USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 700 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 34 GLN : amide:sc= -7.25! C(o=-6.4!,f=-7!) USER MOD Set 1.2: A 68 THR OG1 : rot 162:sc= 0.82 USER MOD Set 2.1: A 7 GLN : amide:sc= -0.282 K(o=-0.28,f=-3.7!) USER MOD Set 2.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= 0.196 (180deg=0.0856) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.0018) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= -0.118 (180deg=-0.53) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.08) USER MOD Single : A 28 THR OG1 : rot -133:sc= 0.0668 USER MOD Single : A 44 SER OG : rot 94:sc= 0.0823 USER MOD Single : A 45 LYS NZ :NH3+ 150:sc= -0.133 (180deg=-0.572) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0206 K(o=-0.021,f=-1.4) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 150:sc= -0.473 USER MOD Single : A 55 GLN : amide:sc= -0.0236 X(o=-0.024,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.0551 F(o=-0.98,f=-0.055) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 79:sc= 0.496 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 76:sc= -2.26! USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 13 N VAL A 2 3.913 2.019 -0.689 1.00 53.05 N ATOM 14 CA VAL A 2 4.295 3.409 -0.902 1.00 75.23 C ATOM 15 C VAL A 2 5.472 3.799 -0.016 1.00 71.33 C ATOM 16 O VAL A 2 5.749 3.142 0.988 1.00 41.21 O ATOM 17 CB VAL A 2 3.118 4.364 -0.623 1.00 52.33 C ATOM 18 CG1 VAL A 2 1.898 3.959 -1.435 1.00 52.13 C ATOM 19 CG2 VAL A 2 2.795 4.390 0.862 1.00 25.14 C ATOM 0 HA VAL A 2 4.587 3.499 -1.948 1.00 75.23 H new ATOM 0 HB VAL A 2 3.409 5.370 -0.926 1.00 52.33 H new ATOM 0 HG11 VAL A 2 1.077 4.645 -1.225 1.00 52.13 H new ATOM 0 HG12 VAL A 2 2.139 3.996 -2.497 1.00 52.13 H new ATOM 0 HG13 VAL A 2 1.602 2.945 -1.166 1.00 52.13 H new ATOM 0 HG21 VAL A 2 1.962 5.069 1.041 1.00 25.14 H new ATOM 0 HG22 VAL A 2 2.524 3.388 1.193 1.00 25.14 H new ATOM 0 HG23 VAL A 2 3.668 4.732 1.418 1.00 25.14 H new ATOM 29 N ILE A 3 6.161 4.870 -0.393 1.00 71.32 N ATOM 30 CA ILE A 3 7.308 5.347 0.369 1.00 3.10 C ATOM 31 C ILE A 3 7.162 6.825 0.714 1.00 13.35 C ATOM 32 O ILE A 3 6.943 7.660 -0.165 1.00 4.22 O ATOM 33 CB ILE A 3 8.623 5.141 -0.404 1.00 64.50 C ATOM 34 CG1 ILE A 3 8.967 3.651 -0.480 1.00 42.00 C ATOM 35 CG2 ILE A 3 9.753 5.917 0.256 1.00 71.25 C ATOM 36 CD1 ILE A 3 10.099 3.340 -1.435 1.00 32.52 C ATOM 0 H ILE A 3 5.945 5.424 -1.222 1.00 71.32 H new ATOM 0 HA ILE A 3 7.341 4.762 1.288 1.00 3.10 H new ATOM 0 HB ILE A 3 8.494 5.518 -1.419 1.00 64.50 H new ATOM 0 HG12 ILE A 3 9.235 3.297 0.516 1.00 42.00 H new ATOM 0 HG13 ILE A 3 8.080 3.097 -0.788 1.00 42.00 H new ATOM 0 HG21 ILE A 3 10.676 5.761 -0.302 1.00 71.25 H new ATOM 0 HG22 ILE A 3 9.509 6.979 0.264 1.00 71.25 H new ATOM 0 HG23 ILE A 3 9.885 5.567 1.280 1.00 71.25 H new ATOM 0 HD11 ILE A 3 10.288 2.267 -1.438 1.00 32.52 H new ATOM 0 HD12 ILE A 3 9.827 3.663 -2.440 1.00 32.52 H new ATOM 0 HD13 ILE A 3 10.999 3.866 -1.116 1.00 32.52 H new ATOM 48 N ILE A 4 7.285 7.142 1.999 1.00 61.25 N ATOM 49 CA ILE A 4 7.170 8.520 2.460 1.00 54.50 C ATOM 50 C ILE A 4 8.355 9.357 1.993 1.00 42.45 C ATOM 51 O ILE A 4 9.473 9.203 2.487 1.00 73.15 O ATOM 52 CB ILE A 4 7.077 8.594 3.996 1.00 62.44 C ATOM 53 CG1 ILE A 4 5.750 8.005 4.477 1.00 64.40 C ATOM 54 CG2 ILE A 4 7.226 10.034 4.467 1.00 60.44 C ATOM 55 CD1 ILE A 4 5.555 8.100 5.974 1.00 53.10 C ATOM 0 H ILE A 4 7.464 6.463 2.739 1.00 61.25 H new ATOM 0 HA ILE A 4 6.253 8.921 2.029 1.00 54.50 H new ATOM 0 HB ILE A 4 7.890 8.007 4.423 1.00 62.44 H new ATOM 0 HG12 ILE A 4 4.930 8.522 3.978 1.00 64.40 H new ATOM 0 HG13 ILE A 4 5.696 6.958 4.177 1.00 64.40 H new ATOM 0 HG21 ILE A 4 7.158 10.070 5.554 1.00 60.44 H new ATOM 0 HG22 ILE A 4 8.194 10.422 4.151 1.00 60.44 H new ATOM 0 HG23 ILE A 4 6.432 10.643 4.034 1.00 60.44 H new ATOM 0 HD11 ILE A 4 4.594 7.663 6.244 1.00 53.10 H new ATOM 0 HD12 ILE A 4 6.354 7.559 6.480 1.00 53.10 H new ATOM 0 HD13 ILE A 4 5.576 9.147 6.278 1.00 53.10 H new ATOM 67 N LYS A 5 8.105 10.247 1.037 1.00 32.53 N ATOM 68 CA LYS A 5 9.150 11.112 0.503 1.00 21.42 C ATOM 69 C LYS A 5 8.691 12.566 0.477 1.00 55.35 C ATOM 70 O LYS A 5 7.499 12.864 0.399 1.00 55.23 O ATOM 71 CB LYS A 5 9.542 10.663 -0.906 1.00 54.20 C ATOM 72 CG LYS A 5 10.237 9.313 -0.943 1.00 54.13 C ATOM 73 CD LYS A 5 9.598 8.385 -1.964 1.00 31.14 C ATOM 74 CE LYS A 5 10.593 7.358 -2.482 1.00 51.43 C ATOM 75 NZ LYS A 5 10.809 7.489 -3.951 1.00 35.14 N ATOM 0 H LYS A 5 7.186 10.387 0.616 1.00 32.53 H new ATOM 0 HA LYS A 5 10.020 11.036 1.156 1.00 21.42 H new ATOM 0 HB2 LYS A 5 8.647 10.618 -1.526 1.00 54.20 H new ATOM 0 HB3 LYS A 5 10.199 11.413 -1.348 1.00 54.20 H new ATOM 0 HG2 LYS A 5 11.291 9.452 -1.185 1.00 54.13 H new ATOM 0 HG3 LYS A 5 10.195 8.854 0.045 1.00 54.13 H new ATOM 0 HD2 LYS A 5 8.748 7.874 -1.511 1.00 31.14 H new ATOM 0 HD3 LYS A 5 9.211 8.971 -2.798 1.00 31.14 H new ATOM 0 HE2 LYS A 5 11.544 7.479 -1.963 1.00 51.43 H new ATOM 0 HE3 LYS A 5 10.231 6.355 -2.256 1.00 51.43 H new ATOM 0 HZ1 LYS A 5 11.652 6.946 -4.228 1.00 35.14 H new ATOM 0 HZ2 LYS A 5 9.979 7.121 -4.458 1.00 35.14 H new ATOM 0 HZ3 LYS A 5 10.947 8.491 -4.194 1.00 35.14 H new ATOM 89 N PRO A 6 9.657 13.494 0.540 1.00 54.31 N ATOM 90 CA PRO A 6 9.375 14.932 0.522 1.00 44.31 C ATOM 91 C PRO A 6 8.873 15.409 -0.836 1.00 61.53 C ATOM 92 O PRO A 6 8.565 14.599 -1.711 1.00 41.52 O ATOM 93 CB PRO A 6 10.733 15.564 0.840 1.00 21.44 C ATOM 94 CG PRO A 6 11.734 14.553 0.398 1.00 23.02 C ATOM 95 CD PRO A 6 11.099 13.210 0.634 1.00 0.22 C ATOM 0 HA PRO A 6 8.588 15.200 1.226 1.00 44.31 H new ATOM 0 HB2 PRO A 6 10.864 16.508 0.311 1.00 21.44 H new ATOM 0 HB3 PRO A 6 10.830 15.779 1.904 1.00 21.44 H new ATOM 0 HG2 PRO A 6 11.985 14.686 -0.654 1.00 23.02 H new ATOM 0 HG3 PRO A 6 12.662 14.650 0.962 1.00 23.02 H new ATOM 0 HD2 PRO A 6 11.414 12.480 -0.111 1.00 0.22 H new ATOM 0 HD3 PRO A 6 11.366 12.805 1.610 1.00 0.22 H new ATOM 103 N GLN A 7 8.793 16.724 -1.006 1.00 3.12 N ATOM 104 CA GLN A 7 8.327 17.306 -2.258 1.00 41.35 C ATOM 105 C GLN A 7 9.388 18.220 -2.862 1.00 45.02 C ATOM 106 O GLN A 7 9.158 18.865 -3.885 1.00 23.23 O ATOM 107 CB GLN A 7 7.032 18.088 -2.032 1.00 65.15 C ATOM 108 CG GLN A 7 7.068 18.979 -0.801 1.00 14.22 C ATOM 109 CD GLN A 7 6.449 18.319 0.415 1.00 51.02 C ATOM 110 OE1 GLN A 7 6.528 17.101 0.583 1.00 54.14 O ATOM 111 NE2 GLN A 7 5.828 19.120 1.273 1.00 42.12 N ATOM 0 H GLN A 7 9.045 17.407 -0.292 1.00 3.12 H new ATOM 0 HA GLN A 7 8.134 16.492 -2.957 1.00 41.35 H new ATOM 0 HB2 GLN A 7 6.830 18.702 -2.909 1.00 65.15 H new ATOM 0 HB3 GLN A 7 6.204 17.385 -1.938 1.00 65.15 H new ATOM 0 HG2 GLN A 7 8.102 19.244 -0.579 1.00 14.22 H new ATOM 0 HG3 GLN A 7 6.539 19.908 -1.014 1.00 14.22 H new ATOM 0 HE21 GLN A 7 5.786 20.124 1.095 1.00 42.12 H new ATOM 0 HE22 GLN A 7 5.393 18.732 2.110 1.00 42.12 H new ATOM 120 N VAL A 8 10.553 18.271 -2.222 1.00 15.24 N ATOM 121 CA VAL A 8 11.650 19.107 -2.695 1.00 62.51 C ATOM 122 C VAL A 8 12.999 18.509 -2.312 1.00 60.34 C ATOM 123 O VAL A 8 13.068 17.529 -1.571 1.00 62.23 O ATOM 124 CB VAL A 8 11.554 20.535 -2.128 1.00 14.12 C ATOM 125 CG1 VAL A 8 10.245 21.188 -2.546 1.00 42.45 C ATOM 126 CG2 VAL A 8 11.689 20.516 -0.612 1.00 62.14 C ATOM 0 H VAL A 8 10.761 17.743 -1.374 1.00 15.24 H new ATOM 0 HA VAL A 8 11.569 19.151 -3.781 1.00 62.51 H new ATOM 0 HB VAL A 8 12.374 21.126 -2.536 1.00 14.12 H new ATOM 0 HG11 VAL A 8 10.194 22.197 -2.136 1.00 42.45 H new ATOM 0 HG12 VAL A 8 10.193 21.235 -3.634 1.00 42.45 H new ATOM 0 HG13 VAL A 8 9.408 20.600 -2.168 1.00 42.45 H new ATOM 0 HG21 VAL A 8 11.619 21.534 -0.228 1.00 62.14 H new ATOM 0 HG22 VAL A 8 10.891 19.910 -0.183 1.00 62.14 H new ATOM 0 HG23 VAL A 8 12.654 20.090 -0.338 1.00 62.14 H new ATOM 136 N SER A 9 14.071 19.107 -2.823 1.00 22.45 N ATOM 137 CA SER A 9 15.420 18.632 -2.537 1.00 11.13 C ATOM 138 C SER A 9 16.042 19.422 -1.389 1.00 62.24 C ATOM 139 O SER A 9 15.971 20.650 -1.355 1.00 45.24 O ATOM 140 CB SER A 9 16.298 18.746 -3.785 1.00 12.32 C ATOM 141 OG SER A 9 15.528 18.602 -4.966 1.00 22.35 O ATOM 0 H SER A 9 14.031 19.921 -3.437 1.00 22.45 H new ATOM 0 HA SER A 9 15.356 17.585 -2.241 1.00 11.13 H new ATOM 0 HB2 SER A 9 16.802 19.712 -3.792 1.00 12.32 H new ATOM 0 HB3 SER A 9 17.075 17.982 -3.758 1.00 12.32 H new ATOM 0 HG SER A 9 16.112 18.681 -5.749 1.00 22.35 H new ATOM 147 N GLY A 10 16.653 18.707 -0.450 1.00 34.54 N ATOM 148 CA GLY A 10 17.279 19.356 0.687 1.00 21.32 C ATOM 149 C GLY A 10 18.013 18.377 1.582 1.00 42.15 C ATOM 150 O GLY A 10 18.749 17.516 1.100 1.00 64.42 O ATOM 0 H GLY A 10 16.726 17.690 -0.456 1.00 34.54 H new ATOM 0 HA2 GLY A 10 17.978 20.112 0.330 1.00 21.32 H new ATOM 0 HA3 GLY A 10 16.518 19.875 1.269 1.00 21.32 H new ATOM 154 N VAL A 11 17.816 18.509 2.889 1.00 14.33 N ATOM 155 CA VAL A 11 18.466 17.630 3.854 1.00 73.23 C ATOM 156 C VAL A 11 17.595 17.431 5.089 1.00 30.34 C ATOM 157 O VAL A 11 16.923 18.357 5.543 1.00 25.34 O ATOM 158 CB VAL A 11 19.834 18.187 4.288 1.00 42.01 C ATOM 159 CG1 VAL A 11 19.658 19.434 5.140 1.00 31.22 C ATOM 160 CG2 VAL A 11 20.627 17.126 5.037 1.00 1.34 C ATOM 0 H VAL A 11 17.211 19.217 3.305 1.00 14.33 H new ATOM 0 HA VAL A 11 18.614 16.670 3.359 1.00 73.23 H new ATOM 0 HB VAL A 11 20.394 18.464 3.395 1.00 42.01 H new ATOM 0 HG11 VAL A 11 20.636 19.813 5.437 1.00 31.22 H new ATOM 0 HG12 VAL A 11 19.133 20.197 4.565 1.00 31.22 H new ATOM 0 HG13 VAL A 11 19.079 19.188 6.030 1.00 31.22 H new ATOM 0 HG21 VAL A 11 21.591 17.536 5.337 1.00 1.34 H new ATOM 0 HG22 VAL A 11 20.073 16.816 5.923 1.00 1.34 H new ATOM 0 HG23 VAL A 11 20.785 16.264 4.388 1.00 