USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 858 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 54 GLN :FLIP amide:sc= -0.699 F(o=-2.5!,f=-0.29) USER MOD Set 1.2: A 55 ASN : amide:sc= 0.413 K(o=-0.29,f=-1.1) USER MOD Set 2.1: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 24 SER OG : rot 10:sc= -0.221 USER MOD Set 2.3: A 26 LYS NZ :NH3+ -164:sc= 0.784 (180deg=-0.2) USER MOD Set 2.4: A 30 CYS SG : rot -53:sc= 0.902 USER MOD Set 3.1: A 11 GLN : amide:sc= 0.44 K(o=0.77,f=0.21) USER MOD Set 3.2: A 20 TYR OH : rot -120:sc= 0.333 USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= -0.0155 (180deg=-0.191) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.499 F(o=-6.5!,f=-0.5) USER MOD Single : A 15 ASN : amide:sc= -0.792 X(o=-0.79,f=-0.57) USER MOD Single : A 21 MET CE :methyl 154:sc= -0.374 (180deg=-2.4) USER MOD Single : A 29 SER OG : rot -110:sc= 0 USER MOD Single : A 33 SER OG : rot -99:sc= -2.19! USER MOD Single : A 35 GLN :FLIP amide:sc= -1.63 F(o=-6.4!,f=-1.6) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.869 F(o=-3.9!,f=-0.87) USER MOD Single : A 43 CYS SG : rot 2:sc= -1.21 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -71:sc= -0.796! USER MOD Single : A 67 ASN : amide:sc= -0.27 K(o=-0.27,f=-1.9) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0344 USER MOD Single : A 73 GLN : amide:sc= -5.45! C(o=-5.5!,f=-6.8!) USER MOD Single : A 84 CYS SG : rot 102:sc= 1.35 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc=-0.00237 K(o=-0.0024,f=-1.3!) USER MOD Single : A 97 GLN :FLIP amide:sc= -0.015 F(o=-0.54,f=-0.015) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.338 F(o=-2.3,f=-0.34) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 101:sc= 1.22 USER MOD Single : A 106 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.14) USER MOD Single : A 107 TYR OH : rot 30:sc= -0.0042 USER MOD Single : A 108 LYS NZ :NH3+ 169:sc= -2.87! (180deg=-3.35!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 13.465 9.020 2.622 1.00 0.00 N ATOM 60 CA ILE A 5 12.089 9.001 3.104 1.00 0.00 C ATOM 61 C ILE A 5 11.360 10.307 2.811 1.00 0.00 C ATOM 62 O ILE A 5 10.170 10.295 2.522 1.00 0.00 O ATOM 63 CB ILE A 5 12.047 8.700 4.618 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.385 7.240 4.875 1.00 0.00 C ATOM 65 CG2 ILE A 5 10.679 9.008 5.187 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.733 6.940 6.316 1.00 0.00 C ATOM 0 HA ILE A 5 11.573 8.206 2.565 1.00 0.00 H new ATOM 0 HB ILE A 5 12.785 9.334 5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.537 6.623 4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.224 6.954 4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.671 8.789 6.255 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.449 10.062 5.031 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.930 8.395 4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.962 5.880 6.422 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.601 7.530 6.611 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.887 7.194 6.955 1.00 0.00 H new ATOM 78 N GLU A 6 12.065 11.426 2.907 1.00 0.00 N ATOM 79 CA GLU A 6 11.454 12.729 2.668 1.00 0.00 C ATOM 80 C GLU A 6 10.776 12.755 1.295 1.00 0.00 C ATOM 81 O GLU A 6 9.609 13.127 1.171 1.00 0.00 O ATOM 82 CB GLU A 6 12.508 13.836 2.751 1.00 0.00 C ATOM 83 CG GLU A 6 13.331 13.811 4.034 1.00 0.00 C ATOM 84 CD GLU A 6 12.506 13.941 5.305 1.00 0.00 C ATOM 85 OE1 GLU A 6 11.267 14.062 5.225 1.00 0.00 O ATOM 86 OE2 GLU A 6 13.102 13.913 6.401 1.00 0.00 O ATOM 0 H GLU A 6 13.056 11.460 3.147 1.00 0.00 H new ATOM 0 HA GLU A 6 10.701 12.902 3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.181 13.748 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.012 14.803 2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.894 12.879 4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.059 14.622 4.002 1.00 0.00 H new ATOM 93 N LYS A 7 11.484 12.250 0.288 1.00 0.00 N ATOM 94 CA LYS A 7 10.922 12.102 -1.053 1.00 0.00 C ATOM 95 C LYS A 7 9.891 10.979 -1.094 1.00 0.00 C ATOM 96 O LYS A 7 8.853 11.104 -1.739 1.00 0.00 O ATOM 97 CB LYS A 7 12.017 11.856 -2.102 1.00 0.00 C ATOM 98 CG LYS A 7 12.876 13.078 -2.426 1.00 0.00 C ATOM 99 CD LYS A 7 13.678 13.572 -1.230 1.00 0.00 C ATOM 100 CE LYS A 7 14.486 14.812 -1.578 1.00 0.00 C ATOM 101 NZ LYS A 7 15.466 14.556 -2.667 1.00 0.00 N ATOM 0 H LYS A 7 12.450 11.935 0.375 1.00 0.00 H new ATOM 0 HA LYS A 7 10.425 13.040 -1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.667 11.055 -1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.548 11.504 -3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.559 12.830 -3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.234 13.883 -2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.002 13.796 -0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.348 12.783 -0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.810 15.611 -1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.014 15.160 -0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.128 15.356 -2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.995 13.685 -2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.961 14.448 -3.570 1.00 0.00 H new ATOM 115 N ILE A 8 10.183 9.882 -0.402 1.00 0.00 N ATOM 116 CA ILE A 8 9.284 8.739 -0.356 1.00 0.00 C ATOM 117 C ILE A 8 7.906 9.130 0.172 1.00 0.00 C ATOM 118 O ILE A 8 6.889 8.737 -0.389 1.00 0.00 O ATOM 119 CB ILE A 8 9.868 7.612 0.517 1.00 0.00 C ATOM 120 CG1 ILE A 8 11.152 7.063 -0.118 1.00 0.00 C ATOM 121 CG2 ILE A 8 8.842 6.515 0.715 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.822 5.979 0.698 1.00 0.00 C ATOM 0 H ILE A 8 11.041 9.763 0.137 1.00 0.00 H new ATOM 0 HA ILE A 8 9.174 8.379 -1.379 1.00 0.00 H new ATOM 0 HB ILE A 8 10.121 8.016 1.497 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.917 6.668 -1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.855 7.884 -0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.268 5.725 1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.961 6.926 1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.558 6.104 -0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.722 5.641 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.090 6.374 1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.137 5.140 0.820 1.00 0.00 H new ATOM 134 N GLN A 9 7.874 9.929 1.227 1.00 0.00 N ATOM 135 CA GLN A 9 6.613 10.387 1.788 1.00 0.00 C ATOM 136 C GLN A 9 5.835 11.233 0.794 1.00 0.00 C ATOM 137 O GLN A 9 4.627 11.067 0.654 1.00 0.00 O ATOM 138 CB GLN A 9 6.824 11.139 3.100 1.00 0.00 C ATOM 139 CG GLN A 9 7.210 10.238 4.256 1.00 0.00 C ATOM 140 CD GLN A 9 7.391 11.001 5.551 1.00 0.00 C ATOM 141 OE1 GLN A 9 8.535 10.823 6.183 1.00 0.00 O flip ATOM 142 NE2 GLN A 9 6.495 11.718 5.995 1.00 0.00 N flip ATOM 0 H GLN A 9 8.704 10.273 1.711 1.00 0.00 H new ATOM 0 HA GLN A 9 6.017 9.501 2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.602 11.889 2.959 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.909 11.673 3.355 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.442 9.477 4.391 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.136 9.717 4.013 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.625 11.829 5.474 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.622 12.202 6.884 1.00 0.00 H new ATOM 151 N ARG A 10 6.545 12.028 0.010 1.00 0.00 N ATOM 152 CA ARG A 10 5.942 12.756 -1.074 1.00 0.00 C ATOM 153 C ARG A 10 5.303 11.789 -2.076 1.00 0.00 C ATOM 154 O ARG A 10 4.207 12.040 -2.575 1.00 0.00 O ATOM 155 CB ARG A 10 7.009 13.609 -1.737 1.00 0.00 C ATOM 156 CG ARG A 10 6.554 14.343 -2.972 1.00 0.00 C ATOM 157 CD ARG A 10 5.467 15.383 -2.703 1.00 0.00 C ATOM 158 NE ARG A 10 4.193 14.794 -2.287 1.00 0.00 N ATOM 159 CZ ARG A 10 3.097 15.504 -2.020 1.00 0.00 C ATOM 160 NH1 ARG A 10 3.085 16.816 -2.217 1.00 0.00 N ATOM 161 NH2 ARG A 10 1.998 14.895 -1.589 1.00 0.00 N ATOM 0 H ARG A 10 7.548 12.181 0.113 1.00 0.00 H new ATOM 0 HA ARG A 10 5.150 13.402 -0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.374 14.337 -1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.852 12.971 -2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.412 14.837 -3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.181 13.620 -3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.813 16.068 -1.929 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.309 15.975 -3.605 1.00 0.00 H new ATOM 0 HE ARG A 10 4.141 13.779 -2.196 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.917 17.286 -2.574 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.244 17.355 -2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.992 13.883 -1.462 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.160 15.439 -1.385 1.00 0.00 H new ATOM 175 N GLN A 11 5.969 10.661 -2.308 1.00 0.00 N ATOM 176 CA GLN A 11 5.451 9.622 -3.198 1.00 0.00 C ATOM 177 C GLN A 11 4.215 8.961 -2.602 1.00 0.00 C ATOM 178 O GLN A 11 3.229 8.721 -3.292 1.00 0.00 O ATOM 179 CB GLN A 11 6.528 8.566 -3.475 1.00 0.00 C ATOM 180 CG GLN A 11 6.061 7.444 -4.390 1.00 0.00 C ATOM 181 CD GLN A 11 7.124 6.384 -4.614 1.00 0.00 C ATOM 182 OE1 GLN A 11 7.584 5.737 -3.673 1.00 0.00 O ATOM 183 NE2 GLN A 11 7.520 6.195 -5.863 1.00 0.00 N ATOM 0 H GLN A 11 6.873 10.441 -1.890 1.00 0.00 H new ATOM 0 HA GLN A 11 5.170 10.096 -4.139 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.394 9.052 -3.923 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.857 8.138 -2.528 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.174 6.977 -3.961 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.766 7.865 -5.351 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.115 6.751 -6.616 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.230 5.493 -6.072 1.00 0.00 H new ATOM 192 N ILE A 12 4.286 8.623 -1.332 1.00 0.00 N ATOM 193 CA ILE A 12 3.182 7.945 -0.683 1.00 0.00 C ATOM 194 C ILE A 12 1.969 8.858 -0.591 1.00 0.00 C ATOM 195 O ILE A 12 0.846 8.452 -0.888 1.00 0.00 O ATOM 196 CB ILE A 12 3.564 7.451 0.728 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.801 6.549 0.670 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.397 6.715 1.360 1.00 0.00 C ATOM 199 CD1 ILE A 12 5.154 5.916 1.996 1.00 0.00 C ATOM 0 H ILE A 12 5.090 8.805 -0.731 1.00 0.00 H new ATOM 0 HA ILE A 12 2.936 7.077 -1.295 1.00 0.00 H new ATOM 0 HB ILE A 12 3.804 8.317 1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.632 5.762 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.651 7.135 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.679 6.372 2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.542 7.387 1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.130 5.857 0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.040 5.292 1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.356 6.697 2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.321 5.302 2.339 1.00 0.00 H new ATOM 211 N ALA A 13 2.212 10.083 -0.160 1.00 0.00 N ATOM 212 CA ALA A 13 1.156 11.069 0.007 1.00 0.00 C ATOM 213 C ALA A 13 0.452 11.386 -1.310 1.00 0.00 C ATOM 214 O ALA A 13 -0.748 11.638 -1.322 1.00 0.00 O ATOM 215 CB ALA A 13 1.712 12.341 0.626 1.00 0.00 C ATOM 0 H ALA A 13 3.142 10.423 0.084 1.00 0.00 H new ATOM 0 HA ALA A 13 0.414 10.638 0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.909 13.069 0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.142 12.113 1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.484 12.754 -0.023 1.00 0.00 H new ATOM 221 N GLU A 14 1.211 11.457 -2.406 1.00 0.00 N ATOM 222 CA GLU A 14 0.634 11.841 -3.697 1.00 0.00 C ATOM 223 C GLU A 14 -0.343 10.782 -4.207 1.00 0.00 C ATOM 224 O GLU A 14 -1.341 11.112 -4.850 1.00 0.00 O ATOM 225 CB GLU A 14 1.706 12.125 -4.753 1.00 0.00 C ATOM 226 CG GLU A 14 2.545 10.923 -5.119 1.00 0.00 C ATOM 227 CD GLU A 14 3.514 11.208 -6.244 1.00 0.00 C ATOM 228 OE1 GLU A 14 4.364 12.109 -6.096 1.00 0.00 O ATOM 229 OE2 GLU A 14 3.428 10.531 -7.288 1.00 0.00 O ATOM 0 H GLU A 14 2.211 11.257 -2.427 1.00 0.00 H new ATOM 0 HA GLU A 14 0.086 12.768 -3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.223 12.505 -5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.362 12.914 -4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.101 10.592 -4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.889 10.102 -5.409 1.00 0.00 H new ATOM 236 N ASN A 15 -0.059 9.514 -3.928 1.00 0.00 N ATOM 237 CA ASN A 15 -0.936 8.436 -4.373 1.00 0.00 C ATOM 238 C ASN A 15 -2.174 8.341 -3.490 1.00 0.00 C ATOM 239 O ASN A 15 -2.075 8.315 -2.263 1.00 0.00 O ATOM 240 CB ASN A 15 -0.180 7.105 -4.390 1.00 0.00 C ATOM 241 CG ASN A 15 0.854 7.045 -5.493 1.00 0.00 C ATOM 242 OD1 ASN A 15 0.517 7.081 -6.678 1.00 0.00 O ATOM 243 ND2 ASN A 15 2.118 6.980 -5.126 1.00 0.00 N ATOM 0 H ASN A 15 0.761 9.210 -3.403 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.264 8.660 -5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.310 6.956 -3.428 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.890 6.288 -4.516 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.854 6.958 -5.832 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.361 6.952 -4.136 1.00 0.00 H new ATOM 250 N PRO A 16 -3.370 8.332 -4.116 1.00 0.00 N ATOM 251 CA PRO A 16 -4.651 8.287 -3.397 1.00 0.00 C ATOM 252 C PRO A 16 -4.780 7.047 -2.544 1.00 0.00 C ATOM 253 O PRO A 16 -5.168 7.105 -1.379 1.00 0.00 O ATOM 254 CB PRO A 16 -5.686 8.223 -4.528 