USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 707 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 83 ASN : amide:sc= -0.128 X(o=-0.24,f=-0.29) USER MOD Set 1.2: A 85 HIS : no HD1:sc= -0.114 X(o=-0.24,f=-0.13) USER MOD Set 2.1: A 8 HIS : no HD1:sc= -2.03! C(o=-2.2!,f=-13!) USER MOD Set 2.2: A 16 THR OG1 : rot -160:sc= 0.691 USER MOD Set 2.3: A 68 GLN : amide:sc= -0.867! X(o=-2.2!,f=-2.6) USER MOD Set 3.1: A 17 GLN : amide:sc= -2.4! C(o=-5.3!,f=-13!) USER MOD Set 3.2: A 61 GLN : amide:sc= -0.829 K(o=-5.3,f=-9.7!) USER MOD Set 3.3: A 64 GLN : amide:sc= -2.04 K(o=-5.3,f=-9.9!) USER MOD Set 4.1: A 32 ASN : amide:sc= -2.66! K(o=-2.8!,f=-0.45) USER MOD Set 4.2: A 33 ASN : amide:sc= -0.139 K(o=-2.8,f=-0.45) USER MOD Single : A 1 MET CE :methyl -137:sc= -0.243 (180deg=-0.515) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.155 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -1.48! K(o=-1.5!,f=0.46) USER MOD Single : A 4 HIS : no HE2:sc= -0.0441 K(o=-0.044,f=-0.8) USER MOD Single : A 5 HIS : no HE2:sc= -1.15 K(o=-1.1,f=-4.4!) USER MOD Single : A 6 HIS : no HD1:sc= -0.797 X(o=-0.8,f=-0.99) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.00042) USER MOD Single : A 9 MET CE :methyl 158:sc= -0.239 (180deg=-0.76) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.131 K(o=0.13,f=-1.3) USER MOD Single : A 21 SER OG : rot -95:sc= -1.13 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.17 K(o=-1.2,f=-6!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -152:sc= 0 (180deg=-0.0118) USER MOD Single : A 45 SER OG : rot 38:sc= 0.16 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= -0.0524 (180deg=-0.275) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 62 CYS SG : rot 110:sc= -4.61! USER MOD Single : A 71 THR OG1 : rot -160:sc= 0 USER MOD Single : A 73 MET CE :methyl 161:sc= -0.147 (180deg=-0.64) USER MOD Single : A 77 SER OG : rot 100:sc= 0.172 USER MOD Single : A 81 HIS : no HE2:sc= 0.493 K(o=0.49,f=-2.6!) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 30:sc=-0.00635 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.674 -6.546 -2.726 1.00 73.22 N ATOM 2 CA MET A 1 15.587 -8.005 -2.477 1.00 15.13 C ATOM 3 C MET A 1 14.561 -8.631 -3.415 1.00 45.32 C ATOM 4 O MET A 1 14.094 -7.980 -4.347 1.00 32.32 O ATOM 5 CB MET A 1 15.221 -8.299 -1.010 1.00 22.50 C ATOM 6 CG MET A 1 16.268 -7.838 -0.003 1.00 70.23 C ATOM 7 SD MET A 1 15.933 -8.437 1.666 1.00 24.24 S ATOM 8 CE MET A 1 14.304 -7.753 1.965 1.00 64.32 C ATOM 0 H1 MET A 1 16.669 -6.275 -2.860 1.00 73.22 H new ATOM 0 H2 MET A 1 15.132 -6.307 -3.581 1.00 73.22 H new ATOM 0 H3 MET A 1 15.282 -6.031 -1.912 1.00 73.22 H new ATOM 0 HA MET A 1 16.565 -8.444 -2.671 1.00 15.13 H new ATOM 0 HB2 MET A 1 14.272 -7.814 -0.779 1.00 22.50 H new ATOM 0 HB3 MET A 1 15.068 -9.372 -0.893 1.00 22.50 H new ATOM 0 HG2 MET A 1 17.251 -8.187 -0.320 1.00 70.23 H new ATOM 0 HG3 MET A 1 16.304 -6.749 0.006 1.00 70.23 H new ATOM 0 HE1 MET A 1 14.260 -7.347 2.976 1.00 64.32 H new ATOM 0 HE2 MET A 1 14.105 -6.958 1.246 1.00 64.32 H new ATOM 0 HE3 MET A 1 13.555 -8.537 1.856 1.00 64.32 H new ATOM 20 N ALA A 2 14.215 -9.892 -3.165 1.00 54.21 N ATOM 21 CA ALA A 2 13.290 -10.642 -4.021 1.00 14.23 C ATOM 22 C ALA A 2 11.943 -9.933 -4.205 1.00 44.12 C ATOM 23 O ALA A 2 11.313 -10.063 -5.254 1.00 53.24 O ATOM 24 CB ALA A 2 13.066 -12.038 -3.448 1.00 73.44 C ATOM 0 H ALA A 2 14.565 -10.423 -2.368 1.00 54.21 H new ATOM 0 HA ALA A 2 13.753 -10.711 -5.005 1.00 14.23 H new ATOM 0 HB1 ALA A 2 12.378 -12.589 -4.090 1.00 73.44 H new ATOM 0 HB2 ALA A 2 14.017 -12.568 -3.398 1.00 73.44 H new ATOM 0 HB3 ALA A 2 12.642 -11.957 -2.447 1.00 73.44 H new ATOM 30 N HIS A 3 11.499 -9.208 -3.170 1.00 41.44 N ATOM 31 CA HIS A 3 10.190 -8.518 -3.165 1.00 1.43 C ATOM 32 C HIS A 3 9.022 -9.503 -3.017 1.00 4.31 C ATOM 33 O HIS A 3 7.979 -9.151 -2.460 1.00 2.31 O ATOM 34 CB HIS A 3 9.981 -7.652 -4.426 1.00 5.12 C ATOM 35 CG HIS A 3 10.683 -6.325 -4.393 1.00 63.14 C ATOM 36 ND1 HIS A 3 10.051 -5.146 -4.057 1.00 24.54 N ATOM 37 CD2 HIS A 3 11.963 -5.992 -4.672 1.00 72.24 C ATOM 38 CE1 HIS A 3 10.913 -4.149 -4.132 1.00 45.21 C ATOM 39 NE2 HIS A 3 12.082 -4.635 -4.505 1.00 10.03 N ATOM 0 H HIS A 3 12.032 -9.080 -2.310 1.00 41.44 H new ATOM 0 HA HIS A 3 10.204 -7.861 -2.296 1.00 1.43 H new ATOM 0 HB2 HIS A 3 10.327 -8.210 -5.296 1.00 5.12 H new ATOM 0 HB3 HIS A 3 8.913 -7.481 -4.561 1.00 5.12 H new ATOM 0 HD2 HIS A 3 12.749 -6.670 -4.972 1.00 72.24 H new ATOM 0 HE1 HIS A 3 10.698 -3.111 -3.923 1.00 45.21 H new ATOM 0 HE2 HIS A 3 12.934 -4.092 -4.646 1.00 10.03 H new ATOM 48 N HIS A 4 9.183 -10.715 -3.542 1.00 40.34 N ATOM 49 CA HIS A 4 8.168 -11.761 -3.423 1.00 51.01 C ATOM 50 C HIS A 4 7.974 -12.148 -1.955 1.00 53.23 C ATOM 51 O HIS A 4 8.617 -13.076 -1.454 1.00 0.34 O ATOM 52 CB HIS A 4 8.581 -12.989 -4.251 1.00 50.20 C ATOM 53 CG HIS A 4 7.602 -14.125 -4.199 1.00 33.32 C ATOM 54 ND1 HIS A 4 7.640 -15.103 -3.231 1.00 30.31 N ATOM 55 CD2 HIS A 4 6.562 -14.441 -5.007 1.00 2.31 C ATOM 56 CE1 HIS A 4 6.670 -15.972 -3.448 1.00 13.25 C ATOM 57 NE2 HIS A 4 5.999 -15.593 -4.519 1.00 22.43 N ATOM 0 H HIS A 4 10.015 -11.000 -4.059 1.00 40.34 H new ATOM 0 HA HIS A 4 7.222 -11.380 -3.807 1.00 51.01 H new ATOM 0 HB2 HIS A 4 8.713 -12.685 -5.289 1.00 50.20 H new ATOM 0 HB3 HIS A 4 9.549 -13.343 -3.897 1.00 50.20 H new ATOM 0 HD1 HIS A 4 8.313 -15.149 -2.466 1.00 30.31 H new ATOM 0 HD2 HIS A 4 6.236 -13.888 -5.875 1.00 2.31 H new ATOM 0 HE1 HIS A 4 6.461 -16.846 -2.849 1.00 13.25 H new ATOM 66 N HIS A 5 7.099 -11.417 -1.266 1.00 52.40 N ATOM 67 CA HIS A 5 6.884 -11.614 0.169 1.00 51.23 C ATOM 68 C HIS A 5 5.552 -12.311 0.436 1.00 25.42 C ATOM 69 O HIS A 5 5.304 -12.785 1.545 1.00 52.12 O ATOM 70 CB HIS A 5 6.948 -10.272 0.912 1.00 11.32 C ATOM 71 CG HIS A 5 6.917 -10.405 2.406 1.00 24.41 C ATOM 72 ND1 HIS A 5 7.902 -11.052 3.123 1.00 1.43 N ATOM 73 CD2 HIS A 5 6.016 -9.971 3.318 1.00 64.02 C ATOM 74 CE1 HIS A 5 7.609 -11.006 4.408 1.00 33.02 C ATOM 75 NE2 HIS A 5 6.470 -10.354 4.555 1.00 22.00 N ATOM 0 H HIS A 5 6.526 -10.681 -1.678 1.00 52.40 H new ATOM 0 HA HIS A 5 7.681 -12.257 0.543 1.00 51.23 H new ATOM 0 HB2 HIS A 5 7.860 -9.750 0.622 1.00 11.32 H new ATOM 0 HB3 HIS A 5 6.110 -9.651 0.594 1.00 11.32 H new ATOM 0 HD1 HIS A 5 8.728 -11.496 2.722 1.00 1.43 H new ATOM 0 HD2 HIS A 5 5.108 -9.424 3.111 1.00 64.02 H new ATOM 0 HE1 HIS A 5 8.201 -11.430 5.206 1.00 33.02 H new ATOM 84 N HIS A 6 4.687 -12.361 -0.578 1.00 34.21 N ATOM 85 CA HIS A 6 3.437 -13.116 -0.471 1.00 74.21 C ATOM 86 C HIS A 6 3.786 -14.603 -0.465 1.00 71.31 C ATOM 87 O HIS A 6 3.935 -15.226 -1.516 1.00 5.52 O ATOM 88 CB HIS A 6 2.492 -12.772 -1.636 1.00 64.32 C ATOM 89 CG HIS A 6 1.044 -13.074 -1.364 1.00 13.35 C ATOM 90 ND1 HIS A 6 0.108 -12.089 -1.132 1.00 0.10 N ATOM 91 CD2 HIS A 6 0.370 -14.248 -1.289 1.00 40.24 C ATOM 92 CE1 HIS A 6 -1.071 -12.640 -0.924 1.00 55.12 C ATOM 93 NE2 HIS A 6 -0.946 -13.950 -1.013 1.00 52.24 N ATOM 0 H HIS A 6 4.826 -11.893 -1.474 1.00 34.21 H new ATOM 0 HA HIS A 6 2.915 -12.855 0.450 1.00 74.21 H new ATOM 0 HB2 HIS A 6 2.593 -11.712 -1.870 1.00 64.32 H new ATOM 0 HB3 HIS A 6 2.807 -13.325 -2.521 1.00 64.32 H new ATOM 0 HD2 HIS A 6 0.788 -15.235 -1.421 1.00 40.24 H new ATOM 0 HE1 HIS A 6 -1.987 -12.107 -0.715 1.00 55.12 H new ATOM 0 HE2 HIS A 6 -1.698 -14.629 -0.897 1.00 52.24 H new ATOM 102 N HIS A 7 3.959 -15.153 0.731 1.00 31.13 N ATOM 103 CA HIS A 7 4.605 -16.455 0.899 1.00 13.43 C ATOM 104 C HIS A 7 3.609 -17.609 0.805 1.00 13.23 C ATOM 105 O HIS A 7 4.003 -18.758 0.598 1.00 24.42 O ATOM 106 CB HIS A 7 5.342 -16.490 2.246 1.00 45.10 C ATOM 107 CG HIS A 7 6.272 -17.658 2.419 1.00 22.34 C ATOM 108 ND1 HIS A 7 6.380 -18.367 3.597 1.00 