1.34 H new ATOM 170 N ILE A 12 17.613 16.217 5.629 1.00 21.53 N ATOM 171 CA ILE A 12 16.826 15.896 6.814 1.00 3.31 C ATOM 172 C ILE A 12 17.191 16.810 7.979 1.00 22.35 C ATOM 173 O ILE A 12 18.367 17.080 8.226 1.00 35.21 O ATOM 174 CB ILE A 12 17.025 14.431 7.243 1.00 72.41 C ATOM 175 CG1 ILE A 12 16.632 13.486 6.106 1.00 20.01 C ATOM 176 CG2 ILE A 12 16.213 14.129 8.494 1.00 10.42 C ATOM 177 CD1 ILE A 12 15.147 13.475 5.815 1.00 64.40 C ATOM 0 H ILE A 12 18.164 15.439 5.265 1.00 21.53 H new ATOM 0 HA ILE A 12 15.780 16.048 6.549 1.00 3.31 H new ATOM 0 HB ILE A 12 18.079 14.276 7.472 1.00 72.41 H new ATOM 0 HG12 ILE A 12 17.169 13.775 5.202 1.00 20.01 H new ATOM 0 HG13 ILE A 12 16.952 12.475 6.358 1.00 20.01 H new ATOM 0 HG21 ILE A 12 16.365 13.089 8.784 1.00 10.42 H new ATOM 0 HG22 ILE A 12 16.536 14.783 9.304 1.00 10.42 H new ATOM 0 HG23 ILE A 12 15.156 14.298 8.291 1.00 10.42 H new ATOM 0 HD11 ILE A 12 14.941 12.783 4.998 1.00 64.40 H new ATOM 0 HD12 ILE A 12 14.604 13.157 6.705 1.00 64.40 H new ATOM 0 HD13 ILE A 12 14.824 14.477 5.532 1.00 64.40 H new ATOM 189 N VAL A 13 16.175 17.281 8.696 1.00 50.32 N ATOM 190 CA VAL A 13 16.389 18.162 9.838 1.00 34.12 C ATOM 191 C VAL A 13 15.951 17.493 11.136 1.00 11.35 C ATOM 192 O VAL A 13 16.584 17.663 12.178 1.00 75.34 O ATOM 193 CB VAL A 13 15.625 19.489 9.673 1.00 35.44 C ATOM 194 CG1 VAL A 13 16.275 20.586 10.503 1.00 30.11 C ATOM 195 CG2 VAL A 13 15.559 19.887 8.207 1.00 42.44 C ATOM 0 H VAL A 13 15.196 17.067 8.506 1.00 50.32 H new ATOM 0 HA VAL A 13 17.458 18.370 9.883 1.00 34.12 H new ATOM 0 HB VAL A 13 14.606 19.349 10.034 1.00 35.44 H new ATOM 0 HG11 VAL A 13 15.722 21.516 10.374 1.00 30.11 H new ATOM 0 HG12 VAL A 13 16.265 20.301 11.555 1.00 30.11 H new ATOM 0 HG13 VAL A 13 17.305 20.728 10.176 1.00 30.11 H new ATOM 0 HG21 VAL A 13 15.016 20.827 8.109 1.00 42.44 H new ATOM 0 HG22 VAL A 13 16.570 20.010 7.817 1.00 42.44 H new ATOM 0 HG23 VAL A 13 15.044 19.110 7.642 1.00 42.44 H new ATOM 205 N ASN A 14 14.864 16.733 11.066 1.00 14.33 N ATOM 206 CA ASN A 14 14.340 16.038 12.238 1.00 75.14 C ATOM 207 C ASN A 14 13.489 14.840 11.824 1.00 51.53 C ATOM 208 O ASN A 14 13.159 14.675 10.649 1.00 2.23 O ATOM 209 CB ASN A 14 13.510 16.996 13.096 1.00 65.44 C ATOM 210 CG ASN A 14 13.679 16.735 14.580 1.00 32.22 C ATOM 211 OD1 ASN A 14 14.752 16.956 15.142 1.00 31.51 O ATOM 212 ND2 ASN A 14 12.617 16.263 15.222 1.00 4.42 N ATOM 0 H ASN A 14 14.328 16.582 10.211 1.00 14.33 H new ATOM 0 HA ASN A 14 15.185 15.676 12.824 1.00 75.14 H new ATOM 0 HB2 ASN A 14 13.801 18.023 12.875 1.00 65.44 H new ATOM 0 HB3 ASN A 14 12.457 16.899 12.830 1.00 65.44 H new ATOM 0 HD21 ASN A 14 12.670 16.069 16.222 1.00 4.42 H new ATOM 0 HD22 ASN A 14 11.748 16.095 14.715 1.00 4.42 H new ATOM 219 N LYS A 15 13.137 14.008 12.798 1.00 2.51 N ATOM 220 CA LYS A 15 12.324 12.827 12.539 1.00 71.45 C ATOM 221 C LYS A 15 11.298 12.618 13.648 1.00 73.42 C ATOM 222 O LYS A 15 11.618 12.085 14.711 1.00 23.43 O ATOM 223 CB LYS A 15 13.213 11.587 12.412 1.00 40.44 C ATOM 224 CG LYS A 15 14.303 11.511 13.466 1.00 50.25 C ATOM 225 CD LYS A 15 14.924 10.125 13.526 1.00 33.24 C ATOM 226 CE LYS A 15 13.965 9.111 14.131 1.00 60.12 C ATOM 227 NZ LYS A 15 13.523 9.510 15.496 1.00 41.10 N ATOM 0 H LYS A 15 13.403 14.130 13.775 1.00 2.51 H new ATOM 0 HA LYS A 15 11.792 12.983 11.600 1.00 71.45 H new ATOM 0 HB2 LYS A 15 12.590 10.695 12.480 1.00 40.44 H new ATOM 0 HB3 LYS A 15 13.673 11.580 11.424 1.00 40.44 H new ATOM 0 HG2 LYS A 15 15.076 12.248 13.246 1.00 50.25 H new ATOM 0 HG3 LYS A 15 13.887 11.767 14.440 1.00 50.25 H new ATOM 0 HD2 LYS A 15 15.205 9.807 12.522 1.00 33.24 H new ATOM 0 HD3 LYS A 15 15.839 10.160 14.117 1.00 33.24 H new ATOM 0 HE2 LYS A 15 13.094 9.004 13.484 1.00 60.12 H new ATOM 0 HE3 LYS A 15 14.449 8.136 14.177 1.00 60.12 H new ATOM 0 HZ1 LYS A 15 13.148 8.679 15.996 1.00 41.10 H new ATOM 0 HZ2 LYS A 15 14.332 9.896 16.024 1.00 41.10 H new ATOM 0 HZ3 LYS A 15 12.780 10.234 15.423 1.00 41.10 H new ATOM 241 N LEU A 16 10.064 13.039 13.393 1.00 23.22 N ATOM 242 CA LEU A 16 8.990 12.896 14.370 1.00 3.03 C ATOM 243 C LEU A 16 8.085 11.719 14.016 1.00 0.33 C ATOM 244 O LEU A 16 6.886 11.889 13.797 1.00 40.55 O ATOM 245 CB LEU A 16 8.167 14.183 14.443 1.00 31.35 C ATOM 246 CG LEU A 16 8.958 15.490 14.373 1.00 75.30 C ATOM 247 CD1 LEU A 16 9.216 15.880 12.926 1.00 72.30 C ATOM 248 CD2 LEU A 16 8.216 16.601 15.102 1.00 3.45 C ATOM 0 H LEU A 16 9.782 13.482 12.518 1.00 23.22 H new ATOM 0 HA LEU A 16 9.440 12.704 15.344 1.00 3.03 H new ATOM 0 HB2 LEU A 16 7.444 14.175 13.627 1.00 31.35 H new ATOM 0 HB3 LEU A 16 7.599 14.175 15.373 1.00 31.35 H new ATOM 0 HG LEU A 16 9.919 15.338 14.864 1.00 75.30 H new ATOM 0 HD11 LEU A 16 9.780 16.812 12.895 1.00 72.30 H new ATOM 0 HD12 LEU A 16 9.788 15.094 12.434 1.00 72.30 H new ATOM 0 HD13 LEU A 16 8.265 16.014 12.410 1.00 72.30 H new ATOM 0 HD21 LEU A 16 8.793 17.524 15.042 1.00 3.45 H new ATOM 0 HD22 LEU A 16 7.241 16.752 14.639 1.00 3.45 H new ATOM 0 HD23 LEU A 16 8.082 16.324 16.148 1.00 3.45 H new ATOM 260 N PHE A 17 8.668 10.526 13.967 1.00 35.30 N ATOM 261 CA PHE A 17 7.913 9.321 13.641 1.00 23.31 C ATOM 262 C PHE A 17 8.437 8.123 14.428 1.00 52.31 C ATOM 263 O PHE A 17 9.507 8.184 15.036 1.00 72.53 O ATOM 264 CB PHE A 17 7.992 9.034 12.141 1.00 1.02 C ATOM 265 CG PHE A 17 9.085 8.073 11.771 1.00 63.30 C ATOM 266 CD1 PHE A 17 10.412 8.472 11.792 1.00 64.43 C ATOM 267 CD2 PHE A 17 8.787 6.771 11.401 1.00 13.43 C ATOM 268 CE1 PHE A 17 11.421 7.589 11.453 1.00 43.03 C ATOM 269 CE2 PHE A 17 9.791 5.885 11.061 1.00 73.03 C ATOM 270 CZ PHE A 17 11.109 6.295 11.086 1.00 42.44 C ATOM 0 H PHE A 17 9.659 10.367 14.148 1.00 35.30 H new ATOM 0 HA PHE A 17 6.872 9.488 13.917 1.00 23.31 H new ATOM 0 HB2 PHE A 17 7.036 8.631 11.806 1.00 1.02 H new ATOM 0 HB3 PHE A 17 8.148 9.972 11.608 1.00 1.02 H new ATOM 0 HD1 PHE A 17 10.661 9.484 12.076 1.00 64.43 H new ATOM 0 HD2 PHE A 17 7.758 6.445 11.378 1.00 13.43 H new ATOM 0 HE1 PHE A 17 12.452 7.911 11.475 1.00 43.03 H new ATOM 0 HE2 PHE A 17 9.545 4.873 10.776 1.00 73.03 H new ATOM 0 HZ PHE A 17 11.895 5.604 10.819 1.00 42.44 H new ATOM 280 N LYS A 18 7.676 7.034 14.413 1.00 1.20 N ATOM 281 CA LYS A 18 8.061 5.821 15.123 1.00 61.33 C ATOM 282 C LYS A 18 7.999 4.607 14.201 1.00 43.04 C ATOM 283 O LYS A 18 7.285 4.614 13.198 1.00 4.32 O ATOM 284 CB LYS A 18 7.151 5.601 16.333 1.00 14.34 C ATOM 285 CG LYS A 18 7.195 6.737 17.341 1.00 14.50 C ATOM 286 CD LYS A 18 6.127 7.780 17.054 1.00 74.31 C ATOM 287 CE LYS A 18 5.847 8.641 18.276 1.00 13.41 C ATOM 288 NZ LYS A 18 4.499 8.369 18.849 1.00 41.21 N ATOM 0 H LYS A 18 6.788 6.967 13.916 1.00 1.20 H new ATOM 0 HA LYS A 18 9.088 5.943 15.466 1.00 61.33 H new ATOM 0 HB2 LYS A 18 6.125 5.473 15.987 1.00 14.34 H new ATOM 0 HB3 LYS A 18 7.438 4.674 16.830 1.00 14.34 H new ATOM 0 HG2 LYS A 18 7.055 6.338 18.346 1.00 14.50 H new ATOM 0 HG3 LYS A 18 8.178 7.206 17.319 1.00 14.50 H new ATOM 0 HD2 LYS A 18 6.448 8.413 16.227 1.00 74.31 H new ATOM 0 HD3 LYS A 18 5.209 7.285 16.738 1.00 74.31 H new ATOM 0 HE2 LYS A 18 6.608 8.455 19.034 1.00 13.41 H new ATOM 0 HE3 LYS A 18 5.920 9.694 18.003 1.00 13.41 H new ATOM 0 HZ1 LYS A 18 4.346 8.975 19.680 1.00 41.21 H new ATOM 0 HZ2 LYS A 18 3.771 8.571 18.134 1.00 41.21 H new ATOM 0 HZ3 LYS A 18 4.438 7.370 19.133 1.00 41.21 H new ATOM 302 N ALA A 19 8.749 3.567 14.548 1.00 63.22 N ATOM 303 CA ALA A 19 8.775 2.345 13.753 1.00 25.52 C ATOM 304 C ALA A 19 7.674 1.384 14.185 1.00 33.34 C ATOM 305 O ALA A 19 7.687 0.873 15.305 1.00 73.45 O ATOM 306 CB ALA A 19 10.137 1.674 13.862 1.00 72.25 C ATOM 0 H ALA A 19 9.347 3.546 15.374 1.00 63.22 H new ATOM 0 HA ALA A 19 8.596 2.615 12.712 1.00 25.52 H new ATOM 0 HB1 ALA A 19 10.143 0.763 13.264 1.00 72.25 H new ATOM 0 HB2 ALA A 19 10.907 2.353 13.496 1.00 72.25 H new ATOM 0 HB3 ALA A 19 10.338 1.425 14.904 1.00 72.25 H new ATOM 312 N GLY A 20 6.719 1.144 13.291 1.00 21.14 N ATOM 313 CA GLY A 20 5.623 0.245 13.601 1.00 14.02 C ATOM 314 C GLY A 20 4.433 0.968 14.201 1.00 71.10 C ATOM 315 O GLY A 20 3.616 0.362 14.896 1.00 54.14 O ATOM 0 H GLY A 20 6.685 1.556 12.358 1.00 21.14 H new ATOM 0 HA2 GLY A 20 5.311 -0.270 12.692 1.00 14.02 H new ATOM 0 HA3 GLY A 20 5.969 -0.519 14.297 1.00 14.02 H new ATOM 319 N ASP A 21 4.335 2.265 13.934 1.00 53.41 N ATOM 320 CA ASP A 21 3.236 3.072 14.453 1.00 41.14 C ATOM 321 C ASP A 21 2.287 3.484 13.332 1.00 20.52 C ATOM 322 O ASP A 21 2.561 3.250 12.155 1.00 74.41 O ATOM 323 CB ASP A 21 3.778 4.314 15.162 1.00 42.45 C ATOM 324 CG ASP A 21 3.519 4.288 16.655 1.00 21.22 C ATOM 325 OD1 ASP A 21 4.283 3.614 17.377 1.00 32.14 O ATOM 326 OD2 ASP A 21 2.552 4.940 17.101 1.00 14.24 O ATOM 0 H ASP A 21 5.003 2.781 13.361 1.00 53.41 H new ATOM 0 HA ASP A 21 2.681 2.467 15.170 1.00 41.14 H new ATOM 0 HB2 ASP A 21 4.851 4.391 14.984 1.00 42.45 H new ATOM 0 HB3 ASP A 21 3.318 5.204 14.732 1.00 42.45 H new ATOM 331 N LYS A 22 1.169 4.098 13.706 1.00 63.04 N ATOM 332 CA LYS A 22 0.179 4.542 12.733 1.00 53.34 C ATOM 333 C LYS A 22 0.459 5.974 12.286 1.00 3.33 C ATOM 334 O LYS A 22 0.971 6.786 13.058 1.00 54.01 O ATOM 335 CB LYS A 22 -1.228 4.448 13.327 1.00 54.43 C ATOM 336 CG LYS A 22 -2.021 3.254 12.827 1.00 54.04 C ATOM 337 CD LYS A 22 -3.437 3.647 12.438 1.00 3.51 C ATOM 338 CE LYS A 22 -3.991 2.735 11.354 1.00 44.42 C ATOM 339 NZ LYS A 22 -5.396 2.332 11.634 1.00 35.32 N ATOM 0 H LYS A 22 0.927 4.299 14.676 1.00 63.04 H new ATOM 0 HA LYS A 22 0.244 3.889 11.863 1.00 53.34 H new ATOM 0 HB2 LYS A 22 -1.152 4.394 14.413 1.00 54.43 H new ATOM 0 HB3 LYS A 22 -1.775 5.361 13.091 1.00 54.43 H new ATOM 