1.00 0.00 C ATOM 255 CG PRO A 16 -5.000 8.828 -5.699 1.00 0.00 C ATOM 256 CD PRO A 16 -3.565 8.412 -5.572 1.00 0.00 C ATOM 0 HA PRO A 16 -4.765 9.135 -2.722 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.987 7.195 -4.732 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.590 8.775 -4.270 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.432 8.473 -6.635 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.097 9.914 -5.695 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.378 7.454 -6.057 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.893 9.138 -6.030 1.00 0.00 H new ATOM 264 N ILE A 17 -4.373 5.939 -3.119 1.00 0.00 N ATOM 265 CA ILE A 17 -4.359 4.669 -2.433 1.00 0.00 C ATOM 266 C ILE A 17 -3.078 3.981 -2.840 1.00 0.00 C ATOM 267 O ILE A 17 -2.739 3.983 -4.022 1.00 0.00 O ATOM 268 CB ILE A 17 -5.551 3.774 -2.856 1.00 0.00 C ATOM 269 CG1 ILE A 17 -6.896 4.517 -2.756 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.586 2.507 -2.013 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.247 5.011 -1.368 1.00 0.00 C ATOM 0 H ILE A 17 -4.040 5.894 -4.082 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.432 4.831 -1.358 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.402 3.507 -3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.876 5.369 -3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.688 3.853 -3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.429 1.888 -2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.658 1.952 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.696 2.772 -0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.210 5.521 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.305 4.164 -0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.479 5.704 -1.023 1.00 0.00 H new ATOM 283 N LEU A 18 -2.279 3.566 -1.884 1.00 0.00 N ATOM 284 CA LEU A 18 -0.957 3.089 -2.215 1.00 0.00 C ATOM 285 C LEU A 18 -0.646 1.785 -1.506 1.00 0.00 C ATOM 286 O LEU A 18 -1.086 1.551 -0.390 1.00 0.00 O ATOM 287 CB LEU A 18 0.077 4.155 -1.876 1.00 0.00 C ATOM 288 CG LEU A 18 1.480 3.882 -2.399 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.463 3.761 -3.916 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.416 4.997 -1.963 1.00 0.00 C ATOM 0 H LEU A 18 -2.514 3.549 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.920 2.891 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.264 5.110 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.124 4.262 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 18 1.838 2.940 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.473 3.566 -4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.808 2.940 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.096 4.690 -4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.419 4.798 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.061 5.947 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.440 5.047 -0.874 1.00 0.00 H new ATOM 302 N LEU A 19 0.023 0.907 -2.214 1.00 0.00 N ATOM 303 CA LEU A 19 0.308 -0.427 -1.732 1.00 0.00 C ATOM 304 C LEU A 19 1.745 -0.797 -2.045 1.00 0.00 C ATOM 305 O LEU A 19 2.117 -0.905 -3.194 1.00 0.00 O ATOM 306 CB LEU A 19 -0.657 -1.399 -2.419 1.00 0.00 C ATOM 307 CG LEU A 19 -0.252 -2.872 -2.411 1.00 0.00 C ATOM 308 CD1 LEU A 19 -0.092 -3.399 -0.991 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.279 -3.694 -3.171 1.00 0.00 C ATOM 0 H LEU A 19 0.388 1.097 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 19 0.176 -0.475 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.632 -1.309 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.781 -1.084 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 19 0.716 -2.961 -2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.196 -4.450 -1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.679 -2.827 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.037 -3.298 -0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.984 -4.743 -3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.254 -3.587 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.336 -3.342 -4.201 1.00 0.00 H new ATOM 321 N TYR A 20 2.538 -1.064 -1.032 1.00 0.00 N ATOM 322 CA TYR A 20 3.902 -1.492 -1.274 1.00 0.00 C ATOM 323 C TYR A 20 4.015 -3.002 -1.216 1.00 0.00 C ATOM 324 O TYR A 20 3.781 -3.613 -0.173 1.00 0.00 O ATOM 325 CB TYR A 20 4.863 -0.858 -0.274 1.00 0.00 C ATOM 326 CG TYR A 20 5.212 0.584 -0.569 1.00 0.00 C ATOM 327 CD1 TYR A 20 4.237 1.560 -0.686 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.539 0.958 -0.752 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.575 2.865 -0.974 1.00 0.00 C ATOM 330 CE2 TYR A 20 6.884 2.261 -1.038 1.00 0.00 C ATOM 331 CZ TYR A 20 5.896 3.213 -1.149 1.00 0.00 C ATOM 332 OH TYR A 20 6.228 4.519 -1.433 1.00 0.00 O ATOM 0 H TYR A 20 2.272 -0.995 -0.050 1.00 0.00 H new ATOM 0 HA TYR A 20 4.176 -1.160 -2.275 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.422 -0.916 0.721 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.782 -1.444 -0.250 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.199 1.296 -0.550 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.315 0.212 -0.668 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.803 3.615 -1.062 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.920 2.533 -1.174 1.00 0.00 H new ATOM 0 HH TYR A 20 6.691 4.559 -2.296 1.00 0.00 H new ATOM 342 N MET A 21 4.433 -3.591 -2.327 1.00 0.00 N ATOM 343 CA MET A 21 4.649 -5.019 -2.402 1.00 0.00 C ATOM 344 C MET A 21 5.816 -5.357 -3.335 1.00 0.00 C ATOM 345 O MET A 21 6.545 -4.469 -3.760 1.00 0.00 O ATOM 346 CB MET A 21 3.364 -5.701 -2.840 1.00 0.00 C ATOM 347 CG MET A 21 2.717 -5.140 -4.092 1.00 0.00 C ATOM 348 SD MET A 21 1.159 -5.978 -4.454 1.00 0.00 S ATOM 349 CE MET A 21 0.614 -5.107 -5.919 1.00 0.00 C ATOM 0 H MET A 21 4.630 -3.091 -3.194 1.00 0.00 H new ATOM 0 HA MET A 21 4.922 -5.390 -1.414 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.573 -6.758 -3.003 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.645 -5.640 -2.023 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.538 -4.072 -3.965 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.397 -5.250 -4.937 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.033 -5.756 -6.509 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.062 -4.213 -5.627 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.480 -4.820 -6.515 1.00 0.00 H new ATOM 359 N LYS A 22 5.999 -6.630 -3.674 1.00 0.00 N ATOM 360 CA LYS A 22 7.087 -6.994 -4.573 1.00 0.00 C ATOM 361 C LYS A 22 6.559 -7.132 -5.979 1.00 0.00 C ATOM 362 O LYS A 22 5.711 -7.963 -6.247 1.00 0.00 O ATOM 363 CB LYS A 22 7.769 -8.295 -4.151 1.00 0.00 C ATOM 364 CG LYS A 22 8.966 -8.644 -5.023 1.00 0.00 C ATOM 365 CD LYS A 22 9.701 -9.877 -4.526 1.00 0.00 C ATOM 366 CE LYS A 22 10.900 -10.189 -5.407 1.00 0.00 C ATOM 367 NZ LYS A 22 11.653 -11.380 -4.938 1.00 0.00 N ATOM 0 H LYS A 22 5.424 -7.408 -3.350 1.00 0.00 H new ATOM 0 HA LYS A 22 7.832 -6.200 -4.528 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.094 -8.210 -3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.045 -9.109 -4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.631 -8.812 -6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.654 -7.799 -5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.031 -9.719 -3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.022 -10.730 -4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.562 -10.356 -6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.566 -9.327 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.460 -11.552 -5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.000 -11.213 -3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.027 -12.210 -4.943 1.00 0.00 H new ATOM 381 N GLY A 23 7.020 -6.264 -6.844 1.00 0.00 N ATOM 382 CA GLY A 23 6.514 -6.230 -8.204 1.00 0.00 C ATOM 383 C GLY A 23 7.364 -7.015 -9.182 1.00 0.00 C ATOM 384 O GLY A 23 7.972 -6.432 -10.080 1.00 0.00 O ATOM 0 H GLY A 23 7.741 -5.573 -6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.499 -6.627 -8.216 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.455 -5.193 -8.536 1.00 0.00 H new ATOM 388 N SER A 24 7.343 -8.340 -9.069 1.00 0.00 N ATOM 389 CA SER A 24 8.056 -9.172 -10.035 1.00 0.00 C ATOM 390 C SER A 24 7.235 -9.293 -11.319 1.00 0.00 C ATOM 391 O SER A 24 6.014 -9.307 -11.266 1.00 0.00 O ATOM 392 CB SER A 24 8.390 -10.553 -9.449 1.00 0.00 C ATOM 393 OG SER A 24 7.228 -11.270 -9.067 1.00 0.00 O ATOM 0 H SER A 24 6.852 -8.852 -8.336 1.00 0.00 H new ATOM 0 HA SER A 24 9.005 -8.692 -10.273 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.947 -11.133 -10.185 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.040 -10.430 -8.583 1.00 0.00 H new ATOM 0 HG SER A 24 6.432 -10.803 -9.397 1.00 0.00 H new ATOM 399 N PRO A 25 7.879 -9.318 -12.496 1.00 0.00 N ATOM 400 CA PRO A 25 7.169 -9.376 -13.780 1.00 0.00 C ATOM 401 C PRO A 25 6.156 -10.520 -13.831 1.00 0.00 C ATOM 402 O PRO A 25 5.027 -10.343 -14.296 1.00 0.00 O ATOM 403 CB PRO A 25 8.291 -9.607 -14.790 1.00 0.00 C ATOM 404 CG PRO A 25 9.493 -9.002 -14.156 1.00 0.00 C ATOM 405 CD PRO A 25 9.339 -9.226 -12.676 1.00 0.00 C ATOM 0 HA PRO A 25 6.586 -8.474 -13.968 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.437 -10.669 -14.985 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.067 -9.135 -15.747 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.406 -9.467 -14.528 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.561 -7.938 -14.385 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.842 -10.137 -12.353 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.764 -8.405 -12.099 1.00 0.00 H new ATOM 413 N LYS A 26 6.552 -11.674 -13.305 1.00 0.00 N ATOM 414 CA LYS A 26 5.673 -12.840 -13.233 1.00 0.00 C ATOM 415 C LYS A 26 4.478 -12.584 -12.307 1.00 0.00 C ATOM 416 O LYS A 26 3.399 -13.142 -12.504 1.00 0.00 O ATOM 417 CB LYS A 26 6.452 -14.074 -12.766 1.00 0.00 C ATOM 418 CG LYS A 26 7.061 -13.940 -11.378 1.00 0.00 C ATOM 419 CD LYS A 26 7.863 -15.176 -11.004 1.00 0.00 C ATOM 420 CE LYS A 26 8.452 -15.067 -9.605 1.00 0.00 C ATOM 421 NZ LYS A 26 7.398 -14.964 -8.560 1.00 0.00 N ATOM 0 H LYS A 26 7.483 -11.829 -12.919 1.00 0.00 H new ATOM 0 HA LYS A 26 5.288 -13.026 -14.236 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.785 -14.936 -12.776 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.248 -14.279 -13.481 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.706 -13.062 -11.345 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.270 -13.782 -10.645 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.222 -16.056 -11.061 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.667 -15.320 -11.726 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.075 -15.939 -9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.101 -14.193 -9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.821 -14.624 -7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.664 -14.296 -8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.971 -15.899 -8.404 1.00 0.00 H new ATOM 435 N LEU A 27 4.692 -11.780 -11.272 1.00 0.00 N ATOM 436 CA LEU A 27 3.655 -11.500 -10.286 1.00 0.00 C ATOM 437 C LEU A 27 3.968 -10.206 -9.555 1.00 0.00 C ATOM 438 O LEU A 27 4.981 -10.116 -8.862 1.00 0.00 O ATOM 439 CB LEU A 27 3.623 -12.623 -9.255 1.00 0.00 C ATOM 440 CG LEU A 27 2.512 -12.523 -8.206 1.00 0.00 C ATOM 441 CD1 LEU A 27 1.145 -12.602 -8.865 1.00 0.00 C ATOM 442 CD2 LEU A 27 2.662 -13.614 -7.161 1.00 0.00 C ATOM 0 H LEU A 27 5.579 -11.309 -11.093 1.00 0.00 H new ATOM 0 HA LEU A 27 2.697 -11.418 -10.800 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.518 -13.572 -9.780 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.584 -12.648 -8.740 1.00 0.00 H new ATOM 0 HG LEU A 27 2.599 -11.557 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.369 -12.529 -8.103 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.035 -11.782 -9.574 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.049 -13.552 -9.391 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.863 -13.525 -6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.605 -14.590 -7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.626 -13.511 -6.664 1.00 0.00 H new ATOM 454 N PRO A 28 3.119 -9.186 -9.679 1.00 0.00 N ATOM 455 CA PRO A 28 3.339 -7.901 -9.016 1.00 0.00 C ATOM 456 C PRO A 28 3.121 -7.971 -7.505 1.00 0.00 C ATOM 457 O PRO A 28 2.809 -6.965 -6.876 1.00 0.00 O ATOM 458 CB PRO A 28 2.293 -6.978 -9.659 1.00 0.00 C ATOM 459 CG PRO A 28 1.739 -7.734 -10.816 1.00 0.00 C ATOM 460 CD PRO A 28 1.890 -9.179 -10.473 1.00 0.00 C ATOM 0 HA PRO A 28 4.367 -7.560 -9.139 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.508 -6.722 -8.948 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.746 -6.042 -9.985 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.692 -7.480 -10.983 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.276 -7.492 -11.733 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.038 -9.553 -9.906 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.978 -9.801 -11.364 1.00 0.00 H new ATOM 468 N SER A 29 3.339 -9.146 -6.923 1.00 0.00 N ATOM 469 CA SER A 29 3.209 -9.332 -5.491 1.00 0.00 C ATOM 470 C SER A 29 3.899 -10.609 -5.018 1.00 0.00 C ATOM 471 O SER A 29 3.292 -11.456 -4.360 1.00 0.00 O ATOM 472 CB SER A 29 1.741 -9.341 -5.132 1.00 0.00 C ATOM 473 OG SER A 29 1.025 -10.295 -5.900 1.00 0.00 O ATOM 0 H SER A 29 3.609 -9.988 -7.431 1.00 0.00 H new ATOM 0 HA SER A 29 3.706 -8.506 -4.982 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.626 -9.565 -4.072 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.319 -8.349 -5.296 1.00 0.00 H new ATOM 0 HG SER A 29 0.440 -9.831 -6.534 1.00 0.00 H new ATOM 479 N CYS A 30 5.156 -10.755 -5.405 1.00 0.00 N ATOM 480 CA CYS A 30 5.953 -11.941 -5.088 1.00 0.00 C ATOM 481 C CYS A 30 6.365 -11.986 -3.608 1.00 0.00 C ATOM 482 O CYS A 30 7.551 -12.017 -3.280 1.00 0.00 O ATOM 483 CB CYS A 30 7.194 -11.964 -5.966 1.00 0.00 C ATOM 484 SG CYS A 30 8.178 -13.475 -5.844 1.00 0.00 S ATOM 0 H CYS A 30 5.659 -10.055 -5.950 1.00 0.00 H new ATOM 0 HA CYS A 30 5.335 -12.818 -5.281 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.891 -11.827 -7.004 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.824 -11.114 -5.703 1.00 0.00 H new ATOM 0 HG CYS A 30 8.457 -13.712 -4.597 1.00 0.00 H new ATOM 490 N GLY A 31 5.389 -11.992 -2.725 1.00 0.00 N ATOM 491 CA GLY A 31 5.674 -12.048 -1.301 1.00 0.00 C ATOM 492 C GLY A 31 4.423 -12.215 -0.456 1.00 0.00 C ATOM 493 O GLY A 31 3.504 -12.937 -0.839 1.00 0.00 O ATOM 0 H GLY A 31 4.397 -11.959 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.354 -12.877 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.189 -11.135 -1.002 1.00 0.00 H new ATOM 497 N PHE A 32 4.370 -11.512 0.674 1.00 0.00 N ATOM 498 CA PHE A 32 3.210 -11.558 1.561 1.00 0.00 C ATOM 499 C PHE A 32 2.049 -10.773 1.000 1.00 0.00 C ATOM 500 O PHE A 32 0.934 -10.882 1.471 1.00 0.00 O ATOM 501 CB PHE A 32 3.515 -11.036 2.958 1.00 0.00 C ATOM 502 CG PHE A 32 4.286 -11.978 3.818 1.00 0.00 C ATOM 503 CD1 PHE A 32 5.657 -12.088 3.711 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.621 -12.727 4.769 1.00 0.00 C ATOM 505 CE1 PHE A 32 6.360 -12.946 4.536 1.00 0.00 C ATOM 506 CE2 PHE A 32 4.315 -13.584 5.600 1.00 0.00 C ATOM 507 CZ PHE A 32 5.687 -13.695 5.483 1.00 0.00 C ATOM 0 H PHE A 32 5.120 -10.902 0.997 1.00 0.00 H new ATOM 0 HA PHE A 32 2.944 -12.613 1.633 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.075 -10.105 2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.575 -10.797 3.456 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.186 -11.499 2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.549 -12.642 4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.432 -13.031 4.441 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.786 -14.166 6.340 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.233 -14.366 6.130 1.00 0.00 H new ATOM 517 N SER A 33 2.323 -9.914 0.063 1.00 0.00 N ATOM 518 CA SER A 33 1.295 -9.066 -0.490 1.00 0.00 C ATOM 519 C SER A 33 0.298 -9.853 -1.333 1.00 0.00 C ATOM 520 O SER A 33 -0.753 -9.327 -1.692 1.00 0.00 O ATOM 521 CB SER A 33 1.931 -7.992 -1.317 1.00 0.00 C ATOM 522 OG SER A 33 2.824 -8.551 -2.265 1.00 0.00 O ATOM 0 H SER A 33 3.251 -9.778 -0.339 1.00 0.00 H new ATOM 0 HA SER A 33 0.741 -8.623 0.338 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.160 -7.418 -1.831 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.468 -7.298 -0.670 1.00 0.00 H new ATOM 0 HG SER A 33 3.742 -8.484 -1.929 1.00 0.00 H new ATOM 528 N ALA A 34 0.693 -11.053 -1.752 1.00 0.00 N ATOM 529 CA ALA A 34 -0.098 -11.857 -2.681 1.00 0.00 C ATOM 530 C ALA A 34 -1.564 -11.956 -2.259 1.00 0.00 C ATOM 531 O ALA A 34 -2.458 -11.829 -3.084 1.00 0.00 O ATOM 532 CB ALA A 34 0.509 -13.242 -2.811 1.00 0.00 C ATOM 0 H ALA A 34 1.565 -11.494 -1.459 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.077 -11.357 -3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.086 -13.836 -3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.529 -13.158 -3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.520 -13.727 -1.835 1.00 0.00 H new ATOM 538 N GLN A 35 -1.814 -12.149 -0.974 1.00 0.00 N ATOM 539 CA GLN A 35 -3.191 -12.212 -0.486 1.00 0.00 C ATOM 540 C GLN A 35 -3.789 -10.804 -0.434 1.00 0.00 C ATOM 541 O GLN A 35 -4.977 -10.608 -0.684 1.00 0.00 O ATOM 542 CB GLN A 35 -3.310 -12.872 0.913 1.00 0.00 C ATOM 543 CG GLN A 35 -2.556 -14.188 1.070 1.00 0.00 C ATOM 544 CD GLN A 35 -1.064 -13.989 1.273 1.00 0.00 C ATOM 545 OE1 GLN A 35 -0.668 -12.747 1.504 1.00 0.00 O flip ATOM 546 NE2 GLN A 35 -0.286 -14.942 1.273 1.00 0.00 N flip ATOM 0 H GLN A 35 -1.098 -12.264 -0.257 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.743 -12.838 -1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.945 -12.169 1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.364 -13.047 1.127 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.964 -14.736 1.919 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.719 -14.803 0.185 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.633 -15.884 1.090 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.706 -14.791 1.456 1.00 0.00 H new ATOM 555 N ALA A 36 -2.963 -9.842 -0.025 1.00 0.00 N ATOM 556 CA ALA A 36 -3.399 -8.464 0.182 1.00 0.00 C ATOM 557 C ALA A 36 -3.889 -7.823 -1.102 1.00 0.00 C ATOM 558 O ALA A 36 -4.937 -7.181 -1.123 1.00 0.00 O ATOM 559 CB ALA A 36 -2.264 -7.647 0.767 1.00 0.00 C ATOM 0 H ALA A 36 -1.974 -9.997 0.172 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.237 -8.485 0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.596 -6.620 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.962 -8.076 1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.417 -7.657 0.081 1.00 0.00 H new ATOM 565 N VAL A 37 -3.130 -8.012 -2.167 1.00 0.00 N ATOM 566 CA VAL A 37 -3.483 -7.470 -3.467 1.00 0.00 C ATOM 567 C VAL A 37 -4.853 -7.987 -3.894 1.00 0.00 C ATOM 568 O VAL A 37 -5.671 -7.238 -4.433 1.00 0.00 O ATOM 569 CB VAL A 37 -2.413 -7.825 -4.528 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.268 -9.326 -4.707 1.00 0.00 C ATOM 571 CG2 VAL A 37 -2.724 -7.162 -5.862 1.00 0.00 C ATOM 0 H VAL A 37 -2.258 -8.541 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.525 -6.384 -3.386 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.462 -7.440 -4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.507 -9.531 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.972 -9.778 -3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.220 -9.748 -5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.956 -7.428 -6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.696 -7.502 -6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.743 -6.080 -5.735 1.00 0.00 H new ATOM 581 N GLN A 38 -5.108 -9.260 -3.610 1.00 0.00 N ATOM 582 CA GLN A 38 -6.386 -9.867 -3.931 1.00 0.00 C ATOM 583 C GLN A 38 -7.486 -9.246 -3.081 1.00 0.00 C ATOM 584 O GLN A 38 -8.539 -8.896 -3.595 1.00 0.00 O ATOM 585 CB GLN A 38 -6.358 -11.384 -3.719 1.00 0.00 C ATOM 586 CG GLN A 38 -5.146 -12.089 -4.318 1.00 0.00 C ATOM 587 CD GLN A 38 -4.931 -11.861 -5.814 1.00 0.00 C ATOM 588 OE1 GLN A 38 -5.866 -11.205 -6.490 1.00 0.00 O flip ATOM 589 NE2 GLN A 38 -3.934 -12.321 -6.367 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.443 -9.888 -3.158 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.589 -9.679 -4.985 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.388 -11.588 -2.649 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.262 -11.814 -4.151 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.254 -11.759 -3.785 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.245 -13.160 -4.141 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.232 -12.821 -5.820 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.808 -12.203 -7.372 1.00 0.00 H new ATOM 598 N ALA A 39 -7.212 -9.074 -1.787 1.00 0.00 N ATOM 599 CA ALA A 39 -8.163 -8.448 -0.868 1.00 0.00 C ATOM 600 C ALA A 39 -8.514 -7.040 -1.323 1.00 0.00 C ATOM 601 O ALA A 39 -9.683 -6.666 -1.358 1.00 0.00 O ATOM 602 CB ALA A 39 -7.592 -8.394 0.540 1.00 0.00 C ATOM 0 H ALA A 39 -6.336 -9.361 -1.351 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.068 -9.056 -0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.315 -7.925 1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.381 -9.406 0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.670 -7.812 0.537 1.00 0.00 H new ATOM 608 N LEU A 40 -7.485 -6.269 -1.660 1.00 0.00 N ATOM 609 CA LEU A 40 -7.666 -4.893 -2.103 1.00 0.00 C ATOM 610 C LEU A 40 -8.490 -4.838 -3.359 1.00 0.00 C ATOM 611 O LEU A 40 -9.444 -4.092 -3.452 1.00 0.00 O ATOM 612 CB LEU A 40 -6.331 -4.257 -2.424 1.00 0.00 C ATOM 613 CG LEU A 40 -6.009 -2.979 -1.645 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.712 -2.351 -2.139 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.158 -1.983 -1.737 1.00 0.00 C ATOM 0 H LEU A 40 -6.513 -6.577 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.165 -4.362 -1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.544 -4.987 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.303 -4.030 -3.490 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.876 -3.250 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.506 -1.445 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.892 -3.057 -2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.808 -2.101 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.906 -1.083 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.331 -1.723 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.061 -2.429 -1.320 1.00 0.00 H new ATOM 627 N ALA A 41 -8.084 -5.609 -4.343 1.00 0.00 N ATOM 628 CA ALA A 41 -8.771 -5.621 -5.615 1.00 0.00 C ATOM 629 C ALA A 41 -10.185 -6.182 -5.438 1.00 0.00 C ATOM 630 O ALA A 41 -11.093 -5.873 -6.206 1.00 0.00 O ATOM 631 CB ALA A 41 -7.992 -6.429 -6.640 1.00 0.00 C ATOM 0 H ALA A 41 -7.281 -6.236 -4.287 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.845 -4.598 -5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.527 -6.425 -7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.005 -5.987 -6.778 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.884 -7.455 -6.289 1.00 0.00 H new ATOM 637 N ALA A 42 -10.342 -7.024 -4.417 1.00 0.00 N ATOM 638 CA ALA A 42 -11.636 -7.669 -4.114 1.00 0.00 C ATOM 639 C ALA A 42 -12.633 -6.663 -3.546 1.00 0.00 C ATOM 640 O ALA A 42 -13.722 -6.474 -4.089 1.00 0.00 O ATOM 641 CB ALA A 42 -11.456 -8.822 -3.139 1.00 0.00 C ATOM 0 H ALA A 42 -9.590 -7.282 -3.778 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.031 -8.061 -5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.424 -9.279 -2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.789 -9.566 -3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.026 -8.449 -2.210 1.00 0.00 H new ATOM 647 N CYS A 43 -12.167 -5.904 -2.562 1.00 0.00 N ATOM 648 CA CYS A 43 -12.898 -4.759 -2.026 1.00 0.00 C ATOM 649 C CYS A 43 -12.901 -3.644 -3.070 1.00 0.00 C ATOM 650 O CYS A 43 -13.332 -2.524 -2.806 1.00 0.00 O ATOM 651 CB CYS A 43 -12.261 -4.294 -0.729 1.00 0.00 C ATOM 652 SG CYS A 43 -10.607 -3.588 -0.874 1.00 0.00 S ATOM 0 H CYS A 43 -11.267 -6.065 -2.110 1.00 0.00 H new ATOM 0 HA CYS A 43 -13.927 -5.042 -1.806 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -12.914 -3.550 -0.272 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.215 -5.141 -0.045 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.255 -3.560 -2.125 1.00 0.00 H new ATOM 658 N GLY A 44 -12.088 -3.940 -4.073 1.00 0.00 N ATOM 659 CA GLY A 44 -11.524 -3.013 -5.034 1.00 0.00 C ATOM 660 C GLY A 44 -12.043 -1.608 -5.081 1.00 0.00 C ATOM 661 O GLY A 44 -13.130 -1.311 -5.587 1.00 0.00 O ATOM 0 H GLY A 44 -11.787 -4.899 -4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.451 -2.961 -4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.657 -3.446 -6.025 1.00 0.00 H new ATOM 665 N GLU A 45 -11.065 -0.760 -4.845 1.00 0.00 N ATOM 666 CA GLU A 45 -11.117 0.643 -5.118 1.00 0.00 C ATOM 667 C GLU A 45 -9.803 0.927 -5.810 1.00 0.00 C ATOM 668 O GLU A 45 -8.813 0.263 -5.496 1.00 0.00 O ATOM 669 CB GLU A 45 -11.213 1.477 -3.833 1.00 0.00 C ATOM 670 CG GLU A 45 -12.230 0.968 -2.825 1.00 0.00 C ATOM 671 CD GLU A 45 -11.647 -0.011 -1.817 1.00 0.00 C ATOM 672 OE1 GLU A 45 -11.041 -1.023 -2.215 1.00 0.00 O ATOM 673 OE2 GLU A 45 -11.811 0.242 -0.616 1.00 0.00 O ATOM 0 H GLU A 45 -10.176 -1.052 -4.439 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.994 0.903 -5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.232 1.504 -3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.466 2.503 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.656 1.817 -2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.048 0.484 -3.359 1.00 0.00 H new ATOM 680 N ARG A 46 -9.806 1.734 -6.855 1.00 0.00 N ATOM 681 CA ARG A 46 -8.604 1.870 -7.665 1.00 0.00 C ATOM 682 C ARG A 46 -7.431 2.299 -6.811 1.00 0.00 C ATOM 683 O ARG A 46 -7.577 3.111 -5.893 1.00 0.00 O ATOM 684 CB ARG A 46 -8.826 2.829 -8.816 1.00 0.00 C ATOM 685 CG ARG A 46 -9.877 2.320 -9.767 1.00 0.00 C ATOM 686 CD ARG A 46 -9.486 0.982 -10.372 1.00 0.00 C ATOM 687 NE ARG A 46 -10.556 0.430 -11.197 1.00 0.00 N ATOM 688 CZ ARG A 46 -10.475 -0.726 -11.850 1.00 0.00 C ATOM 689 NH1 ARG A 46 -9.349 -1.435 -11.822 1.00 0.00 N ATOM 690 NH2 ARG A 46 -11.519 -1.165 -12.544 1.00 0.00 N ATOM 0 H ARG A 46 -10.603 2.293 -7.160 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.371 0.895 -8.092 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.127 3.802 -8.427 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.889 2.977 -9.353 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.826 2.218 -9.240 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.031 