.821 10.264 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.202 -2.965 7.992 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.660 -4.506 7.454 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.688 -3.993 9.158 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.095 -5.614 8.727 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.447 -4.653 6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.134 -5.787 7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.994 -4.279 7.019 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.754 -1.801 9.665 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.834 -0.432 10.151 1.00 0.00 C ATOM 1960 C ILE A 123 -3.393 -0.382 11.564 1.00 0.00 C ATOM 1961 O ILE A 123 -3.072 0.509 12.331 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.699 0.434 9.215 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -3.000 0.587 7.863 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.971 1.797 9.838 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -2.148 1.831 7.763 1.00 0.00 C ATOM 0 H ILE A 123 -3.324 -1.985 8.839 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.821 -0.031 10.165 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.658 -0.061 9.063 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.374 -0.288 7.685 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.752 0.607 7.074 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.583 2.391 9.160 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.498 1.666 10.783 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.026 2.310 10.018 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.683 1.875 6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.772 2.712 7.909 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.373 1.804 8.529 1.00 0.00 H new ATOM 1977 N ALA A 124 -4.209 -1.361 11.898 1.00 0.00 N ATOM 1978 CA ALA A 124 -4.793 -1.438 13.230 1.00 0.00 C ATOM 1979 C ALA A 124 -3.684 -1.405 14.275 1.00 0.00 C ATOM 1980 O ALA A 124 -3.750 -0.662 15.255 1.00 0.00 O ATOM 1981 CB ALA A 124 -5.634 -2.696 13.380 1.00 0.00 C ATOM 0 H ALA A 124 -4.485 -2.115 11.269 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.449 -0.580 13.378 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -6.060 -2.732 14.383 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.438 -2.686 12.644 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.008 -3.574 13.220 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.684 -2.252 14.066 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.568 -2.368 14.998 1.00 0.00 C ATOM 1989 C LYS A 125 -0.909 -1.016 15.248 1.00 0.00 C ATOM 1990 O LYS A 125 -0.721 -0.613 16.397 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.533 -3.362 14.467 1.00 0.00 C ATOM 1992 CG LYS A 125 0.649 -3.568 15.402 1.00 0.00 C ATOM 1993 CD LYS A 125 0.891 -5.042 15.684 1.00 0.00 C ATOM 1994 CE LYS A 125 2.013 -5.598 14.823 1.00 0.00 C ATOM 1995 NZ LYS A 125 1.930 -7.079 14.690 1.00 0.00 N ATOM 0 H LYS A 125 -2.622 -2.871 13.257 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.964 -2.733 15.946 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.019 -4.322 14.293 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.166 -3.011 13.503 1.00 0.00 H new ATOM 0 HG2 LYS A 125 1.544 -3.130 14.960 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.467 -3.043 16.340 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.139 -5.176 16.737 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -0.024 -5.604 15.498 1.00 0.00 H new ATOM 0 HE2 LYS A 125 1.972 -5.142 13.834 1.00 0.00 H new ATOM 0 HE3 LYS A 125 2.974 -5.326 15.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 2.713 -7.419 14.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 1.995 -7.516 15.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.024 -7.338 14.250 1.00 0.00 H new ATOM 2009 N LEU A 126 -0.551 -0.322 14.178 1.00 0.00 N ATOM 2010 CA LEU A 126 0.098 0.985 14.295 1.00 0.00 C ATOM 2011 C LEU A 126 -0.917 2.081 14.607 1.00 0.00 C ATOM 2012 O LEU A 126 -0.707 2.905 15.493 1.00 0.00 O ATOM 2013 CB LEU A 126 0.845 1.322 13.003 1.00 0.00 C ATOM 2014 CG LEU A 126 1.930 2.393 13.143 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.290 1.750 13.364 1.00 0.00 C ATOM 2016 CD2 LEU A 126 1.955 3.289 11.914 1.00 0.00 C ATOM 0 H LEU A 126 -0.696 -0.637 13.219 1.00 0.00 H new ATOM 0 HA LEU A 126 0.809 0.933 15.120 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.303 0.411 12.618 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.121 1.655 12.259 1.00 0.00 H new ATOM 0 HG LEU A 126 1.697 3.008 14.012 