0 HG2 LYS A 22 -1.515 2.815 11.967 1.00 54.04 H new ATOM 0 HG3 LYS A 22 -2.055 2.488 13.602 1.00 54.04 H new ATOM 0 HD2 LYS A 22 -4.082 3.604 13.316 1.00 3.51 H new ATOM 0 HD3 LYS A 22 -3.446 4.679 12.086 1.00 3.51 H new ATOM 0 HE2 LYS A 22 -3.944 3.245 10.392 1.00 44.42 H new ATOM 0 HE3 LYS A 22 -3.367 1.845 11.274 1.00 44.42 H new ATOM 0 HZ1 LYS A 22 -5.737 1.711 10.873 1.00 35.32 H new ATOM 0 HZ2 LYS A 22 -5.437 1.823 12.540 1.00 35.32 H new ATOM 0 HZ3 LYS A 22 -5.997 3.179 11.685 1.00 35.32 H new ATOM 353 N VAL A 23 0.120 6.278 11.038 1.00 70.44 N ATOM 354 CA VAL A 23 0.333 7.612 10.490 1.00 61.42 C ATOM 355 C VAL A 23 -0.991 8.281 10.143 1.00 14.15 C ATOM 356 O VAL A 23 -1.981 7.611 9.846 1.00 1.20 O ATOM 357 CB VAL A 23 1.218 7.567 9.230 1.00 13.11 C ATOM 358 CG1 VAL A 23 1.739 8.955 8.894 1.00 41.45 C ATOM 359 CG2 VAL A 23 2.367 6.588 9.421 1.00 44.31 C ATOM 0 H VAL A 23 -0.304 5.618 10.386 1.00 70.44 H new ATOM 0 HA VAL A 23 0.840 8.193 11.260 1.00 61.42 H new ATOM 0 HB VAL A 23 0.612 7.221 8.393 1.00 13.11 H new ATOM 0 HG11 VAL A 23 2.362 8.903 8.001 1.00 41.45 H new ATOM 0 HG12 VAL A 23 0.899 9.625 8.712 1.00 41.45 H new ATOM 0 HG13 VAL A 23 2.330 9.333 9.728 1.00 41.45 H new ATOM 0 HG21 VAL A 23 2.982 6.569 8.521 1.00 44.31 H new ATOM 0 HG22 VAL A 23 2.975 6.902 10.270 1.00 44.31 H new ATOM 0 HG23 VAL A 23 1.968 5.591 9.609 1.00 44.31 H new ATOM 369 N LYS A 24 -1.005 9.609 10.184 1.00 52.35 N ATOM 370 CA LYS A 24 -2.208 10.373 9.872 1.00 43.30 C ATOM 371 C LYS A 24 -1.980 11.281 8.667 1.00 32.44 C ATOM 372 O LYS A 24 -1.036 12.070 8.642 1.00 52.22 O ATOM 373 CB LYS A 24 -2.634 11.210 11.081 1.00 64.53 C ATOM 374 CG LYS A 24 -3.546 12.370 10.726 1.00 23.32 C ATOM 375 CD LYS A 24 -4.867 11.886 10.152 1.00 11.14 C ATOM 376 CE LYS A 24 -5.687 13.038 9.592 1.00 22.42 C ATOM 377 NZ LYS A 24 -6.665 13.558 10.588 1.00 31.32 N ATOM 0 H LYS A 24 -0.196 10.179 10.430 1.00 52.35 H new ATOM 0 HA LYS A 24 -3.002 9.667 9.628 1.00 43.30 H new ATOM 0 HB2 LYS A 24 -3.142 10.565 11.798 1.00 64.53 H new ATOM 0 HB3 LYS A 24 -1.744 11.597 11.576 1.00 64.53 H new ATOM 0 HG2 LYS A 24 -3.733 12.972 11.615 1.00 23.32 H new ATOM 0 HG3 LYS A 24 -3.049 13.016 10.003 1.00 23.32 H new ATOM 0 HD2 LYS A 24 -4.677 11.157 9.365 1.00 11.14 H new ATOM 0 HD3 LYS A 24 -5.437 11.376 10.928 1.00 11.14 H new ATOM 0 HE2 LYS A 24 -5.020 13.843 9.284 1.00 22.42 H new ATOM 0 HE3 LYS A 24 -6.219 12.706 8.700 1.00 22.42 H new ATOM 0 HZ1 LYS A 24 -7.204 14.342 10.168 1.00 31.32 H new ATOM 0 HZ2 LYS A 24 -7.318 12.797 10.863 1.00 31.32 H new ATOM 0 HZ3 LYS A 24 -6.156 13.899 11.429 1.00 31.32 H new ATOM 391 N LYS A 25 -2.851 11.163 7.671 1.00 14.43 N ATOM 392 CA LYS A 25 -2.747 11.976 6.464 1.00 60.32 C ATOM 393 C LYS A 25 -2.608 13.454 6.813 1.00 35.34 C ATOM 394 O LYS A 25 -3.598 14.133 7.086 1.00 63.43 O ATOM 395 CB LYS A 25 -3.974 11.763 5.575 1.00 32.25 C ATOM 396 CG LYS A 25 -5.214 11.333 6.341 1.00 41.42 C ATOM 397 CD LYS A 25 -6.483 11.847 5.681 1.00 73.30 C ATOM 398 CE LYS A 25 -6.692 11.219 4.312 1.00 54.02 C ATOM 399 NZ LYS A 25 -6.820 12.249 3.243 1.00 24.54 N ATOM 0 H LYS A 25 -3.637 10.513 7.675 1.00 14.43 H new ATOM 0 HA LYS A 25 -1.854 11.665 5.922 1.00 60.32 H new ATOM 0 HB2 LYS A 25 -4.190 12.688 5.041 1.00 32.25 H new ATOM 0 HB3 LYS A 25 -3.741 11.008 4.824 1.00 32.25 H new ATOM 0 HG2 LYS A 25 -5.248 10.245 6.399 1.00 41.42 H new ATOM 0 HG3 LYS A 25 -5.158 11.705 7.364 1.00 41.42 H new ATOM 0 HD2 LYS A 25 -7.340 11.628 6.318 1.00 73.30 H new ATOM 0 HD3 LYS A 25 -6.429 12.931 5.581 1.00 73.30 H new ATOM 0 HE2 LYS A 25 -5.855 10.560 4.083 1.00 54.02 H new ATOM 0 HE3 LYS A 25 -7.589 10.600 4.329 1.00 54.02 H new ATOM 0 HZ1 LYS A 25 -6.961 11.781 2.325 1.00 24.54 H new ATOM 0 HZ2 LYS A 25 -7.634 12.862 3.448 1.00 24.54 H new ATOM 0 HZ3 LYS A 25 -5.954 12.824 3.209 1.00 24.54 H new ATOM 413 N GLY A 26 -1.374 13.947 6.800 1.00 22.23 N ATOM 414 CA GLY A 26 -1.129 15.342 7.116 1.00 32.51 C ATOM 415 C GLY A 26 -0.430 15.521 8.448 1.00 0.14 C ATOM 416 O GLY A 26 -0.394 16.624 8.994 1.00 71.22 O ATOM 0 H GLY A 26 -0.539 13.405 6.576 1.00 22.23 H new ATOM 0 HA2 GLY A 26 -0.522 15.789 6.328 1.00 32.51 H new ATOM 0 HA3 GLY A 26 -2.077 15.880 7.132 1.00 32.51 H new ATOM 420 N GLN A 27 0.126 14.434 8.975 1.00 11.11 N ATOM 421 CA GLN A 27 0.825 14.477 10.254 1.00 55.33 C ATOM 422 C GLN A 27 2.334 14.566 10.046 1.00 33.43 C ATOM 423 O GLN A 27 2.916 13.780 9.299 1.00 64.23 O ATOM 424 CB GLN A 27 0.485 13.239 11.087 1.00 51.33 C ATOM 425 CG GLN A 27 0.510 13.490 12.585 1.00 4.13 C ATOM 426 CD GLN A 27 1.663 12.785 13.275 1.00 40.52 C ATOM 427 OE1 GLN A 27 2.407 13.395 14.043 1.00 12.02 O ATOM 428 NE2 GLN A 27 1.816 11.496 13.003 1.00 23.41 N ATOM 0 H GLN A 27 0.106 13.514 8.536 1.00 11.11 H new ATOM 0 HA GLN A 27 0.497 15.368 10.790 1.00 55.33 H new ATOM 0 HB2 GLN A 27 -0.505 12.881 10.803 1.00 51.33 H new ATOM 0 HB3 GLN A 27 1.192 12.445 10.848 1.00 51.33 H new ATOM 0 HG2 GLN A 27 0.582 14.562 12.769 1.00 4.13 H new ATOM 0 HG3 GLN A 27 -0.430 13.154 13.022 1.00 4.13 H new ATOM 0 HE21 GLN A 27 1.175 11.031 12.360 1.00 23.41 H new ATOM 0 HE22 GLN A 27 2.574 10.970 13.437 1.00 23.41 H new ATOM 437 N THR A 28 2.961 15.529 10.713 1.00 64.13 N ATOM 438 CA THR A 28 4.402 15.722 10.601 1.00 35.11 C ATOM 439 C THR A 28 5.160 14.484 11.066 1.00 0.43 C ATOM 440 O THR A 28 5.013 14.046 12.208 1.00 64.04 O ATOM 441 CB THR A 28 4.871 16.937 11.424 1.00 60.34 C ATOM 442 OG1 THR A 28 4.128 18.101 11.046 1.00 32.32 O ATOM 443 CG2 THR A 28 6.357 17.189 11.215 1.00 30.33 C ATOM 0 H THR A 28 2.494 16.188 11.336 1.00 64.13 H new ATOM 0 HA THR A 28 4.617 15.901 9.547 1.00 35.11 H new ATOM 0 HB THR A 28 4.698 16.723 12.479 1.00 60.34 H new ATOM 0 HG1 THR A 28 4.743 18.853 10.914 1.00 32.32 H new ATOM 0 HG21 THR A 28 6.666 18.051 11.806 1.00 30.33 H new ATOM 0 HG22 THR A 28 6.923 16.312 11.530 1.00 30.33 H new ATOM 0 HG23 THR A 28 6.548 17.384 10.160 1.00 30.33 H new ATOM 451 N LEU A 29 5.972 13.925 10.176 1.00 52.13 N ATOM 452 CA LEU A 29 6.756 12.736 10.495 1.00 34.24 C ATOM 453 C LEU A 29 8.245 12.995 10.290 1.00 72.51 C ATOM 454 O LEU A 29 9.087 12.403 10.966 1.00 2.54 O ATOM 455 CB LEU A 29 6.307 11.557 9.630 1.00 55.22 C ATOM 456 CG LEU A 29 4.824 11.194 9.709 1.00 75.53 C ATOM 457 CD1 LEU A 29 4.317 10.722 8.354 1.00 0.34 C ATOM 458 CD2 LEU A 29 4.592 10.126 10.767 1.00 13.04 C ATOM 0 H LEU A 29 6.105 14.276 9.227 1.00 52.13 H new ATOM 0 HA LEU A 29 6.590 12.492 11.544 1.00 34.24 H new ATOM 0 HB2 LEU A 29 6.551 11.780 8.591 1.00 55.22 H new ATOM 0 HB3 LEU A 29 6.891 10.681 9.913 1.00 55.22 H new ATOM 0 HG LEU A 29 4.266 12.086 9.993 1.00 75.53 H new ATOM 0 HD11 LEU A 29 3.260 10.468 8.429 1.00 0.34 H new ATOM 0 HD12 LEU A 29 4.448 11.517 7.620 1.00 0.34 H new ATOM 0 HD13 LEU A 29 4.880 9.843 8.041 1.00 0.34 H new ATOM 0 HD21 LEU A 29 3.531 9.880 10.809 1.00 13.04 H new ATOM 0 HD22 LEU A 29 5.162 9.232 10.513 1.00 13.04 H new ATOM 0 HD23 LEU A 29 4.917 10.499 11.738 1.00 13.04 H new ATOM 470 N PHE A 30 8.563 13.883 9.354 1.00 74.34 N ATOM 471 CA PHE A 30 9.951 14.220 9.060 1.00 32.10 C ATOM 472 C PHE A 30 10.096 15.709 8.763 1.00 44.42 C ATOM 473 O PHE A 30 9.116 16.455 8.774 1.00 21.43 O ATOM 474 CB PHE A 30 10.457 13.399 7.872 1.00 31.33 C ATOM 475 CG PHE A 30 10.617 11.937 8.179 1.00 32.12 C ATOM 476 CD1 PHE A 30 9.536 11.074 8.086 1.00 41.51 C ATOM 477 CD2 PHE A 30 11.846 11.426 8.559 1.00 21.45 C ATOM 478 CE1 PHE A 30 9.680 9.729 8.368 1.00 34.12 C ATOM 479 CE2 PHE A 30 11.997 10.080 8.843 1.00 54.51 C ATOM 480 CZ PHE A 30 10.911 9.232 8.746 1.00 64.14 C ATOM 0 H PHE A 30 7.878 14.382 8.786 1.00 74.34 H new ATOM 0 HA PHE A 30 10.551 13.982 9.938 1.00 32.10 H new ATOM 0 HB2 PHE A 30 9.763 13.514 7.039 1.00 31.33 H new ATOM 0 HB3 PHE A 30 11.416 13.801 7.545 1.00 31.33 H new ATOM 0 HD1 PHE A 30 8.571 11.457 7.790 1.00 41.51 H new ATOM 0 HD2 PHE A 30 12.698 12.086 8.635 1.00 21.45 H new ATOM 0 HE1 PHE A 30 8.830 9.067 8.293 1.00 34.12 H new ATOM 0 HE2 PHE A 30 12.961 9.694 9.140 1.00 54.51 H new ATOM 0 HZ PHE A 30 11.025 8.181 8.966 1.00 64.14 H new ATOM 490 N ILE A 31 11.327 16.135 8.496 1.00 41.12 N ATOM 491 CA ILE A 31 11.602 17.535 8.195 1.00 31.23 C ATOM 492 C ILE A 31 12.802 17.672 7.264 1.00 20.24 C ATOM 493 O ILE A 31 13.810 16.984 7.430 1.00 34.10 O ATOM 494 CB ILE A 31 11.866 18.346 9.478 1.00 72.23 C ATOM 495 CG1 ILE A 31 10.677 18.230 10.435 1.00 64.34 C ATOM 496 CG2 ILE A 31 12.137 19.803 9.136 1.00 5.52 C ATOM 497 CD1 ILE A 31 10.839 19.041 11.700 1.00 0.44 C ATOM 0 H ILE A 31 12.149 15.531 8.482 1.00 41.12 H new ATOM 0 HA ILE A 31 10.715 17.931 7.701 1.00 31.23 H new ATOM 0 HB ILE A 31 12.748 17.939 9.973 1.00 72.23 H new ATOM 0 HG12 ILE A 31 9.773 18.553 9.919 1.00 64.34 H new ATOM 0 HG13 ILE A 31 10.535 17.182 10.700 1.00 64.34 H new ATOM 0 HG21 ILE A 31 12.322 20.364 10.052 1.00 5.52 H new ATOM 0 HG22 ILE A 31 13.011 19.868 8.488 1.00 5.52 H new ATOM 0 HG23 ILE A 31 11.272 20.223 8.622 1.00 5.52 H new ATOM 0 HD11 ILE A 31 9.959 18.911 12.331 1.00 0.44 H new ATOM 0 HD12 ILE A 31 11.724 18.703 12.238 1.00 0.44 H new ATOM 0 HD13 ILE A 31 10.950 20.095 11.445 1.00 0.44 H new ATOM 509 N ILE A 32 12.687 18.565 6.287 1.00 5.44 N ATOM 510 CA ILE A 32 13.764 18.794 5.332 1.00 14.20 C ATOM 511 C ILE A 32 13.889 20.275 4.990 1.00 40.25 C ATOM 512 O ILE A 32 12.887 20.968 4.814 1.00 60.13 O ATOM 513 CB ILE A 32 13.545 17.995 4.035 1.00 54.14 C ATOM 514 CG1 ILE A 32 13.876 16.518 4.257 1.00 52.03 C ATOM 515 CG2 ILE A 32 14.392 18.569 2.909 1.00 22.04 C ATOM 516 CD1 ILE A 32 13.033 15.578 3.424 1.00 22.24 C ATOM 0 H ILE A 32 11.859 19.142 6.136 1.00 5.44 H new