3.048 -10.563 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.587 1.104 -10.976 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.242 0.280 -9.575 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.421 0.965 -11.278 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.544 -1.092 -11.298 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.292 -2.321 -12.324 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.378 -0.616 -12.575 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.461 -2.051 -13.046 1.00 0.00 H new ATOM 704 N PHE A 47 -6.349 1.560 -6.957 1.00 0.00 N ATOM 705 CA PHE A 47 -5.255 1.657 -6.017 1.00 0.00 C ATOM 706 C PHE A 47 -3.917 1.585 -6.729 1.00 0.00 C ATOM 707 O PHE A 47 -3.761 0.885 -7.733 1.00 0.00 O ATOM 708 CB PHE A 47 -5.373 0.545 -4.962 1.00 0.00 C ATOM 709 CG PHE A 47 -4.979 -0.844 -5.412 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.632 -1.214 -5.445 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.943 -1.808 -5.720 1.00 0.00 C ATOM 712 CE1 PHE A 47 -3.259 -2.499 -5.789 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.563 -3.097 -6.054 1.00 0.00 C ATOM 714 CZ PHE A 47 -4.224 -3.441 -6.089 1.00 0.00 C ATOM 0 H PHE A 47 -6.206 0.890 -7.713 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.311 2.624 -5.517 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.755 0.817 -4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.405 0.512 -4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.873 -0.486 -5.199 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.990 -1.546 -5.697 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.213 -2.767 -5.823 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.315 -3.836 -6.288 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.932 -4.447 -6.351 1.00 0.00 H new ATOM 724 N ALA A 48 -2.947 2.274 -6.172 1.00 0.00 N ATOM 725 CA ALA A 48 -1.601 2.253 -6.695 1.00 0.00 C ATOM 726 C ALA A 48 -0.727 1.374 -5.832 1.00 0.00 C ATOM 727 O ALA A 48 -1.024 1.161 -4.662 1.00 0.00 O ATOM 728 CB ALA A 48 -1.022 3.653 -6.802 1.00 0.00 C ATOM 0 H ALA A 48 -3.068 2.862 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.634 1.839 -7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.008 3.598 -7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.641 4.253 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.000 4.114 -5.815 1.00 0.00 H new ATOM 734 N TYR A 49 0.305 0.815 -6.418 1.00 0.00 N ATOM 735 CA TYR A 49 1.164 -0.097 -5.702 1.00 0.00 C ATOM 736 C TYR A 49 2.619 0.240 -6.038 1.00 0.00 C ATOM 737 O TYR A 49 2.906 0.758 -7.116 1.00 0.00 O ATOM 738 CB TYR A 49 0.840 -1.549 -6.092 1.00 0.00 C ATOM 739 CG TYR A 49 1.529 -2.011 -7.347 1.00 0.00 C ATOM 740 CD1 TYR A 49 2.844 -2.431 -7.289 1.00 0.00 C ATOM 741 CD2 TYR A 49 0.895 -1.986 -8.578 1.00 0.00 C ATOM 742 CE1 TYR A 49 3.521 -2.818 -8.418 1.00 0.00 C ATOM 743 CE2 TYR A 49 1.562 -2.381 -9.721 1.00 0.00 C ATOM 744 CZ TYR A 49 2.876 -2.795 -9.636 1.00 0.00 C ATOM 745 OH TYR A 49 3.549 -3.177 -10.771 1.00 0.00 O ATOM 0 H TYR A 49 0.570 0.976 -7.390 1.00 0.00 H new ATOM 0 HA TYR A 49 1.004 0.005 -4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.123 -2.207 -5.271 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.238 -1.648 -6.223 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.350 -2.455 -6.335 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.131 -1.654 -8.645 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.550 -3.138 -8.353 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.058 -2.366 -10.676 1.00 0.00 H new ATOM 0 HH TYR A 49 2.952 -3.104 -11.545 1.00 0.00 H new ATOM 755 N VAL A 50 3.532 -0.067 -5.135 1.00 0.00 N ATOM 756 CA VAL A 50 4.943 0.183 -5.366 1.00 0.00 C ATOM 757 C VAL A 50 5.747 -1.075 -5.091 1.00 0.00 C ATOM 758 O VAL A 50 5.622 -1.675 -4.024 1.00 0.00 O ATOM 759 CB VAL A 50 5.475 1.317 -4.458 1.00 0.00 C ATOM 760 CG1 VAL A 50 6.942 1.592 -4.731 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.654 2.581 -4.634 1.00 0.00 C ATOM 0 H VAL A 50 3.321 -0.491 -4.232 1.00 0.00 H new ATOM 0 HA VAL A 50 5.054 0.484 -6.408 1.00 0.00 H new ATOM 0 HB VAL A 50 5.379 0.987 -3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.289 2.393 -4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.523 0.690 -4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.069 1.890 -5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.047 3.364 -3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.709 2.909 -5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.615 2.380 -4.371 1.00 0.00 H new ATOM 771 N ASP A 51 6.624 -1.425 -6.021 1.00 0.00 N ATOM 772 CA ASP A 51 7.512 -2.554 -5.824 1.00 0.00 C ATOM 773 C ASP A 51 8.646 -2.178 -4.879 1.00 0.00 C ATOM 774 O ASP A 51 9.212 -1.090 -4.969 1.00 0.00 O ATOM 775 CB ASP A 51 8.041 -3.101 -7.164 1.00 0.00 C ATOM 776 CG ASP A 51 8.773 -2.080 -8.025 1.00 0.00 C ATOM 777 OD1 ASP A 51 9.849 -1.596 -7.624 1.00 0.00 O ATOM 778 OD2 ASP A 51 8.272 -1.769 -9.126 1.00 0.00 O ATOM 0 H ASP A 51 6.737 -0.944 -6.914 1.00 0.00 H new ATOM 0 HA ASP A 51 6.941 -3.359 -5.362 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.715 -3.933 -6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.202 -3.502 -7.734 1.00 0.00 H new ATOM 783 N ILE A 52 8.895 -3.037 -3.902 1.00 0.00 N ATOM 784 CA ILE A 52 9.874 -2.751 -2.860 1.00 0.00 C ATOM 785 C ILE A 52 10.575 -3.999 -2.353 1.00 0.00 C ATOM 786 O ILE A 52 11.782 -3.975 -2.176 1.00 0.00 O ATOM 787 CB ILE A 52 9.296 -1.943 -1.675 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.802 -2.181 -1.505 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.585 -0.469 -1.832 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.448 -3.538 -0.975 1.00 0.00 C ATOM 0 H ILE A 52 8.432 -3.941 -3.808 1.00 0.00 H new ATOM 0 HA ILE A 52 10.616 -2.121 -3.350 1.00 0.00 H new ATOM 0 HB ILE A 52 9.792 -2.297 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.400 -1.425 -0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.312 -2.041 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.168 0.076 -0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.663 -0.312 -1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.133 -0.106 -2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.365 -3.622 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.816 -4.303 -1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.905 -3.677 0.005 1.00 0.00 H new ATOM 802 N LEU A 53 9.871 -5.126 -2.234 1.00 0.00 N ATOM 803 CA LEU A 53 10.554 -6.375 -1.876 1.00 0.00 C ATOM 804 C LEU A 53 11.513 -6.791 -2.991 1.00 0.00 C ATOM 805 O LEU A 53 12.314 -7.706 -2.831 1.00 0.00 O ATOM 806 CB LEU A 53 9.597 -7.537 -1.558 1.00 0.00 C ATOM 807 CG LEU A 53 8.662 -7.348 -0.359 1.00 0.00 C ATOM 808 CD1 LEU A 53 9.285 -6.408 0.650 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.285 -6.869 -0.783 1.00 0.00 C ATOM 0 H LEU A 53 8.864 -5.204 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 53 11.104 -6.164 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.985 -7.726 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.194 -8.433 -1.386 1.00 0.00 H new ATOM 0 HG LEU A 53 8.524 -8.321 0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.610 -6.283 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.231 -6.823 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.464 -5.440 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.655 -6.748 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.375 -5.913 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.835 -7.602 -1.453 1.00 0.00 H new ATOM 821 N GLN A 54 11.441 -6.075 -4.102 1.00 0.00 N ATOM 822 CA GLN A 54 12.316 -6.313 -5.236 1.00 0.00 C ATOM 823 C GLN A 54 13.519 -5.356 -5.196 1.00 0.00 C ATOM 824 O GLN A 54 14.658 -5.787 -5.357 1.00 0.00 O ATOM 825 CB GLN A 54 11.504 -6.198 -6.547 1.00 0.00 C ATOM 826 CG GLN A 54 12.326 -6.329 -7.825 1.00 0.00 C ATOM 827 CD GLN A 54 12.931 -5.014 -8.291 1.00 0.00 C ATOM 828 OE1 GLN A 54 12.431 -3.907 -7.760 1.00 0.00 O flip ATOM 829 NE2 GLN A 54 13.786 -4.992 -9.174 1.00 0.00 N flip ATOM 0 H GLN A 54 10.776 -5.315 -4.242 1.00 0.00 H new ATOM 0 HA GLN A 54 12.722 -7.324 -5.188 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.732 -6.968 -6.548 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.993 -5.235 -6.558 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.126 -7.051 -7.661 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.692 -6.730 -8.616 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.146 -5.866 -9.557 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.135 -4.100 -9.523 1.00 0.00 H new ATOM 838 N ASN A 55 13.276 -4.083 -4.880 1.00 0.00 N ATOM 839 CA ASN A 55 14.370 -3.114 -4.709 1.00 0.00 C ATOM 840 C ASN A 55 15.047 -3.317 -3.363 1.00 0.00 C ATOM 841 O ASN A 55 14.397 -3.240 -2.334 1.00 0.00 O ATOM 842 CB ASN A 55 13.848 -1.675 -4.782 1.00 0.00 C ATOM 843 CG ASN A 55 13.148 -1.366 -6.085 1.00 0.00 C ATOM 844 OD1 ASN A 55 13.737 -1.460 -7.163 1.00 0.00 O ATOM 845 ND2 ASN A 55 11.883 -1.000 -5.992 1.00 0.00 N ATOM 0 H ASN A 55 12.342 -3.697 -4.738 1.00 0.00 H new ATOM 0 HA ASN A 55 15.084 -3.278 -5.516 1.00 0.00 H new ATOM 0 HB2 ASN A 55 13.158 -1.502 -3.956 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.682 -0.985 -4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.352 -0.781 -6.835 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.437 -0.936 -5.077 1.00 0.00 H new ATOM 852 N PRO A 56 16.362 -3.553 -3.343 1.00 0.00 N ATOM 853 CA PRO A 56 17.101 -3.743 -2.091 1.00 0.00 C ATOM 854 C PRO A 56 17.089 -2.497 -1.201 1.00 0.00 C ATOM 855 O PRO A 56 16.959 -2.596 0.021 1.00 0.00 O ATOM 856 CB PRO A 56 18.528 -4.061 -2.557 1.00 0.00 C ATOM 857 CG PRO A 56 18.616 -3.523 -3.945 1.00 0.00 C ATOM 858 CD PRO A 56 17.236 -3.641 -4.526 1.00 0.00 C ATOM 0 HA PRO A 56 16.656 -4.526 -1.478 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.268 -3.594 -1.906 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.718 -5.134 -2.538 1.00 0.00 H new ATOM 0 HG2 PRO A 56 18.949 -2.485 -3.940 1.00 0.00 H new ATOM 0 HG3 PRO A 56 19.337 -4.087 -4.536 1.00 0.00 H new ATOM 0 HD2 PRO A 56 17.030 -2.843 -5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 56 17.102 -4.584 -5.056 1.00 0.00 H new ATOM 866 N ASP A 57 17.330 -1.343 -1.812 1.00 0.00 N ATOM 867 CA ASP A 57 17.465 -0.089 -1.067 1.00 0.00 C ATOM 868 C ASP A 57 16.138 0.372 -0.482 1.00 0.00 C ATOM 869 O ASP A 57 16.033 0.648 0.713 1.00 0.00 O ATOM 870 CB ASP A 57 18.005 1.021 -1.976 1.00 0.00 C ATOM 871 CG ASP A 57 19.371 0.720 -2.551 1.00 0.00 C ATOM 872 OD1 ASP A 57 19.515 -0.292 -3.265 1.00 0.00 O ATOM 873 OD2 ASP A 57 20.300 1.517 -2.320 1.00 0.00 O ATOM 0 H ASP A 57 17.437 -1.246 -2.822 1.00 0.00 H new ATOM 0 HA ASP A 57 18.161 -0.284 -0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 57 17.303 1.183 -2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 57 18.055 1.951 -1.410 1.00 0.00 H new ATOM 878 N ILE A 58 15.154 0.536 -1.356 1.00 0.00 N ATOM 879 CA ILE A 58 13.850 1.069 -0.969 1.00 0.00 C ATOM 880 C ILE A 58 13.179 0.151 0.053 1.00 0.00 C ATOM 881 O ILE A 58 12.578 0.610 1.017 1.00 0.00 O ATOM 882 CB ILE A 58 12.940 1.252 -2.203 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.683 2.020 -3.298 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.680 2.012 -1.819 1.00 0.00 C ATOM 885 CD1 ILE A 58 12.872 2.228 -4.562 1.00 0.00 C ATOM 0 H ILE A 58 15.233 0.306 -2.347 1.00 0.00 H new ATOM 0 HA ILE A 58 14.007 2.046 -0.512 1.00 0.00 H new ATOM 0 HB ILE A 58 12.665 0.266 -2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.983 2.992 -2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.597 1.482 -3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 58 11.047 2.134 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.137 1.455 -1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.951 2.993 -1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.467 2.780 -5.290 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.594 1.260 -4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.971 2.794 -4.327 1.00 0.00 H new ATOM 897 N ARG A 59 13.360 -1.151 -0.135 1.00 0.00 N ATOM 898 CA ARG A 59 12.851 -2.169 0.785 1.00 0.00 C ATOM 899 C ARG A 59 13.287 -1.894 2.222 1.00 0.00 C ATOM 900 O ARG A 59 12.626 -2.316 3.166 1.00 0.00 O ATOM 901 CB ARG A 59 13.358 -3.539 0.331 1.00 0.00 C ATOM 902 CG ARG A 59 12.863 -4.730 1.138 1.00 0.00 C ATOM 903 CD ARG A 59 13.321 -6.027 0.487 1.00 0.00 C ATOM 904 NE ARG A 59 12.885 -7.223 1.210 1.00 0.00 N ATOM 905 CZ ARG A 59 13.082 -8.465 0.762 1.00 0.00 C ATOM 906 NH1 ARG A 59 13.658 -8.660 -0.418 1.00 0.00 N ATOM 907 NH2 ARG A 59 12.702 -9.509 1.489 1.00 0.00 N ATOM 0 H ARG A 59 13.866 -1.535 -0.933 1.00 0.00 H new ATOM 0 HA ARG A 59 11.761 -2.147 0.767 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.070 -3.685 -0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.448 -3.531 0.362 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.243 -4.672 2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.775 -4.710 1.201 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.939 -6.068 -0.533 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.409 -6.028 0.420 1.00 0.00 H new ATOM 0 HE ARG A 59 12.406 -7.101 2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.950 -7.861 -0.981 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.809 -9.609 -0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.257 -9.364 2.395 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.855 -10.456 1.141 1.00 0.00 H new ATOM 921 N ALA A 60 14.464 -1.305 2.375 1.00 0.00 N ATOM 922 CA ALA A 60 15.049 -1.111 3.688 1.00 0.00 C ATOM 923 C ALA A 60 14.622 0.193 4.380 1.00 0.00 C ATOM 924 O ALA A 60 14.533 0.211 5.597 1.00 0.00 O ATOM 925 CB ALA A 60 16.565 -1.176 3.590 1.00 0.00 C ATOM 0 H ALA A 60 15.031 -0.954 1.603 1.00 0.00 H new ATOM 0 HA ALA A 60 14.669 -1.919 4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 60 17.000 -1.030 4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 60 16.863 -2.150 3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.920 -0.395 2.918 1.00 0.00 H new ATOM 931 N GLU A 61 14.672 1.317 3.662 1.00 0.00 N ATOM 932 CA GLU A 61 14.645 2.636 4.330 1.00 0.00 C ATOM 933 C GLU A 61 13.265 3.080 4.839 1.00 0.00 C ATOM 934 O GLU A 61 13.126 3.411 6.017 1.00 0.00 O ATOM 935 CB GLU A 61 15.161 3.704 3.366 1.00 0.00 C ATOM 936 CG GLU A 61 16.601 3.499 2.922 1.00 0.00 C ATOM 937 CD GLU A 61 17.022 4.501 1.867 1.00 0.00 C ATOM 938 OE1 GLU A 61 16.453 4.469 0.759 1.00 0.00 O ATOM 939 OE2 GLU A 61 17.908 5.339 2.142 1.00 0.00 O ATOM 0 H GLU A 61 14.730 1.351 2.644 1.00 0.00 H new ATOM 0 HA GLU A 61 15.280 2.524 5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.520 3.722 2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 61 15.075 4.680 3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.261 3.584 3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.718 2.489 2.529 1.00 0.00 H new ATOM 946 N LEU A 62 12.282 3.224 3.950 1.00 0.00 N ATOM 947 CA LEU A 62 10.992 3.795 4.363 1.00 0.00 C ATOM 948 C LEU A 62 10.188 2.895 5.309 1.00 0.00 C ATOM 949 O LEU A 62 9.462 3.418 6.147 1.00 0.00 O ATOM 950 CB LEU A 62 10.080 4.208 3.199 1.00 0.00 C ATOM 951 CG LEU A 62 9.549 3.069 2.338 1.00 0.00 C ATOM 952 CD1 LEU A 62 8.261 3.473 1.650 1.00 0.00 C ATOM 953 CD2 LEU A 62 10.578 2.688 1.306 1.00 0.00 C ATOM 0 H LEU A 62 12.345 2.963 2.966 1.00 0.00 H new ATOM 0 HA LEU A 62 11.298 4.693 4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.231 4.758 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.630 4.897 2.558 1.00 0.00 H new ATOM 0 HG LEU A 62 9.345 2.214 2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.899 2.645 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.512 3.726 2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.444 4.339 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.194 1.873 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.794 3.548 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.492 2.367 1.805 1.00 0.00 H new ATOM 965 N PRO A 63 10.244 1.547 5.202 1.00 0.00 N ATOM 966 CA PRO A 63 9.459 0.681 6.081 1.00 0.00 C ATOM 967 C PRO A 63 9.723 1.011 7.537 1.00 0.00 C ATOM 968 O PRO A 63 8.794 1.151 8.335 1.00 0.00 O ATOM 969 CB PRO A 63 9.959 -0.729 5.752 1.00 0.00 C ATOM 970 CG PRO A 63 11.218 -0.528 4.993 1.00 0.00 C ATOM 971 CD PRO A 63 11.025 0.750 4.246 1.00 0.00 C ATOM 0 HA PRO A 63 8.385 0.796 5.931 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.134 -1.306 6.660 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.226 -1.279 5.161 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.076 -0.467 5.663 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.404 -1.358 4.312 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.974 1.225 3.998 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.490 0.598 3.308 1.00 0.00 H new ATOM 979 N LYS A 64 10.998 1.235 7.828 1.00 0.00 N ATOM 980 CA LYS A 64 11.454 1.665 9.132 1.00 0.00 C ATOM 981 C LYS A 64 10.692 2.890 9.606 1.00 0.00 C ATOM 982 O LYS A 64 10.329 2.998 10.779 1.00 0.00 O ATOM 983 CB LYS A 64 12.933 1.968 9.025 1.00 0.00 C ATOM 984 CG LYS A 64 13.740 0.728 8.714 1.00 0.00 C ATOM 985 CD LYS A 64 15.128 1.078 8.225 1.00 0.00 C ATOM 986 CE LYS A 64 15.872 2.000 9.167 1.00 0.00 C ATOM 987 NZ LYS A 64 16.111 1.374 10.493 1.00 0.00 N ATOM 0 H LYS A 64 11.751 1.120 7.150 1.00 0.00 H new ATOM 0 HA LYS A 64 11.276 0.877 9.864 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.096 2.712 8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.283 2.404 9.961 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.813 0.107 9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.224 0.138 7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.703 0.161 8.093 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.054 1.551 7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.827 2.278 8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.302 2.919 9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.623 2.041 11.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.200 1.131 10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.678 0.510 10.372 1.00 0.00 H new ATOM 1001 N TYR A 65 10.448 3.807 8.682 1.00 0.00 N ATOM 1002 CA TYR A 65 9.723 5.022 8.988 1.00 0.00 C ATOM 1003 C TYR A 65 8.264 4.704 9.303 1.00 0.00 C ATOM 1004 O TYR A 65 7.685 5.314 10.206 1.00 0.00 O ATOM 1005 CB TYR A 65 9.887 6.058 7.842 1.00 0.00 C ATOM 1006 CG TYR A 65 8.659 6.397 6.988 1.00 0.00 C ATOM 1007 CD1 TYR A 65 7.502 6.920 7.557 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.677 6.220 5.602 1.00 0.00 C ATOM 1009 CE1 TYR A 65 6.410 7.253 6.784 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.578 6.549 4.822 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.451 7.066 5.423 1.00 0.00 C ATOM 1012 OH TYR A 65 5.368 7.418 4.657 1.00 0.00 O ATOM 0 H TYR A 65 10.745 3.728 7.709 1.00 0.00 H new ATOM 0 HA TYR A 65 10.144 5.481 9.883 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.252 6.986 8.282 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.667 5.694 7.173 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.458 7.068 8.626 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.562 5.820 5.130 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.524 7.660 7.247 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.606 6.401 3.753 1.00 0.00 H new ATOM 0 HH TYR A 65 4.632 6.793 4.825 1.00 0.00 H new ATOM 1022 N ALA A 66 7.628 3.833 8.512 1.00 0.00 N ATOM 1023 CA ALA A 66 6.208 3.598 8.711 1.00 0.00 C ATOM 1024 C ALA A 66 5.918 2.705 9.919 1.00 0.00 C ATOM 1025 O ALA A 66 5.305 3.160 10.886 1.00 0.00 O ATOM 1026 CB ALA A 66 5.650 2.937 7.473 1.00 0.00 C ATOM 0 H ALA A 66 8.060 3.300 7.757 1.00 0.00 H new ATOM 0 HA ALA A 66 5.738 4.563 8.899 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.584 2.754 7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.801 3.589 6.613 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.162 1.990 7.304 1.00 0.00 H new ATOM 1032 N ASN A 67 6.482 1.496 9.922 1.00 0.00 N ATOM 1033 CA ASN A 67 6.410 0.603 11.082 1.00 0.00 C ATOM 1034 C ASN A 67 7.250 -0.649 10.830 1.00 0.00 C ATOM 1035 O ASN A 67 8.148 -1.002 11.599 1.00 0.00 O ATOM 1036 CB ASN A 67 4.951 0.221 11.364 1.00 0.00 C ATOM 1037 CG ASN A 67 4.775 -0.685 12.571 1.00 0.00 C ATOM 1038 OD1 ASN A 67 5.272 -1.812 12.609 1.00 0.00 O ATOM 1039 ND2 ASN A 67 4.051 -0.198 13.564 1.00 0.00 N ATOM 0 H ASN A 67 6.996 1.110 9.130 1.00 0.00 H new ATOM 0 HA ASN A 67 6.808 1.121 11.955 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.370 1.131 11.517 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.539 -0.276 10.486 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.887 -0.760 14.399 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.656 0.740 13.495 1.00 0.00 H new ATOM 1046 N TRP A 68 6.866 -1.334 9.751 1.00 0.00 N ATOM 1047 CA TRP A 68 7.450 -2.606 9.324 1.00 0.00 C ATOM 1048 C TRP A 68 8.951 -2.529 9.079 1.00 0.00 C ATOM 1049 O TRP A 68 9.446 -1.546 8.558 1.00 0.00 O ATOM 1050 CB TRP A 68 6.789 -3.079 8.023 1.00 0.00 C ATOM 1051 CG TRP A 68 5.450 -3.749 8.163 1.00 0.00 C ATOM 1052 CD1 TRP A 68 5.148 -4.999 7.714 1.00 0.00 C ATOM 1053 CD2 TRP A 68 4.237 -3.224 8.727 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.836 -5.296 7.979 1.00 0.00 N ATOM 1055 CE2 TRP A 68 3.256 -4.229 8.602 1.00 0.00 C ATOM 1056 CE3 TRP A 68 3.882 -2.020 9.331 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.952 -4.061 9.058 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.586 -1.855 9.783 1.00 0.00 C ATOM 1059 CH2 TRP A 68 1.636 -2.870 9.646 1.00 0.00 C ATOM 0 H TRP A 68 6.121 -1.010 9.134 1.00 0.00 H new ATOM 0 HA TRP A 68 7.272 -3.304 10.142 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.674 -2.218 7.365 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.468 -3.772 7.526 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.843 -5.662 7.220 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.369 -6.173 7.748 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.608 -1.228 9.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.216 -4.844 8.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 2.303 -0.924 10.251 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.633 -2.710 10.012 1.00 0.00 H new ATOM 1070 N PRO A 69 9.670 -3.638 9.309 1.00 0.00 N ATOM 1071 CA PRO A 69 11.084 -3.748 8.941 1.00 0.00 C ATOM 1072 C PRO A 69 11.247 -3.615 7.428 1.00 0.00 C ATOM 1073 O PRO A 69 12.177 -2.978 6.935 1.00 0.00 O ATOM 1074 CB PRO A 69 11.487 -5.155 9.406 1.00 0.00 C ATOM 1075 CG PRO A 69 10.365 -5.628 10.272 1.00 0.00 C ATOM 1076 CD PRO A 69 9.134 -4.920 9.785 1.00 0.00 C ATOM 0 HA PRO A 69 11.699 -2.969 9.392 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.634 -5.822 8.556 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.426 -5.131 9.959 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.247 -6.709 10.200 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.558 -5.398 11.320 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.637 -5.473 8.988 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.403 -4.783 10.582 1.00 0.00 H new ATOM 1084 N THR A 70 10.279 -4.180 6.713 1.00 0.00 N ATOM 1085 CA THR A 70 10.205 -4.114 5.258 1.00 0.00 C ATOM 1086 C THR A 70 8.743 -3.956 4.833 1.00 0.00 C ATOM 1087 O THR A 70 8.074 -3.028 5.268 1.00 0.00 O ATOM 1088 CB THR A 70 10.837 -5.359 4.602 1.00 0.00 C ATOM 1089 OG1 THR A 70 10.212 -6.553 5.090 1.00 0.00 O ATOM 1090 CG2 THR A 70 12.331 -5.411 4.882 1.00 0.00 C ATOM 0 H THR A 70 9.513 -4.704 7.135 1.00 0.00 H new ATOM 0 HA THR A 70 10.776 -3.250 4.918 1.00 0.00 H new ATOM 0 HB THR A 70 10.682 -5.291 3.525 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.622 -7.334 4.664 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.759 -6.296 4.411 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.808 -4.518 4.478 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.498 -5.456 5.958 1.00 0.00 H new ATOM 1098 N PHE A 71 8.238 -4.842 3.989 1.00 0.00 N ATOM 1099 CA PHE A 71 6.853 -4.750 3.535 1.00 0.00 C ATOM 1100 C PHE A 71 6.270 -6.166 3.447 1.00 0.00 C ATOM 1101 O PHE A 71 6.930 -7.107 3.887 1.00 0.00 O ATOM 1102 CB PHE A 71 6.794 -4.027 2.177 1.00 0.00 C ATOM 1103 CG PHE A 71 7.422 -2.659 2.177 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.798 -2.517 2.104 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.642 -1.520 2.282 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.380 -1.274 2.128 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.222 -0.269 2.306 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.591 -0.148 2.230 1.00 0.00 C ATOM 0 H PHE A 71 8.760 -5.630 3.605 1.00 0.00 H new ATOM 0 HA PHE A 71 6.258 -4.170 4.241 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.292 -4.643 1.428 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.752 -3.936 1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.421 -3.396 2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.568 -1.612 2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.454 -1.178 2.067 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.604 0.613 2.384 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.048 0.830 2.250 1.00 0.00 H new ATOM 1118 N PRO A 72 5.062 -6.396 2.873 1.00 0.00 N ATOM 1119 CA PRO A 72 4.161 -5.375 2.297 1.00 0.00 C ATOM 1120 C PRO A 72 3.516 -4.452 3.327 1.00 0.00 C ATOM 1121 O PRO A 72 3.260 -4.849 4.465 1.00 0.00 O ATOM 1122 CB PRO A 72 3.083 -6.202 1.597 1.00 0.00 C ATOM 1123 CG PRO A 72 3.056 -7.487 2.339 1.00 0.00 C ATOM 1124 CD PRO A 72 4.469 -7.742 2.780 1.00 0.00 C ATOM 0 HA PRO A 72 4.718 -4.702 1.645 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.115 -5.703 1.633 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.323 -6.357 0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.385 -7.428 3.196 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.693 -8.296 1.705 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.501 -8.259 3.739 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.004 -8.365 2.064 1.00 0.00 H new ATOM 1132 N GLN A 73 3.160 -3.250 2.875 1.00 0.00 N ATOM 1133 CA GLN A 73 2.430 -2.290 3.698 1.00 0.00 C ATOM 1134 C GLN A 73 1.458 -1.498 2.824 1.00 0.00 C ATOM 1135 O GLN A 73 1.811 -1.057 1.730 1.00 0.00 O ATOM 1136 CB GLN A 73 3.370 -1.303 4.382 1.00 0.00 C ATOM 1137 CG GLN A 73 4.476 -1.930 5.208 1.00 0.00 C ATOM 1138 CD GLN A 73 5.311 -0.879 5.914 1.00 0.00 C ATOM 1139 OE1 GLN A 73 4.802 -0.105 6.718 1.00 0.00 O ATOM 1140 NE2 GLN A 73 6.597 -0.847 5.631 1.00 0.00 N ATOM 0 H GLN A 73 3.369 -2.917 1.934 1.00 0.00 H new ATOM 0 HA GLN A 73 1.896 -2.855 4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.823 -0.669 3.619 