USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 810 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 86 GLN : amide:sc= -2.21! C(o=-2.2!,f=-5.7!) USER MOD Set 1.2: A 103 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 38 SER OG : rot -59:sc= -0.856 USER MOD Set 2.2: A 93 ASN : amide:sc= -3.43! C(o=-4.3!,f=-13!) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 14 TYR OH : rot 84:sc= 1.02 USER MOD Single : A 15 SER OG : rot 29:sc= 0.976 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -140:sc= -2.03 USER MOD Single : A 20 SER OG : rot 160:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -12:sc= 0.921 USER MOD Single : A 33 ASN : amide:sc= 0.93 K(o=0.93,f=-2.4!) USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= -0.0199 (180deg=-0.864) USER MOD Single : A 50 LYS NZ :NH3+ -160:sc= -0.057 (180deg=-0.347) USER MOD Single : A 52 GLN : amide:sc= -0.0652 K(o=-0.065,f=-0.65) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.8) USER MOD Single : A 63 GLN : amide:sc= -0.751 K(o=-0.75,f=-2.7!) USER MOD Single : A 64 SER OG : rot 19:sc= -0.163 USER MOD Single : A 65 ASN : amide:sc= -0.855 K(o=-0.86,f=-2.5) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0595 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -52:sc= 0.0485 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1 X(o=-1,f=-1.1) USER MOD Single : A 79 LYS NZ :NH3+ -144:sc= -1.03 (180deg=-2.87!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.759 K(o=-0.76,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -9.662 -15.909 2.410 1.00 0.00 N ATOM 67 CA LEU A 8 -9.622 -14.516 1.979 1.00 0.00 C ATOM 68 C LEU A 8 -8.635 -13.714 2.821 1.00 0.00 C ATOM 69 O LEU A 8 -8.425 -13.986 4.003 1.00 0.00 O ATOM 70 CB LEU A 8 -11.015 -13.891 2.073 1.00 0.00 C ATOM 71 CG LEU A 8 -12.069 -14.455 1.119 1.00 0.00 C ATOM 72 CD1 LEU A 8 -13.467 -14.229 1.674 1.00 0.00 C ATOM 73 CD2 LEU A 8 -11.932 -13.826 -0.259 1.00 0.00 C ATOM 0 HA LEU A 8 -9.290 -14.493 0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.377 -14.011 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.924 -12.820 1.890 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.908 -15.529 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.204 -14.637 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.561 -14.728 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.640 -13.160 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.690 -14.239 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.066 -12.747 -0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.941 -14.040 -0.660 1.00 0.00 H new ATOM 85 N PRO A 9 -8.015 -12.699 2.200 1.00 0.00 N ATOM 86 CA PRO A 9 -7.042 -11.834 2.874 1.00 0.00 C ATOM 87 C PRO A 9 -7.693 -10.929 3.914 1.00 0.00 C ATOM 88 O PRO A 9 -8.868 -10.582 3.798 1.00 0.00 O ATOM 89 CB PRO A 9 -6.456 -11.001 1.732 1.00 0.00 C ATOM 90 CG PRO A 9 -7.519 -10.989 0.688 1.00 0.00 C ATOM 91 CD PRO A 9 -8.217 -12.317 0.792 1.00 0.00 C ATOM 0 HA PRO A 9 -6.298 -12.410 3.425 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.214 -9.991 2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.534 -11.442 1.353 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.217 -10.168 0.851 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.090 -10.850 -0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.276 -12.235 0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.787 -13.051 0.111 1.00 0.00 H new ATOM 99 N GLN A 10 -6.922 -10.551 4.929 1.00 0.00 N ATOM 100 CA GLN A 10 -7.426 -9.686 5.989 1.00 0.00 C ATOM 101 C GLN A 10 -6.323 -8.777 6.520 1.00 0.00 C ATOM 102 O GLN A 10 -5.145 -9.134 6.497 1.00 0.00 O ATOM 103 CB GLN A 10 -8.004 -10.525 7.129 1.00 0.00 C ATOM 104 CG GLN A 10 -9.319 -11.204 6.779 1.00 0.00 C ATOM 105 CD GLN A 10 -9.670 -12.325 7.737 1.00 0.00 C ATOM 106 OE1 GLN A 10 -9.032 -12.491 8.777 1.00 0.00 O ATOM 107 NE2 GLN A 10 -10.690 -13.102 7.391 1.00 0.00 N ATOM 0 H GLN A 10 -5.947 -10.830 5.039 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.216 -9.062 5.570 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.277 -11.285 7.414 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.155 -9.886 7.999 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -10.119 -10.463 6.784 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.260 -11.602 5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.191 -12.928 6.520 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.973 -13.873 7.997 1.00 0.00 H new ATOM 116 N VAL A 11 -6.712 -7.599 6.998 1.00 0.00 N ATOM 117 CA VAL A 11 -5.756 -6.638 7.535 1.00 0.00 C ATOM 118 C VAL A 11 -6.223 -6.092 8.880 1.00 0.00 C ATOM 119 O VAL A 11 -7.036 -5.171 8.939 1.00 0.00 O ATOM 120 CB VAL A 11 -5.537 -5.462 6.565 1.00 0.00 C ATOM 121 CG1 VAL A 11 -4.570 -4.451 7.162 1.00 0.00 C ATOM 122 CG2 VAL A 11 -5.031 -5.967 5.222 1.00 0.00 C ATOM 0 H VAL A 11 -7.683 -7.287 7.024 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.814 -7.170 7.668 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.493 -4.964 6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.427 -3.627 6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.977 -4.067 8.097 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.612 -4.934 7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.882 -5.123 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.085 -6.490 5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.763 -6.650 4.791 1.00 0.00 H new ATOM 132 N GLU A 12 -5.702 -6.668 9.959 1.00 0.00 N ATOM 133 CA GLU A 12 -6.066 -6.239 11.304 1.00 0.00 C ATOM 134 C GLU A 12 -5.492 -4.858 11.609 1.00 0.00 C ATOM 135 O GLU A 12 -6.225 -3.932 11.955 1.00 0.00 O ATOM 136 CB GLU A 12 -5.567 -7.250 12.339 1.00 0.00 C ATOM 137 CG GLU A 12 -6.404 -7.288 13.606 1.00 0.00 C ATOM 138 CD GLU A 12 -7.566 -8.258 13.509 1.00 0.00 C ATOM 139 OE1 GLU A 12 -7.371 -9.366 12.968 1.00 0.00 O ATOM 140 OE2 GLU A 12 -8.671 -7.908 13.974 1.00 0.00 O ATOM 0 H GLU A 12 -5.027 -7.432 9.928 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.153 -6.182 11.357 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.558 -8.243 11.890 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.537 -7.010 12.601 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.770 -7.569 14.447 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.786 -6.289 13.815 1.00 0.00 H new ATOM 147 N ALA A 13 -4.176 -4.728 11.477 1.00 0.00 N ATOM 148 CA ALA A 13 -3.504 -3.461 11.737 1.00 0.00 C ATOM 149 C ALA A 13 -2.317 -3.267 10.798 1.00 0.00 C ATOM 150 O ALA A 13 -1.842 -4.219 10.178 1.00 0.00 O ATOM 151 CB ALA A 13 -3.049 -3.392 13.187 1.00 0.00 C ATOM 0 H ALA A 13 -3.554 -5.485 11.192 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.216 -2.656 11.553 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.549 -2.440 13.366 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.914 -3.477 13.844 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.357 -4.209 13.391 1.00 0.00 H new ATOM 157 N TYR A 14 -1.844 -2.030 10.698 1.00 0.00 N ATOM 158 CA TYR A 14 -0.715 -1.711 9.833 1.00 0.00 C ATOM 159 C TYR A 14 0.148 -0.612 10.445 1.00 0.00 C ATOM 160 O TYR A 14 -0.330 0.198 11.239 1.00 0.00 O ATOM 161 CB TYR A 14 -1.211 -1.276 8.452 1.00 0.00 C ATOM 162 CG TYR A 14 -2.174 -0.111 8.495 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.757 1.146 8.915 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.502 -0.268 8.115 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.633 2.213 8.956 1.00 0.00 C ATOM 166 CE2 TYR A 14 -4.385 0.794 8.152 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.946 2.032 8.573 1.00 0.00 C ATOM 168 OH TYR A 14 -4.823 3.092 8.612 1.00 0.00 O ATOM 0 H TYR A 14 -2.225 -1.232 11.206 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.106 -2.609 9.728 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.354 -1.006 7.836 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.698 -2.122 7.967 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.730 1.291 9.215 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.849 -1.236 7.785 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.292 3.183 9.286 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.413 0.656 7.853 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.734 3.620 7.791 1.00 0.00 H new ATOM 178 N SER A 15 1.423 -0.592 10.070 1.00 0.00 N ATOM 179 CA SER A 15 2.355 0.405 10.584 1.00 0.00 C ATOM 180 C SER A 15 3.600 0.488 9.707 1.00 0.00 C ATOM 181 O SER A 15 4.039 -0.498 9.113 1.00 0.00 O ATOM 182 CB SER A 15 2.752 0.068 12.023 1.00 0.00 C ATOM 183 OG SER A 15 1.811 0.586 12.946 1.00 0.00 O ATOM 0 H SER A 15 1.834 -1.254 9.412 1.00 0.00 H new ATOM 0 HA SER A 15 1.857 1.374 10.569 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.824 -1.013 12.140 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.739 0.478 12.237 1.00 0.00 H new ATOM 0 HG SER A 15 0.928 0.631 12.523 1.00 0.00 H new ATOM 189 N PRO A 16 4.183 1.692 9.621 1.00 0.00 N ATOM 190 CA PRO A 16 3.669 2.872 10.323 1.00 0.00 C ATOM 191 C PRO A 16 2.348 3.363 9.741 1.00 0.00 C ATOM 192 O PRO A 16 2.116 3.267 8.536 1.00 0.00 O ATOM 193 CB PRO A 16 4.768 3.918 10.111 1.00 0.00 C ATOM 194 CG PRO A 16 5.453 3.498 8.856 1.00 0.00 C ATOM 195 CD PRO A 16 5.390 1.995 8.833 1.00 0.00 C ATOM 0 HA PRO A 16 3.457 2.662 11.371 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.349 4.920 10.017 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.461 3.940 10.952 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.960 3.923 7.981 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.486 3.846 8.840 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.312 1.612 7.816 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.281 1.549 9.275 1.00 0.00 H new ATOM 203 N SER A 17 1.485 3.889 10.604 1.00 0.00 N ATOM 204 CA SER A 17 0.185 4.392 10.176 1.00 0.00 C ATOM 205 C SER A 17 0.319 5.238 8.914 1.00 0.00 C ATOM 206 O SER A 17 -0.576 5.259 8.069 1.00 0.00 O ATOM 207 CB SER A 17 -0.459 5.217 11.291 1.00 0.00 C ATOM 208 OG SER A 17 -1.207 4.392 12.169 1.00 0.00 O ATOM 0 H SER A 17 1.663 3.978 11.604 1.00 0.00 H new ATOM 0 HA SER A 17 -0.453 3.536 9.953 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.314 5.743 11.851 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.110 5.976 10.857 1.00 0.00 H new ATOM 0 HG SER A 17 -1.607 4.943 12.874 1.00 0.00 H new ATOM 214 N ALA A 18 1.444 5.936 8.793 1.00 0.00 N ATOM 215 CA ALA A 18 1.697 6.783 7.635 1.00 0.00 C ATOM 216 C ALA A 18 3.161 6.712 7.212 1.00 0.00 C ATOM 217 O ALA A 18 3.986 6.105 7.897 1.00 0.00 O ATOM 218 CB ALA A 18 1.302 8.221 7.936 1.00 0.00 C ATOM 0 H ALA A 18 2.195 5.931 9.484 1.00 0.00 H new ATOM 0 HA ALA A 18 1.089 6.416 6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.497 8.842 7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.241 8.263 8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.885 8.589 8.780 1.00 0.00 H new ATOM 224 N CYS A 19 3.476 7.333 6.081 1.00 0.00 N ATOM 225 CA CYS A 19 4.841 7.339 5.566 1.00 0.00 C ATOM 226 C CYS A 19 5.127 8.626 4.799 1.00 0.00 C ATOM 227 O CYS A 19 4.272 9.506 4.702 1.00 0.00 O ATOM 228 CB CYS A 19 5.071 6.129 4.661 1.00 0.00 C ATOM 229 SG CYS A 19 5.454 4.602 5.551 1.00 0.00 S ATOM 0 H CYS A 19 2.805 7.839 5.503 1.00 0.00 H new ATOM 0 HA CYS A 19 5.524 7.284 6.414 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.180 5.969 4.053 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.889 6.352 3.975 1.00 0.00 H new ATOM 0 HG CYS A 19 6.378 3.947 4.912 1.00 0.00 H new ATOM 235 N SER A 20 6.336 8.728 4.256 1.00 0.00 N ATOM 236 CA SER A 20 6.737 9.910 3.502 1.00 0.00 C ATOM 237 C SER A 20 6.533 9.695 2.006 1.00 0.00 C ATOM 238 O SER A 20 6.815 8.619 1.477 1.00 0.00 O ATOM 239 CB SER A 20 8.203 10.248 3.785 1.00 0.00 C ATOM 240 OG SER A 20 8.355 10.816 5.074 1.00 0.00 O ATOM 0 H SER A 20 7.054 8.007 4.324 1.00 0.00 H new ATOM 0 HA SER A 20 6.111 10.744 3.820 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.809 9.345 3.708 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.571 10.944 3.031 1.00 0.00 H new ATOM 0 HG SER A 20 9.288 10.729 5.362 1.00 0.00 H new ATOM 246 N VAL A 21 6.041 10.726 1.327 1.00 0.00 N ATOM 247 CA VAL A 21 5.800 10.652 -0.109 1.00 0.00 C ATOM 248 C VAL A 21 6.920 9.898 -0.816 1.00 0.00 C ATOM 249 O VAL A 21 6.677 9.153 -1.766 1.00 0.00 O ATOM 250 CB VAL A 21 5.669 12.056 -0.729 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.380 12.723 -0.274 1.00 0.00 C ATOM 252 CG2 VAL A 21 6.876 12.910 -0.372 1.00 0.00 C ATOM 0 H VAL A 21 5.801 11.623 