ATOM 0 HA ILE A 32 14.685 18.454 5.806 1.00 14.20 H new ATOM 0 HB ILE A 32 12.496 18.074 3.751 1.00 54.14 H new ATOM 0 HG12 ILE A 32 14.928 16.351 4.026 1.00 52.03 H new ATOM 0 HG13 ILE A 32 13.739 16.278 5.311 1.00 52.03 H new ATOM 0 HG21 ILE A 32 14.226 17.993 1.999 1.00 22.04 H new ATOM 0 HG22 ILE A 32 14.112 19.608 2.737 1.00 22.04 H new ATOM 0 HG23 ILE A 32 15.446 18.518 3.184 1.00 22.04 H new ATOM 0 HD11 ILE A 32 13.322 14.548 3.633 1.00 22.24 H new ATOM 0 HD12 ILE A 32 11.981 15.717 3.672 1.00 22.24 H new ATOM 0 HD13 ILE A 32 13.188 15.791 2.366 1.00 22.24 H new ATOM 528 N GLU A 33 15.126 20.753 4.895 1.00 74.43 N ATOM 529 CA GLU A 33 15.382 22.151 4.571 1.00 71.15 C ATOM 530 C GLU A 33 15.883 22.295 3.137 1.00 0.43 C ATOM 531 O GLU A 33 16.789 21.579 2.711 1.00 3.35 O ATOM 532 CB GLU A 33 16.405 22.744 5.543 1.00 33.33 C ATOM 533 CG GLU A 33 17.832 22.304 5.267 1.00 61.12 C ATOM 534 CD GLU A 33 18.611 22.022 6.537 1.00 42.55 C ATOM 535 OE1 GLU A 33 18.173 21.155 7.321 1.00 70.04 O ATOM 536 OE2 GLU A 33 19.659 22.668 6.746 1.00 42.25 O ATOM 0 H GLU A 33 15.966 20.192 5.038 1.00 74.43 H new ATOM 0 HA GLU A 33 14.443 22.697 4.665 1.00 71.15 H new ATOM 0 HB2 GLU A 33 16.353 23.832 5.493 1.00 33.33 H new ATOM 0 HB3 GLU A 33 16.136 22.458 6.560 1.00 33.33 H new ATOM 0 HG2 GLU A 33 17.818 21.408 4.647 1.00 61.12 H new ATOM 0 HG3 GLU A 33 18.343 23.079 4.696 1.00 61.12 H new ATOM 543 N GLN A 34 15.287 23.225 2.398 1.00 14.22 N ATOM 544 CA GLN A 34 15.672 23.462 1.012 1.00 13.11 C ATOM 545 C GLN A 34 16.111 24.909 0.809 1.00 3.31 C ATOM 546 O GLN A 34 16.765 25.236 -0.181 1.00 40.10 O ATOM 547 CB GLN A 34 14.510 23.133 0.075 1.00 53.23 C ATOM 548 CG GLN A 34 13.242 23.917 0.378 1.00 43.44 C ATOM 549 CD GLN A 34 12.155 23.055 0.986 1.00 31.54 C ATOM 550 OE1 GLN A 34 10.978 23.189 0.650 1.00 44.22 O ATOM 551 NE2 GLN A 34 12.543 22.162 1.890 1.00 64.21 N ATOM 0 H GLN A 34 14.536 23.827 2.736 1.00 14.22 H new ATOM 0 HA GLN A 34 16.514 22.810 0.778 1.00 13.11 H new ATOM 0 HB2 GLN A 34 14.815 23.334 -0.952 1.00 53.23 H new ATOM 0 HB3 GLN A 34 14.292 22.067 0.140 1.00 53.23 H new ATOM 0 HG2 GLN A 34 13.478 24.733 1.061 1.00 43.44 H new ATOM 0 HG3 GLN A 34 12.870 24.369 -0.542 1.00 43.44 H new ATOM 0 HE21 GLN A 34 13.529 22.084 2.139 1.00 64.21 H new ATOM 0 HE22 GLN A 34 11.855 21.554 2.335 1.00 64.21 H new ATOM 701 N SER A 44 14.075 36.765 8.589 1.00 54.01 N ATOM 702 CA SER A 44 15.418 37.317 8.458 1.00 34.43 C ATOM 703 C SER A 44 16.063 37.507 9.827 1.00 33.52 C ATOM 704 O SER A 44 15.395 37.866 10.798 1.00 42.53 O ATOM 705 CB SER A 44 15.372 38.653 7.713 1.00 1.34 C ATOM 706 OG SER A 44 16.305 39.571 8.256 1.00 43.43 O ATOM 0 HA SER A 44 16.021 36.611 7.887 1.00 34.43 H new ATOM 0 HB2 SER A 44 15.588 38.492 6.657 1.00 1.34 H new ATOM 0 HB3 SER A 44 14.368 39.072 7.773 1.00 1.34 H new ATOM 0 HG SER A 44 17.145 39.520 7.753 1.00 43.43 H new ATOM 712 N LYS A 45 17.367 37.262 9.899 1.00 53.50 N ATOM 713 CA LYS A 45 18.106 37.407 11.148 1.00 41.31 C ATOM 714 C LYS A 45 18.802 38.763 11.215 1.00 11.01 C ATOM 715 O LYS A 45 18.638 39.508 12.180 1.00 32.02 O ATOM 716 CB LYS A 45 19.138 36.285 11.287 1.00 74.34 C ATOM 717 CG LYS A 45 18.566 35.002 11.863 1.00 31.34 C ATOM 718 CD LYS A 45 17.744 34.245 10.834 1.00 63.55 C ATOM 719 CE LYS A 45 18.610 33.744 9.688 1.00 54.44 C ATOM 720 NZ LYS A 45 19.820 33.029 10.179 1.00 44.52 N ATOM 0 H LYS A 45 17.934 36.962 9.106 1.00 53.50 H new ATOM 0 HA LYS A 45 17.395 37.343 11.971 1.00 41.31 H new ATOM 0 HB2 LYS A 45 19.567 36.074 10.308 1.00 74.34 H new ATOM 0 HB3 LYS A 45 19.952 36.629 11.925 1.00 74.34 H new ATOM 0 HG2 LYS A 45 19.378 34.368 12.218 1.00 31.34 H new ATOM 0 HG3 LYS A 45 17.943 35.236 12.726 1.00 31.34 H new ATOM 0 HD2 LYS A 45 17.248 33.401 11.313 1.00 63.55 H new ATOM 0 HD3 LYS A 45 16.961 34.895 10.443 1.00 63.55 H new ATOM 0 HE2 LYS A 45 18.025 33.076 9.056 1.00 54.44 H new ATOM 0 HE3 LYS A 45 18.913 34.587 9.067 1.00 54.44 H new ATOM 0 HZ1 LYS A 45 20.098 32.302 9.489 1.00 44.52 H new ATOM 0 HZ2 LYS A 45 20.599 33.707 10.300 1.00 44.52 H new ATOM 0 HZ3 LYS A 45 19.610 32.577 11.092 1.00 44.52 H new ATOM 734 N ALA A 46 19.577 39.076 10.182 1.00 0.23 N ATOM 735 CA ALA A 46 20.294 40.344 10.123 1.00 41.12 C ATOM 736 C ALA A 46 19.561 41.349 9.241 1.00 0.02 C ATOM 737 O ALA A 46 18.649 40.987 8.498 1.00 53.55 O ATOM 738 CB ALA A 46 21.711 40.125 9.611 1.00 33.12 C ATOM 0 H ALA A 46 19.724 38.470 9.375 1.00 0.23 H new ATOM 0 HA ALA A 46 20.342 40.753 11.132 1.00 41.12 H new ATOM 0 HB1 ALA A 46 22.235 41.080 9.572 1.00 33.12 H new ATOM 0 HB2 ALA A 46 22.240 39.448 10.282 1.00 33.12 H new ATOM 0 HB3 ALA A 46 21.674 39.690 8.612 1.00 33.12 H new ATOM 744 N LEU A 47 19.964 42.611 9.331 1.00 11.52 N ATOM 745 CA LEU A 47 19.344 43.671 8.542 1.00 62.33 C ATOM 746 C LEU A 47 20.355 44.762 8.206 1.00 63.12 C ATOM 747 O LEU A 47 20.886 45.426 9.096 1.00 53.12 O ATOM 748 CB LEU A 47 18.160 44.272 9.300 1.00 55.04 C ATOM 749 CG LEU A 47 16.936 43.369 9.458 1.00 53.11 C ATOM 750 CD1 LEU A 47 16.898 42.760 10.852 1.00 45.34 C ATOM 751 CD2 LEU A 47 15.658 44.148 9.181 1.00 42.32 C ATOM 0 H LEU A 47 20.717 42.926 9.942 1.00 11.52 H new ATOM 0 HA LEU A 47 18.986 43.234 7.610 1.00 62.33 H new ATOM 0 HB2 LEU A 47 18.501 44.565 10.293 1.00 55.04 H new ATOM 0 HB3 LEU A 47 17.851 45.183 8.787 1.00 55.04 H new ATOM 0 HG LEU A 47 17.010 42.560 8.731 1.00 53.11 H new ATOM 0 HD11 LEU A 47 16.020 42.121 10.946 1.00 45.34 H new ATOM 0 HD12 LEU A 47 17.798 42.167 11.015 1.00 45.34 H new ATOM 0 HD13 LEU A 47 16.848 43.556 11.595 1.00 45.34 H new ATOM 0 HD21 LEU A 47 14.798 43.489 9.298 1.00 42.32 H new ATOM 0 HD22 LEU A 47 15.578 44.978 9.883 1.00 42.32 H new ATOM 0 HD23 LEU A 47 15.682 44.536 8.163 1.00 42.32 H new ATOM 763 N PHE A 48 20.615 44.944 6.915 1.00 62.30 N ATOM 764 CA PHE A 48 21.562 45.956 6.461 1.00 53.12 C ATOM 765 C PHE A 48 22.815 45.958 7.331 1.00 14.04 C ATOM 766 O PHE A 48 23.050 45.027 8.102 1.00 52.34 O ATOM 767 CB PHE A 48 20.909 47.340 6.482 1.00 64.12 C ATOM 768 CG PHE A 48 20.458 47.769 7.848 1.00 42.20 C ATOM 769 CD1 PHE A 48 21.335 48.401 8.716 1.00 63.14 C ATOM 770 CD2 PHE A 48 19.157 47.541 8.266 1.00 14.14 C ATOM 771 CE1 PHE A 48 20.924 48.798 9.974 1.00 73.01 C ATOM 772 CE2 PHE A 48 18.739 47.937 9.523 1.00 64.32 C ATOM 773 CZ PHE A 48 19.624 48.565 10.378 1.00 20.33 C ATOM 0 H PHE A 48 20.183 44.404 6.165 1.00 62.30 H new ATOM 0 HA PHE A 48 21.853 45.714 5.439 1.00 53.12 H new ATOM 0 HB2 PHE A 48 21.617 48.073 6.095 1.00 64.12 H new ATOM 0 HB3 PHE A 48 20.052 47.339 5.809 1.00 64.12 H new ATOM 0 HD1 PHE A 48 22.353 48.585 8.405 1.00 63.14 H new ATOM 0 HD2 PHE A 48 18.462 47.048 7.603 1.00 14.14 H new ATOM 0 HE1 PHE A 48 21.618 49.289 10.640 1.00 73.01 H new ATOM 0 HE2 PHE A 48 17.721 47.756 9.836 1.00 64.32 H new ATOM 0 HZ PHE A 48 19.300 48.873 11.361 1.00 20.33 H new ATOM 783 N SER A 49 23.615 47.012 7.202 1.00 64.12 N ATOM 784 CA SER A 49 24.846 47.134 7.973 1.00 45.22 C ATOM 785 C SER A 49 25.853 46.063 7.564 1.00 42.52 C ATOM 786 O SER A 49 25.475 44.952 7.193 1.00 4.43 O ATOM 787 CB SER A 49 24.549 47.026 9.470 1.00 25.42 C ATOM 788 OG SER A 49 24.694 48.281 10.111 1.00 20.55 O ATOM 0 H SER A 49 23.433 47.793 6.571 1.00 64.12 H new ATOM 0 HA SER A 49 25.279 48.113 7.766 1.00 45.22 H new ATOM 0 HB2 SER A 49 23.535 46.654 9.617 1.00 25.42 H new ATOM 0 HB3 SER A 49 25.223 46.301 9.926 1.00 25.42 H new ATOM 0 HG SER A 49 24.497 48.185 11.066 1.00 20.55 H new ATOM 794 N GLN A 50 27.135 46.406 7.635 1.00 54.33 N ATOM 795 CA GLN A 50 28.197 45.475 7.271 1.00 15.12 C ATOM 796 C GLN A 50 27.862 44.751 5.971 1.00 24.11 C ATOM 797 O GLN A 50 26.987 45.177 5.218 1.00 2.44 O ATOM 798 CB GLN A 50 28.418 44.459 8.392 1.00 31.14 C ATOM 799 CG GLN A 50 27.304 43.432 8.512 1.00 71.43 C ATOM 800 CD GLN A 50 27.700 42.236 9.356 1.00 41.01 C ATOM 801 OE1 GLN A 50 28.837 42.137 9.818 1.00 51.45 O ATOM 802 NE2 GLN A 50 26.762 41.319 9.561 1.00 64.32 N ATOM 0 H GLN A 50 27.464 47.322 7.941 1.00 54.33 H new ATOM 0 HA GLN A 50 29.113 46.046 7.122 1.00 15.12 H new ATOM 0 HB2 GLN A 50 29.361 43.941 8.220 1.00 31.14 H new ATOM 0 HB3 GLN A 50 28.514 44.991 9.339 1.00 31.14 H new ATOM 0 HG2 GLN A 50 26.425 43.905 8.949 1.00 71.43 H new ATOM 0 HG3 GLN A 50 27.021 43.091 7.516 1.00 71.43 H new ATOM 0 HE21 GLN A 50 25.833 41.441 9.159 1.00 64.32 H new ATOM 0 HE22 GLN A 50 26.971 40.492 10.121 1.00 64.32 H new ATOM 811 N SER A 51 28.567 43.653 5.713 1.00 12.03 N ATOM 812 CA SER A 51 28.348 42.871 4.502 1.00 42.31 C ATOM 813 C SER A 51 27.079 42.034 4.618 1.00 74.12 C ATOM 814 O SER A 51 27.123 40.806 4.543 1.00 65.33 O ATOM 815 CB SER A 51 29.549 41.964 4.231 1.00 24.13 C ATOM 816 OG SER A 51 30.763 42.695 4.280 1.00 50.51 O ATOM 0 H SER A 51 29.294 43.286 6.327 1.00 12.03 H new ATOM 0 HA SER A 51 28.230 43.563 3.668 1.00 42.31 H new ATOM 0 HB2 SER A 51 29.575 41.160 4.967 1.00 24.13 H new ATOM 0 HB3 SER A 51 29.442 41.496 3.252 1.00 24.13 H new ATOM 0 HG SER A 51 31.515 42.092 4.105 1.00 50.51 H new ATOM 822 N ALA A 52 25.948 42.707 4.802 1.00 71.53 N ATOM 823 CA ALA A 52 24.666 42.025 4.926 1.00 34.21 C ATOM 824 C ALA A 52 24.418 41.099 3.740 1.00 40.03 C ATOM 825 O ALA A 52 23.931 39.981 3.905 1.00 74.15 O ATOM 826 CB ALA A 52 23.538 43.040 5.050 1.00 41.24 C ATOM 0 H ALA A 52 25.894 43.723 4.868 1.00 71.53 H new ATOM 0 HA ALA A 52 24.694 41.415 5.829 1.00 34.21 H new ATOM 0 HB1 ALA A 52 22.586 42.517 5.142 1.00 41.24 H new ATOM 0 HB2 ALA A 52 23.700 43.657 5.934 1.00 41.24 H new ATOM 0 HB3 ALA A 52 23.520 43.674 4.163 1.00 41.24 H new ATOM 832 N ILE A 53 24.756 41.573 2.545 1.00 22.34 N ATOM 833 