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.780 -0.653 5.028 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.042 -2.606 5.945 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.117 -2.531 4.563 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.987 -1.506 4.957 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.202 -0.164 6.086 1.00 0.00 H new ATOM 1149 N LEU A 74 0.238 -1.344 3.310 1.00 0.00 N ATOM 1150 CA LEU A 74 -0.810 -0.625 2.591 1.00 0.00 C ATOM 1151 C LEU A 74 -0.921 0.803 3.119 1.00 0.00 C ATOM 1152 O LEU A 74 -0.870 1.028 4.330 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.132 -1.400 2.740 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.373 -0.875 1.987 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -3.916 0.413 2.593 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.052 -0.668 0.517 1.00 0.00 C ATOM 0 H LEU A 74 -0.058 -1.712 4.214 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.568 -0.557 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.955 -2.426 2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.378 -1.439 3.801 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.151 -1.632 2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.788 0.742 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.201 0.235 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.147 1.185 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.937 -0.298 -0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.245 0.058 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.743 -1.615 0.075 1.00 0.00 H new ATOM 1168 N TRP A 75 -1.071 1.755 2.208 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.191 3.157 2.562 1.00 0.00 C ATOM 1170 C TRP A 75 -2.476 3.761 2.000 1.00 0.00 C ATOM 1171 O TRP A 75 -2.795 3.602 0.821 1.00 0.00 O ATOM 1172 CB TRP A 75 0.014 3.939 2.047 1.00 0.00 C ATOM 1173 CG TRP A 75 1.315 3.488 2.632 1.00 0.00 C ATOM 1174 CD1 TRP A 75 2.029 2.357 2.337 1.00 0.00 C ATOM 1175 CD2 TRP A 75 2.025 4.151 3.670 1.00 0.00 C ATOM 1176 NE1 TRP A 75 3.169 2.312 3.107 1.00 0.00 N ATOM 1177 CE2 TRP A 75 3.181 3.404 3.935 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.796 5.324 4.384 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 4.099 3.794 4.897 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.706 5.709 5.340 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.848 4.948 5.587 1.00 0.00 C ATOM 0 H TRP A 75 -1.113 1.574 1.205 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.226 3.224 3.649 1.00 0.00 H new ATOM 0 HB2 TRP A 75 0.061 3.845 0.962 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.128 4.997 2.269 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.741 1.612 1.610 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.885 1.587 3.068 1.00 0.00 H new ATOM 0 HE3 TRP A 75 0.918 5.922 4.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 4.983 3.206 5.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.534 6.612 5.907 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.550 5.277 6.339 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.199 4.472 2.849 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.440 5.123 2.459 1.00 0.00 C ATOM 1194 C VAL A 76 -4.262 6.632 2.543 1.00 0.00 C ATOM 1195 O VAL A 76 -3.966 7.142 3.621 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.579 4.710 3.412 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -6.914 5.268 2.960 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -5.639 3.203 3.552 1.00 0.00 C ATOM 0 H VAL A 76 -2.944 4.614 3.826 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.690 4.824 1.441 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.363 5.137 4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.693 4.956 3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.864 6.357 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.146 4.893 1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.449 2.932 4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.817 2.754 2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.694 2.837 3.953 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.395 7.332 1.409 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.194 8.792 1.366 1.00 0.00 C ATOM 1210 C ASP A 77 -2.795 9.114 1.917 1.00 0.00 C ATOM 1211 O ASP A 77 -2.506 10.183 2.438 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.310 9.454 2.178 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.377 10.982 2.107 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -4.494 11.672 2.643 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -6.334 11.510 1.491 1.00 0.00 O ATOM 0 H ASP A 77 -4.640 6.916 0.511 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.243 9.178 0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.265 9.052 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.194 9.164 3.222 1.00 0.00 H new ATOM 1220 N GLY A 78 -1.933 8.137 1.768 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.562 8.250 2.219 1.00 0.00 C ATOM 1222 C GLY A 78 -0.388 7.997 3.709 1.00 0.00 C ATOM 1223 O GLY A 78 0.575 8.477 4.311 1.00 0.00 O ATOM 0 H GLY A 78 -2.159 7.243 1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.054 7.542 1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.192 9.248 1.983 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.266 7.179 4.290 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.139 6.801 5.695 1.00 0.00 C ATOM 1229 C GLU A 79 -1.223 5.284 5.866 1.00 0.00 C ATOM 1230 O GLU A 79 -2.003 4.615 5.195 1.00 0.00 O ATOM 1231 CB GLU A 79 -2.192 7.495 6.559 1.00 0.00 C ATOM 1232 CG GLU A 79 -2.114 9.012 6.503 1.00 0.00 C ATOM 1233 CD GLU A 79 -3.011 9.686 7.518 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -2.797 9.477 8.731 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -3.920 10.441 7.116 1.00 0.00 O ATOM 0 H GLU A 79 -2.068 6.768 3.812 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.157 7.131 6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.183 7.177 6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.075 7.170 7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.084 9.324 6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.389 9.348 5.503 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.295 4.745 6.649 1.00 0.00 N ATOM 1243 CA LEU A 80 -0.118 3.304 6.784 1.00 0.00 C ATOM 1244 C LEU A 80 -1.274 2.618 7.512 1.00 0.00 C ATOM 1245 O LEU A 80 -1.612 2.976 8.641 1.00 0.00 O ATOM 1246 CB LEU A 80 1.193 3.020 7.523 1.00 0.00 C ATOM 1247 CG LEU A 80 1.464 1.548 7.818 1.00 0.00 C ATOM 1248 CD1 LEU A 80 1.697 0.772 6.533 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.645 1.407 8.761 1.00 0.00 C ATOM 0 H LEU A 80 0.356 5.296 7.209 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.093 2.892 5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.019 3.414 6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.187 3.568 8.465 1.00 0.00 H new ATOM 0 HG LEU A 80 0.585 1.127 8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.888 -0.275 6.770 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.814 0.845 5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.557 1.188 6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.826 0.351 8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.531 1.846 8.303 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.427 1.922 9.696 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.731 1.513 6.933 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.678 0.625 7.595 1.00 0.00 C ATOM 1263 C VAL A 81 -1.992 -0.699 7.960 1.00 0.00 C ATOM 1264 O VAL A 81 -2.015 -1.131 9.111 1.00 0.00 O ATOM 1265 CB VAL A 81 -3.909 0.336 6.696 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -4.837 -0.679 7.343 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.678 1.613 6.396 1.00 0.00 C ATOM 0 H VAL A 81 -1.458 1.210 5.998 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.023 1.125 8.500 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.535 -0.079 5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.690 -0.861 6.689 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.299 -1.613 7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.189 -0.292 8.299 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.536 1.381 5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.024 2.057 7.329 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.026 2.317 5.879 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.394 -1.335 6.956 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.716 -2.614 7.143 1.00 0.00 C ATOM 1279 C GLY A 82 -0.834 -3.463 5.895 1.00 0.00 C ATOM 1280 O GLY A 82 -1.847 -3.383 5.216 1.00 0.00 O ATOM 0 H GLY A 82 -1.366 -0.983 5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.335 -2.445 7.377 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.150 -3.142 7.992 1.00 0.00 H new ATOM 1284 N GLY A 83 0.258 -4.083 5.463 1.00 0.00 N ATOM 1285 CA GLY A 83 0.256 -4.690 4.140 1.00 0.00 C ATOM 1286 C GLY A 83 -0.304 -6.103 4.039 1.00 0.00 C ATOM 1287 O GLY A 83 -1.175 -6.345 3.221 1.00 0.00 O ATOM 0 H GLY A 83 1.127 -4.177 5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.317 -4.048 3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.281 -4.702 3.769 1.00 0.00 H new ATOM 1291 N CYS A 84 0.325 -7.074 4.687 1.00 0.00 N ATOM 1292 CA CYS A 84 -0.027 -8.470 4.413 1.00 0.00 C ATOM 1293 C CYS A 84 -1.311 -8.921 5.113 1.00 0.00 C ATOM 1294 O CYS A 84 -2.305 -9.236 4.455 1.00 0.00 O ATOM 1295 CB CYS A 84 1.143 -9.392 4.765 1.00 0.00 C ATOM 1296 SG CYS A 84 1.758 -9.210 6.456 1.00 0.00 S ATOM 0 H CYS A 84 1.057 -6.935 5.383 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.229 -8.538 3.344 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.833 -10.426 4.614 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.962 -9.200 4.071 1.00 0.00 H new ATOM 0 HG CYS A 84 1.302 -10.181 7.190 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.272 -9.004 6.434 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.413 -9.486 7.205 1.00 0.00 C ATOM 1304 C ASP A 85 -3.463 -8.409 7.340 1.00 0.00 C ATOM 1305 O ASP A 85 -4.663 -8.689 7.294 1.00 0.00 O ATOM 1306 CB ASP A 85 -1.992 -9.959 8.600 1.00 0.00 C ATOM 1307 CG ASP A 85 -1.040 -11.136 8.573 1.00 0.00 C ATOM 1308 OD1 ASP A 85 0.096 -10.989 8.068 1.00 0.00 O ATOM 1309 OD2 ASP A 85 -1.425 -12.220 9.058 1.00 0.00 O ATOM 0 H ASP A 85 -0.462 -8.744 6.997 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.830 -10.334 6.661 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.520 -9.131 9.129 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.882 -10.234 9.167 1.00 0.00 H new ATOM 1314 N ILE A 86 -3.001 -7.201 7.620 1.00 0.00 N ATOM 1315 CA ILE A 86 -3.891 -6.091 7.903 1.00 0.00 C ATOM 1316 C ILE A 86 -4.862 -5.854 6.747 1.00 0.00 C ATOM 1317 O ILE A 86 -6.058 -5.716 6.968 1.00 0.00 O ATOM 1318 CB ILE A 86 -3.105 -4.800 8.198 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -2.124 -5.016 9.357 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -4.062 -3.670 8.531 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -2.789 -5.393 10.664 1.00 0.00 C ATOM 0 H ILE A 86 -2.009 -6.965 7.657 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.462 -6.358 8.792 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.535 -4.533 7.308 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.418 -5.799 9.081 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.546 -4.104 9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.495 -2.762 8.738 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.729 -3.497 7.686 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.650 -3.938 9.409 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.029 -5.528 11.433 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.474 -4.600 10.966 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.344 -6.322 10.535 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.354 -5.856 5.514 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.215 -5.684 4.345 1.00 0.00 C ATOM 1335 C VAL A 87 -6.285 -6.763 4.279 1.00 0.00 C ATOM 1336 O VAL A 87 -7.457 -6.454 4.117 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.424 -5.676 3.018 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.365 -5.649 1.821 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.497 -4.482 2.963 1.00 0.00 C ATOM 0 H VAL A 87 -3.363 -5.973 5.301 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.687 -4.709 4.467 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.834 -6.591 2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.782 -5.644 0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.004 -6.532 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.983 -4.752 1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.947 -4.491 2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.081 -3.564 3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.794 -4.529 3.794 1.00 0.00 H new ATOM 1349 N ILE A 88 -5.890 -8.022 4.437 1.00 0.00 N ATOM 1350 CA ILE A 88 -6.854 -9.116 4.417 1.00 0.00 C ATOM 1351 C ILE A 88 -7.906 -8.937 5.497 1.00 0.00 C ATOM 1352 O ILE A 88 -9.102 -9.001 5.220 1.00 0.00 O ATOM 1353 CB ILE A 88 -6.181 -10.494 4.607 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.274 -10.814 3.425 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -7.235 -11.585 4.772 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -6.025 -10.931 