1.749 1.00 0.00 H new ATOM 0 HA VAL A 21 4.862 10.114 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 21 5.633 11.953 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.305 13.714 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.528 12.119 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.382 12.815 0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.767 13.899 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.946 13.007 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.781 12.438 -0.753 1.00 0.00 H new ATOM 262 N ARG A 22 8.148 10.096 -0.347 1.00 0.00 N ATOM 263 CA ARG A 22 9.306 9.435 -0.935 1.00 0.00 C ATOM 264 C ARG A 22 9.140 7.919 -0.905 1.00 0.00 C ATOM 265 O ARG A 22 9.447 7.231 -1.878 1.00 0.00 O ATOM 266 CB ARG A 22 10.581 9.834 -0.189 1.00 0.00 C ATOM 267 CG ARG A 22 10.582 9.428 1.276 1.00 0.00 C ATOM 268 CD ARG A 22 11.831 9.920 1.990 1.00 0.00 C ATOM 269 NE ARG A 22 12.963 9.019 1.794 1.00 0.00 N ATOM 270 CZ ARG A 22 13.176 7.936 2.533 1.00 0.00 C ATOM 271 NH1 ARG A 22 12.338 7.620 3.510 1.00 0.00 N ATOM 272 NH2 ARG A 22 14.230 7.165 2.294 1.00 0.00 N ATOM 0 H ARG A 22 8.366 10.709 0.439 1.00 0.00 H new ATOM 0 HA ARG A 22 9.386 9.754 -1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.439 9.379 -0.684 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.709 10.914 -0.258 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.697 9.833 1.767 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.521 8.342 1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.090 10.913 1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.625 10.017 3.056 1.00 0.00 H new ATOM 0 HE ARG A 22 13.626 9.233 1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.526 8.209 3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.505 6.788 4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.877 7.404 1.542 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.393 6.334 2.862 1.00 0.00 H new ATOM 286 N GLY A 23 8.653 7.404 0.219 1.00 0.00 N ATOM 287 CA GLY A 23 8.455 5.972 0.355 1.00 0.00 C ATOM 288 C GLY A 23 9.731 5.244 0.728 1.00 0.00 C ATOM 289 O GLY A 23 10.396 5.598 1.700 1.00 0.00 O ATOM 0 H GLY A 23 8.392 7.952 1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.697 5.784 1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.072 5.570 -0.583 1.00 0.00 H new ATOM 293 N GLY A 24 10.074 4.220 -0.048 1.00 0.00 N ATOM 294 CA GLY A 24 11.277 3.454 0.223 1.00 0.00 C ATOM 295 C GLY A 24 11.445 3.141 1.697 1.00 0.00 C ATOM 296 O GLY A 24 12.561 3.147 2.215 1.00 0.00 O ATOM 0 H GLY A 24 9.540 3.907 -0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.246 2.522 -0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.146 4.011 -0.128 1.00 0.00 H new ATOM 300 N GLU A 25 10.333 2.868 2.373 1.00 0.00 N ATOM 301 CA GLU A 25 10.363 2.554 3.796 1.00 0.00 C ATOM 302 C GLU A 25 9.771 1.173 4.061 1.00 0.00 C ATOM 303 O GLU A 25 9.145 0.577 3.186 1.00 0.00 O ATOM 304 CB GLU A 25 9.595 3.612 4.591 1.00 0.00 C ATOM 305 CG GLU A 25 10.388 4.883 4.838 1.00 0.00 C ATOM 306 CD GLU A 25 11.247 4.802 6.086 1.00 0.00 C ATOM 307 OE1 GLU A 25 10.677 4.757 7.196 1.00 0.00 O ATOM 308 OE2 GLU A 25 12.488 4.783 5.952 1.00 0.00 O ATOM 0 H GLU A 25 9.401 2.858 1.958 1.00 0.00 H new ATOM 0 HA GLU A 25 11.404 2.552 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.680 3.863 4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.297 3.188 5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.024 5.083 3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.700 5.724 4.929 1.00 0.00 H new ATOM 315 N GLU A 26 9.975 0.671 5.275 1.00 0.00 N ATOM 316 CA GLU A 26 9.462 -0.640 5.655 1.00 0.00 C ATOM 317 C GLU A 26 8.018 -0.541 6.137 1.00 0.00 C ATOM 318 O GLU A 26 7.666 0.359 6.900 1.00 0.00 O ATOM 319 CB GLU A 26 10.335 -1.256 6.750 1.00 0.00 C ATOM 320 CG GLU A 26 10.175 -2.762 6.881 1.00 0.00 C ATOM 321 CD GLU A 26 11.126 -3.530 5.984 1.00 0.00 C ATOM 322 OE1 GLU A 26 12.327 -3.606 6.319 1.00 0.00 O ATOM 323 OE2 GLU A 26 10.669 -4.055 4.948 1.00 0.00 O ATOM 0 H GLU A 26 10.491 1.152 6.011 1.00 0.00 H new ATOM 0 HA GLU A 26 9.490 -1.281 4.774 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.380 -1.027 6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.090 -0.789 7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.345 -3.053 7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.149 -3.037 6.637 1.00 0.00 H new ATOM 330 N LEU A 27 7.185 -1.473 5.686 1.00 0.00 N ATOM 331 CA LEU A 27 5.777 -1.491 6.069 1.00 0.00 C ATOM 332 C LEU A 27 5.331 -2.904 6.433 1.00 0.00 C ATOM 333 O LEU A 27 5.176 -3.761 5.563 1.00 0.00 O ATOM 334 CB LEU A 27 4.911 -0.947 4.932 1.00 0.00 C ATOM 335 CG LEU A 27 3.404 -0.922 5.190 1.00 0.00 C ATOM 336 CD1 LEU A 27 3.053 0.160 6.200 1.00 0.00 C ATOM 337 CD2 LEU A 27 2.644 -0.706 3.889 1.00 0.00 C ATOM 0 H LEU A 27 7.460 -2.226 5.055 1.00 0.00 H new ATOM 0 HA LEU A 27 5.656 -0.854 6.945 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.238 0.068 4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.097 -1.547 4.041 1.00 0.00 H new ATOM 0 HG LEU A 27 3.110 -1.886 5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.976 0.163 6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.569 -0.038 7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.362 1.132 5.814 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.573 -0.691 4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.943 0.244 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.871 -1.516 3.196 1.00 0.00 H new ATOM 349 N VAL A 28 5.123 -3.139 7.725 1.00 0.00 N ATOM 350 CA VAL A 28 4.690 -4.446 8.204 1.00 0.00 C ATOM 351 C VAL A 28 3.170 -4.523 8.293 1.00 0.00 C ATOM 352 O VAL A 28 2.550 -3.842 9.110 1.00 0.00 O ATOM 353 CB VAL A 28 5.292 -4.765 9.586 1.00 0.00 C ATOM 354 CG1 VAL A 28 4.799 -6.115 10.084 1.00 0.00 C ATOM 355 CG2 VAL A 28 6.811 -4.731 9.525 1.00 0.00 C ATOM 0 H VAL A 28 5.247 -2.441 8.458 1.00 0.00 H new ATOM 0 HA VAL A 28 5.046 -5.182 7.483 1.00 0.00 H new ATOM 0 HB VAL A 28 4.963 -4.003 10.292 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.235 -6.324 11.061 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.712 -6.097 10.167 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.096 -6.893 9.381 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.220 -4.958 10.509 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.163 -5.471 8.806 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.141 -3.739 9.216 1.00 0.00 H new ATOM 365 N LEU A 29 2.576 -5.358 7.449 1.00 0.00 N ATOM 366 CA LEU A 29 1.126 -5.526 7.432 1.00 0.00 C ATOM 367 C LEU A 29 0.706 -6.717 8.287 1.00 0.00 C ATOM 368 O LEU A 29 1.169 -7.840 8.079 1.00 0.00 O ATOM 369 CB LEU A 29 0.632 -5.715 5.997 1.00 0.00 C ATOM 370 CG LEU A 29 0.500 -4.442 5.159 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.473 -4.779 3.677 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.750 -3.670 5.555 1.00 0.00 C ATOM 0 H LEU A 29 3.075 -5.930 6.767 1.00 0.00 H new ATOM 0 HA LEU A 29 0.676 -4.626 7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.315 -6.394 5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.340 -6.206 6.031 1.00 0.00 H new ATOM 0 HG LEU A 29 1.368 -3.812 5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.379 -3.861 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.397 -5.288 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.376 -5.430 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.828 -2.768 4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.629 -4.293 5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.690 -3.395 6.608 1.00 0.00 H new ATOM 384 N THR A 30 -0.175 -6.466 9.250 1.00 0.00 N ATOM 385 CA THR A 30 -0.659 -7.517 10.136 1.00 0.00 C ATOM 386 C THR A 30 -2.038 -8.006 9.709 1.00 0.00 C ATOM 387 O THR A 30 -2.918 -7.208 9.386 1.00 0.00 O ATOM 388 CB THR A 30 -0.729 -7.032 11.597 1.00 0.00 C ATOM 389 OG1 THR A 30 0.517 -6.436 11.975 1.00 0.00 O ATOM 390 CG2 THR A 30 -1.050 -8.186 12.535 1.00 0.00 C ATOM 0 H THR A 30 -0.568 -5.543 9.436 1.00 0.00 H new ATOM 0 HA THR A 30 0.052 -8.340 10.067 1.00 0.00 H new ATOM 0 HB THR A 30 -1.524 -6.290 11.673 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.464 -6.129 12.904 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.094 -7.820 13.561 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.012 -8.619 12.263 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.274 -8.947 12.455 1.00 0.00 H new ATOM 398 N GLY A 31 -2.221 -9.323 9.709 1.00 0.00 N ATOM 399 CA GLY A 31 -3.497 -9.894 9.320 1.00 0.00 C ATOM 400 C GLY A 31 -3.458 -11.408 9.254 1.00 0.00 C ATOM 401 O GLY A 31 -2.824 -12.056 10.087 1.00 0.00 O ATOM 0 H GLY A 31 -1.509 -10.004 9.971 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.262 -9.584 10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.787 -9.498 8.347 1.00 0.00 H new ATOM 405 N SER A 32 -4.138 -11.974 8.262 1.00 0.00 N ATOM 406 CA SER A 32 -4.184 -13.422 8.094 1.00 0.00 C ATOM 407 C SER A 32 -4.582 -13.791 6.669 1.00 0.00 C ATOM 408 O SER A 32 -4.953 -12.929 5.873 1.00 0.00 O ATOM 409 CB SER A 32 -5.169 -14.041 9.088 1.00 0.00 C ATOM 410 OG SER A 32 -4.747 -13.829 10.424 1.00 0.00 O ATOM 0 H SER A 32 -4.665 -11.452 7.562 1.00 0.00 H new ATOM 0 HA SER A 32 -3.187 -13.817 8.288 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.158 -13.607 8.943 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.259 -15.110 8.897 1.00 0.00 H new ATOM 0 HG SER A 32 -3.822 -13.506 10.427 1.00 0.00 H new ATOM 416 N ASN A 33 -4.500 -15.080 6.353 1.00 0.00 N ATOM 417 CA ASN A 33 -4.851 -15.565 5.024 1.00 0.00 C ATOM 418 C ASN A 33 -4.037 -14.848 3.951 1.00 0.00 C ATOM 419 O ASN A 33 -4.575 -14.423 2.928 1.00 0.00 O ATOM 420 CB ASN A 33 -6.345 -15.367 4.763 1.00 0.00 C ATOM 421 CG ASN A 33 -7.181 -16.521 5.282 1.00 0.00 C ATOM 422 OD1 ASN A 33 -6.647 -17.542 5.716 1.00 0.00 O ATOM 423 ND2 ASN A 33 -8.499 -16.363 5.240 1.00 0.00 N ATOM 0 H ASN A 33 -4.193 -15.807 7.000 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.620 -16.629 4.981 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.674 -14.442 5.236 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.512 -15.254 3.692 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.113 -17.105 5.576 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.898 -15.499 4.872 1.00 0.00 H new ATOM 430 N PHE A 34 -2.736 -14.718 4.191 1.00 0.00 N ATOM 431 CA PHE A 34 -1.847 -14.052 3.246 1.00 0.00 C ATOM 432 C PHE A 34 -1.144 -15.069 2.352 1.00 0.00 C ATOM 433 O PHE A 34 -0.699 -16.119 2.818 1.00 0.00 O ATOM 434 CB PHE A 34 -0.811 -13.211 3.994 1.00 0.00 C ATOM 435 CG PHE A 34 -1.353 -11.906 4.504 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.079 -11.070 3.671 1.00 0.00 C ATOM 437 CD2 PHE A 34 -1.136 -11.515 5.815 1.00 0.00 C ATOM 438 CE1 PHE A 34 -2.580 -9.869 4.137 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.634 -10.316 6.287 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.356 -9.491 5.446 1.00 0.00 C ATOM 0 H PHE A 34 -2.274 -15.065 5.032 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.450 -13.397 2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.425 -13.788 4.834 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.031 -13.011 3.331 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.255 -11.360 2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.571 -12.155 6.476 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.146 -9.227 3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.459 -10.024 7.312 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.744 -8.552 5.812 1.00 0.00 H new ATOM 450 N LEU A 35 -1.047 -14.750 1.066 1.00 0.00 N ATOM 451 CA LEU A 35 -0.398 -15.636 0.105 1.00 0.00 C ATOM 452 C LEU A 35 0.940 -15.061 -0.347 1.00 0.00 C ATOM 453 O LEU A 35 1.140 -13.847 -0.390 1.00 0.00 O ATOM 454 CB LEU A 35 -1.306 -15.859 -1.106 1.00 0.00 C ATOM 455 CG LEU A 35 -2.591 -16.644 -0.846 1.00 0.00 C ATOM 456 CD1 LEU A 35 -3.687 -16.209 -1.807 1.00 0.00 C ATOM 457 CD2 LEU A 35 -2.336 -18.140 -0.967 1.00 0.00 C ATOM 0 H LEU A 35 -1.409 -13.885 0.665 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.215 -16.592 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.575 -14.886 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.734 -16.381 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.923 -16.433 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.594 -16.779 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.889 -15.146 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.364 -16.389 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.262 -18.683 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.979 -18.368 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.584 -18.441 -0.238 1.00 0.00 H new ATOM 469 N PRO A 36 1.880 -15.953 -0.695 1.00 0.00 N ATOM 470 CA PRO A 36 3.215 -15.557 -1.153 1.00 0.00 C ATOM 471 C PRO A 36 3.186 -14.904 -2.531 1.00 0.00 C ATOM 472 O PRO A 36 4.215 -14.462 -3.041 1.00 0.00 O ATOM 473 CB PRO A 36 3.979 -16.883 -1.207 1.00 0.00 C ATOM 474 CG PRO A 36 2.926 -17.919 -1.398 1.00 0.00 C ATOM 475 CD PRO A 36 1.711 -17.415 -0.669 1.00 0.00 C ATOM 0 HA PRO A 36 3.667 -14.814 -0.496 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.697 -16.893 -2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.541 -17.054 -0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.712 -18.067 -2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.249 -18.881 -1.000 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.789 -17.722 -1.164 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.667 -17.796 0.351 1.00 0.00 H new ATOM 483 N ASP A 37 2.000 -14.846 -3.127 1.00 0.00 N ATOM 484 CA ASP A 37 1.836 -14.245 -4.446 1.00 0.00 C ATOM 485 C ASP A 37 1.102 -12.911 -4.347 1.00 0.00 C ATOM 486 O ASP A 37 1.304 -12.018 -5.170 1.00 0.00 O ATOM 487 CB ASP A 37 1.074 -15.194 -5.371 1.00 0.00 C ATOM 488 CG ASP A 37 -0.308 -15.530 -4.845 1.00 0.00 C ATOM 489 OD1 ASP A 37 -1.207 -14.668 -4.944 1.00 0.00 O ATOM 490 OD2 ASP A 37 -0.491 -16.655 -4.336 1.00 0.00 O ATOM 0 H ASP A 37 1.138 -15.208 -2.718 1.00 0.00 H new ATOM 0 HA ASP A 37 2.827 -14.064 -4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.983 -14.740 -6.358 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.646 -16.114 -5.494 1.00 0.00 H new ATOM 495 N SER A 38 0.248 -12.784 -3.337 1.00 0.00 N ATOM 496 CA SER A 38 -0.520 -11.562 -3.133 1.00 0.00 C ATOM 497 C SER A 38 0.333 -10.330 -3.420 1.00 0.00 C ATOM 498 O SER A 38 1.557 -10.365 -3.294 1.00 0.00 O ATOM 499 CB SER A 38 -1.057 -11.504 -1.702 1.00 0.00 C ATOM 500 OG SER A 38 -1.837 -12.648 -1.403 1.00 0.00 O ATOM 0 H SER A 38 0.070 -13.513 -2.646 1.00 0.00 H new ATOM 0 HA SER A 38 -1.360 -11.570 -3.827 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.225 -11.434 -1.001 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.660 -10.605 -1.573 1.00 0.00 H new ATOM 0 HG SER A 38 -2.591 -12.702 -2.027 1.00 0.00 H new ATOM 506 N LYS A 39 -0.323 -9.241 -3.805 1.00 0.00 N ATOM 507 CA LYS A 39 0.373 -7.996 -4.109 1.00 0.00 C ATOM 508 C LYS A 39 -0.352 -6.803 -3.494 1.00 0.00 C ATOM 509 O LYS A 39 -1.551 -6.866 -3.221 1.00 0.00 O ATOM 510 CB LYS A 39 0.491 -7.809 -5.623 1.00 0.00 C ATOM 511 CG LYS A 39 1.260 -6.563 -6.025 1.00 0.00 C ATOM 512 CD LYS A 39 1.786 -6.666 -7.446 1.00 0.00 C ATOM 513 CE LYS A 39 2.986 -7.596 -7.531 1.00 0.00 C ATOM 514 NZ LYS A 39 4.178 -7.028 -6.843 1.00 0.00 N ATOM 0 H LYS A 39 -1.336 -9.195 -3.914 1.00 0.00 H new ATOM 0 HA LYS A 39 1.372 -8.054 -3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.982 -8.683 -6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.509 -7.763 -6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.612 -5.691 -5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.093 -6.411 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.995 -7.030 -8.102 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.066 -5.675 -7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.733 -8.557 -7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.226 -7.784 -8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.997 -7.060 -7.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.987 -6.041 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.384 -7.585 -5.989 1.00 0.00 H new ATOM 528 N VAL A 40 0.381 -5.716 -3.280 1.00 0.00 N ATOM 529 CA VAL A 40 -0.193 -4.507 -2.700 1.00 0.00 C ATOM 530 C VAL A 40 -0.047 -3.321 -3.647 1.00 0.00 C ATOM 531 O VAL A 40 1.063 -2.945 -4.022 1.00 0.00 O ATOM 532 CB VAL A 40 0.470 -4.161 -1.354 1.00 0.00 C ATOM 533 CG1 VAL A 40 -0.147 -2.902 -0.763 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.351 -5.328 -0.386 1.00 0.00 C ATOM 0 H VAL A 40 1.375 -5.647 -3.500 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.252 -4.707 -2.534 1.00 0.00 H new ATOM 0 HB VAL A 40 1.529 -3.970 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.334 -2.673 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.004 -2.069 -1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.213 -3.061 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.825 -5.066 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.702 -5.553 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.844 -6.203 -0.809 1.00 0.00 H new ATOM 544 N VAL A 41 -1.177 -2.734 -4.029 1.00 0.00 N ATOM 545 CA VAL A 41 -1.176 -1.588 -4.930 1.00 0.00 C ATOM 546 C VAL A 41 -1.814 -0.370 -4.272 1.00 0.00 C ATOM 547 O VAL A 41 -2.660 -0.501 -3.388 1.00 0.00 O ATOM 548 CB VAL A 41 -1.926 -1.902 -6.238 1.00 0.00 C ATOM 549 CG1 VAL A 41 -1.363 -3.157 -6.889 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.417 -2.052 -5.975 1.00 0.00 C ATOM 0 H VAL A 41 -2.105 -3.033 -3.728 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.134 -1.368 -5.161 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.783 -1.069 -6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.905 -3.363 -7.812 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.307 -3.008 -7.114 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.473 -4.001 -6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.931 -2.274 -6.910 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.582 -2.866 -5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.808 -1.124 -5.557 1.00 0.00 H new ATOM 560 N PHE A 42 -1.402 0.816 -4.709 1.00 0.00 N ATOM 561 CA PHE A 42 -1.933 2.059 -4.161 1.00 0.00 C ATOM 562 C PHE A 42 -2.829 2.762 -5.177 1.00 0.00 C ATOM 563 O PHE A 42 -2.789 2.459 -6.370 1.00 0.00 O ATOM 564 CB PHE A 42 -0.790 2.987 -3.745 1.00 0.00 C ATOM 565 CG PHE A 42 -0.073 2.535 -2.504 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.603 1.326 -2.480 1.00 0.00 C ATOM 567 CD2 PHE A 42 -0.076 3.321 -1.363 1.00 0.00 C ATOM 568 CE1 PHE A 42 1.262 0.909 -1.339 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.582 2.908 -0.219 1.00 0.00 C ATOM 570 CZ PHE A 42 1.253 1.701 -0.208 1.00 0.00 C ATOM 0 H PHE A 42 -0.703 0.942 -5.441 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.531 1.814 -3.283 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.074 3.058 -4.564 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.187 3.989 -3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.615 0.703 -3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.598 4.267 -1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.784 -0.036 -1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.571 3.529 0.665 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.770 1.377 0.683 1.00 0.00 H new ATOM 580 N ILE A 43 -3.636 3.700 -4.695 1.00 0.00 N ATOM 581 CA ILE A 43 -4.542 4.446 -5.560 1.00 0.00 C ATOM 582 C ILE A 43 -4.565 5.925 -5.187 1.00 0.00 C ATOM 583 O ILE A 43 -4.169 6.303 -4.085 1.00 0.00 O ATOM 584 CB ILE A 43 -5.975 3.888 -5.490 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.533 4.031 -4.073 1.00 0.00 C ATOM 586 CG2 ILE A 43 -5.998 2.432 -5.931 1.00 0.00 C ATOM 587 CD1 ILE A 43 -8.042 3.950 -4.006 1.00 0.00 C ATOM 0 H ILE A 43 -3.681 3.962 -3.710 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.168 4.336 -6.578 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.607 4.462 -6.168 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.107 3.250 -3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.210 4.986 -3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.018 2.051 -5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.637 2.357 -6.957 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.355 1.843 -5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.367 4.059 -2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.476 4.748 -4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.372 2.985 -4.390 1.00 0.00 H new ATOM 599 N GLU A 44 -5.034 6.756 -6.113 1.00 0.00 N ATOM 600 CA GLU A 44 -5.110 8.193 -5.879 1.00 0.00 C ATOM 601 C GLU A 44 -6.358 8.785 -6.530 1.00 0.00 C ATOM 602 O GLU A 44 -6.707 8.436 -7.657 1.00 0.00 O ATOM 603 CB GLU A 44 -3.860 8.887 -6.424 1.00 0.00 C ATOM 604 CG GLU A 44 -3.954 10.404 -6.417 1.00 0.00 C ATOM 605 CD GLU A 44 -3.075 11.048 -7.472 1.00 0.00 C ATOM 606 OE1 GLU A 44 -1.903 10.634 -7.599 1.00 0.00 O ATOM 607 OE2 GLU A 44 -3.557 11.965 -8.168 1.00 0.00 O ATOM 0 H GLU A 44 -5.366 6.459 -7.030 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.169 8.358 -4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.998 8.582 -5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.682 8.547 -7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.990 10.701 -6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.668 10.777 -5.434 1.00 0.00 H new ATOM 614 N ARG A 45 -7.024 9.681 -5.810 1.00 0.00 N ATOM 615 CA ARG A 45 -8.234 10.320 -6.315 1.00 0.00 C ATOM 616 C ARG A 45 -7.912 11.672 -6.944 1.00 0.00 C ATOM 617 O ARG A 45 -7.154 12.464 -6.385 1.00 0.00 O ATOM 618 CB ARG A 45 -9.251 10.499 -5.187 1.00 0.00 C ATOM 619 CG ARG A 45 -9.768 9.188 -4.619 1.00 0.00 C ATOM 620 CD ARG A 45 -10.741 9.422 -3.473 1.00 0.00 C ATOM 621 NE ARG A 45 -10.074 9.961 -2.291 1.00 0.00 N ATOM 622 CZ ARG A 45 -9.865 11.258 -2.093 1.00 0.00 C ATOM 623 NH1 ARG A 45 -10.268 12.143 -2.994 1.00 0.00 N ATOM 624 NH2 ARG A 45 -9.251 11.672 -0.991 1.00 0.00 N ATOM 0 H ARG A 45 -6.747 9.981 -4.875 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.663 9.675 -7.082 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.793 11.077 -4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.094 11.082 -5.558 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.262 8.619 -5.406 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.929 8.586 -4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.521 10.111 -3.795 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.231 8.483 -3.216 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.751 9.306 -1.579 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.740 11.829 -3.842 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.106 13.138 -2.839 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.939 10.994 -0.296 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.091 12.668 -0.840 1.00 0.00 H new ATOM 638 N GLY A 46 -8.494 11.929 -8.112 1.00 0.00 N ATOM 639 CA GLY A 46 -8.256 13.186 -8.798 1.00 0.00 C ATOM 640 C GLY A 46 -9.417 14.151 -8.659 1.00 0.00 C ATOM 641 O GLY A 46 -10.522 13.773 -8.272 1.00 0.00 O ATOM 0 H GLY A 46 -9.125 11.290 -8.595 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.353 13.649 -8.399 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.074 12.991 -9.855 1.00 0.00 H new ATOM 645 N PRO A 47 -9.170 15.430 -8.980 1.00 0.00 N ATOM 646 CA PRO A 47 -10.190 16.478 -8.895 1.00 0.00 C ATOM 647 C PRO A 47 -11.274 16.319 -9.957 1.00 0.00 C ATOM 648 O PRO A 47 -12.194 17.133 -10.044 1.00 0.00 O ATOM 649 CB PRO A 47 -9.397 17.766 -9.130 1.00 0.00 C ATOM 650 CG PRO A 47 -8.208 17.339 -9.920 1.00 0.00 C ATOM 651 CD PRO A 47 -7.875 15.950 -9.449 1.00 0.00 C ATOM 0 HA PRO A 47 -10.719 16.455 -7.942 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.990 18.502 -9.673 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.102 18.227 -8.187 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.426 17.347 -10.988 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.369 18.017 -9.760 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.465 15.340 -10.254 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.134 15.963 -8.650 1.00 0.00 H new ATOM 659 N ASP A 48 -11.158 15.268 -10.760 1.00 0.00 N ATOM 660 CA ASP A 48 -12.129 15.002 -11.815 1.00 0.00 C ATOM 661 C ASP A 48 -13.297 14.176 -11.283 1.00 0.00 C ATOM 662 O ASP A 48 -14.454 14.433 -11.613 1.00 0.00 O ATOM 663 CB ASP A 48 -11.461 14.271 -12.980 1.00 0.00 C ATOM 664 CG ASP A 48 -10.036 14.733 -13.212 1.00 0.00 C ATOM 665 OD1 ASP A 48 -9.142 14.307 -12.451 1.00 0.00 O ATOM 666 OD2 ASP A 48 -9.814 15.521 -14.155 1.00 0.00 O ATOM 0 H ASP A 48 -10.402 14.586 -10.701 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.515 15.958 -12.169 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.465 13.199 -12.783 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.044 14.430 -13.887 1.00 0.00 H new ATOM 671 N GLY A 49 -12.984 13.181 -10.459 1.00 0.00 N ATOM 672 CA GLY A 49 -14.018 12.331 -9.896 1.00 0.00 C ATOM 673 C GLY A 49 -13.610 10.872 -9.854 1.00 0.00 C ATOM 674 O GLY A 49 -14.036 10.125 -8.972 1.00 0.00 O ATOM 0 H GLY A 49 -12.034 12.948 -10.171 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.252 12.669 -8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.929 12.433 -10.485 1.00 0.00 H new ATOM 678 N LYS A 50 -12.783 10.463 -10.810 1.00 0.00 N ATOM 679 CA LYS A 50 -12.317 9.083 -10.880 1.00 0.00 C ATOM 680 C LYS A 50 -10.867 8.974 -10.417 1.00 0.00 C ATOM 681 O LYS A 50 -10.082 9.909 -10.578 1.00 0.00 O ATOM 682 CB LYS A 50 -12.448 8.550 -12.308 1.00 0.00 C ATOM 683 CG LYS A 50 -13.874 8.564 -12.833 1.00 0.00 C ATOM 684 CD LYS A 50 -14.054 7.587 -13.983 1.00 0.00 C ATOM 685 CE LYS A 50 -13.557 8.173 -15.296 1.00 0.00 C ATOM 686 NZ LYS A 50 -14.423 9.289 -15.768 1.00 0.00 N ATOM 0 H LYS A 50 -12.421 11.068 -11.547 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.939 8.482 -10.216 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.820 9.147 -12.969 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.067 7.529 -12.343 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.562 8.309 -12.027 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -14.131 9.570 -13.165 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.513 6.666 -13.767 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -15.108 7.324 -14.077 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.536 8.534 -15.169 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.527 7.391 -16.