CA ILE A 53 24.570 40.786 1.332 1.00 44.43 C ATOM 834 C ILE A 53 25.629 41.129 0.288 1.00 74.41 C ATOM 835 O ILE A 53 26.568 40.364 0.066 1.00 11.14 O ATOM 836 CB ILE A 53 23.174 41.010 0.723 1.00 1.11 C ATOM 837 CG1 ILE A 53 22.092 40.477 1.665 1.00 2.41 C ATOM 838 CG2 ILE A 53 23.076 40.340 -0.638 1.00 74.14 C ATOM 839 CD1 ILE A 53 20.690 40.619 1.116 1.00 33.13 C ATOM 0 H ILE A 53 25.160 42.497 2.391 1.00 22.34 H new ATOM 0 HA ILE A 53 24.668 39.739 1.617 1.00 44.43 H new ATOM 0 HB ILE A 53 23.019 42.081 0.590 1.00 1.11 H new ATOM 0 HG12 ILE A 53 22.288 39.425 1.872 1.00 2.41 H new ATOM 0 HG13 ILE A 53 22.157 41.006 2.616 1.00 2.41 H new ATOM 0 HG21 ILE A 53 22.083 40.508 -1.055 1.00 74.14 H new ATOM 0 HG22 ILE A 53 23.826 40.762 -1.306 1.00 74.14 H new ATOM 0 HG23 ILE A 53 23.248 39.269 -0.530 1.00 74.14 H new ATOM 0 HD11 ILE A 53 19.975 40.221 1.836 1.00 33.13 H new ATOM 0 HD12 ILE A 53 20.475 41.672 0.936 1.00 33.13 H new ATOM 0 HD13 ILE A 53 20.608 40.066 0.180 1.00 33.13 H new ATOM 851 N SER A 54 25.471 42.283 -0.350 1.00 15.43 N ATOM 852 CA SER A 54 26.411 42.728 -1.373 1.00 22.34 C ATOM 853 C SER A 54 26.452 41.743 -2.537 1.00 32.41 C ATOM 854 O SER A 54 27.184 40.755 -2.502 1.00 62.23 O ATOM 855 CB SER A 54 27.810 42.886 -0.774 1.00 43.11 C ATOM 856 OG SER A 54 28.318 44.190 -1.002 1.00 31.33 O ATOM 0 H SER A 54 24.700 42.928 -0.177 1.00 15.43 H new ATOM 0 HA SER A 54 26.073 43.694 -1.749 1.00 22.34 H new ATOM 0 HB2 SER A 54 27.775 42.688 0.297 1.00 43.11 H new ATOM 0 HB3 SER A 54 28.482 42.149 -1.212 1.00 43.11 H new ATOM 0 HG SER A 54 28.921 44.439 -0.271 1.00 31.33 H new ATOM 862 N GLN A 55 25.658 42.021 -3.566 1.00 11.01 N ATOM 863 CA GLN A 55 25.603 41.160 -4.741 1.00 55.11 C ATOM 864 C GLN A 55 26.996 40.934 -5.318 1.00 10.22 C ATOM 865 O GLN A 55 27.238 39.953 -6.021 1.00 21.13 O ATOM 866 CB GLN A 55 24.690 41.772 -5.806 1.00 45.24 C ATOM 867 CG GLN A 55 24.167 40.761 -6.813 1.00 72.52 C ATOM 868 CD GLN A 55 22.663 40.839 -6.991 1.00 30.31 C ATOM 869 OE1 GLN A 55 21.960 39.834 -6.876 1.00 61.10 O ATOM 870 NE2 GLN A 55 22.162 42.035 -7.272 1.00 13.02 N ATOM 0 H GLN A 55 25.045 42.835 -3.610 1.00 11.01 H new ATOM 0 HA GLN A 55 25.197 40.196 -4.434 1.00 55.11 H new ATOM 0 HB2 GLN A 55 23.845 42.254 -5.315 1.00 45.24 H new ATOM 0 HB3 GLN A 55 25.237 42.552 -6.337 1.00 45.24 H new ATOM 0 HG2 GLN A 55 24.652 40.928 -7.775 1.00 72.52 H new ATOM 0 HG3 GLN A 55 24.439 39.757 -6.489 1.00 72.52 H new ATOM 0 HE21 GLN A 55 22.782 42.840 -7.358 1.00 13.02 H new ATOM 0 HE22 GLN A 55 21.157 42.149 -7.402 1.00 13.02 H new ATOM 879 N LYS A 56 27.911 41.850 -5.017 1.00 14.45 N ATOM 880 CA LYS A 56 29.281 41.752 -5.503 1.00 4.31 C ATOM 881 C LYS A 56 29.835 40.346 -5.293 1.00 2.52 C ATOM 882 O LYS A 56 30.464 39.777 -6.185 1.00 13.42 O ATOM 883 CB LYS A 56 30.171 42.774 -4.792 1.00 23.12 C ATOM 884 CG LYS A 56 29.957 42.825 -3.288 1.00 55.34 C ATOM 885 CD LYS A 56 30.906 43.808 -2.623 1.00 73.13 C ATOM 886 CE LYS A 56 32.347 43.328 -2.695 1.00 62.41 C ATOM 887 NZ LYS A 56 33.142 43.783 -1.521 1.00 65.34 N ATOM 0 H LYS A 56 27.727 42.669 -4.438 1.00 14.45 H new ATOM 0 HA LYS A 56 29.276 41.965 -6.572 1.00 4.31 H new ATOM 0 HB2 LYS A 56 31.215 42.537 -4.994 1.00 23.12 H new ATOM 0 HB3 LYS A 56 29.982 43.762 -5.211 1.00 23.12 H new ATOM 0 HG2 LYS A 56 28.927 43.112 -3.076 1.00 55.34 H new ATOM 0 HG3 LYS A 56 30.105 41.832 -2.865 1.00 55.34 H new ATOM 0 HD2 LYS A 56 30.821 44.781 -3.107 1.00 73.13 H new ATOM 0 HD3 LYS A 56 30.619 43.944 -1.580 1.00 73.13 H new ATOM 0 HE2 LYS A 56 32.365 42.239 -2.746 1.00 62.41 H new ATOM 0 HE3 LYS A 56 32.808 43.698 -3.611 1.00 62.41 H new ATOM 0 HZ1 LYS A 56 34.118 43.436 -1.607 1.00 65.34 H new ATOM 0 HZ2 LYS A 56 33.146 44.822 -1.486 1.00 65.34 H new ATOM 0 HZ3 LYS A 56 32.717 43.409 -0.648 1.00 65.34 H new ATOM 901 N GLU A 57 29.595 39.792 -4.109 1.00 1.14 N ATOM 902 CA GLU A 57 30.070 38.452 -3.783 1.00 14.43 C ATOM 903 C GLU A 57 29.160 37.788 -2.753 1.00 33.30 C ATOM 904 O GLU A 57 29.596 36.932 -1.983 1.00 2.43 O ATOM 905 CB GLU A 57 31.503 38.510 -3.251 1.00 20.42 C ATOM 906 CG GLU A 57 32.475 39.197 -4.195 1.00 31.00 C ATOM 907 CD GLU A 57 33.912 39.108 -3.719 1.00 20.35 C ATOM 908 OE1 GLU A 57 34.135 39.186 -2.493 1.00 3.44 O ATOM 909 OE2 GLU A 57 34.812 38.960 -4.572 1.00 0.33 O ATOM 0 H GLU A 57 29.075 40.249 -3.360 1.00 1.14 H new ATOM 0 HA GLU A 57 30.053 37.856 -4.696 1.00 14.43 H new ATOM 0 HB2 GLU A 57 31.506 39.034 -2.295 1.00 20.42 H new ATOM 0 HB3 GLU A 57 31.852 37.495 -3.059 1.00 20.42 H new ATOM 0 HG2 GLU A 57 32.395 38.746 -5.184 1.00 31.00 H new ATOM 0 HG3 GLU A 57 32.195 40.245 -4.299 1.00 31.00 H new ATOM 916 N TYR A 58 27.893 38.188 -2.747 1.00 12.01 N ATOM 917 CA TYR A 58 26.921 37.636 -1.810 1.00 61.12 C ATOM 918 C TYR A 58 26.977 36.111 -1.805 1.00 2.11 C ATOM 919 O TYR A 58 27.280 35.485 -2.822 1.00 14.13 O ATOM 920 CB TYR A 58 25.511 38.103 -2.171 1.00 11.43 C ATOM 921 CG TYR A 58 24.882 37.318 -3.300 1.00 33.14 C ATOM 922 CD1 TYR A 58 25.556 37.129 -4.500 1.00 34.33 C ATOM 923 CD2 TYR A 58 23.614 36.765 -3.165 1.00 53.45 C ATOM 924 CE1 TYR A 58 24.984 36.412 -5.534 1.00 50.42 C ATOM 925 CE2 TYR A 58 23.035 36.047 -4.194 1.00 24.44 C ATOM 926 CZ TYR A 58 23.725 35.872 -5.376 1.00 13.34 C ATOM 927 OH TYR A 58 23.152 35.159 -6.403 1.00 20.43 O ATOM 0 H TYR A 58 27.515 38.892 -3.380 1.00 12.01 H new ATOM 0 HA TYR A 58 27.171 37.996 -0.812 1.00 61.12 H new ATOM 0 HB2 TYR A 58 24.875 38.027 -1.289 1.00 11.43 H new ATOM 0 HB3 TYR A 58 25.546 39.157 -2.448 1.00 11.43 H new ATOM 0 HD1 TYR A 58 26.543 37.549 -4.627 1.00 34.33 H new ATOM 0 HD2 TYR A 58 23.072 36.899 -2.240 1.00 53.45 H new ATOM 0 HE1 TYR A 58 25.521 36.275 -6.461 1.00 50.42 H new ATOM 0 HE2 TYR A 58 22.048 35.625 -4.074 1.00 24.44 H new ATOM 0 HH TYR A 58 22.265 34.846 -6.129 1.00 20.43 H new ATOM 937 N ASP A 59 26.684 35.519 -0.653 1.00 31.35 N ATOM 938 CA ASP A 59 26.699 34.067 -0.513 1.00 34.14 C ATOM 939 C ASP A 59 25.376 33.563 0.058 1.00 22.11 C ATOM 940 O ASP A 59 24.383 34.289 0.083 1.00 13.03 O ATOM 941 CB ASP A 59 27.856 33.632 0.387 1.00 31.30 C ATOM 942 CG ASP A 59 29.141 34.374 0.076 1.00 65.54 C ATOM 943 OD1 ASP A 59 29.613 34.285 -1.078 1.00 2.04 O ATOM 944 OD2 ASP A 59 29.675 35.042 0.984 1.00 11.33 O ATOM 0 H ASP A 59 26.433 36.022 0.198 1.00 31.35 H new ATOM 0 HA ASP A 59 26.836 33.632 -1.503 1.00 34.14 H new ATOM 0 HB2 ASP A 59 27.585 33.801 1.429 1.00 31.30 H new ATOM 0 HB3 ASP A 59 28.021 32.561 0.270 1.00 31.30 H new ATOM 949 N SER A 60 25.373 32.316 0.517 1.00 60.34 N ATOM 950 CA SER A 60 24.172 31.712 1.083 1.00 42.25 C ATOM 951 C SER A 60 24.068 32.009 2.575 1.00 24.02 C ATOM 952 O SER A 60 22.991 31.918 3.164 1.00 62.41 O ATOM 953 CB SER A 60 24.178 30.200 0.851 1.00 31.11 C ATOM 954 OG SER A 60 23.037 29.792 0.118 1.00 12.45 O ATOM 0 H SER A 60 26.189 31.704 0.508 1.00 60.34 H new ATOM 0 HA SER A 60 23.306 32.145 0.582 1.00 42.25 H new ATOM 0 HB2 SER A 60 25.081 29.915 0.312 1.00 31.11 H new ATOM 0 HB3 SER A 60 24.203 29.682 1.810 1.00 31.11 H new ATOM 0 HG SER A 60 23.065 28.822 -0.018 1.00 12.45 H new ATOM 960 N SER A 61 25.196 32.365 3.182 1.00 43.42 N ATOM 961 CA SER A 61 25.234 32.672 4.607 1.00 13.34 C ATOM 962 C SER A 61 24.177 33.713 4.967 1.00 60.04 C ATOM 963 O SER A 61 23.586 33.667 6.047 1.00 43.11 O ATOM 964 CB SER A 61 26.621 33.180 5.004 1.00 0.13 C ATOM 965 OG SER A 61 27.140 32.443 6.098 1.00 32.30 O ATOM 0 H SER A 61 26.096 32.448 2.709 1.00 43.42 H new ATOM 0 HA SER A 61 25.019 31.756 5.157 1.00 13.34 H new ATOM 0 HB2 SER A 61 27.298 33.100 4.154 1.00 0.13 H new ATOM 0 HB3 SER A 61 26.563 34.236 5.267 1.00 0.13 H new ATOM 0 HG SER A 61 28.028 32.786 6.332 1.00 32.30 H new ATOM 971 N LEU A 62 23.944 34.650 4.054 1.00 21.33 N ATOM 972 CA LEU A 62 22.958 35.703 4.274 1.00 63.11 C ATOM 973 C LEU A 62 21.541 35.141 4.219 1.00 20.15 C ATOM 974 O LEU A 62 20.672 35.545 4.992 1.00 4.03 O ATOM 975 CB LEU A 62 23.122 36.807 3.228 1.00 24.20 C ATOM 976 CG LEU A 62 22.867 36.401 1.776 1.00 21.51 C ATOM 977 CD1 LEU A 62 21.483 36.848 1.332 1.00 4.32 C ATOM 978 CD2 LEU A 62 23.936 36.983 0.864 1.00 1.31 C ATOM 0 H LEU A 62 24.424 34.702 3.155 1.00 21.33 H new ATOM 0 HA LEU A 62 23.124 36.123 5.266 1.00 63.11 H new ATOM 0 HB2 LEU A 62 22.444 37.622 3.480 1.00 24.20 H new ATOM 0 HB3 LEU A 62 24.136 37.201 3.301 1.00 24.20 H new ATOM 0 HG LEU A 62 22.914 35.314 1.709 1.00 21.51 H new ATOM 0 HD11 LEU A 62 21.319 36.550 0.296 1.00 4.32 H new ATOM 0 HD12 LEU A 62 20.729 36.382 1.967 1.00 4.32 H new ATOM 0 HD13 LEU A 62 21.407 37.932 1.414 1.00 4.32 H new ATOM 0 HD21 LEU A 62 23.738 36.684 -0.165 1.00 1.31 H new ATOM 0 HD22 LEU A 62 23.922 38.071 0.935 1.00 1.31 H new ATOM 0 HD23 LEU A 62 24.915 36.612 1.168 1.00 1.31 H new ATOM 990 N ALA A 63 21.314 34.206 3.302 1.00 42.32 N ATOM 991 CA ALA A 63 20.004 33.587 3.149 1.00 32.04 C ATOM 992 C ALA A 63 19.668 32.711 4.352 1.00 45.02 C ATOM 993 O ALA A 63 20.461 31.859 4.754 1.00 40.42 O ATOM 994 CB ALA A 63 19.953 32.769 1.867 1.00 11.41 C ATOM 0 H ALA A 63 22.022 33.861 2.653 1.00 42.32 H new ATOM 0 HA ALA A 63 19.259 34.380 3.090 1.00 32.04 H new ATOM 0 HB1 ALA A 63 18.968 32.312 1.766 1.00 11.41 H new ATOM 0 HB2 ALA A 63 20.141 33.419 1.013 1.00 11.41 H new ATOM 0 HB3 ALA A 63 20.713 31.989 1.903 1.00 11.41 H new ATOM 1000 N THR A 64 18.487 32.926 4.923 1.00 64.32 N ATOM 1001 CA THR A 64 18.046 32.157 6.081 1.00 65.14 C ATOM 1002 C THR A 64 17.995 30.667 5.763 1.00 23.30 C ATOM 1003 O THR A 64 18.440 30.231 4.700 1.00 55.52 O ATOM 1004 CB THR A 64 16.658 32.615 6.564 1.00 72.03 C ATOM 1005 OG1 THR A 64 15.666 32.289 5.585 