2.119 1.00 0.00 C ATOM 0 H ILE A 88 -4.921 -8.308 4.579 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.322 -9.089 3.433 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.574 -10.456 5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.517 -10.035 3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.748 -11.749 3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.743 -12.549 4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.850 -11.368 5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.866 -11.619 3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.325 -11.160 1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.764 -11.729 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.529 -9.989 1.903 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.462 -8.757 6.729 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.389 -8.640 7.840 1.00 0.00 C ATOM 1370 C GLU A 89 -9.278 -7.409 7.691 1.00 0.00 C ATOM 1371 O GLU A 89 -10.493 -7.519 7.776 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.633 -8.609 9.166 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.536 -8.526 10.387 1.00 0.00 C ATOM 1374 CD GLU A 89 -7.759 -8.655 11.678 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -7.163 -9.729 11.905 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -7.729 -7.689 12.465 1.00 0.00 O ATOM 0 H GLU A 89 -6.477 -8.689 6.983 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.036 -9.517 7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.016 -9.504 9.242 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.956 -7.754 9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.070 -7.576 10.379 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.287 -9.314 10.336 1.00 0.00 H new ATOM 1383 N MET A 90 -8.679 -6.254 7.421 1.00 0.00 N ATOM 1384 CA MET A 90 -9.442 -5.020 7.223 1.00 0.00 C ATOM 1385 C MET A 90 -10.397 -5.136 6.037 1.00 0.00 C ATOM 1386 O MET A 90 -11.549 -4.711 6.122 1.00 0.00 O ATOM 1387 CB MET A 90 -8.515 -3.817 7.061 1.00 0.00 C ATOM 1388 CG MET A 90 -7.713 -3.493 8.310 1.00 0.00 C ATOM 1389 SD MET A 90 -8.762 -3.115 9.727 1.00 0.00 S ATOM 1390 CE MET A 90 -7.525 -2.795 10.985 1.00 0.00 C ATOM 0 H MET A 90 -7.669 -6.143 7.334 1.00 0.00 H new ATOM 0 HA MET A 90 -10.044 -4.863 8.118 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.827 -4.008 6.237 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.109 -2.946 6.785 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.070 -4.338 8.554 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.060 -2.643 8.108 1.00 0.00 H new ATOM 0 HE1 MET A 90 -8.018 -2.546 11.925 1.00 0.00 H new ATOM 0 HE2 MET A 90 -6.908 -3.683 11.123 1.00 0.00 H new ATOM 0 HE3 MET A 90 -6.896 -1.961 10.673 1.00 0.00 H new ATOM 1400 N TYR A 91 -9.953 -5.812 4.984 1.00 0.00 N ATOM 1401 CA TYR A 91 -10.814 -6.118 3.843 1.00 0.00 C ATOM 1402 C TYR A 91 -12.033 -6.908 4.291 1.00 0.00 C ATOM 1403 O TYR A 91 -13.165 -6.562 3.952 1.00 0.00 O ATOM 1404 CB TYR A 91 -10.015 -6.919 2.808 1.00 0.00 C ATOM 1405 CG TYR A 91 -10.827 -7.865 1.949 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.832 -7.428 1.088 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.559 -9.223 2.004 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -12.542 -8.330 0.319 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -11.258 -10.125 1.243 1.00 0.00 C ATOM 1410 CZ TYR A 91 -12.252 -9.677 0.401 1.00 0.00 C ATOM 1411 OH TYR A 91 -12.965 -10.578 -0.358 1.00 0.00 O ATOM 0 H TYR A 91 -8.999 -6.161 4.895 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.159 -5.186 3.395 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.495 -6.219 2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.251 -7.495 3.331 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -12.058 -6.374 1.021 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.781 -9.580 2.662 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.321 -7.982 -0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.031 -11.179 1.303 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.636 -11.485 -0.184 1.00 0.00 H new ATOM 1421 N GLN A 92 -11.787 -7.958 5.060 1.00 0.00 N ATOM 1422 CA GLN A 92 -12.854 -8.801 5.572 1.00 0.00 C ATOM 1423 C GLN A 92 -13.752 -8.004 6.516 1.00 0.00 C ATOM 1424 O GLN A 92 -14.975 -8.096 6.448 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.271 -10.025 6.273 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.399 -10.869 5.359 1.00 0.00 C ATOM 1427 CD GLN A 92 -10.793 -12.066 6.055 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -10.081 -11.929 7.052 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -11.052 -13.245 5.524 1.00 0.00 N ATOM 0 H GLN A 92 -10.851 -8.247 5.344 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.463 -9.147 4.737 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.682 -9.700 7.131 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.085 -10.639 6.659 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.995 -11.212 4.513 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.599 -10.248 4.955 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.647 -13.313 4.698 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.658 -14.089 5.939 1.00 0.00 H new ATOM 1438 N ARG A 93 -13.123 -7.153 7.329 1.00 0.00 N ATOM 1439 CA ARG A 93 -13.838 -6.239 8.219 1.00 0.00 C ATOM 1440 C ARG A 93 -14.780 -5.342 7.424 1.00 0.00 C ATOM 1441 O ARG A 93 -15.765 -4.832 7.956 1.00 0.00 O ATOM 1442 CB ARG A 93 -12.856 -5.340 8.982 1.00 0.00 C ATOM 1443 CG ARG A 93 -11.864 -6.074 9.865 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.545 -6.843 10.982 1.00 0.00 C ATOM 1445 NE ARG A 93 -13.295 -5.960 11.879 1.00 0.00 N ATOM 1446 CZ ARG A 93 -13.967 -6.386 12.947 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -14.028 -7.683 13.221 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -14.589 -5.517 13.734 1.00 0.00 N ATOM 0 H ARG A 93 -12.107 -7.079 7.388 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.405 -6.849 8.922 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.302 -4.740 8.261 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.427 -4.648 9.601 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.280 -6.764 9.256 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.164 -5.357 10.295 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.221 -7.583 10.553 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -11.796 -7.390 11.555 1.00 0.00 H new ATOM 0 HE ARG A 93 -13.303 -4.961 11.674 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.560 -8.355 12.613 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.543 -8.008 14.039 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -14.553 -4.520 13.522 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -15.103 -5.846 14.551 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.359 -5.005 6.210 1.00 0.00 N ATOM 1463 CA GLY A 94 -15.057 -4.002 5.431 1.00 0.00 C ATOM 1464 C GLY A 94 -14.507 -2.617 5.702 1.00 0.00 C ATOM 1465 O GLY A 94 -14.651 -1.710 4.898 1.00 0.00 O ATOM 0 H GLY A 94 -13.544 -5.411 5.751 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.963 -4.232 4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.120 -4.027 5.670 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.907 -2.459 6.862 1.00 0.00 N ATOM 1470 CA GLU A 95 -13.360 -1.182 7.301 1.00 0.00 C ATOM 1471 C GLU A 95 -12.259 -0.663 6.363 1.00 0.00 C ATOM 1472 O GLU A 95 -12.045 0.541 6.264 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.835 -1.330 8.728 1.00 0.00 C ATOM 1474 CG GLU A 95 -13.904 -1.813 9.698 1.00 0.00 C ATOM 1475 CD GLU A 95 -13.394 -1.978 11.113 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -12.924 -0.980 11.699 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -13.487 -3.103 11.657 1.00 0.00 O ATOM 0 H GLU A 95 -13.781 -3.215 7.535 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.159 -0.441 7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.001 -2.032 8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.446 -0.371 9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.733 -1.105 9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.299 -2.766 9.348 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.577 -1.567 5.665 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.516 -1.173 4.736 1.00 0.00 C ATOM 1486 C LEU A 96 -11.122 -0.552 3.504 1.00 0.00 C ATOM 1487 O LEU A 96 -10.842 0.593 3.176 1.00 0.00 O ATOM 1488 CB LEU A 96 -9.636 -2.381 4.376 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.455 -2.118 3.425 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -7.430 -3.223 3.561 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -8.911 -2.051 1.975 1.00 0.00 C ATOM 0 H LEU A 96 -11.737 -2.573 5.723 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.877 -0.432 5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.241 -2.801 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.272 -3.143 3.926 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.018 -1.158 3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.596 -3.031 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.065 -3.256 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.889 -4.179 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.051 -1.864 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.375 -2.997 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.634 -1.244 1.858 1.00 0.00 H new ATOM 1503 N GLN A 97 -12.032 -1.282 2.892 1.00 0.00 N ATOM 1504 CA GLN A 97 -12.772 -0.769 1.757 1.00 0.00 C ATOM 1505 C GLN A 97 -13.522 0.509 2.120 1.00 0.00 C ATOM 1506 O GLN A 97 -13.747 1.369 1.284 1.00 0.00 O ATOM 1507 CB GLN A 97 -13.711 -1.831 1.179 1.00 0.00 C ATOM 1508 CG GLN A 97 -14.610 -2.521 2.180 1.00 0.00 C ATOM 1509 CD GLN A 97 -15.468 -3.596 1.543 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -15.239 -4.844 1.928 1.00 0.00 O flip ATOM 1511 NE2 GLN A 97 -16.318 -3.315 0.697 1.00 0.00 N flip ATOM 0 H GLN A 97 -12.277 -2.234 3.162 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.053 -0.515 0.978 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -14.336 -1.363 0.418 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.109 -2.588 0.676 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.000 -2.966 2.966 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.254 -1.781 2.656 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -16.466 -2.343 0.426 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.874 -4.054 0.267 1.00 0.00 H new ATOM 1520 N GLN A 98 -13.840 0.661 3.387 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.488 1.869 3.864 1.00 0.00 C ATOM 1522 C GLN A 98 -13.549 3.068 3.815 1.00 0.00 C ATOM 1523 O GLN A 98 -13.883 4.104 3.233 1.00 0.00 O ATOM 1524 CB GLN A 98 -15.006 1.661 5.287 1.00 0.00 C ATOM 1525 CG GLN A 98 -16.227 0.758 5.373 1.00 0.00 C ATOM 1526 CD GLN A 98 -17.467 1.355 4.719 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -17.390 2.608 4.297 1.00 0.00 O flip ATOM 1528 NE2 GLN A 98 -18.504 0.700 4.623 1.00 0.00 N flip ATOM 0 H GLN A 98 -13.661 -0.037 4.109 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.328 2.080 3.202 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.208 1.235 5.895 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.253 2.631 5.719 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -15.998 -0.196 4.898 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -16.443 0.549 6.421 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -18.532 -0.263 4.957 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -19.336 1.120 4.209 1.00 0.00 H new ATOM 1537 N LEU A 99 -12.379 2.929 4.419 1.00 0.00 N ATOM 1538 CA LEU A 99 -11.408 4.008 4.433 1.00 0.00 C ATOM 1539 C LEU A 99 -10.773 4.222 3.058 1.00 0.00 C ATOM 1540 O LEU A 99 -10.564 5.366 2.647 1.00 0.00 O ATOM 1541 CB LEU A 99 -10.379 3.825 5.566 1.00 0.00 C ATOM 1542 CG LEU A 99 -9.715 2.450 5.699 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.707 2.197 4.591 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -9.052 2.310 7.061 1.00 0.00 C ATOM 0 H LEU A 99 -12.081 2.082 4.904 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.939 4.934 4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.593 4.567 5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -10.873 4.053 6.510 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.499 1.698 5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.260 1.212 4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.210 2.240 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.927 2.957 4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.585 1.328 7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.292 3.083 7.177 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.803 2.418 7.844 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.556 3.144 2.302 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.052 3.276 0.939 1.00 0.00 C ATOM 1558 C ILE A 100 -11.087 3.966 0.061 1.00 0.00 C ATOM 1559 O ILE A 100 -10.749 4.880 -0.680 1.00 0.00 O ATOM 1560 CB ILE A 100 -9.690 1.927 0.284 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -8.611 1.180 1.070 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -9.215 2.160 -1.146 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.249 1.833 1.019 1.00 0.00 C ATOM 0 H ILE A 100 -10.719 2.184 2.607 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.139 3.867 1.017 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.588 1.309 0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.925 1.099 2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.530 0.165 0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -8.960 1.205 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.009 2.638 -1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.336 2.804 -1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.541 1.243 1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.911 1.890 -0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.312 2.838 1.436 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.341 3.507 0.122 1.00 0.00 N ATOM 1576 CA LYS A 101 -13.396 4.070 -0.707 1.00 0.00 C ATOM 1577 C LYS A 101 -13.519 5.561 -0.487 1.00 0.00 C ATOM 1578 O LYS A 101 -13.546 6.330 -1.434 1.00 0.00 O ATOM 1579 CB LYS A 101 -14.751 3.439 -0.407 1.00 0.00 C ATOM 1580 CG LYS A 101 -15.852 4.058 -1.240 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.228 3.494 -0.931 1.00 0.00 C ATOM 1582 CE LYS A 101 -17.663 3.810 0.490 1.00 0.00 C ATOM 1583 NZ LYS A 101 -19.075 3.416 0.733 1.00 0.00 N ATOM 0 H LYS A 101 -12.643 2.750 0.736 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.118 3.860 -1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -14.705 2.368 -0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.983 3.560 0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -15.863 5.135 -1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -15.631 3.901 -2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -17.954 3.904 -1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -17.219 2.414 -1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.014 3.289 1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.546 4.877 0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -19.336 3.647 1.