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.275 9.436 -16.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.420 9.052 -15.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.179 10.159 -15.254 1.00 0.00 H new ATOM 700 N LEU A 51 -10.518 7.828 -9.844 1.00 0.00 N ATOM 701 CA LEU A 51 -9.162 7.596 -9.359 1.00 0.00 C ATOM 702 C LEU A 51 -8.387 6.698 -10.318 1.00 0.00 C ATOM 703 O LEU A 51 -8.917 5.705 -10.816 1.00 0.00 O ATOM 704 CB LEU A 51 -9.198 6.964 -7.966 1.00 0.00 C ATOM 705 CG LEU A 51 -10.187 5.814 -7.776 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.773 4.611 -8.610 1.00 0.00 C ATOM 707 CD2 LEU A 51 -10.290 5.436 -6.306 1.00 0.00 C ATOM 0 H LEU A 51 -11.156 7.044 -9.704 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.654 8.558 -9.301 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.198 6.600 -7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.434 7.743 -7.241 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.169 6.145 -8.115 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.489 3.802 -8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.752 4.889 -9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.781 4.279 -8.302 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.998 4.616 -6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.311 5.124 -5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.634 6.297 -5.732 1.00 0.00 H new ATOM 719 N GLN A 52 -7.131 7.052 -10.569 1.00 0.00 N ATOM 720 CA GLN A 52 -6.284 6.277 -11.466 1.00 0.00 C ATOM 721 C GLN A 52 -4.813 6.431 -11.095 1.00 0.00 C ATOM 722 O GLN A 52 -4.203 7.468 -11.354 1.00 0.00 O ATOM 723 CB GLN A 52 -6.504 6.714 -12.915 1.00 0.00 C ATOM 724 CG GLN A 52 -7.818 6.226 -13.505 1.00 0.00 C ATOM 725 CD GLN A 52 -7.757 6.063 -15.011 1.00 0.00 C ATOM 726 OE1 GLN A 52 -6.772 5.561 -15.553 1.00 0.00 O ATOM 727 NE2 GLN A 52 -8.812 6.488 -15.696 1.00 0.00 N ATOM 0 H GLN A 52 -6.678 7.871 -10.163 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.558 5.227 -11.365 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.474 7.802 -12.966 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.681 6.344 -13.526 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.084 5.271 -13.051 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.610 6.931 -13.251 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.607 6.898 -15.206 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.827 6.405 -16.712 1.00 0.00 H new ATOM 736 N TRP A 53 -4.250 5.393 -10.487 1.00 0.00 N ATOM 737 CA TRP A 53 -2.849 5.414 -10.079 1.00 0.00 C ATOM 738 C TRP A 53 -2.266 4.005 -10.064 1.00 0.00 C ATOM 739 O TRP A 53 -2.715 3.147 -9.306 1.00 0.00 O ATOM 740 CB TRP A 53 -2.709 6.052 -8.696 1.00 0.00 C ATOM 741 CG TRP A 53 -1.302 6.449 -8.365 1.00 0.00 C ATOM 742 CD1 TRP A 53 -0.352 6.903 -9.235 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.687 6.427 -7.073 1.00 0.00 C ATOM 744 NE1 TRP A 53 0.816 7.164 -8.562 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.637 6.881 -7.234 1.00 0.00 C ATOM 746 CE3 TRP A 53 -1.126 6.070 -5.795 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.523 6.984 -6.165 1.00 0.00 C ATOM 748 CZ3 TRP A 53 -0.245 6.173 -4.735 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.067 6.628 -4.925 1.00 0.00 C ATOM 0 H TRP A 53 -4.741 4.527 -10.266 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.294 6.009 -10.804 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.349 6.933 -8.643 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -3.068 5.351 -7.942 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.498 7.037 -10.297 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.677 7.512 -8.983 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.136 5.720 -5.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.535 7.333 -6.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.573 5.898 -3.743 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.731 6.699 -4.076 1.00 0.00 H new ATOM 760 N GLU A 54 -1.263 3.776 -10.906 1.00 0.00 N ATOM 761 CA GLU A 54 -0.619 2.470 -10.989 1.00 0.00 C ATOM 762 C GLU A 54 0.792 2.522 -10.411 1.00 0.00 C ATOM 763 O GLU A 54 1.696 3.105 -11.007 1.00 0.00 O ATOM 764 CB GLU A 54 -0.570 1.992 -12.441 1.00 0.00 C ATOM 765 CG GLU A 54 0.001 0.593 -12.603 1.00 0.00 C ATOM 766 CD GLU A 54 0.149 0.187 -14.056 1.00 0.00 C ATOM 767 OE1 GLU A 54 0.635 1.014 -14.856 1.00 0.00 O ATOM 768 OE2 GLU A 54 -0.222 -0.956 -14.394 1.00 0.00 O ATOM 0 H GLU A 54 -0.879 4.477 -11.540 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.208 1.765 -10.402 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.578 2.014 -12.856 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.030 2.690 -13.024 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.974 0.543 -12.115 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.647 -0.121 -12.095 1.00 0.00 H new ATOM 775 N GLU A 55 0.971 1.907 -9.246 1.00 0.00 N ATOM 776 CA GLU A 55 2.272 1.884 -8.586 1.00 0.00 C ATOM 777 C GLU A 55 2.490 0.560 -7.859 1.00 0.00 C ATOM 778 O GLU A 55 1.817 0.265 -6.872 1.00 0.00 O ATOM 779 CB GLU A 55 2.388 3.047 -7.598 1.00 0.00 C ATOM 780 CG GLU A 55 2.947 4.317 -8.216 1.00 0.00 C ATOM 781 CD GLU A 55 4.340 4.125 -8.785 1.00 0.00 C ATOM 782 OE1 GLU A 55 4.449 3.699 -9.954 1.00 0.00 O ATOM 783 OE2 GLU A 55 5.320 4.400 -8.062 1.00 0.00 O ATOM 0 H GLU A 55 0.232 1.418 -8.740 1.00 0.00 H new ATOM 0 HA GLU A 55 3.041 1.989 -9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.403 3.259 -7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.027 2.745 -6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.279 4.656 -9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.972 5.103 -7.462 1.00 0.00 H new ATOM 790 N GLU A 56 3.435 -0.232 -8.356 1.00 0.00 N ATOM 791 CA GLU A 56 3.741 -1.525 -7.754 1.00 0.00 C ATOM 792 C GLU A 56 4.695 -1.364 -6.575 1.00 0.00 C ATOM 793 O GLU A 56 5.627 -0.562 -6.622 1.00 0.00 O ATOM 794 CB GLU A 56 4.353 -2.465 -8.795 1.00 0.00 C ATOM 795 CG GLU A 56 4.739 -3.824 -8.236 1.00 0.00 C ATOM 796 CD GLU A 56 5.390 -4.718 -9.273 1.00 0.00 C ATOM 797 OE1 GLU A 56 4.798 -4.897 -10.358 1.00 0.00 O ATOM 798 OE2 GLU A 56 6.492 -5.238 -8.999 1.00 0.00 O ATOM 0 H GLU A 56 4.001 -0.002 -9.173 1.00 0.00 H new ATOM 0 HA GLU A 56 2.809 -1.956 -7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.641 -2.605 -9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.237 -1.993 -9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.423 -3.687 -7.399 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.850 -4.317 -7.844 1.00 0.00 H new ATOM 805 N ALA A 57 4.454 -2.132 -5.517 1.00 0.00 N ATOM 806 CA ALA A 57 5.292 -2.076 -4.326 1.00 0.00 C ATOM 807 C ALA A 57 6.228 -3.278 -4.256 1.00 0.00 C ATOM 808 O ALA A 57 5.854 -4.392 -4.623 1.00 0.00 O ATOM 809 CB ALA A 57 4.428 -2.004 -3.076 1.00 0.00 C ATOM 0 H ALA A 57 3.685 -2.800 -5.461 1.00 0.00 H new ATOM 0 HA ALA A 57 5.904 -1.176 -4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.067 -1.963 -2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.805 -1.110 -3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.792 -2.887 -3.022 1.00 0.00 H new ATOM 815 N THR A 58 7.449 -3.045 -3.783 1.00 0.00 N ATOM 816 CA THR A 58 8.439 -4.108 -3.668 1.00 0.00 C ATOM 817 C THR A 58 8.055 -5.101 -2.576 1.00 0.00 C ATOM 818 O THR A 58 8.305 -4.867 -1.394 1.00 0.00 O ATOM 819 CB THR A 58 9.838 -3.542 -3.361 1.00 0.00 C ATOM 820 OG1 THR A 58 10.232 -2.626 -4.389 1.00 0.00 O ATOM 821 CG2 THR A 58 10.863 -4.661 -3.251 1.00 0.00 C ATOM 0 H THR A 58 7.775 -2.129 -3.474 1.00 0.00 H new ATOM 0 HA THR A 58 8.465 -4.621 -4.630 1.00 0.00 H new ATOM 0 HB THR A 58 9.792 -3.018 -2.406 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.122 -2.269 -4.186 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.843 -4.237 -3.034 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.576 -5.340 -2.448 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.906 -5.209 -4.192 1.00 0.00 H new ATOM 829 N VAL A 59 7.446 -6.211 -2.980 1.00 0.00 N ATOM 830 CA VAL A 59 7.029 -7.242 -2.036 1.00 0.00 C ATOM 831 C VAL A 59 8.146 -8.251 -1.796 1.00 0.00 C ATOM 832 O VAL A 59 8.817 -8.685 -2.731 1.00 0.00 O ATOM 833 CB VAL A 59 5.777 -7.987 -2.536 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.560 -9.262 -1.736 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.555 -7.085 -2.459 1.00 0.00 C ATOM 0 H VAL A 59 7.230 -6.420 -3.955 1.00 0.00 H new ATOM 0 HA VAL A 59 6.792 -6.737 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 59 5.931 -8.263 -3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.671 -9.775 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.427 -9.913 -1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.426 -9.013 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.679 -7.627 -2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.395 -6.777 -1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.714 -6.203 -3.080 1.00 0.00 H new ATOM 845 N ASN A 60 8.339 -8.622 -0.534 1.00 0.00 N ATOM 846 CA ASN A 60 9.375 -9.581 -0.170 1.00 0.00 C ATOM 847 C ASN A 60 8.762 -10.841 0.433 1.00 0.00 C ATOM 848 O ASN A 60 8.647 -10.966 1.653 1.00 0.00 O ATOM 849 CB ASN A 60 10.355 -8.952 0.823 1.00 0.00 C ATOM 850 CG ASN A 60 11.746 -9.546 0.717 1.00 0.00 C ATOM 851 OD1 ASN A 60 12.250 -9.784 -0.381 1.00 0.00 O ATOM 852 ND2 ASN A 60 12.375 -9.789 1.861 1.00 0.00 N ATOM 0 H ASN A 60 7.792 -8.273 0.253 1.00 0.00 H new ATOM 0 HA ASN A 60 9.914 -9.858 -1.076 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.407 -7.878 0.647 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.980 -9.091 1.837 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.314 -10.188 1.852 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.920 -9.576 2.749 1.00 0.00 H new ATOM 859 N ARG A 61 8.370 -11.773 -0.430 1.00 0.00 N ATOM 860 CA ARG A 61 7.768 -13.024 0.017 1.00 0.00 C ATOM 861 C ARG A 61 8.678 -13.741 1.010 1.00 0.00 C ATOM 862 O ARG A 61 8.209 -14.475 1.881 1.00 0.00 O ATOM 863 CB ARG A 61 7.483 -13.934 -1.179 1.00 0.00 C ATOM 864 CG ARG A 61 8.735 -14.375 -1.920 1.00 0.00 C ATOM 865 CD ARG A 61 9.334 -13.236 -2.729 1.00 0.00 C ATOM 866 NE ARG A 61 10.171 -13.722 -3.823 1.00 0.00 N ATOM 867 CZ ARG A 61 10.986 -12.945 -4.526 1.00 0.00 C ATOM 868 NH1 ARG A 61 11.076 -11.651 -4.251 1.00 0.00 N ATOM 869 NH2 ARG A 61 11.716 -13.461 -5.507 1.00 0.00 N ATOM 0 H ARG A 61 8.458 -11.686 -1.442 1.00 0.00 H new ATOM 0 HA ARG A 61 6.829 -12.788 0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.946 -14.817 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.825 -13.412 -1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.472 -14.742 -1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.493 -15.206 -2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.532 -12.618 -3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.928 -12.599 -2.074 1.00 0.00 H new ATOM 0 HE ARG A 61 10.127 -14.713 -4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.518 -11.250 -3.497 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.703 -11.057 -4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.651 -14.456 -5.722 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.342 -12.863 -6.046 1.00 0.00 H new ATOM 883 N LEU A 62 9.982 -13.524 0.873 1.00 0.00 N ATOM 884 CA LEU A 62 10.958 -14.150 1.758 1.00 0.00 C ATOM 885 C LEU A 62 10.569 -13.960 3.220 1.00 0.00 C ATOM 886 O LEU A 62 10.516 -14.920 3.988 1.00 0.00 O ATOM 887 CB LEU A 62 12.350 -13.566 1.508 1.00 0.00 C ATOM 888 CG LEU A 62 13.169 -14.231 0.401 1.00 0.00 C ATOM 889 CD1 LEU A 62 12.863 -13.594 -0.946 1.00 0.00 C ATOM 890 CD2 LEU A 62 14.656 -14.141 0.710 1.00 0.00 C ATOM 0 H LEU A 62 10.387 -12.920 0.158 1.00 0.00 H new ATOM 0 HA LEU A 62 10.975 -15.218 1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.240 -12.509 1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.918 -13.623 2.437 1.00 0.00 H new ATOM 0 HG LEU A 62 12.891 -15.284 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.455 -14.080 -1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.803 -13.711 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.111 -12.533 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.223 -14.619 -0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 62 14.949 -13.094 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.863 -14.645 1.654 1.00 0.00 H new ATOM 902 N GLN A 63 10.297 -12.715 3.597 1.00 0.00 N ATOM 903 CA GLN A 63 9.911 -12.399 4.968 1.00 0.00 C ATOM 904 C GLN A 63 8.422 -12.651 5.186 1.00 0.00 C ATOM 905 O GLN A 63 8.023 -13.246 6.187 1.00 0.00 O ATOM 906 CB GLN A 63 10.247 -10.943 5.292 1.00 0.00 C ATOM 907 CG GLN A 63 11.737 -10.642 5.268 1.00 0.00 C ATOM 908 CD GLN A 63 12.495 -11.362 6.366 1.00 0.00 C ATOM 909 OE1 GLN A 63 12.573 -12.590 6.380 1.00 0.00 O ATOM 910 NE2 GLN A 63 13.059 -10.598 7.295 1.00 0.00 N ATOM 0 H GLN A 63 10.337 -11.909 2.973 1.00 0.00 H new ATOM 0 HA GLN A 63 10.473 -13.051 5.637 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.742 -10.294 4.576 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.851 -10.698 6.278 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.147 -10.930 4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.889 -9.568 5.371 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.969 -9.583 7.244 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.582 -11.026 8.059 1.00 0.00 H new ATOM 919 N SER A 64 7.605 -12.194 4.242 1.00 0.00 N ATOM 920 CA SER A 64 6.160 -12.365 4.333 1.00 0.00 C ATOM 921 C SER A 64 5.810 -13.766 4.827 1.00 0.00 C ATOM 922 O SER A 64 6.452 -14.746 4.453 1.00 0.00 O ATOM 923 CB SER A 64 5.509 -12.114 2.972 1.00 0.00 C ATOM 924 OG SER A 64 4.099 -12.231 3.052 1.00 0.00 O ATOM 0 H SER A 64 7.920 -11.702 3.405 1.00 0.00 H new ATOM 0 HA SER A 64 5.777 -11.639 5.050 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.775 -11.119 2.616 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.895 -12.827 2.243 1.00 0.00 H new ATOM 0 HG SER A 64 3.816 -12.143 3.986 1.00 0.00 H new ATOM 930 N ASN A 65 4.785 -13.850 5.669 1.00 0.00 N ATOM 931 CA ASN A 65 4.348 -15.130 6.215 1.00 0.00 C ATOM 932 C ASN A 65 2.856 -15.341 5.980 1.00 0.00 C ATOM 933 O ASN A 65 2.149 -14.426 5.558 1.00 0.00 O ATOM 934 CB ASN A 65 4.655 -15.200 7.712 1.00 0.00 C ATOM 935 CG ASN A 65 4.611 -16.619 8.245 1.00 0.00 C ATOM 936 OD1 ASN A 65 4.958 -17.569 7.543 1.00 0.00 O ATOM 937 ND2 ASN A 65 4.184 -16.770 9.494 1.00 0.00 N ATOM 0 H ASN A 65 4.242 -13.048 5.988 1.00 0.00 H new ATOM 0 HA ASN A 65 4.894 -15.921 5.701 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.641 -14.775 7.898 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.936 -14.588 8.257 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.134 -17.701 9.907 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.906 -15.955 10.040 1.00 0.00 H new ATOM 944 N GLU A 66 2.384 -16.553 6.256 1.00 0.00 N ATOM 945 CA GLU A 66 0.975 -16.883 6.073 1.00 0.00 C ATOM 946 C GLU A 66 0.081 -15.796 6.663 1.00 0.00 C ATOM 947 O GLU A 66 -1.053 -15.604 6.223 1.00 0.00 O ATOM 948 CB GLU A 66 0.656 -18.230 6.725 1.00 0.00 C ATOM 949 CG GLU A 66 -0.585 -18.900 6.160 1.00 0.00 C ATOM 950 CD GLU A 66 -0.689 -20.361 6.553 1.00 0.00 C ATOM 951 OE1 GLU A 66 0.367 -21.003 6.733 1.00 0.00 O ATOM 952 OE2 GLU A 66 -1.825 -20.863 6.679 1.00 0.00 O ATOM 0 H GLU A 66 2.956 -17.322 6.607 1.00 0.00 H new ATOM 0 HA GLU A 66 0.779 -16.949 5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.509 -18.897 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.523 -18.083 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.471 -18.370 6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.574 -18.820 5.073 1.00 0.00 H new ATOM 959 N VAL A 67 0.599 -15.088 7.661 1.00 0.00 N ATOM 960 CA VAL A 67 -0.151 -14.020 8.311 1.00 0.00 C ATOM 961 C VAL A 67 0.704 -12.769 8.474 1.00 0.00 C ATOM 962 O VAL A 67 0.579 -12.041 9.460 1.00 0.00 O ATOM 963 CB VAL A 67 -0.668 -14.459 9.694 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.587 -15.664 9.563 1.00 0.00 C ATOM 965 CG2 VAL A 67 0.495 -14.764 10.625 1.00 0.00 C ATOM 0 H VAL A 67 1.536 -15.235 8.037 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.002 -13.794 7.668 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.243 -13.639 10.125 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.942 -15.960 10.550 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.438 -15.406 8.933 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.040 -16.492 9.111 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.111 -15.073 11.597 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.099 -15.567 10.202 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.110 -13.872 10.744 1.00 0.00 H new ATOM 975 N THR A 68 1.575 -12.522 7.500 1.00 0.00 N ATOM 976 CA THR A 68 2.452 -11.359 7.535 1.00 0.00 C ATOM 977 C THR A 68 2.850 -10.928 6.128 1.00 0.00 C ATOM 978 O THR A 68 3.211 -11.758 5.292 1.00 0.00 O ATOM 979 CB THR A 68 3.726 -11.640 8.354 1.00 0.00 C ATOM 980 OG1 THR A 68 3.376 -12.024 9.688 1.00 0.00 O ATOM 981 CG2 THR A 68 4.626 -10.414 8.393 1.00 0.00 C ATOM 0 H THR A 68 1.691 -13.113 6.677 1.00 0.00 H new ATOM 0 HA THR A 68 1.892 -10.555 8.013 1.00 0.00 H new ATOM 0 HB THR A 68 4.268 -12.454 7.873 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.191 -12.202 10.202 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.519 -10.637 8.977 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.915 -10.142 7.378 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.090 -9.584 8.852 1.00 0.00 H new ATOM 989 N LEU A 69 2.784 -9.626 5.873 1.00 0.00 N ATOM 990 CA LEU A 69 3.139 -9.084 4.566 1.00 0.00 C ATOM 991 C LEU A 69 4.191 -7.987 4.698 1.00 0.00 C ATOM 992 O LEU A 69 3.894 -6.877 5.143 1.00 0.00 O ATOM 993 CB LEU A 69 1.896 -8.533 3.865 1.00 0.00 C ATOM 994 CG LEU A 69 1.131 -9.519 2.981 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.108 -8.860 2.395 1.00 0.00 C ATOM 996 CD2 LEU A 69 2.030 -10.049 1.873 1.00 0.00 C ATOM 0 H LEU A 69 2.488 -8.926 6.554 1.00 0.00 H new ATOM 0 HA LEU A 69 3.558 -9.893 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.214 -8.152 4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.196 -7.683 3.252 1.00 0.00 H new ATOM 0 HG LEU A 69 0.813 -10.360 3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.640 -9.577 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.761 -8.530 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.187 -8.001 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.470 -10.749 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.378 -9.219 1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.887 -10.559 2.313 1.00 0.00 H new ATOM 1008 N THR A 70 5.421 -8.303 4.307 1.00 0.00 N ATOM 1009 CA THR A 70 6.517 -7.344 4.381 1.00 0.00 C ATOM 1010 C THR A 70 6.848 -6.780 3.004 1.00 0.00 C ATOM 1011 O THR A 70 7.267 -7.512 2.107 1.00 0.00 O ATOM 1012 CB THR A 70 7.784 -7.984 4.980 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.493 -8.533 6.270 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.902 -6.960 5.099 1.00 0.00 C ATOM 0 H THR A 70 5.684 -9.216 3.936 1.00 0.00 H new ATOM 0 HA THR A 70 6.186 -6.535 5.032 1.00 0.00 H new ATOM 0 HB THR A 70 8.112 -8.781 4.313 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.303 -8.939 6.643 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.786 -7.435 5.524 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.141 -6.566 4.111 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.581 -6.144 5.747 1.00 0.00 H new ATOM 1022 N LEU A 71 6.658 -5.476 2.844 1.00 0.00 N ATOM 1023 CA LEU A 71 6.938 -4.812 1.575 1.00 0.00 C ATOM 1024 C LEU A 71 7.479 -3.405 1.803 1.00 0.00 C ATOM 1025 O LEU A 71 7.475 -2.901 2.927 1.00 0.00 O ATOM 1026 CB LEU A 71 5.672 -4.751 0.719 1.00 0.00 C ATOM 1027 CG LEU A 71 4.600 -3.760 1.174 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.684 -3.395 0.017 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.797 -4.337 2.331 1.00 0.00 C ATOM 0 H LEU A 71 6.311 -4.857 3.577 1.00 0.00 H new ATOM 0 HA LEU A 71 7.697 -5.392 1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.960 -4.500 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.229 -5.746 0.690 1.00 0.00 H new ATOM 0 HG LEU A 71 5.095 -2.852 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.928 -2.689 0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.270 -2.939 -0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.196 -4.295 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.039 -3.618 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.313 -5.260 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.463 -4.546 3.168 1.00 0.00 H new ATOM 1041 N THR A 72 7.942 -2.772 0.730 1.00 0.00 N ATOM 1042 CA THR A 72 8.486 -1.423 0.813 1.00 0.00 C ATOM 1043 C THR A 72 7.553 -0.413 0.153 1.00 0.00 C ATOM 1044 O THR A 72 7.335 -0.454 -1.058 1.00 0.00 O ATOM 1045 CB THR A 72 9.873 -1.334 0.149 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.773 -2.259 0.769 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.435 0.076 0.257 1.00 0.00 C ATOM 0 H THR A 72 7.951 -3.173 -0.208 1.00 0.00 H new ATOM 0 HA THR A 72 8.583 -1.186 1.872 1.00 0.00 H new ATOM 0 HB THR A 72 9.763 -1.585 -0.906 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.652 -2.198 0.340 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.415 0.115 -0.219 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.762 0.775 -0.240 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.531 0.350 1.308 1.00 0.00 H new ATOM 1055 N VAL A 73 7.006 0.493 0.956 1.00 0.00 N ATOM 1056 CA VAL A 73 6.098 1.515 0.449 1.00 0.00 C ATOM 1057 C VAL A 73 6.640 2.148 -0.828 1.00 0.00 C ATOM 1058 O VAL A 73 7.819 2.488 -0.929 1.00 0.00 O ATOM 1059 CB VAL A 73 5.857 2.620 1.494 1.00 0.00 C ATOM 1060 CG1 VAL A 73 4.954 3.705 0.926 1.00 0.00 C ATOM 1061 CG2 VAL A 73 5.262 2.031 2.764 1.00 0.00 C ATOM 0 H VAL A 73 7.176 0.540 1.961 1.00 0.00 H new ATOM 0 HA VAL A 73 5.153 1.018 0.232 1.00 0.00 H new ATOM 0 HB VAL A 73 6.816 3.074 1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.795 4.477 1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.424 4.146 0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.995 3.270 0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.098 2.826 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.312 1.550 2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.949 1.294 3.180 1.00 0.00 H new ATOM 1071 N PRO A 74 5.761 2.311 -1.827 1.00 0.00 N ATOM 1072 CA PRO A 74 6.128 2.905 -3.116 1.00 0.00 C ATOM 1073 C PRO A 74 6.425 4.396 -3.003 1.00 0.00 C ATOM 1074 O PRO A 74 6.124 5.023 -1.988 1.00 0.00 O ATOM 1075 CB PRO A 74 4.887 2.670 -3.981 1.00 0.00 C ATOM 1076 CG PRO A 74 3.763 2.565 -3.010 1.00 0.00 C ATOM 1077 CD PRO A 74 4.340 1.928 -1.776 1.00 0.00 C ATOM 0 HA PRO A 74 7.038 2.465 -3.524 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.731 3.491 -4.680 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.984 1.761 -4.574 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.349 3.548 -2.785 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.951 1.963 -3.417 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.857 2.296 -0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.215 0.845 -1.787 1.00 0.00 H new ATOM 1085 N GLU A 75 7.018 4.958 -4.053 1.00 0.00 N ATOM 1086 CA GLU A 75 7.355 6.376 -4.070 1.00 0.00 C ATOM 1087 C GLU A 75 6.333 7.169 -4.880 1.00 0.00 C ATOM 1088 O GLU