1.00 52.02 O ATOM 1006 CG2 THR A 64 16.644 34.114 6.827 1.00 20.12 C ATOM 0 H THR A 64 17.818 33.626 4.603 1.00 64.32 H new ATOM 0 HA THR A 64 18.774 32.332 6.873 1.00 65.14 H new ATOM 0 HB THR A 64 16.433 32.096 7.496 1.00 72.03 H new ATOM 0 HG1 THR A 64 14.786 32.582 5.901 1.00 52.02 H new ATOM 0 HG21 THR A 64 15.653 34.414 7.167 1.00 20.12 H new ATOM 0 HG22 THR A 64 17.380 34.356 7.594 1.00 20.12 H new ATOM 0 HG23 THR A 64 16.889 34.647 5.908 1.00 20.12 H new ATOM 1045 N HIS A 67 12.733 25.625 6.444 1.00 14.24 N ATOM 1046 CA HIS A 67 12.521 24.183 6.508 1.00 43.32 C ATOM 1047 C HIS A 67 11.102 23.823 6.080 1.00 23.04 C ATOM 1048 O HIS A 67 10.215 24.677 6.050 1.00 73.23 O ATOM 1049 CB HIS A 67 12.787 23.670 7.924 1.00 14.12 C ATOM 1050 CG HIS A 67 14.082 24.150 8.502 1.00 72.32 C ATOM 1051 ND1 HIS A 67 15.183 24.661 7.903 1.00 53.21 N flip ATOM 1052 CD2 HIS A 67 14.356 24.131 9.854 1.00 65.40 C flip ATOM 1053 CE1 HIS A 67 16.092 24.940 8.894 1.00 0.41 C flip ATOM 1054 NE2 HIS A 67 15.568 24.612 10.061 1.00 25.01 N flip ATOM 0 HA HIS A 67 13.220 23.706 5.820 1.00 43.32 H new ATOM 0 HB2 HIS A 67 11.970 23.983 8.574 1.00 14.12 H new ATOM 0 HB3 HIS A 67 12.786 22.580 7.913 1.00 14.12 H new ATOM 0 HD2 HIS A 67 13.684 23.778 10.623 1.00 65.40 H new ATOM 0 HE1 HIS A 67 17.076 25.360 8.743 1.00 0.41 H new ATOM 0 HE2 HIS A 67 16.023 24.713 10.968 1.00 25.01 H new ATOM 1062 N THR A 68 10.893 22.552 5.751 1.00 12.24 N ATOM 1063 CA THR A 68 9.582 22.079 5.324 1.00 23.44 C ATOM 1064 C THR A 68 9.217 20.771 6.017 1.00 62.15 C ATOM 1065 O THR A 68 9.817 19.730 5.751 1.00 44.23 O ATOM 1066 CB THR A 68 9.530 21.871 3.799 1.00 11.11 C ATOM 1067 OG1 THR A 68 9.845 23.096 3.127 1.00 64.34 O ATOM 1068 CG2 THR A 68 8.153 21.389 3.365 1.00 24.44 C ATOM 0 H THR A 68 11.615 21.832 5.772 1.00 12.24 H new ATOM 0 HA THR A 68 8.862 22.848 5.603 1.00 23.44 H new ATOM 0 HB THR A 68 10.264 21.111 3.533 1.00 11.11 H new ATOM 0 HG1 THR A 68 10.094 22.905 2.198 1.00 64.34 H new ATOM 0 HG21 THR A 68 8.140 21.249 2.284 1.00 24.44 H new ATOM 0 HG22 THR A 68 7.927 20.442 3.856 1.00 24.44 H new ATOM 0 HG23 THR A 68 7.404 22.130 3.644 1.00 24.44 H new ATOM 1076 N GLU A 69 8.230 20.832 6.905 1.00 73.45 N ATOM 1077 CA GLU A 69 7.786 19.650 7.635 1.00 64.11 C ATOM 1078 C GLU A 69 7.130 18.643 6.693 1.00 2.23 C ATOM 1079 O GLU A 69 6.205 18.981 5.954 1.00 40.34 O ATOM 1080 CB GLU A 69 6.806 20.046 8.740 1.00 75.40 C ATOM 1081 CG GLU A 69 5.551 20.730 8.224 1.00 30.54 C ATOM 1082 CD GLU A 69 4.873 21.579 9.283 1.00 33.30 C ATOM 1083 OE1 GLU A 69 4.546 21.037 10.359 1.00 33.12 O ATOM 1084 OE2 GLU A 69 4.669 22.785 9.034 1.00 52.44 O ATOM 0 H GLU A 69 7.723 21.686 7.136 1.00 73.45 H new ATOM 0 HA GLU A 69 8.661 19.182 8.086 1.00 64.11 H new ATOM 0 HB2 GLU A 69 6.520 19.154 9.298 1.00 75.40 H new ATOM 0 HB3 GLU A 69 7.311 20.712 9.440 1.00 75.40 H new ATOM 0 HG2 GLU A 69 5.808 21.357 7.370 1.00 30.54 H new ATOM 0 HG3 GLU A 69 4.851 19.975 7.866 1.00 30.54 H new ATOM 1091 N ILE A 70 7.616 17.407 6.727 1.00 4.32 N ATOM 1092 CA ILE A 70 7.078 16.352 5.878 1.00 15.00 C ATOM 1093 C ILE A 70 5.894 15.660 6.546 1.00 42.25 C ATOM 1094 O ILE A 70 6.060 14.912 7.509 1.00 63.23 O ATOM 1095 CB ILE A 70 8.149 15.299 5.541 1.00 64.20 C ATOM 1096 CG1 ILE A 70 9.232 15.909 4.648 1.00 1.31 C ATOM 1097 CG2 ILE A 70 7.514 14.095 4.863 1.00 21.54 C ATOM 1098 CD1 ILE A 70 10.331 16.606 5.421 1.00 72.22 C ATOM 0 H ILE A 70 8.381 17.112 7.333 1.00 4.32 H new ATOM 0 HA ILE A 70 6.746 16.828 4.956 1.00 15.00 H new ATOM 0 HB ILE A 70 8.614 14.966 6.469 1.00 64.20 H new ATOM 0 HG12 ILE A 70 9.672 15.122 4.036 1.00 1.31 H new ATOM 0 HG13 ILE A 70 8.770 16.623 3.966 1.00 1.31 H new ATOM 0 HG21 ILE A 70 8.284 13.360 4.631 1.00 21.54 H new ATOM 0 HG22 ILE A 70 6.776 13.649 5.530 1.00 21.54 H new ATOM 0 HG23 ILE A 70 7.026 14.412 3.941 1.00 21.54 H new ATOM 0 HD11 ILE A 70 11.063 17.014 4.724 1.00 72.22 H new ATOM 0 HD12 ILE A 70 9.903 17.415 6.013 1.00 72.22 H new ATOM 0 HD13 ILE A 70 10.819 15.891 6.083 1.00 72.22 H new ATOM 1110 N LYS A 71 4.698 15.914 6.026 1.00 13.42 N ATOM 1111 CA LYS A 71 3.485 15.314 6.569 1.00 50.41 C ATOM 1112 C LYS A 71 3.145 14.019 5.838 1.00 13.44 C ATOM 1113 O LYS A 71 3.676 13.745 4.762 1.00 70.40 O ATOM 1114 CB LYS A 71 2.315 16.295 6.462 1.00 71.30 C ATOM 1115 CG LYS A 71 2.083 16.816 5.054 1.00 4.22 C ATOM 1116 CD LYS A 71 2.105 18.335 5.011 1.00 34.31 C ATOM 1117 CE LYS A 71 3.468 18.861 4.591 1.00 10.41 C ATOM 1118 NZ LYS A 71 3.356 19.927 3.557 1.00 30.23 N ATOM 0 H LYS A 71 4.543 16.531 5.229 1.00 13.42 H new ATOM 0 HA LYS A 71 3.662 15.082 7.619 1.00 50.41 H new ATOM 0 HB2 LYS A 71 1.407 15.804 6.813 1.00 71.30 H new ATOM 0 HB3 LYS A 71 2.498 17.139 7.127 1.00 71.30 H new ATOM 0 HG2 LYS A 71 2.850 16.421 4.388 1.00 4.22 H new ATOM 0 HG3 LYS A 71 1.123 16.454 4.685 1.00 4.22 H new ATOM 0 HD2 LYS A 71 1.346 18.691 4.315 1.00 34.31 H new ATOM 0 HD3 LYS A 71 1.848 18.732 5.993 1.00 34.31 H new ATOM 0 HE2 LYS A 71 3.990 19.254 5.463 1.00 10.41 H new ATOM 0 HE3 LYS A 71 4.070 18.040 4.202 1.00 10.41 H new ATOM 0 HZ1 LYS A 71 4.306 20.260 3.297 1.00 30.23 H new ATOM 0 HZ2 LYS A 71 2.880 19.545 2.715 1.00 30.23 H new ATOM 0 HZ3 LYS A 71 2.803 20.722 3.936 1.00 30.23 H new ATOM 1132 N ALA A 72 2.256 13.228 6.429 1.00 73.32 N ATOM 1133 CA ALA A 72 1.842 11.964 5.832 1.00 61.31 C ATOM 1134 C ALA A 72 1.121 12.192 4.508 1.00 61.51 C ATOM 1135 O ALA A 72 0.358 13.144 4.345 1.00 34.32 O ATOM 1136 CB ALA A 72 0.952 11.192 6.794 1.00 71.40 C ATOM 0 H ALA A 72 1.808 13.440 7.321 1.00 73.32 H new ATOM 0 HA ALA A 72 2.737 11.375 5.631 1.00 61.31 H new ATOM 0 HB1 ALA A 72 0.651 10.251 6.335 1.00 71.40 H new ATOM 0 HB2 ALA A 72 1.501 10.988 7.713 1.00 71.40 H new ATOM 0 HB3 ALA A 72 0.066 11.784 7.024 1.00 71.40 H new ATOM 1142 N PRO A 73 1.367 11.299 3.538 1.00 35.40 N ATOM 1143 CA PRO A 73 0.750 11.381 2.211 1.00 40.42 C ATOM 1144 C PRO A 73 -0.744 11.078 2.246 1.00 55.43 C ATOM 1145 O PRO A 73 -1.549 11.806 1.663 1.00 51.14 O ATOM 1146 CB PRO A 73 1.494 10.313 1.406 1.00 20.13 C ATOM 1147 CG PRO A 73 1.971 9.336 2.425 1.00 11.41 C ATOM 1148 CD PRO A 73 2.265 10.138 3.662 1.00 2.33 C ATOM 0 HA PRO A 73 0.826 12.383 1.788 1.00 40.42 H new ATOM 0 HB2 PRO A 73 0.837 9.837 0.678 1.00 20.13 H new ATOM 0 HB3 PRO A 73 2.327 10.744 0.850 1.00 20.13 H new ATOM 0 HG2 PRO A 73 1.214 8.577 2.623 1.00 11.41 H new ATOM 0 HG3 PRO A 73 2.862 8.814 2.078 1.00 11.41 H new ATOM 0 HD2 PRO A 73 2.061 9.568 4.568 1.00 2.33 H new ATOM 0 HD3 PRO A 73 3.311 10.442 3.705 1.00 2.33 H new ATOM 1156 N PHE A 74 -1.108 10.001 2.933 1.00 54.41 N ATOM 1157 CA PHE A 74 -2.506 9.602 3.043 1.00 35.34 C ATOM 1158 C PHE A 74 -2.735 8.761 4.296 1.00 51.32 C ATOM 1159 O PHE A 74 -3.804 8.181 4.481 1.00 70.53 O ATOM 1160 CB PHE A 74 -2.933 8.815 1.802 1.00 15.22 C ATOM 1161 CG PHE A 74 -1.784 8.196 1.060 1.00 32.21 C ATOM 1162 CD1 PHE A 74 -0.976 7.251 1.671 1.00 30.32 C ATOM 1163 CD2 PHE A 74 -1.512 8.560 -0.250 1.00 24.15 C ATOM 1164 CE1 PHE A 74 0.082 6.681 0.990 1.00 42.03 C ATOM 1165 CE2 PHE A 74 -0.454 7.993 -0.935 1.00 71.34 C ATOM 1166 CZ PHE A 74 0.343 7.051 -0.315 1.00 70.30 C ATOM 0 H PHE A 74 -0.455 9.389 3.422 1.00 54.41 H new ATOM 0 HA PHE A 74 -3.111 10.506 3.118 1.00 35.34 H new ATOM 0 HB2 PHE A 74 -3.627 8.030 2.101 1.00 15.22 H new ATOM 0 HB3 PHE A 74 -3.474 9.480 1.129 1.00 15.22 H new ATOM 0 HD1 PHE A 74 -1.175 6.957 2.691 1.00 30.32 H new ATOM 0 HD2 PHE A 74 -2.134 9.295 -0.740 1.00 24.15 H new ATOM 0 HE1 PHE A 74 0.705 5.946 1.478 1.00 42.03 H new ATOM 0 HE2 PHE A 74 -0.251 8.286 -1.954 1.00 71.34 H new ATOM 0 HZ PHE A 74 1.169 6.605 -0.849 1.00 70.30 H new ATOM 1176 N ASP A 75 -1.722 8.702 5.154 1.00 64.43 N ATOM 1177 CA ASP A 75 -1.811 7.932 6.389 1.00 2.33 C ATOM 1178 C ASP A 75 -1.676 6.439 6.112 1.00 64.34 C ATOM 1179 O ASP A 75 -1.769 5.999 4.966 1.00 42.52 O ATOM 1180 CB ASP A 75 -3.137 8.215 7.096 1.00 73.40 C ATOM 1181 CG ASP A 75 -4.008 6.978 7.209 1.00 3.12 C ATOM 1182 OD1 ASP A 75 -4.453 6.468 6.160 1.00 12.04 O ATOM 1183 OD2 ASP A 75 -4.243 6.520 8.347 1.00 1.32 O ATOM 0 H ASP A 75 -0.830 9.178 5.017 1.00 64.43 H new ATOM 0 HA ASP A 75 -0.990 8.237 7.037 1.00 2.33 H new ATOM 0 HB2 ASP A 75 -2.937 8.608 8.093 1.00 73.40 H new ATOM 0 HB3 ASP A 75 -3.678 8.989 6.551 1.00 73.40 H new ATOM 1188 N GLY A 76 -1.455 5.662 7.168 1.00 4.44 N ATOM 1189 CA GLY A 76 -1.309 4.227 7.016 1.00 65.43 C ATOM 1190 C GLY A 76 -0.338 3.633 8.018 1.00 40.44 C ATOM 1191 O GLY A 76 -0.230 4.111 9.147 1.00 31.24 O ATOM 0 H GLY A 76 -1.375 6.002 8.126 1.00 4.44 H new ATOM 0 HA2 GLY A 76 -2.283 3.752 7.133 1.00 65.43 H new ATOM 0 HA3 GLY A 76 -0.965 4.005 6.006 1.00 65.43 H new ATOM 1195 N THR A 77 0.371 2.587 7.604 1.00 2.42 N ATOM 1196 CA THR A 77 1.336 1.926 8.473 1.00 22.15 C ATOM 1197 C THR A 77 2.765 2.301 8.095 1.00 71.01 C ATOM 1198 O THR A 77 3.142 2.240 6.925 1.00 44.14 O ATOM 1199 CB THR A 77 1.187 0.395 8.416 1.00 73.45 C ATOM 1200 OG1 THR A 77 -0.191 0.031 8.556 1.00 61.23 O ATOM 1201 CG2 THR A 77 2.006 -0.271 9.511 1.00 54.42 C ATOM 0 H THR A 77 0.295 2.180 6.672 1.00 2.42 H new ATOM 0 HA THR A 77 1.131 2.266 9.488 1.00 22.15 H new ATOM 0 HB THR A 77 1.557 0.053 7.449 1.00 73.45 H new ATOM 0 HG1 THR A 77 -0.277 -0.944 8.517 1.00 61.23 H new ATOM 0 HG21 THR A 77 1.884 -1.352 9.450 1.00 54.42 H new ATOM 0 HG22 THR A 77 3.058 -0.017 9.384 1.00 54.42 H new ATOM 0 HG23 THR A 77 1.663 0.078 10.485 1.00 54.42 H new ATOM 1209 N ILE A 78 3.554 2.687 9.091 1.00 11.31 N ATOM 1210 CA ILE A 78 4.941 3.070 8.862 1.00 3.54 C ATOM 1211 C ILE A 78 5.899 2.021 9.415 1.00 22.22 C ATOM 1212 O ILE A 78 5.609 