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.048 2.527 13.461 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.266 1.151 14.274 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.532 1.111 12.515 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.732 4.045 12.030 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.163 2.687 11.029 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.987 3.778 11.800 1.00 0.00 H new ATOM 2028 N LYS A 127 -1.999 2.094 13.842 1.00 0.00 N ATOM 2029 CA LYS A 127 -3.054 3.094 13.990 1.00 0.00 C ATOM 2030 C LYS A 127 -3.503 3.202 15.433 1.00 0.00 C ATOM 2031 O LYS A 127 -3.755 4.295 15.938 1.00 0.00 O ATOM 2032 CB LYS A 127 -4.250 2.726 13.124 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.480 3.586 13.371 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.709 2.739 13.661 1.00 0.00 C ATOM 2035 CE LYS A 127 -6.823 2.411 15.142 1.00 0.00 C ATOM 2036 NZ LYS A 127 -7.053 3.631 15.965 1.00 0.00 N ATOM 0 H LYS A 127 -2.173 1.414 13.102 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.649 4.055 13.673 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.966 2.809 12.075 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.507 1.682 13.302 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -5.293 4.256 14.210 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.667 4.212 12.499 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -7.603 3.270 13.335 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.659 1.815 13.085 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -7.643 1.709 15.296 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -5.911 1.915 15.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -7.532 3.368 16.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -6.140 4.078 16.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -7.647 4.300 15.435 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.582 2.063 16.099 1.00 0.00 N ATOM 2051 CA ARG A 128 -3.979 2.041 17.496 1.00 0.00 C ATOM 2052 C ARG A 128 -2.941 2.786 18.333 1.00 0.00 C ATOM 2053 O ARG A 128 -3.156 3.055 19.515 1.00 0.00 O ATOM 2054 CB ARG A 128 -4.127 0.597 17.979 1.00 0.00 C ATOM 2055 CG ARG A 128 -4.291 0.464 19.485 1.00 0.00 C ATOM 2056 CD ARG A 128 -4.507 -0.983 19.897 1.00 0.00 C ATOM 2057 NE ARG A 128 -5.853 -1.448 19.573 1.00 0.00 N ATOM 2058 CZ ARG A 128 -6.424 -2.513 20.131 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -5.770 -3.227 21.039 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -7.653 -2.866 19.778 1.00 0.00 N ATOM 0 H ARG A 128 -3.378 1.147 15.699 1.00 0.00 H new ATOM 0 HA ARG A 128 -4.943 2.538 17.606 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -4.990 0.147 17.488 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.251 0.028 17.667 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -3.405 0.857 19.984 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -5.137 1.067 19.814 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -3.774 -1.616 19.396 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -4.336 -1.084 20.969 1.00 0.00 H new ATOM 0 HE ARG A 128 -6.387 -0.926 18.878 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -4.824 -2.961 21.313 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -6.213 -4.042 21.463 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -8.159 -2.322 19.080 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -8.092 -3.682 20.205 1.00 0.00 H new ATOM 2074 N LEU A 129 -1.815 3.124 17.698 1.00 0.00 N ATOM 2075 CA LEU A 129 -0.734 3.849 18.363 1.00 0.00 C ATOM 2076 C LEU A 129 -0.456 3.283 19.753 1.00 0.00 C ATOM 2077 O LEU A 129 -0.088 4.016 20.671 1.00 0.00 O ATOM 2078 CB LEU A 129 -1.079 5.338 18.462 1.00 0.00 C ATOM 2079 CG LEU A 129 -1.724 5.944 17.208 1.00 0.00 C ATOM 2080 CD1 LEU A 129 -3.133 6.429 17.513 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -0.876 7.085 16.661 1.00 0.00 C ATOM 0 H LEU A 129 -1.630 2.905 16.719 1.00 0.00 H new ATOM 0 HA LEU A 129 0.168 3.728 17.763 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.755 5.483 19.305 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.167 5.892 18.686 1.00 0.00 H new ATOM 0 HG LEU A 129 -1.782 5.166 16.447 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.574 6.855 16.612 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -3.741 5.590 17.853 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -3.095 7.189 18.293 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.353 7.499 15.772 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -0.781 7.863 17.418 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.114 6.710 16.400 1.00 0.00 H new