A 75 6.108 6.891 -6.058 1.00 0.00 O ATOM 1089 CB GLU A 75 8.755 6.583 -4.652 1.00 0.00 C ATOM 1090 CG GLU A 75 9.007 7.999 -5.142 1.00 0.00 C ATOM 1091 CD GLU A 75 10.481 8.355 -5.163 1.00 0.00 C ATOM 1092 OE1 GLU A 75 11.087 8.439 -4.074 1.00 0.00 O ATOM 1093 OE2 GLU A 75 11.029 8.550 -6.269 1.00 0.00 O ATOM 0 H GLU A 75 7.274 4.453 -4.901 1.00 0.00 H new ATOM 0 HA GLU A 75 7.339 6.739 -3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.496 6.333 -3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.901 5.889 -5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.596 8.111 -6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.476 8.702 -4.500 1.00 0.00 H new ATOM 1100 N TYR A 76 5.717 8.156 -4.239 1.00 0.00 N ATOM 1101 CA TYR A 76 4.717 8.988 -4.898 1.00 0.00 C ATOM 1102 C TYR A 76 5.218 9.469 -6.257 1.00 0.00 C ATOM 1103 O TYR A 76 6.423 9.571 -6.486 1.00 0.00 O ATOM 1104 CB TYR A 76 4.362 10.188 -4.019 1.00 0.00 C ATOM 1105 CG TYR A 76 3.013 10.793 -4.336 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.882 9.994 -4.455 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.869 12.163 -4.517 1.00 0.00 C ATOM 1108 CE1 TYR A 76 0.648 10.542 -4.745 1.00 0.00 C ATOM 1109 CE2 TYR A 76 1.638 12.719 -4.806 1.00 0.00 C ATOM 1110 CZ TYR A 76 0.531 11.905 -4.920 1.00 0.00 C ATOM 1111 OH TYR A 76 -0.697 12.455 -5.209 1.00 0.00 O ATOM 0 H TYR A 76 5.892 8.399 -3.264 1.00 0.00 H new ATOM 0 HA TYR A 76 3.824 8.383 -5.054 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.376 9.879 -2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.130 10.953 -4.135 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.970 8.926 -4.318 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.734 12.804 -4.430 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.221 9.907 -4.834 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.543 13.786 -4.942 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.093 11.988 -5.974 1.00 0.00 H new ATOM 1121 N SER A 77 4.282 9.764 -7.154 1.00 0.00 N ATOM 1122 CA SER A 77 4.627 10.231 -8.492 1.00 0.00 C ATOM 1123 C SER A 77 4.940 11.724 -8.482 1.00 0.00 C ATOM 1124 O SER A 77 6.009 12.148 -8.917 1.00 0.00 O ATOM 1125 CB SER A 77 3.482 9.945 -9.465 1.00 0.00 C ATOM 1126 OG SER A 77 3.759 10.478 -10.749 1.00 0.00 O ATOM 0 H SER A 77 3.280 9.688 -6.979 1.00 0.00 H new ATOM 0 HA SER A 77 5.516 9.693 -8.820 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.325 8.869 -9.541 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.558 10.376 -9.081 1.00 0.00 H new ATOM 0 HG SER A 77 3.013 10.281 -11.353 1.00 0.00 H new ATOM 1132 N ASN A 78 3.997 12.517 -7.981 1.00 0.00 N ATOM 1133 CA ASN A 78 4.171 13.963 -7.914 1.00 0.00 C ATOM 1134 C ASN A 78 4.941 14.361 -6.659 1.00 0.00 C ATOM 1135 O ASN A 78 4.588 15.324 -5.979 1.00 0.00 O ATOM 1136 CB ASN A 78 2.810 14.662 -7.934 1.00 0.00 C ATOM 1137 CG ASN A 78 2.913 16.114 -8.361 1.00 0.00 C ATOM 1138 OD1 ASN A 78 3.709 16.879 -7.816 1.00 0.00 O ATOM 1139 ND2 ASN A 78 2.105 16.500 -9.342 1.00 0.00 N ATOM 0 H ASN A 78 3.105 12.182 -7.616 1.00 0.00 H new ATOM 0 HA ASN A 78 4.746 14.276 -8.786 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.142 14.133 -8.614 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.362 14.609 -6.942 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.129 17.465 -9.672 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.461 15.832 -9.765 1.00 0.00 H new ATOM 1146 N LYS A 79 5.997 13.613 -6.357 1.00 0.00 N ATOM 1147 CA LYS A 79 6.820 13.887 -5.185 1.00 0.00 C ATOM 1148 C LYS A 79 7.021 15.387 -5.000 1.00 0.00 C ATOM 1149 O LYS A 79 7.012 15.891 -3.877 1.00 0.00 O ATOM 1150 CB LYS A 79 8.178 13.192 -5.316 1.00 0.00 C ATOM 1151 CG LYS A 79 8.194 11.779 -4.759 1.00 0.00 C ATOM 1152 CD LYS A 79 9.581 11.384 -4.281 1.00 0.00 C ATOM 1153 CE LYS A 79 9.908 12.015 -2.936 1.00 0.00 C ATOM 1154 NZ LYS A 79 10.529 13.360 -3.091 1.00 0.00 N ATOM 0 H LYS A 79 6.303 12.811 -6.908 1.00 0.00 H new ATOM 0 HA LYS A 79 6.302 13.497 -4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.462 13.162 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.932 13.786 -4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.488 11.705 -3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.860 11.081 -5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.644 10.299 -4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.322 11.692 -5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.997 12.102 -2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.586 11.363 -2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.247 13.498 -2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.977 13.430 -4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.796 14.093 -3.003 1.00 0.00 H new ATOM 1168 N ARG A 80 7.201 16.097 -6.110 1.00 0.00 N ATOM 1169 CA ARG A 80 7.403 17.540 -6.069 1.00 0.00 C ATOM 1170 C ARG A 80 6.571 18.175 -4.959 1.00 0.00 C ATOM 1171 O ARG A 80 7.026 19.092 -4.275 1.00 0.00 O ATOM 1172 CB ARG A 80 7.038 18.166 -7.416 1.00 0.00 C ATOM 1173 CG ARG A 80 8.157 18.100 -8.442 1.00 0.00 C ATOM 1174 CD ARG A 80 9.175 19.210 -8.228 1.00 0.00 C ATOM 1175 NE ARG A 80 10.100 18.902 -7.141 1.00 0.00 N ATOM 1176 CZ ARG A 80 11.035 17.962 -7.216 1.00 0.00 C ATOM 1177 NH1 ARG A 80 11.168 17.241 -8.321 1.00 0.00 N ATOM 1178 NH2 ARG A 80 11.839 17.740 -6.184 1.00 0.00 N ATOM 0 H ARG A 80 7.211 15.696 -7.048 1.00 0.00 H new ATOM 0 HA ARG A 80 8.457 17.728 -5.862 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.160 17.660 -7.816 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.761 19.209 -7.259 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.654 17.132 -8.378 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.738 18.178 -9.445 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.737 19.369 -9.148 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.654 20.142 -8.008 1.00 0.00 H new ATOM 0 HE ARG A 80 10.024 19.438 -6.277 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.551 17.408 -9.116 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.887 16.520 -8.376 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.739 18.292 -5.332 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.557 17.018 -6.243 1.00 0.00 H new ATOM 1192 N VAL A 81 5.350 17.680 -4.785 1.00 0.00 N ATOM 1193 CA VAL A 81 4.454 18.198 -3.758 1.00 0.00 C ATOM 1194 C VAL A 81 5.198 18.433 -2.448 1.00 0.00 C ATOM 1195 O VAL A 81 6.062 17.646 -2.063 1.00 0.00 O ATOM 1196 CB VAL A 81 3.278 17.238 -3.502 1.00 0.00 C ATOM 1197 CG1 VAL A 81 2.426 17.091 -4.754 1.00 0.00 C ATOM 1198 CG2 VAL A 81 3.788 15.884 -3.033 1.00 0.00 C ATOM 0 H VAL A 81 4.958 16.921 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 81 4.065 19.147 -4.127 1.00 0.00 H new ATOM 0 HB VAL A 81 2.654 17.659 -2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.600 16.409 -4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.031 18.065 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.036 16.694 -5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.943 15.218 -2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.435 15.454 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.351 16.008 -2.108 1.00 0.00 H new ATOM 1208 N SER A 82 4.855 19.522 -1.766 1.00 0.00 N ATOM 1209 CA SER A 82 5.493 19.863 -0.500 1.00 0.00 C ATOM 1210 C SER A 82 4.517 19.699 0.661 1.00 0.00 C ATOM 1211 O SER A 82 4.796 20.118 1.785 1.00 0.00 O ATOM 1212 CB SER A 82 6.019 21.300 -0.540 1.00 0.00 C ATOM 1213 OG SER A 82 7.323 21.350 -1.092 1.00 0.00 O ATOM 0 H SER A 82 4.139 20.182 -2.069 1.00 0.00 H new ATOM 0 HA SER A 82 6.330 19.182 -0.348 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.346 21.921 -1.132 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.031 21.714 0.468 1.00 0.00 H new ATOM 0 HG SER A 82 7.636 22.279 -1.108 1.00 0.00 H new ATOM 1219 N ARG A 83 3.372 19.085 0.381 1.00 0.00 N ATOM 1220 CA ARG A 83 2.354 18.866 1.401 1.00 0.00 C ATOM 1221 C ARG A 83 1.929 17.401 1.438 1.00 0.00 C ATOM 1222 O ARG A 83 2.106 16.653 0.477 1.00 0.00 O ATOM 1223 CB ARG A 83 1.137 19.755 1.136 1.00 0.00 C ATOM 1224 CG ARG A 83 1.282 21.166 1.682 1.00 0.00 C ATOM 1225 CD ARG A 83 0.419 22.153 0.912 1.00 0.00 C ATOM 1226 NE ARG A 83 -0.972 22.125 1.356 1.00 0.00 N ATOM 1227 CZ ARG A 83 -1.964 22.718 0.702 1.00 0.00 C ATOM 1228 NH1 ARG A 83 -1.720 23.383 -0.419 1.00 0.00 N ATOM 1229 NH2 ARG A 83 -3.204 22.648 1.169 1.00 0.00 N ATOM 0 H ARG A 83 3.126 18.731 -0.543 1.00 0.00 H new ATOM 0 HA ARG A 83 2.782 19.127 2.369 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.963 19.807 0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.256 19.292 1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.001 21.180 2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.326 21.473 1.626 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.819 23.159 1.037 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.465 21.922 -0.152 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.194 21.622 2.215 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.768 23.440 -0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.484 23.837 -0.919 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.396 22.138 2.031 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.965 23.104 0.666 1.00 0.00 H new ATOM 1243 N PRO A 84 1.355 16.980 2.575 1.00 0.00 N ATOM 1244 CA PRO A 84 0.893 15.602 2.766 1.00 0.00 C ATOM 1245 C PRO A 84 -0.329 15.277 1.913 1.00 0.00 C ATOM 1246 O PRO A 84 -1.249 16.087 1.795 1.00 0.00 O ATOM 1247 CB PRO A 84 0.536 15.550 4.253 1.00 0.00 C ATOM 1248 CG PRO A 84 0.220 16.960 4.617 1.00 0.00 C ATOM 1249 CD PRO A 84 1.112 17.817 3.762 1.00 0.00 C ATOM 0 HA PRO A 84 1.648 14.874 2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.316 14.894 4.433 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.365 15.165 4.846 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.831 17.185 4.433 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.404 17.140 5.676 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.631 18.759 3.498 1.00 0.00 H new ATOM 0 HD3 PRO A 84 2.041 18.066 4.275 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.333 14.087 1.321 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.443 13.655 0.481 1.00 0.00 C ATOM 1259 C VAL A 85 -2.082 12.382 1.026 1.00 0.00 C ATOM 1260 O VAL A 85 -1.394 11.510 1.556 1.00 0.00 O ATOM 1261 CB VAL A 85 -0.986 13.406 -0.969 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -2.165 12.998 -1.838 1.00 0.00 C ATOM 1263 CG2 VAL A 85 -0.302 14.643 -1.531 1.00 0.00 C ATOM 0 H VAL A 85 0.420 13.405 1.408 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.178 14.460 0.490 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.265 12.588 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.823 12.826 -2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.607 12.083 -1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.912 13.792 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.015 14.450 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.999 15.481 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.569 14.886 -0.922 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.400 12.284 0.891 1.00 0.00 N ATOM 1274 CA GLN A 86 -4.132 11.117 1.370 1.00 0.00 C ATOM 1275 C GLN A 86 -4.303 10.087 0.258 1.00 0.00 C ATOM 1276 O GLN A 86 -4.758 10.412 -0.839 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.500 11.534 1.911 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.307 10.378 2.481 1.00 0.00 C ATOM 1279 CD GLN A 86 -6.033 10.146 3.954 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -5.962 11.092 4.740 1.00 0.00 O ATOM 1281 NE2 GLN A 86 -5.878 8.884 4.337 1.00 0.00 N ATOM 0 H GLN A 86 -3.983 12.998 0.454 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.554 10.662 2.175 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.361 12.286 2.687 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.070 12.004 1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.369 10.577 2.340 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.076 9.469 1.925 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.945 8.131 3.652 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.692 8.667 5.316 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.936 8.843 0.549 1.00 0.00 N ATOM 1291 CA VAL A 87 -4.050 7.765 -0.426 1.00 0.00 C ATOM 1292 C VAL A 87 -4.561 6.485 0.227 1.00 0.00 C ATOM 1293 O VAL A 87 -4.719 6.418 1.446 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.697 7.477 -1.105 