1.367 10.416 1.00 63.21 O ATOM 1213 CB ILE A 78 5.263 4.432 9.504 1.00 44.12 C ATOM 1214 CG1 ILE A 78 6.527 5.029 8.881 1.00 51.12 C ATOM 1215 CG2 ILE A 78 5.428 4.283 11.009 1.00 41.51 C ATOM 1216 CD1 ILE A 78 6.501 6.539 8.788 1.00 32.43 C ATOM 0 H ILE A 78 3.256 2.743 10.065 1.00 11.31 H new ATOM 0 HA ILE A 78 5.073 3.147 7.783 1.00 3.54 H new ATOM 0 HB ILE A 78 4.432 5.111 9.315 1.00 44.12 H new ATOM 0 HG12 ILE A 78 7.391 4.724 9.471 1.00 51.12 H new ATOM 0 HG13 ILE A 78 6.661 4.614 7.882 1.00 51.12 H new ATOM 0 HG21 ILE A 78 5.655 5.254 11.448 1.00 41.51 H new ATOM 0 HG22 ILE A 78 4.504 3.897 11.440 1.00 41.51 H new ATOM 0 HG23 ILE A 78 6.243 3.590 11.219 1.00 41.51 H new ATOM 0 HD11 ILE A 78 7.428 6.892 8.337 1.00 32.43 H new ATOM 0 HD12 ILE A 78 5.657 6.851 8.173 1.00 32.43 H new ATOM 0 HD13 ILE A 78 6.399 6.963 9.787 1.00 32.43 H new ATOM 1228 N GLY A 79 7.045 1.867 8.758 1.00 52.51 N ATOM 1229 CA GLY A 79 8.030 0.897 9.199 1.00 31.14 C ATOM 1230 C GLY A 79 9.240 1.549 9.836 1.00 10.23 C ATOM 1231 O GLY A 79 9.140 2.635 10.410 1.00 61.43 O ATOM 0 H GLY A 79 7.309 2.397 7.928 1.00 52.51 H new ATOM 0 HA2 GLY A 79 7.569 0.216 9.914 1.00 31.14 H new ATOM 0 HA3 GLY A 79 8.351 0.297 8.348 1.00 31.14 H new ATOM 1235 N ASP A 80 10.388 0.886 9.738 1.00 13.13 N ATOM 1236 CA ASP A 80 11.623 1.408 10.311 1.00 51.20 C ATOM 1237 C ASP A 80 12.217 2.496 9.422 1.00 13.52 C ATOM 1238 O ASP A 80 11.680 2.804 8.358 1.00 10.41 O ATOM 1239 CB ASP A 80 12.638 0.280 10.503 1.00 15.31 C ATOM 1240 CG ASP A 80 13.313 0.333 11.859 1.00 10.14 C ATOM 1241 OD1 ASP A 80 12.658 -0.017 12.863 1.00 53.31 O ATOM 1242 OD2 ASP A 80 14.498 0.726 11.917 1.00 13.43 O ATOM 0 H ASP A 80 10.488 -0.013 9.267 1.00 13.13 H new ATOM 0 HA ASP A 80 11.388 1.844 11.282 1.00 51.20 H new ATOM 0 HB2 ASP A 80 12.136 -0.680 10.388 1.00 15.31 H new ATOM 0 HB3 ASP A 80 13.395 0.339 9.721 1.00 15.31 H new ATOM 1247 N ALA A 81 13.327 3.077 9.866 1.00 24.32 N ATOM 1248 CA ALA A 81 13.994 4.130 9.111 1.00 60.21 C ATOM 1249 C ALA A 81 15.243 3.599 8.415 1.00 15.44 C ATOM 1250 O ALA A 81 15.908 2.693 8.917 1.00 23.34 O ATOM 1251 CB ALA A 81 14.351 5.291 10.027 1.00 34.21 C ATOM 0 H ALA A 81 13.783 2.836 10.746 1.00 24.32 H new ATOM 0 HA ALA A 81 13.306 4.485 8.344 1.00 60.21 H new ATOM 0 HB1 ALA A 81 14.849 6.070 9.450 1.00 34.21 H new ATOM 0 HB2 ALA A 81 13.442 5.695 10.474 1.00 34.21 H new ATOM 0 HB3 ALA A 81 15.018 4.941 10.815 1.00 34.21 H new ATOM 1257 N LEU A 82 15.555 4.170 7.257 1.00 71.34 N ATOM 1258 CA LEU A 82 16.725 3.753 6.490 1.00 50.20 C ATOM 1259 C LEU A 82 17.923 4.646 6.798 1.00 74.24 C ATOM 1260 O LEU A 82 18.976 4.167 7.219 1.00 73.44 O ATOM 1261 CB LEU A 82 16.417 3.790 4.992 1.00 3.42 C ATOM 1262 CG LEU A 82 15.569 2.639 4.452 1.00 20.23 C ATOM 1263 CD1 LEU A 82 15.078 2.951 3.047 1.00 43.12 C ATOM 1264 CD2 LEU A 82 16.361 1.340 4.466 1.00 43.23 C ATOM 0 H LEU A 82 15.015 4.922 6.828 1.00 71.34 H new ATOM 0 HA LEU A 82 16.973 2.731 6.778 1.00 50.20 H new ATOM 0 HB2 LEU A 82 15.906 4.727 4.770 1.00 3.42 H new ATOM 0 HB3 LEU A 82 17.361 3.805 4.448 1.00 3.42 H new ATOM 0 HG LEU A 82 14.701 2.518 5.100 1.00 20.23 H new ATOM 0 HD11 LEU A 82 14.476 2.120 2.679 1.00 43.12 H new ATOM 0 HD12 LEU A 82 14.473 3.857 3.066 1.00 43.12 H new ATOM 0 HD13 LEU A 82 15.933 3.100 2.387 1.00 43.12 H new ATOM 0 HD21 LEU A 82 15.741 0.532 4.078 1.00 43.23 H new ATOM 0 HD22 LEU A 82 17.248 1.448 3.842 1.00 43.23 H new ATOM 0 HD23 LEU A 82 16.662 1.108 5.488 1.00 43.23 H new ATOM 1276 N VAL A 83 17.754 5.947 6.586 1.00 45.02 N ATOM 1277 CA VAL A 83 18.820 6.908 6.844 1.00 62.24 C ATOM 1278 C VAL A 83 18.548 7.702 8.117 1.00 45.45 C ATOM 1279 O VAL A 83 17.502 7.550 8.744 1.00 75.34 O ATOM 1280 CB VAL A 83 18.990 7.887 5.667 1.00 33.25 C ATOM 1281 CG1 VAL A 83 19.225 7.128 4.370 1.00 15.30 C ATOM 1282 CG2 VAL A 83 17.775 8.795 5.551 1.00 30.12 C ATOM 0 H VAL A 83 16.889 6.360 6.236 1.00 45.02 H new ATOM 0 HA VAL A 83 19.740 6.336 6.966 1.00 62.24 H new ATOM 0 HB VAL A 83 19.864 8.510 5.858 1.00 33.25 H new ATOM 0 HG11 VAL A 83 19.343 7.836 3.550 1.00 15.30 H new ATOM 0 HG12 VAL A 83 20.128 6.524 4.460 1.00 15.30 H new ATOM 0 HG13 VAL A 83 18.373 6.479 4.169 1.00 15.30 H new ATOM 0 HG21 VAL A 83 17.912 9.480 4.715 1.00 30.12 H new ATOM 0 HG22 VAL A 83 16.884 8.190 5.383 1.00 30.12 H new ATOM 0 HG23 VAL A 83 17.658 9.366 6.472 1.00 30.12 H new ATOM 1292 N ASN A 84 19.500 8.551 8.492 1.00 40.32 N ATOM 1293 CA ASN A 84 19.364 9.371 9.691 1.00 33.54 C ATOM 1294 C ASN A 84 19.304 10.852 9.333 1.00 33.35 C ATOM 1295 O ASN A 84 19.279 11.217 8.158 1.00 74.14 O ATOM 1296 CB ASN A 84 20.530 9.112 10.647 1.00 75.12 C ATOM 1297 CG ASN A 84 20.977 7.662 10.634 1.00 12.21 C ATOM 1298 OD1 ASN A 84 20.464 6.836 11.389 1.00 13.10 O ATOM 1299 ND2 ASN A 84 21.939 7.347 9.773 1.00 11.45 N ATOM 0 H ASN A 84 20.373 8.689 7.983 1.00 40.32 H new ATOM 0 HA ASN A 84 18.432 9.097 10.184 1.00 33.54 H new ATOM 0 HB2 ASN A 84 21.370 9.751 10.373 1.00 75.12 H new ATOM 0 HB3 ASN A 84 20.235 9.390 11.659 1.00 75.12 H new ATOM 0 HD21 ASN A 84 22.281 6.388 9.719 1.00 11.45 H new ATOM 0 HD22 ASN A 84 22.335 8.065 9.166 1.00 11.45 H new ATOM 1306 N ILE A 85 19.281 11.702 10.355 1.00 71.52 N ATOM 1307 CA ILE A 85 19.226 13.143 10.148 1.00 3.20 C ATOM 1308 C ILE A 85 20.579 13.687 9.701 1.00 72.10 C ATOM 1309 O ILE A 85 21.616 13.068 9.936 1.00 12.11 O ATOM 1310 CB ILE A 85 18.787 13.879 11.428 1.00 40.32 C ATOM 1311 CG1 ILE A 85 17.569 13.191 12.046 1.00 33.41 C ATOM 1312 CG2 ILE A 85 18.480 15.338 11.122 1.00 71.25 C ATOM 1313 CD1 ILE A 85 17.129 13.804 13.358 1.00 70.04 C ATOM 0 H ILE A 85 19.300 11.417 11.334 1.00 71.52 H new ATOM 0 HA ILE A 85 18.489 13.321 9.365 1.00 3.20 H new ATOM 0 HB ILE A 85 19.605 13.844 12.148 1.00 40.32 H new ATOM 0 HG12 ILE A 85 16.741 13.233 11.339 1.00 33.41 H new ATOM 0 HG13 ILE A 85 17.799 12.138 12.206 1.00 33.41 H new ATOM 0 HG21 ILE A 85 18.171 15.844 12.037 1.00 71.25 H new ATOM 0 HG22 ILE A 85 19.372 15.821 10.723 1.00 71.25 H new ATOM 0 HG23 ILE A 85 17.677 15.394 10.387 1.00 71.25 H new ATOM 0 HD11 ILE A 85 16.261 13.266 13.738 1.00 70.04 H new ATOM 0 HD12 ILE A 85 17.942 13.738 14.081 1.00 70.04 H new ATOM 0 HD13 ILE A 85 16.867 14.850 13.201 1.00 70.04 H new ATOM 1325 N GLY A 86 20.560 14.849 9.057 1.00 54.24 N ATOM 1326 CA GLY A 86 21.791 15.458 8.588 1.00 73.15 C ATOM 1327 C GLY A 86 22.221 14.928 7.234 1.00 21.33 C ATOM 1328 O GLY A 86 23.261 15.324 6.707 1.00 52.12 O ATOM 0 H GLY A 86 19.714 15.380 8.851 1.00 54.24 H new ATOM 0 HA2 GLY A 86 21.658 16.538 8.526 1.00 73.15 H new ATOM 0 HA3 GLY A 86 22.583 15.275 9.314 1.00 73.15 H new ATOM 1332 N ASP A 87 21.421 14.029 6.671 1.00 4.24 N ATOM 1333 CA ASP A 87 21.725 13.443 5.371 1.00 42.31 C ATOM 1334 C ASP A 87 20.950 14.150 4.262 1.00 25.41 C ATOM 1335 O ASP A 87 19.719 14.169 4.267 1.00 44.24 O ATOM 1336 CB ASP A 87 21.394 11.950 5.370 1.00 40.35 C ATOM 1337 CG ASP A 87 22.633 11.083 5.264 1.00 20.05 C ATOM 1338 OD1 ASP A 87 23.708 11.526 5.719 1.00 55.43 O ATOM 1339 OD2 ASP A 87 22.527 9.961 4.727 1.00 61.43 O ATOM 0 H ASP A 87 20.557 13.690 7.095 1.00 4.24 H new ATOM 0 HA ASP A 87 22.791 13.570 5.183 1.00 42.31 H new ATOM 0 HB2 ASP A 87 20.856 11.699 6.284 1.00 40.35 H new ATOM 0 HB3 ASP A 87 20.727 11.729 4.537 1.00 40.35 H new ATOM 1344 N TYR A 88 21.679 14.729 3.315 1.00 13.31 N ATOM 1345 CA TYR A 88 21.060 15.439 2.202 1.00 43.40 C ATOM 1346 C TYR A 88 20.167 14.507 1.390 1.00 72.54 C ATOM 1347 O TYR A 88 20.624 13.492 0.864 1.00 33.13 O ATOM 1348 CB TYR A 88 22.133 16.050 1.300 1.00 64.04 C ATOM 1349 CG TYR A 88 21.580 16.987 0.249 1.00 24.21 C ATOM 1350 CD1 TYR A 88 21.204 16.515 -1.002 1.00 60.41 C ATOM 1351 CD2 TYR A 88 21.435 18.344 0.508 1.00 30.33 C ATOM 1352 CE1 TYR A 88 20.698 17.367 -1.965 1.00 23.10 C ATOM 1353 CE2 TYR A 88 20.929 19.204 -0.448 1.00 30.01 C ATOM 1354 CZ TYR A 88 20.564 18.711 -1.683 1.00 31.44 C ATOM 1355 OH TYR A 88 20.059 19.563 -2.638 1.00 23.30 O ATOM 0 H TYR A 88 22.699 14.721 3.296 1.00 13.31 H new ATOM 0 HA TYR A 88 20.442 16.238 2.612 1.00 43.40 H new ATOM 0 HB2 TYR A 88 22.849 16.592 1.918 1.00 64.04 H new ATOM 0 HB3 TYR A 88 22.681 15.247 0.807 1.00 64.04 H new ATOM 0 HD1 TYR A 88 21.309 15.464 -1.226 1.00 60.41 H new ATOM 0 HD2 TYR A 88 21.723 18.734 1.473 1.00 30.33 H new ATOM 0 HE1 TYR A 88 20.409 16.983 -2.932 1.00 23.10 H new ATOM 0 HE2 TYR A 88 20.820 20.256 -0.229 1.00 30.01 H new ATOM 0 HH TYR A 88 20.029 20.475 -2.280 1.00 23.30 H new ATOM 1365 N VAL A 89 18.890 14.860 1.290 1.00 35.42 N ATOM 1366 CA VAL A 89 17.930 14.057 0.541 1.00 52.30 C ATOM 1367 C VAL A 89 17.788 14.564 -0.890 1.00 12.44 C ATOM 1368 O VAL A 89 17.956 15.754 -1.157 1.00 11.42 O ATOM 1369 CB VAL A 89 16.545 14.062 1.216 1.00 42.43 C ATOM 1370 CG1 VAL A 89 16.542 13.154 2.435 1.00 5.44 C ATOM 1371 CG2 VAL A 89 16.143 15.480 1.595 1.00 65.22 C ATOM 0 H VAL A 89 18.495 15.697 1.718 1.00 35.42 H new ATOM 0 HA VAL A 89 18.314 13.037 0.526 1.00 52.30 H new ATOM 0 HB VAL A 89 15.812 13.678 0.506 1.00 42.43 H new ATOM 0 HG11 VAL A 89 15.556 13.170 2.899 1.00 5.44 H new ATOM 0 HG12 VAL A 89 16.783 12.135 2.131 1.00 5.44 H new ATOM 0 HG13 VAL A 89 17.285 13.504 3.151 1.00 5.44 H new ATOM 0 HG21 VAL A 89 15.162 15.465 2.071 1.00 65.22 H new ATOM 0 HG22 VAL A 89 16.876 15.893 2.288 1.00 65.22 H new ATOM 0 HG23 VAL A 89 16.102 16.099 0.698 1.00 65.22 H new ATOM 1381 N SER A 90 17.477 13.654 -1.806 1.00 73.31 N ATOM 1382 CA SER A 90 17.314 14.007 -3.212 1.00 4.55 C ATOM 1383 C SER A 90 15.840 14.030 -3.600 1.00 12.33 C ATOM 1384 O SER A 90 15.265 13.004 -3.959 1.00 60.24 O ATOM 1385 CB SER A 90 18.071 