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -19.697 3.932 0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -19.182 2.393 0.578 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.621 5.948 0.773 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.770 7.350 1.132 1.00 0.00 C ATOM 1599 C GLU A 102 -12.623 8.158 0.547 1.00 0.00 C ATOM 1600 O GLU A 102 -12.837 9.179 -0.102 1.00 0.00 O ATOM 1601 CB GLU A 102 -13.784 7.507 2.650 1.00 0.00 C ATOM 1602 CG GLU A 102 -13.982 8.940 3.117 1.00 0.00 C ATOM 1603 CD GLU A 102 -13.911 9.074 4.623 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -13.631 8.065 5.300 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -14.118 10.193 5.134 1.00 0.00 O ATOM 0 H GLU A 102 -13.603 5.309 1.568 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.714 7.716 0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.580 6.887 3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.844 7.130 3.054 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.221 9.575 2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.949 9.302 2.768 1.00 0.00 H new ATOM 1612 N THR A 103 -11.416 7.654 0.747 1.00 0.00 N ATOM 1613 CA THR A 103 -10.215 8.273 0.221 1.00 0.00 C ATOM 1614 C THR A 103 -10.217 8.291 -1.307 1.00 0.00 C ATOM 1615 O THR A 103 -9.985 9.321 -1.926 1.00 0.00 O ATOM 1616 CB THR A 103 -8.980 7.520 0.727 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.992 7.493 2.158 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.706 8.170 0.237 1.00 0.00 C ATOM 0 H THR A 103 -11.243 6.802 1.280 1.00 0.00 H new ATOM 0 HA THR A 103 -10.188 9.305 0.570 1.00 0.00 H new ATOM 0 HB THR A 103 -9.012 6.502 0.337 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.305 6.617 2.466 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.847 7.614 0.612 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.692 8.168 -0.853 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.659 9.197 0.598 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.516 7.159 -1.910 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.581 7.061 -3.354 1.00 0.00 C ATOM 1628 C ALA A 104 -11.637 8.012 -3.915 1.00 0.00 C ATOM 1629 O ALA A 104 -11.365 8.759 -4.854 1.00 0.00 O ATOM 1630 CB ALA A 104 -10.864 5.624 -3.751 1.00 0.00 C ATOM 0 H ALA A 104 -10.719 6.288 -1.419 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.621 7.357 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.913 5.550 -4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.067 4.980 -3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.815 5.309 -3.322 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.815 8.012 -3.303 1.00 0.00 N ATOM 1637 CA ALA A 105 -13.903 8.898 -3.705 1.00 0.00 C ATOM 1638 C ALA A 105 -13.479 10.364 -3.622 1.00 0.00 C ATOM 1639 O ALA A 105 -13.765 11.146 -4.516 1.00 0.00 O ATOM 1640 CB ALA A 105 -15.133 8.661 -2.839 1.00 0.00 C ATOM 0 H ALA A 105 -13.043 7.402 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 105 -14.151 8.671 -4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -15.934 9.330 -3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.461 7.627 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.886 8.856 -1.795 1.00 0.00 H new ATOM 1646 N LYS A 106 -12.800 10.737 -2.541 1.00 0.00 N ATOM 1647 CA LYS A 106 -12.354 12.116 -2.373 1.00 0.00 C ATOM 1648 C LYS A 106 -11.190 12.453 -3.305 1.00 0.00 C ATOM 1649 O LYS A 106 -10.997 13.617 -3.655 1.00 0.00 O ATOM 1650 CB LYS A 106 -12.069 12.456 -0.890 1.00 0.00 C ATOM 1651 CG LYS A 106 -11.073 11.550 -0.179 1.00 0.00 C ATOM 1652 CD LYS A 106 -9.621 11.957 -0.379 1.00 0.00 C ATOM 1653 CE LYS A 106 -9.293 13.248 0.352 1.00 0.00 C ATOM 1654 NZ LYS A 106 -7.844 13.572 0.277 1.00 0.00 N ATOM 0 H LYS A 106 -12.549 10.111 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 106 -13.177 12.765 -2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.701 13.481 -0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.011 12.427 -0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.296 11.547 0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.207 10.529 -0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.968 11.161 -0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.421 12.081 -1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.871 14.066 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.592 13.160 1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.673 14.500 0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.299 12.845 0.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.545 13.597 -0.719 1.00 0.00 H new ATOM 1668 N TYR A 107 -10.475 11.436 -3.793 1.00 0.00 N ATOM 1669 CA TYR A 107 -9.425 11.683 -4.777 1.00 0.00 C ATOM 1670 C TYR A 107 -9.967 11.821 -6.199 1.00 0.00 C ATOM 1671 O TYR A 107 -9.715 12.836 -6.849 1.00 0.00 O ATOM 1672 CB TYR A 107 -8.304 10.642 -4.725 1.00 0.00 C ATOM 1673 CG TYR A 107 -7.284 10.919 -3.648 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -6.252 11.808 -3.895 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -7.359 10.336 -2.389 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -5.320 12.102 -2.928 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -6.435 10.630 -1.418 1.00 0.00 C ATOM 1678 CZ TYR A 107 -5.413 11.514 -1.691 1.00 0.00 C ATOM 1679 OH TYR A 107 -4.486 11.818 -0.724 1.00 0.00 O ATOM 0 H TYR A 107 -10.601 10.459 -3.530 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.993 12.643 -4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.740 9.657 -4.559 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.802 10.610 -5.692 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.178 12.279 -4.864 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -8.157 9.641 -2.171 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.518 12.793 -3.141 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -6.508 10.170 -0.443 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.162 12.733 -0.858 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.847 10.919 -6.627 1.00 0.00 N ATOM 1690 CA LYS A 108 -11.537 11.140 -7.892 1.00 0.00 C ATOM 1691 C LYS A 108 -12.786 11.972 -7.645 1.00 0.00 C ATOM 1692 O LYS A 108 -12.904 12.633 -6.613 1.00 0.00 O ATOM 1693 CB LYS A 108 -11.891 9.841 -8.631 1.00 0.00 C ATOM 1694 CG LYS A 108 -10.706 8.989 -9.077 1.00 0.00 C ATOM 1695 CD LYS A 108 -10.221 8.057 -7.988 1.00 0.00 C ATOM 1696 CE LYS A 108 -11.409 7.355 -7.377 1.00 0.00 C ATOM 1697 NZ LYS A 108 -11.080 6.020 -6.817 1.00 0.00 N ATOM 0 H LYS A 108 -11.092 10.059 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 108 -10.849 11.676 -8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -12.525 9.237 -7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -12.484 10.095 -9.510 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -10.992 8.404 -9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -9.888 9.641 -9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.524 7.328 -8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.682 8.618 -7.225 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -11.824 7.980 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -12.184 7.242 -8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -11.882 5.673 -6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.889 5.355 -7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -10.238 6.096 -6.211 1.00 0.00 H new ATOM 1711 N SER A 109 -13.778 11.787 -8.485 1.00 0.00 N ATOM 1712 CA SER A 109 -15.095 12.340 -8.234 1.00 0.00 C ATOM 1713 C SER A 109 -15.887 11.363 -7.372 1.00 0.00 C ATOM 1714 O SER A 109 -15.303 10.576 -6.631 1.00 0.00 O ATOM 1715 CB SER A 109 -15.800 12.606 -9.564 1.00 0.00 C ATOM 1716 OG SER A 109 -15.026 13.478 -10.372 1.00 0.00 O ATOM 0 H SER A 109 -13.700 11.256 -9.352 1.00 0.00 H new ATOM 0 HA SER A 109 -15.014 13.287 -7.700 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.965 11.665 -10.089 1.00 0.00 H new ATOM 0 HB3 SER A 109 -16.781 13.045 -9.381 1.00 0.00 H new ATOM 0 HG SER A 109 -15.491 13.637 -11.220 1.00 0.00 H new ATOM 1722 N GLU A 110 -17.201 11.408 -7.476 1.00 0.00 N ATOM 1723 CA GLU A 110 -18.080 10.526 -6.709 1.00 0.00 C ATOM 1724 C GLU A 110 -17.980 9.066 -7.185 1.00 0.00 C ATOM 1725 O GLU A 110 -18.993 8.441 -7.502 1.00 0.00 O ATOM 1726 CB GLU A 110 -19.545 10.983 -6.795 1.00 0.00 C ATOM 1727 CG GLU A 110 -19.830 12.404 -6.307 1.00 0.00 C ATOM 1728 CD GLU A 110 -19.521 13.495 -7.322 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -18.347 13.678 -7.699 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -20.473 14.176 -7.758 1.00 0.00 O ATOM 0 H GLU A 110 -17.695 12.054 -8.092 1.00 0.00 H new ATOM 0 HA GLU A 110 -17.746 10.582 -5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -19.870 10.904 -7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -20.156 10.291 -6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -20.881 12.474 -6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -19.246 12.589 -5.405 1.00 0.00 H new ATOM 1737 N GLU A 111 -16.764 8.543 -7.272 1.00 0.00 N ATOM 1738 CA GLU A 111 -16.539 7.183 -7.742 1.00 0.00 C ATOM 1739 C GLU A 111 -17.018 6.142 -6.733 1.00 0.00 C ATOM 1740 O GLU A 111 -16.588 6.129 -5.576 1.00 0.00 O ATOM 1741 CB GLU A 111 -15.056 6.978 -8.059 1.00 0.00 C ATOM 1742 CG GLU A 111 -14.580 7.782 -9.260 1.00 0.00 C ATOM 1743 CD GLU A 111 -15.270 7.388 -10.557 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -16.090 6.446 -10.550 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -14.982 8.011 -11.601 1.00 0.00 O ATOM 0 H GLU A 111 -15.912 9.045 -7.021 1.00 0.00 H new ATOM 0 HA GLU A 111 -17.125 7.045 -8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -14.464 7.255 -7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.874 5.919 -8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.753 8.842 -9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -13.504 7.650 -9.374 1.00 0.00 H new ATOM 1752 N PRO A 112 -17.924 5.258 -7.168 1.00 0.00 N ATOM 1753 CA PRO A 112 -18.483 4.205 -6.329 1.00 0.00 C ATOM 1754 C PRO A 112 -17.547 3.008 -6.158 1.00 0.00 C ATOM 1755 O PRO A 112 -17.823 1.911 -6.646 1.00 0.00 O ATOM 1756 CB PRO A 112 -19.733 3.782 -7.073 1.00 0.00 C ATOM 1757 CG PRO A 112 -19.438 4.059 -8.506 1.00 0.00 C ATOM 1758 CD PRO A 112 -18.492 5.232 -8.528 1.00 0.00 C ATOM 0 HA PRO A 112 -18.664 4.565 -5.316 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.951 2.726 -6.911 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -20.604 4.343 -6.733 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -18.989 3.189 -8.985 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -20.352 4.288 -9.053 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -17.716 5.104 -9.282 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -19.013 6.161 -8.761 1.00 0.00 H new ATOM 1766 N ASP A 113 -16.429 3.248 -5.510 1.00 0.00 N ATOM 1767 CA ASP A 113 -15.401 2.232 -5.292 1.00 0.00 C ATOM 1768 C ASP A 113 -15.915 1.045 -4.468 1.00 0.00 C ATOM 1769 O ASP A 113 -16.576 0.161 -5.009 1.00 0.00 O ATOM 1770 CB ASP A 113 -14.162 2.864 -4.652 1.00 0.00 C ATOM 1771 CG ASP A 113 -13.359 3.692 -5.644 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -12.872 3.116 -6.643 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -13.205 4.911 -5.439 1.00 0.00 O ATOM 0 H ASP A 113 -16.197 4.159 -5.113 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.124 1.829 -6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.469 3.496 -3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.528 2.079 -4.240 1.00 0.00 H new