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -2.141 8.740 -1.745 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.711 6.898 -0.102 1.00 0.00 C ATOM 0 H VAL A 87 -3.557 8.557 1.452 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.764 8.095 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.854 6.740 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.185 8.517 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.842 9.107 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.997 9.503 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.761 6.701 -0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.556 7.610 0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.109 5.968 0.304 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.818 5.472 -0.593 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.314 4.194 -0.096 1.00 0.00 C ATOM 1308 C TYR A 88 -4.663 3.031 -0.838 1.00 0.00 C ATOM 1309 O TYR A 88 -4.272 3.161 -1.998 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.835 4.121 -0.243 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.567 5.230 0.478 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.849 6.432 -0.158 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -7.979 5.074 1.796 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -8.517 7.448 0.498 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -8.649 6.084 2.460 1.00 0.00 C ATOM 1316 CZ TYR A 88 -8.915 7.269 1.806 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.582 8.278 2.463 1.00 0.00 O ATOM 0 H TYR A 88 -4.691 5.511 -1.604 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.054 4.118 0.960 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.091 4.156 -1.302 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.183 3.160 0.137 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.541 6.575 -1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.772 4.147 2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.726 8.377 -0.011 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -8.962 5.946 3.484 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.792 7.991 3.376 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.552 1.893 -0.161 1.00 0.00 N ATOM 1328 CA PHE A 89 -3.949 0.706 -0.755 1.00 0.00 C ATOM 1329 C PHE A 89 -4.719 -0.550 -0.361 1.00 0.00 C ATOM 1330 O PHE A 89 -5.474 -0.550 0.612 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.487 0.579 -0.320 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.301 0.604 1.170 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.556 -0.524 1.933 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -1.869 1.755 1.808 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -2.386 -0.504 3.304 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -1.697 1.782 3.179 1.00 0.00 C ATOM 1337 CZ PHE A 89 -1.955 0.651 3.928 1.00 0.00 C ATOM 0 H PHE A 89 -4.872 1.768 0.799 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.991 0.811 -1.839 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.079 -0.352 -0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.912 1.392 -0.764 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.892 -1.430 1.450 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.664 2.642 1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.590 -1.390 3.887 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.361 2.687 3.664 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.820 0.669 4.999 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.524 -1.620 -1.124 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.203 -2.883 -0.857 1.00 0.00 C ATOM 1349 C TYR A 90 -4.396 -4.060 -1.398 1.00 0.00 C ATOM 1350 O TYR A 90 -3.449 -3.879 -2.164 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.599 -2.878 -1.481 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.589 -2.740 -2.987 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.418 -3.851 -3.804 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -6.749 -1.500 -3.593 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.407 -3.731 -5.180 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -6.741 -1.371 -4.968 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.570 -2.489 -5.758 1.00 0.00 C ATOM 1358 OH TYR A 90 -6.559 -2.364 -7.128 1.00 0.00 O ATOM 0 H TYR A 90 -3.902 -1.638 -1.932 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.296 -2.995 0.223 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.111 -3.802 -1.213 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.176 -2.058 -1.053 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.292 -4.825 -3.355 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.882 -0.622 -2.978 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.272 -4.605 -5.800 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.868 -0.400 -5.423 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.687 -1.424 -7.372 1.00 0.00 H new ATOM 1368 N VAL A 91 -4.779 -5.267 -0.995 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.094 -6.475 -1.439 1.00 0.00 C ATOM 1370 C VAL A 91 -4.898 -7.198 -2.515 1.00 0.00 C ATOM 1371 O VAL A 91 -6.128 -7.184 -2.499 1.00 0.00 O ATOM 1372 CB VAL A 91 -3.841 -7.440 -0.266 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -2.999 -8.623 -0.720 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -3.173 -6.711 0.889 1.00 0.00 C ATOM 0 H VAL A 91 -5.561 -5.434 -0.361 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.136 -6.162 -1.854 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.801 -7.821 0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.830 -9.294 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.522 -9.159 -1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.041 -8.265 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.002 -7.408 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.220 -6.300 0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.818 -5.901 1.230 1.00 0.00 H new ATOM 1384 N SER A 92 -4.193 -7.830 -3.448 1.00 0.00 N ATOM 1385 CA SER A 92 -4.840 -8.556 -4.533 1.00 0.00 C ATOM 1386 C SER A 92 -4.614 -10.059 -4.392 1.00 0.00 C ATOM 1387 O SER A 92 -3.479 -10.532 -4.419 1.00 0.00 O ATOM 1388 CB SER A 92 -4.310 -8.074 -5.885 1.00 0.00 C ATOM 1389 OG SER A 92 -5.270 -8.272 -6.909 1.00 0.00 O ATOM 0 H SER A 92 -3.174 -7.854 -3.474 1.00 0.00 H new ATOM 0 HA SER A 92 -5.911 -8.360 -4.480 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.053 -7.017 -5.822 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.394 -8.610 -6.132 1.00 0.00 H new ATOM 0 HG SER A 92 -4.908 -7.954 -7.763 1.00 0.00 H new ATOM 1395 N ASN A 93 -5.704 -10.803 -4.241 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.626 -12.252 -4.095 1.00 0.00 C ATOM 1397 C ASN A 93 -6.597 -12.948 -5.045 1.00 0.00 C ATOM 1398 O ASN A 93 -7.799 -13.003 -4.790 1.00 0.00 O ATOM 1399 CB ASN A 93 -5.930 -12.657 -2.651 1.00 0.00 C ATOM 1400 CG ASN A 93 -4.835 -12.236 -1.690 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -3.920 -11.499 -2.059 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.923 -12.705 -0.451 1.00 0.00 N ATOM 0 H ASN A 93 -6.652 -10.427 -4.216 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.612 -12.563 -4.347 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.874 -12.208 -2.342 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.059 -13.738 -2.599 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.214 -12.457 0.240 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.699 -13.313 -0.190 1.00 0.00 H new ATOM 1409 N GLY A 94 -6.065 -13.479 -6.141 1.00 0.00 N ATOM 1410 CA GLY A 94 -6.898 -14.165 -7.112 1.00 0.00 C ATOM 1411 C GLY A 94 -7.497 -13.218 -8.134 1.00 0.00 C ATOM 1412 O GLY A 94 -6.797 -12.372 -8.691 1.00 0.00 O ATOM 0 H GLY A 94 -5.073 -13.447 -6.374 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.304 -14.921 -7.626 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.700 -14.689 -6.592 1.00 0.00 H new ATOM 1416 N ARG A 95 -8.794 -13.361 -8.381 1.00 0.00 N ATOM 1417 CA ARG A 95 -9.486 -12.514 -9.345 1.00 0.00 C ATOM 1418 C ARG A 95 -10.522 -11.634 -8.650 1.00 0.00 C ATOM 1419 O ARG A 95 -10.406 -10.409 -8.643 1.00 0.00 O ATOM 1420 CB ARG A 95 -10.165 -13.371 -10.415 1.00 0.00 C ATOM 1421 CG ARG A 95 -9.193 -14.198 -11.240 1.00 0.00 C ATOM 1422 CD ARG A 95 -8.348 -13.321 -12.150 1.00 0.00 C ATOM 1423 NE ARG A 95 -7.110 -12.893 -11.503 1.00 0.00 N ATOM 1424 CZ ARG A 95 -6.001 -13.625 -11.481 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -5.976 -14.814 -12.068 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -4.915 -13.168 -10.873 1.00 0.00 N ATOM 0 H ARG A 95 -9.387 -14.055 -7.927 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.747 -11.870 -9.821 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.880 -14.039 -9.934 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.733 -12.722 -11.081 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.543 -14.767 -10.576 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.746 -14.920 -11.840 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.110 -13.868 -13.062 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.924 -12.444 -12.446 1.00 0.00 H new ATOM 0 HE ARG A 95 -7.096 -11.983 -11.043 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.809 -15.168 -12.538 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.124 -15.374 -12.050 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.930 -12.254 -10.421 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.065 -13.731 -10.857 1.00 0.00 H new ATOM 1440 N ARG A 96 -11.534 -12.269 -8.067 1.00 0.00 N ATOM 1441 CA ARG A 96 -12.591 -11.544 -7.371 1.00 0.00 C ATOM 1442 C ARG A 96 -12.225 -11.323 -5.907 1.00 0.00 C ATOM 1443 O ARG A 96 -12.428 -10.238 -5.361 1.00 0.00 O ATOM 1444 CB ARG A 96 -13.912 -12.309 -7.468 1.00 0.00 C ATOM 1445 CG ARG A 96 -15.051 -11.656 -6.703 1.00 0.00 C ATOM 1446 CD ARG A 96 -16.288 -12.541 -6.682 1.00 0.00 C ATOM 1447 NE ARG A 96 -16.034 -13.821 -6.027 1.00 0.00 N ATOM 1448 CZ ARG A 96 -16.995 -14.613 -5.563 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -18.267 -14.257 -5.683 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -16.685 -15.763 -4.979 1.00 0.00 N ATOM 0 H ARG A 96 -11.644 -13.283 -8.063 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.706 -10.571 -7.849 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -14.194 -12.398 -8.517 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -13.765 -13.321 -7.090 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -14.733 -11.449 -5.681 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -15.296 -10.698 -7.161 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -17.096 -12.023 -6.165 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -16.625 -12.717 -7.703 1.00 0.00 H new ATOM 0 HE ARG A 96 -15.066 -14.124 -5.920 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -18.509 -13.374 -6.132 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -19.003 -14.866 -5.326 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.708 -16.040 -4.886 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -17.424 -16.370 -4.623 1.00 0.00 H new ATOM 1464 N LYS A 97 -11.684 -12.359 -5.274 1.00 0.00 N ATOM 1465 CA LYS A 97 -11.289 -12.280 -3.873 1.00 0.00 C ATOM 1466 C LYS A 97 -10.313 -11.129 -3.648 1.00 0.00 C ATOM 1467 O LYS A 97 -9.184 -11.156 -4.137 1.00 0.00 O ATOM 1468 CB LYS A 97 -10.652 -13.597 -3.426 1.00 0.00 C ATOM 1469 CG LYS A 97 -11.539 -14.809 -3.652 1.00 0.00 C ATOM 1470 CD LYS A 97 -10.736 -16.099 -3.637 1.00 0.00 C ATOM 1471 CE LYS A 97 -11.626 -17.307 -3.386 1.00 0.00 C ATOM 1472 NZ LYS A 97 -11.848 -17.540 -1.932 1.00 0.00 N ATOM 0 H LYS A 97 -11.509 -13.264 -5.710 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.184 -12.097 -3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.714 -13.738 -3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.405 -13.530 -2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.307 -14.848 -2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.054 -14.711 -4.608 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.219 -16.218 -4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.970 -16.043 -2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -12.586 -17.160 -3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.171 -18.192 -3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.459 -18.372 -1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.934 -17.706 -1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.306 -16.706 -1.513 1.00 0.00 H new