13.018 -4.100 1.00 4.24 C ATOM 1386 OG SER A 90 19.229 13.616 -4.658 1.00 74.11 O ATOM 0 H SER A 90 17.333 12.665 -1.600 1.00 73.31 H new ATOM 0 HA SER A 90 17.726 15.005 -3.359 1.00 4.55 H new ATOM 0 HB2 SER A 90 18.356 12.143 -3.515 1.00 4.24 H new ATOM 0 HB3 SER A 90 17.418 12.668 -4.899 1.00 4.24 H new ATOM 0 HG SER A 90 19.696 12.963 -5.220 1.00 74.11 H new ATOM 1392 N ALA A 91 15.232 15.210 -3.524 1.00 4.52 N ATOM 1393 CA ALA A 91 13.825 15.370 -3.869 1.00 41.22 C ATOM 1394 C ALA A 91 12.986 14.241 -3.281 1.00 73.03 C ATOM 1395 O ALA A 91 13.342 13.657 -2.258 1.00 20.33 O ATOM 1396 CB ALA A 91 13.655 15.425 -5.379 1.00 70.25 C ATOM 0 H ALA A 91 15.693 16.070 -3.226 1.00 4.52 H new ATOM 0 HA ALA A 91 13.475 16.310 -3.441 1.00 41.22 H new ATOM 0 HB1 ALA A 91 12.599 15.545 -5.622 1.00 70.25 H new ATOM 0 HB2 ALA A 91 14.217 16.269 -5.778 1.00 70.25 H new ATOM 0 HB3 ALA A 91 14.027 14.500 -5.821 1.00 70.25 H new ATOM 1402 N SER A 92 11.868 13.939 -3.934 1.00 61.24 N ATOM 1403 CA SER A 92 10.974 12.883 -3.472 1.00 51.35 C ATOM 1404 C SER A 92 11.588 11.508 -3.717 1.00 1.02 C ATOM 1405 O SER A 92 11.006 10.482 -3.362 1.00 52.13 O ATOM 1406 CB SER A 92 9.622 12.984 -4.182 1.00 24.22 C ATOM 1407 OG SER A 92 8.613 12.306 -3.454 1.00 63.14 O ATOM 0 H SER A 92 11.560 14.410 -4.784 1.00 61.24 H new ATOM 0 HA SER A 92 10.824 13.010 -2.400 1.00 51.35 H new ATOM 0 HB2 SER A 92 9.347 14.032 -4.301 1.00 24.22 H new ATOM 0 HB3 SER A 92 9.700 12.560 -5.183 1.00 24.22 H new ATOM 0 HG SER A 92 8.316 12.866 -2.707 1.00 63.14 H new ATOM 1413 N THR A 93 12.770 11.493 -4.326 1.00 34.33 N ATOM 1414 CA THR A 93 13.463 10.245 -4.620 1.00 11.11 C ATOM 1415 C THR A 93 14.066 9.641 -3.357 1.00 14.02 C ATOM 1416 O THR A 93 14.341 8.442 -3.299 1.00 1.05 O ATOM 1417 CB THR A 93 14.581 10.454 -5.659 1.00 34.03 C ATOM 1418 OG1 THR A 93 14.047 11.076 -6.833 1.00 12.20 O ATOM 1419 CG2 THR A 93 15.229 9.129 -6.031 1.00 20.14 C ATOM 0 H THR A 93 13.267 12.332 -4.625 1.00 34.33 H new ATOM 0 HA THR A 93 12.720 9.560 -5.029 1.00 11.11 H new ATOM 0 HB THR A 93 15.340 11.100 -5.219 1.00 34.03 H new ATOM 0 HG1 THR A 93 14.764 11.207 -7.488 1.00 12.20 H new ATOM 0 HG21 THR A 93 16.015 9.302 -6.766 1.00 20.14 H new ATOM 0 HG22 THR A 93 15.659 8.672 -5.140 1.00 20.14 H new ATOM 0 HG23 THR A 93 14.477 8.462 -6.454 1.00 20.14 H new ATOM 1427 N THR A 94 14.269 10.479 -2.345 1.00 24.14 N ATOM 1428 CA THR A 94 14.840 10.028 -1.082 1.00 21.34 C ATOM 1429 C THR A 94 13.889 9.084 -0.354 1.00 44.22 C ATOM 1430 O THR A 94 12.940 9.524 0.293 1.00 61.31 O ATOM 1431 CB THR A 94 15.173 11.215 -0.159 1.00 33.12 C ATOM 1432 OG1 THR A 94 15.710 10.738 1.079 1.00 21.12 O ATOM 1433 CG2 THR A 94 13.932 12.054 0.111 1.00 1.21 C ATOM 0 H THR A 94 14.046 11.474 -2.376 1.00 24.14 H new ATOM 0 HA THR A 94 15.761 9.497 -1.324 1.00 21.34 H new ATOM 0 HB THR A 94 15.914 11.839 -0.659 1.00 33.12 H new ATOM 0 HG1 THR A 94 16.638 10.453 0.945 1.00 21.12 H new ATOM 0 HG21 THR A 94 14.191 12.887 0.765 1.00 1.21 H new ATOM 0 HG22 THR A 94 13.542 12.440 -0.831 1.00 1.21 H new ATOM 0 HG23 THR A 94 13.173 11.437 0.592 1.00 1.21 H new ATOM 1441 N GLU A 95 14.152 7.785 -0.464 1.00 52.22 N ATOM 1442 CA GLU A 95 13.317 6.781 0.183 1.00 23.45 C ATOM 1443 C GLU A 95 13.901 6.378 1.535 1.00 2.44 C ATOM 1444 O GLU A 95 14.671 5.422 1.632 1.00 13.25 O ATOM 1445 CB GLU A 95 13.179 5.547 -0.711 1.00 52.03 C ATOM 1446 CG GLU A 95 14.496 5.068 -1.297 1.00 62.43 C ATOM 1447 CD GLU A 95 14.534 3.565 -1.496 1.00 12.00 C ATOM 1448 OE1 GLU A 95 13.451 2.960 -1.645 1.00 64.22 O ATOM 1449 OE2 GLU A 95 15.644 2.994 -1.503 1.00 42.40 O ATOM 0 H GLU A 95 14.936 7.405 -0.994 1.00 52.22 H new ATOM 0 HA GLU A 95 12.331 7.216 0.346 1.00 23.45 H new ATOM 0 HB2 GLU A 95 12.733 4.738 -0.132 1.00 52.03 H new ATOM 0 HB3 GLU A 95 12.490 5.774 -1.525 1.00 52.03 H new ATOM 0 HG2 GLU A 95 14.664 5.562 -2.254 1.00 62.43 H new ATOM 0 HG3 GLU A 95 15.312 5.364 -0.638 1.00 62.43 H new ATOM 1456 N LEU A 96 13.529 7.116 2.576 1.00 70.20 N ATOM 1457 CA LEU A 96 14.015 6.838 3.923 1.00 12.31 C ATOM 1458 C LEU A 96 13.156 5.777 4.603 1.00 2.04 C ATOM 1459 O LEU A 96 13.654 4.728 5.012 1.00 22.11 O ATOM 1460 CB LEU A 96 14.021 8.119 4.759 1.00 2.30 C ATOM 1461 CG LEU A 96 12.928 9.137 4.434 1.00 33.54 C ATOM 1462 CD1 LEU A 96 12.402 9.780 5.709 1.00 42.13 C ATOM 1463 CD2 LEU A 96 13.452 10.197 3.476 1.00 14.21 C ATOM 0 H LEU A 96 12.893 7.911 2.513 1.00 70.20 H new ATOM 0 HA LEU A 96 15.034 6.459 3.844 1.00 12.31 H new ATOM 0 HB2 LEU A 96 13.932 7.844 5.810 1.00 2.30 H new ATOM 0 HB3 LEU A 96 14.989 8.604 4.637 1.00 2.30 H new ATOM 0 HG LEU A 96 12.104 8.614 3.948 1.00 33.54 H new ATOM 0 HD11 LEU A 96 11.625 10.502 5.459 1.00 42.13 H new ATOM 0 HD12 LEU A 96 11.987 9.011 6.360 1.00 42.13 H new ATOM 0 HD13 LEU A 96 13.217 10.289 6.223 1.00 42.13 H new ATOM 0 HD21 LEU A 96 12.660 10.913 3.256 1.00 14.21 H new ATOM 0 HD22 LEU A 96 14.294 10.717 3.934 1.00 14.21 H new ATOM 0 HD23 LEU A 96 13.778 9.722 2.551 1.00 14.21 H new ATOM 1475 N VAL A 97 11.862 6.057 4.721 1.00 72.01 N ATOM 1476 CA VAL A 97 10.932 5.127 5.349 1.00 24.53 C ATOM 1477 C VAL A 97 9.832 4.709 4.379 1.00 42.21 C ATOM 1478 O VAL A 97 9.428 5.484 3.512 1.00 41.32 O ATOM 1479 CB VAL A 97 10.287 5.739 6.606 1.00 2.23 C ATOM 1480 CG1 VAL A 97 9.474 6.973 6.242 1.00 61.32 C ATOM 1481 CG2 VAL A 97 9.421 4.709 7.316 1.00 2.32 C ATOM 0 H VAL A 97 11.434 6.921 4.389 1.00 72.01 H new ATOM 0 HA VAL A 97 11.511 4.250 5.638 1.00 24.53 H new ATOM 0 HB VAL A 97 11.080 6.044 7.288 1.00 2.23 H new ATOM 0 HG11 VAL A 97 9.026 7.392 7.143 1.00 61.32 H new ATOM 0 HG12 VAL A 97 10.126 7.716 5.782 1.00 61.32 H new ATOM 0 HG13 VAL A 97 8.687 6.696 5.540 1.00 61.32 H new ATOM 0 HG21 VAL A 97 8.973 5.159 8.202 1.00 2.32 H new ATOM 0 HG22 VAL A 97 8.633 4.370 6.643 1.00 2.32 H new ATOM 0 HG23 VAL A 97 10.036 3.859 7.612 1.00 2.32 H new ATOM 1491 N ARG A 98 9.351 3.480 4.532 1.00 44.34 N ATOM 1492 CA ARG A 98 8.298 2.959 3.668 1.00 53.22 C ATOM 1493 C ARG A 98 6.978 2.851 4.425 1.00 31.05 C ATOM 1494 O ARG A 98 6.961 2.717 5.649 1.00 73.42 O ATOM 1495 CB ARG A 98 8.694 1.589 3.114 1.00 4.12 C ATOM 1496 CG ARG A 98 8.202 1.339 1.698 1.00 31.21 C ATOM 1497 CD ARG A 98 7.128 0.262 1.664 1.00 71.20 C ATOM 1498 NE ARG A 98 7.548 -0.907 0.897 1.00 45.34 N ATOM 1499 CZ ARG A 98 8.320 -1.870 1.387 1.00 12.14 C ATOM 1500 NH1 ARG A 98 8.752 -1.804 2.639 1.00 61.45 N ATOM 1501 NH2 ARG A 98 8.660 -2.901 0.626 1.00 61.43 N ATOM 0 H ARG A 98 9.673 2.826 5.246 1.00 44.34 H new ATOM 0 HA ARG A 98 8.166 3.654 2.839 1.00 53.22 H new ATOM 0 HB2 ARG A 98 9.780 1.499 3.133 1.00 4.12 H new ATOM 0 HB3 ARG A 98 8.298 0.813 3.769 1.00 4.12 H new ATOM 0 HG2 ARG A 98 7.804 2.264 1.281 1.00 31.21 H new ATOM 0 HG3 ARG A 98 9.040 1.039 1.068 1.00 31.21 H new ATOM 0 HD2 ARG A 98 6.886 -0.041 2.683 1.00 71.20 H new ATOM 0 HD3 ARG A 98 6.217 0.673 1.229 1.00 71.20 H new ATOM 0 HE ARG A 98 7.231 -0.989 -0.069 1.00 45.34 H new ATOM 0 HH11 ARG A 98 8.491 -1.013 3.227 1.00 61.45 H new ATOM 0 HH12 ARG A 98 9.345 -2.545 3.014 1.00 61.45 H new ATOM 0 HH21 ARG A 98 8.329 -2.955 -0.337 1.00 61.43 H new ATOM 0 HH22 ARG A 98 9.253 -3.640 1.004 1.00 61.43 H new ATOM 1515 N VAL A 99 5.873 2.913 3.689 1.00 32.12 N ATOM 1516 CA VAL A 99 4.548 2.822 4.291 1.00 33.22 C ATOM 1517 C VAL A 99 3.748 1.671 3.689 1.00 24.10 C ATOM 1518 O VAL A 99 3.770 1.452 2.478 1.00 53.03 O ATOM 1519 CB VAL A 99 3.758 4.132 4.109 1.00 32.50 C ATOM 1520 CG1 VAL A 99 2.264 3.876 4.244 1.00 11.51 C ATOM 1521 CG2 VAL A 99 4.221 5.177 5.111 1.00 22.22 C ATOM 0 H VAL A 99 5.869 3.026 2.675 1.00 32.12 H new ATOM 0 HA VAL A 99 4.696 2.640 5.355 1.00 33.22 H new ATOM 0 HB VAL A 99 3.948 4.515 3.106 1.00 32.50 H new ATOM 0 HG11 VAL A 99 1.721 4.812 4.113 1.00 11.51 H new ATOM 0 HG12 VAL A 99 1.947 3.163 3.483 1.00 11.51 H new ATOM 0 HG13 VAL A 99 2.052 3.470 5.233 1.00 11.51 H new ATOM 0 HG21 VAL A 99 3.652 6.096 4.968 1.00 22.22 H new ATOM 0 HG22 VAL A 99 4.062 4.806 6.123 1.00 22.22 H new ATOM 0 HG23 VAL A 99 5.281 5.380 4.961 1.00 22.22 H new ATOM 1531 N THR A 100 3.042 0.937 4.544 1.00 3.24 N ATOM 1532 CA THR A 100 2.237 -0.192 4.097 1.00 21.33 C ATOM 1533 C THR A 100 0.787 -0.043 4.544 1.00 54.12 C ATOM 1534 O THR A 100 0.453 0.859 5.311 1.00 71.32 O ATOM 1535 CB THR A 100 2.792 -1.525 4.633 1.00 52.30 C ATOM 1536 OG1 THR A 100 2.428 -1.690 6.009 1.00 72.34 O ATOM 1537 CG2 THR A 100 4.306 -1.575 4.494 1.00 23.51 C ATOM 0 H THR A 100 3.012 1.105 5.550 1.00 3.24 H new ATOM 0 HA THR A 100 2.281 -0.200 3.008 1.00 21.33 H new ATOM 0 HB THR A 100 2.362 -2.335 4.045 1.00 52.30 H new ATOM 0 HG1 THR A 100 2.783 -2.541 6.342 1.00 72.34 H new ATOM 0 HG21 THR A 100 4.676 -2.525 4.879 1.00 23.51 H new ATOM 0 HG22 THR A 100 4.578 -1.479 3.443 1.00 23.51 H new ATOM 0 HG23 THR A 100 4.751 -0.757 5.060 1.00 23.51 H new ATOM 1545 N ASN A 101 -0.072 -0.934 4.057 1.00 41.22 N ATOM 1546 CA ASN A 101 -1.487 -0.901 4.406 1.00 11.42 C ATOM 1547 C ASN A 101 -2.180 0.295 3.758 1.00 32.11 C ATOM 1548 O ASN A 101 -2.719 1.162 4.446 1.00 32.31 O ATOM 1549 CB ASN A 101 -1.658 -0.840 5.926 1.00 60.34 C ATOM 1550 CG ASN A 101 -2.960 -1.467 6.386 1.00 62.32 C ATOM 1551 OD1 ASN A 101 -3.180 -2.666 6.214 1.00 42.24 O ATOM 1552 ND2 ASN A 101 -3.830 -0.657 6.976 1.00 41.10 N ATOM 0 H ASN A 101 0.188 -1.687 3.420 1.00 41.22 H new ATOM 0 HA ASN A 101 -1.949 -1.814 4.031 1.00 11.42 H new ATOM 0 HB2 ASN A 101 -0.823 -1.352 6.404 1.00 60.34 H new ATOM 0 HB3 ASN A 101 -1.623 0.200 6.252 1.00 60.34 H new ATOM 0 HD21 ASN A 101 -4.723 -1.022 7.308 1.00 41.10 H new ATOM 0 HD22 ASN A 101 -3.606 0.331 7.098 1.00 41.10 H new