ATOM 1486 N ARG A 98 -10.756 -10.121 -2.903 1.00 0.00 N ATOM 1487 CA ARG A 98 -9.921 -8.961 -2.613 1.00 0.00 C ATOM 1488 C ARG A 98 -10.154 -8.467 -1.188 1.00 0.00 C ATOM 1489 O ARG A 98 -11.087 -8.903 -0.514 1.00 0.00 O ATOM 1490 CB ARG A 98 -10.210 -7.836 -3.608 1.00 0.00 C ATOM 1491 CG ARG A 98 -9.353 -7.896 -4.862 1.00 0.00 C ATOM 1492 CD ARG A 98 -10.082 -7.318 -6.064 1.00 0.00 C ATOM 1493 NE ARG A 98 -9.388 -7.607 -7.316 1.00 0.00 N ATOM 1494 CZ ARG A 98 -9.985 -7.609 -8.503 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -11.279 -7.338 -8.599 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -9.286 -7.882 -9.598 1.00 0.00 N ATOM 0 H ARG A 98 -11.688 -10.084 -2.490 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.878 -9.262 -2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.261 -7.877 -3.894 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.051 -6.877 -3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.427 -7.345 -4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.077 -8.931 -5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.092 -7.727 -6.107 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.180 -6.239 -5.944 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.391 -7.819 -7.277 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.819 -7.127 -7.760 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.734 -7.340 -9.512 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.290 -8.090 -9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.745 -7.883 -10.509 1.00 0.00 H new ATOM 1510 N SER A 99 -9.299 -7.555 -0.737 1.00 0.00 N ATOM 1511 CA SER A 99 -9.408 -7.005 0.609 1.00 0.00 C ATOM 1512 C SER A 99 -9.735 -5.515 0.562 1.00 0.00 C ATOM 1513 O SER A 99 -9.454 -4.823 -0.417 1.00 0.00 O ATOM 1514 CB SER A 99 -8.107 -7.229 1.382 1.00 0.00 C ATOM 1515 OG SER A 99 -7.224 -6.132 1.223 1.00 0.00 O ATOM 0 H SER A 99 -8.523 -7.181 -1.284 1.00 0.00 H new ATOM 0 HA SER A 99 -10.220 -7.522 1.121 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.329 -7.371 2.440 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.625 -8.142 1.032 1.00 0.00 H new ATOM 0 HG SER A 99 -6.401 -6.299 1.728 1.00 0.00 H new ATOM 1521 N PRO A 100 -10.344 -5.009 1.645 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.722 -3.597 1.753 1.00 0.00 C ATOM 1523 C PRO A 100 -9.510 -2.681 1.884 1.00 0.00 C ATOM 1524 O PRO A 100 -8.534 -3.017 2.556 1.00 0.00 O ATOM 1525 CB PRO A 100 -11.567 -3.553 3.028 1.00 0.00 C ATOM 1526 CG PRO A 100 -11.094 -4.711 3.836 1.00 0.00 C ATOM 1527 CD PRO A 100 -10.709 -5.776 2.847 1.00 0.00 C ATOM 0 HA PRO A 100 -11.248 -3.246 0.865 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.428 -2.614 3.563 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.630 -3.636 2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.244 -4.431 4.459 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.877 -5.065 4.506 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.875 -6.378 3.208 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.535 -6.460 2.652 1.00 0.00 H new ATOM 1535 N THR A 101 -9.579 -1.520 1.240 1.00 0.00 N ATOM 1536 CA THR A 101 -8.488 -0.555 1.284 1.00 0.00 C ATOM 1537 C THR A 101 -8.225 -0.087 2.711 1.00 0.00 C ATOM 1538 O THR A 101 -9.001 -0.378 3.621 1.00 0.00 O ATOM 1539 CB THR A 101 -8.785 0.671 0.400 1.00 0.00 C ATOM 1540 OG1 THR A 101 -9.991 1.308 0.836 1.00 0.00 O ATOM 1541 CG2 THR A 101 -8.918 0.266 -1.060 1.00 0.00 C ATOM 0 H THR A 101 -10.380 -1.225 0.681 1.00 0.00 H new ATOM 0 HA THR A 101 -7.602 -1.063 0.902 1.00 0.00 H new ATOM 0 HB THR A 101 -7.952 1.368 0.492 1.00 0.00 H new ATOM 0 HG1 THR A 101 -10.172 2.087 0.270 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.128 1.148 -1.665 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.988 -0.192 -1.397 1.00 0.00 H new ATOM 0 HG23 THR A 101 -9.734 -0.449 -1.166 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.128 0.639 2.899 1.00 0.00 N ATOM 1550 CA GLN A 102 -6.765 1.147 4.216 1.00 0.00 C ATOM 1551 C GLN A 102 -6.415 2.630 4.151 1.00 0.00 C ATOM 1552 O GLN A 102 -5.640 3.058 3.295 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.583 0.357 4.783 1.00 0.00 C ATOM 1554 CG GLN A 102 -5.865 -1.128 4.942 1.00 0.00 C ATOM 1555 CD GLN A 102 -7.072 -1.403 5.816 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -7.129 -0.974 6.970 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -8.048 -2.121 5.271 1.00 0.00 N ATOM 0 H GLN A 102 -6.475 0.889 2.156 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.625 1.024 4.874 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.722 0.487 4.127 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.311 0.773 5.753 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.025 -1.571 3.959 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.991 -1.616 5.373 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -7.960 -2.457 4.312 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -8.886 -2.337 5.812 1.00 0.00 H new ATOM 1566 N SER A 103 -6.993 3.409 5.059 1.00 0.00 N ATOM 1567 CA SER A 103 -6.746 4.846 5.102 1.00 0.00 C ATOM 1568 C SER A 103 -5.265 5.136 5.326 1.00 0.00 C ATOM 1569 O SER A 103 -4.697 4.766 6.354 1.00 0.00 O ATOM 1570 CB SER A 103 -7.578 5.495 6.209 1.00 0.00 C ATOM 1571 OG SER A 103 -7.770 6.877 5.959 1.00 0.00 O ATOM 0 H SER A 103 -7.636 3.070 5.775 1.00 0.00 H new ATOM 0 HA SER A 103 -7.040 5.269 4.141 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.545 4.997 6.281 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.079 5.362 7.169 1.00 0.00 H new ATOM 0 HG SER A 103 -8.306 7.268 6.680 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.645 5.801 4.357 1.00 0.00 N ATOM 1578 CA PHE A 104 -3.230 6.141 4.447 1.00 0.00 C ATOM 1579 C PHE A 104 -2.980 7.565 3.960 1.00 0.00 C ATOM 1580 O PHE A 104 -3.792 8.133 3.229 1.00 0.00 O ATOM 1581 CB PHE A 104 -2.394 5.155 3.628 1.00 0.00 C ATOM 1582 CG PHE A 104 -0.973 5.037 4.099 1.00 0.00 C ATOM 1583 CD1 PHE A 104 -0.675 4.389 5.287 1.00 0.00 C ATOM 1584 CD2 PHE A 104 0.065 5.574 3.355 1.00 0.00 C ATOM 1585 CE1 PHE A 104 0.632 4.280 5.724 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.374 5.468 3.787 1.00 0.00 C ATOM 1587 CZ PHE A 104 1.658 4.819 4.972 1.00 0.00 C ATOM 0 H PHE A 104 -5.100 6.115 3.500 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.933 6.077 5.494 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.864 4.172 3.668 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.397 5.468 2.584 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.473 3.964 5.878 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.151 6.081 2.426 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.851 3.774 6.653 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.174 5.892 3.198 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.680 4.733 5.310 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.852 8.135 4.370 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.496 9.493 3.977 1.00 0.00 C ATOM 1599 C ARG A 105 0.017 9.690 4.012 1.00 0.00 C ATOM 1600 O ARG A 105 0.680 9.321 4.982 1.00 0.00 O ATOM 1601 CB ARG A 105 -2.174 10.508 4.900 1.00 0.00 C ATOM 1602 CG ARG A 105 -2.086 11.940 4.398 1.00 0.00 C ATOM 1603 CD ARG A 105 -2.597 12.926 5.437 1.00 0.00 C ATOM 1604 NE ARG A 105 -4.041 13.122 5.343 1.00 0.00 N ATOM 1605 CZ ARG A 105 -4.620 13.893 4.430 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -3.882 14.538 3.537 1.00 0.00 N ATOM 1607 NH2 ARG A 105 -5.941 14.020 4.408 1.00 0.00 N ATOM 0 H ARG A 105 -1.169 7.678 4.974 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.843 9.652 2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.223 10.236 5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.718 10.449 5.888 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -1.052 12.176 4.148 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -2.667 12.042 3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -2.344 12.565 6.434 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.092 13.883 5.307 1.00 0.00 H new ATOM 0 HE ARG A 105 -4.638 12.640 6.016 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.867 14.443 3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -4.330 15.129 2.837 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -6.512 13.525 5.093 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -6.385 14.613 3.706 1.00 0.00 H new ATOM 1621 N PHE A 106 0.557 10.272 2.946 1.00 0.00 N ATOM 1622 CA PHE A 106 1.992 10.517 2.854 1.00 0.00 C ATOM 1623 C PHE A 106 2.349 11.884 3.428 1.00 0.00 C ATOM 1624 O PHE A 106 1.563 12.830 3.346 1.00 0.00 O ATOM 1625 CB PHE A 106 2.453 10.427 1.398 1.00 0.00 C ATOM 1626 CG PHE A 106 2.176 9.094 0.762 1.00 0.00 C ATOM 1627 CD1 PHE A 106 2.661 7.927 1.331 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.432 9.009 -0.403 1.00 0.00 C ATOM 1629 CE1 PHE A 106 2.408 6.699 0.749 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.176 7.783 -0.989 1.00 0.00 C ATOM 1631 CZ PHE A 106 1.665 6.627 -0.413 1.00 0.00 C ATOM 0 H PHE A 106 0.023 10.583 2.134 1.00 0.00 H new ATOM 0 HA PHE A 106 2.504 9.753 3.439 1.00 0.00 H new ATOM 0 HB2 PHE A 106 1.957 11.207 0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.523 10.627 1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.243 7.978 2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.048 9.910 -0.859 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.791 5.797 1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.594 7.729 -1.897 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.467 5.669 -0.870 1.00 0.00 H new ATOM 1641 N LEU A 107 3.539 11.982 4.011 1.00 0.00 N ATOM 1642 CA LEU A 107 4.001 13.234 4.601 1.00 0.00 C ATOM 1643 C LEU A 107 5.263 13.731 3.903 1.00 0.00 C ATOM 1644 O LEU A 107 6.138 12.954 3.521 1.00 0.00 O ATOM 1645 CB LEU A 107 4.271 13.047 6.095 1.00 0.00 C ATOM 1646 CG LEU A 107 3.142 12.412 6.907 1.00 0.00 C ATOM 1647 CD1 LEU A 107 3.623 12.062 8.307 1.00 0.00 C ATOM 1648 CD2 LEU A 107 1.941 13.344 6.971 1.00 0.00 C ATOM 0 H LEU A 107 4.201 11.210 4.088 1.00 0.00 H new ATOM 0 HA LEU A 107 3.217 13.980 4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.163 12.432 6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.499 14.021 6.527 1.00 0.00 H new ATOM 0 HG LEU A 107 2.836 11.492 6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.806 11.611 8.870 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.451 11.356 8.241 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.957 12.967 8.814 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.147 12.875 7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.233 14.282 7.444 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.581 13.544 5.962 1.00 0.00 H new ATOM 1660 N PRO A 108 5.362 15.058 3.733 1.00 0.00 N ATOM 1661 CA PRO A 108 6.514 15.689 3.083 1.00 0.00 C ATOM 1662 C PRO A 108 7.777 15.605 3.933 1.00 0.00 C ATOM 1663 O PRO A 108 7.745 15.861 5.136 1.00 0.00 O ATOM 1664 CB PRO A 108 6.075 17.146 2.920 1.00 0.00 C ATOM 1665 CG PRO A 108 5.064 17.360 3.993 1.00 0.00 C ATOM 1666 CD PRO A 108 4.356 16.044 4.163 1.00 0.00 C ATOM 0 HA PRO A 108 6.771 15.199 2.144 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.918 17.828 3.029 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.648 17.323 1.933 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.541 17.669 4.923 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.363 18.148 3.717 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.051 15.882 5.197 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.454 15.991 3.553 1.00 0.00 H new ATOM 1674 N VAL A 109 8.889 15.246 3.299 1.00 0.00 N ATOM 1675 CA VAL A 109 10.164 15.130 3.997 1.00 0.00 C ATOM 1676 C VAL A 109 10.876 16.476 4.067 1.00 0.00 C ATOM 1677 O VAL A 109 11.405 16.856 5.112 1.00 0.00 O ATOM 1678 CB VAL A 109 11.088 14.107 3.310 1.00 0.00 C ATOM 1679 CG1 VAL A 109 12.432 14.042 4.020 1.00 0.00 C ATOM 1680 CG2 VAL A 109 10.430 12.737 3.271 1.00 0.00 C ATOM 0 H VAL A 109 8.933 15.030 2.303 1.00 0.00 H new ATOM 0 HA VAL A 109 9.942 14.787 5.008 1.00 0.00 H new ATOM 0 HB VAL A 109 11.261 14.431 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 109 13.072 13.314 3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.907 15.023 3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.281 13.742 5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.097 12.027 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.226 12.402 4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.495 12.798 2.715 1.00 0.00 H new