12.53 N ATOM 109 CD2 HIS A 7 7.176 -18.209 1.571 1.00 21.41 C ATOM 110 CE1 HIS A 7 7.307 -19.298 3.466 1.00 22.12 C ATOM 111 NE2 HIS A 7 7.804 -19.224 2.248 1.00 52.52 N ATOM 0 H HIS A 7 3.661 -14.718 1.604 1.00 31.13 H new ATOM 0 HA HIS A 7 5.318 -16.585 0.085 1.00 13.43 H new ATOM 0 HB2 HIS A 7 5.913 -15.568 2.357 1.00 45.10 H new ATOM 0 HB3 HIS A 7 4.605 -16.507 3.049 1.00 45.10 H new ATOM 0 HD2 HIS A 7 7.366 -17.905 0.552 1.00 21.41 H new ATOM 0 HE1 HIS A 7 7.607 -20.001 4.229 1.00 22.12 H new ATOM 0 HE2 HIS A 7 8.537 -19.824 1.870 1.00 52.52 H new ATOM 120 N HIS A 8 2.327 -17.308 0.971 1.00 52.21 N ATOM 121 CA HIS A 8 1.280 -18.322 0.851 1.00 10.20 C ATOM 122 C HIS A 8 0.742 -18.347 -0.576 1.00 44.12 C ATOM 123 O HIS A 8 0.426 -17.300 -1.141 1.00 2.14 O ATOM 124 CB HIS A 8 0.142 -18.047 1.842 1.00 2.10 C ATOM 125 CG HIS A 8 0.541 -18.193 3.282 1.00 65.54 C ATOM 126 ND1 HIS A 8 1.220 -17.217 3.977 1.00 13.43 N ATOM 127 CD2 HIS A 8 0.344 -19.204 4.161 1.00 64.25 C ATOM 128 CE1 HIS A 8 1.424 -17.619 5.216 1.00 71.44 C ATOM 129 NE2 HIS A 8 0.902 -18.821 5.356 1.00 64.15 N ATOM 0 H HIS A 8 1.985 -16.372 1.189 1.00 52.21 H new ATOM 0 HA HIS A 8 1.710 -19.295 1.087 1.00 10.20 H new ATOM 0 HB2 HIS A 8 -0.232 -17.036 1.679 1.00 2.10 H new ATOM 0 HB3 HIS A 8 -0.682 -18.729 1.632 1.00 2.10 H new ATOM 0 HD2 HIS A 8 -0.159 -20.138 3.960 1.00 64.25 H new ATOM 0 HE1 HIS A 8 1.933 -17.058 5.986 1.00 71.44 H new ATOM 0 HE2 HIS A 8 0.911 -19.376 6.212 1.00 64.15 H new ATOM 138 N MET A 9 0.643 -19.539 -1.157 1.00 12.25 N ATOM 139 CA MET A 9 0.170 -19.695 -2.531 1.00 2.23 C ATOM 140 C MET A 9 -0.733 -20.920 -2.637 1.00 52.43 C ATOM 141 O MET A 9 -0.417 -21.976 -2.089 1.00 54.21 O ATOM 142 CB MET A 9 1.360 -19.830 -3.495 1.00 51.52 C ATOM 143 CG MET A 9 0.957 -19.956 -4.960 1.00 71.54 C ATOM 144 SD MET A 9 2.378 -20.164 -6.060 1.00 31.53 S ATOM 145 CE MET A 9 3.072 -21.697 -5.436 1.00 44.51 C ATOM 0 H MET A 9 0.885 -20.416 -0.696 1.00 12.25 H new ATOM 0 HA MET A 9 -0.402 -18.809 -2.806 1.00 2.23 H new ATOM 0 HB2 MET A 9 2.008 -18.961 -3.380 1.00 51.52 H new ATOM 0 HB3 MET A 9 1.946 -20.705 -3.213 1.00 51.52 H new ATOM 0 HG2 MET A 9 0.286 -20.807 -5.076 1.00 71.54 H new ATOM 0 HG3 MET A 9 0.400 -19.067 -5.257 1.00 71.54 H new ATOM 0 HE1 MET A 9 3.684 -22.161 -6.210 1.00 44.51 H new ATOM 0 HE2 MET A 9 3.689 -21.488 -4.562 1.00 44.51 H new ATOM 0 HE3 MET A 9 2.265 -22.375 -5.157 1.00 44.51 H new ATOM 155 N GLY A 10 -1.858 -20.763 -3.328 1.00 33.52 N ATOM 156 CA GLY A 10 -2.799 -21.855 -3.505 1.00 73.32 C ATOM 157 C GLY A 10 -4.146 -21.368 -4.002 1.00 21.22 C ATOM 158 O GLY A 10 -4.383 -20.159 -4.082 1.00 31.32 O ATOM 0 H GLY A 10 -2.137 -19.889 -3.773 1.00 33.52 H new ATOM 0 HA2 GLY A 10 -2.390 -22.575 -4.213 1.00 73.32 H new ATOM 0 HA3 GLY A 10 -2.929 -22.378 -2.558 1.00 73.32 H new ATOM 162 N THR A 11 -5.029 -22.302 -4.335 1.00 23.20 N ATOM 163 CA THR A 11 -6.358 -21.970 -4.830 1.00 64.11 C ATOM 164 C THR A 11 -7.223 -21.403 -3.702 1.00 2.14 C ATOM 165 O THR A 11 -7.663 -20.252 -3.756 1.00 24.42 O ATOM 166 CB THR A 11 -7.039 -23.218 -5.437 1.00 61.21 C ATOM 167 OG1 THR A 11 -6.149 -23.844 -6.373 1.00 21.55 O ATOM 168 CG2 THR A 11 -8.349 -22.860 -6.137 1.00 2.40 C ATOM 0 H THR A 11 -4.845 -23.303 -4.270 1.00 23.20 H new ATOM 0 HA THR A 11 -6.252 -21.214 -5.608 1.00 64.11 H new ATOM 0 HB THR A 11 -7.270 -23.905 -4.623 1.00 61.21 H new ATOM 0 HG1 THR A 11 -6.581 -24.636 -6.756 1.00 21.55 H new ATOM 0 HG21 THR A 11 -8.799 -23.762 -6.551 1.00 2.40 H new ATOM 0 HG22 THR A 11 -9.034 -22.410 -5.419 1.00 2.40 H new ATOM 0 HG23 THR A 11 -8.150 -22.152 -6.941 1.00 2.40 H new ATOM 176 N LEU A 12 -7.448 -22.217 -2.670 1.00 10.11 N ATOM 177 CA LEU A 12 -8.237 -21.801 -1.511 1.00 62.34 C ATOM 178 C LEU A 12 -7.448 -22.018 -0.221 1.00 50.51 C ATOM 179 O LEU A 12 -6.895 -21.071 0.343 1.00 4.12 O ATOM 180 CB LEU A 12 -9.576 -22.561 -1.452 1.00 73.43 C ATOM 181 CG LEU A 12 -10.571 -22.249 -2.585 1.00 43.20 C ATOM 182 CD1 LEU A 12 -11.831 -23.103 -2.452 1.00 34.05 C ATOM 183 CD2 LEU A 12 -10.926 -20.761 -2.593 1.00 2.42 C ATOM 0 H LEU A 12 -7.093 -23.172 -2.614 1.00 10.11 H new ATOM 0 HA LEU A 12 -8.453 -20.738 -1.615 1.00 62.34 H new ATOM 0 HB2 LEU A 12 -9.366 -23.631 -1.462 1.00 73.43 H new ATOM 0 HB3 LEU A 12 -10.057 -22.339 -0.499 1.00 73.43 H new ATOM 0 HG LEU A 12 -10.094 -22.494 -3.534 1.00 43.20 H new ATOM 0 HD11 LEU A 12 -12.519 -22.865 -3.263 1.00 34.05 H new ATOM 0 HD12 LEU A 12 -11.562 -24.158 -2.502 1.00 34.05 H new ATOM 0 HD13 LEU A 12 -12.312 -22.896 -1.496 1.00 34.05 H new ATOM 0 HD21 LEU A 12 -11.630 -20.559 -3.400 1.00 2.42 H new ATOM 0 HD22 LEU A 12 -11.380 -20.490 -1.640 1.00 2.42 H new ATOM 0 HD23 LEU A 12 -10.022 -20.172 -2.745 1.00 2.42 H new ATOM 195 N GLU A 13 -7.386 -23.268 0.236 1.00 11.24 N ATOM 196 CA GLU A 13 -6.675 -23.603 1.466 1.00 2.42 C ATOM 197 C GLU A 13 -5.167 -23.642 1.222 1.00 25.54 C ATOM 198 O GLU A 13 -4.619 -24.660 0.789 1.00 43.43 O ATOM 199 CB GLU A 13 -7.164 -24.947 2.037 1.00 52.23 C ATOM 200 CG GLU A 13 -8.560 -24.892 2.659 1.00 2.02 C ATOM 201 CD GLU A 13 -9.613 -24.373 1.696 1.00 23.10 C ATOM 202 OE1 GLU A 13 -9.966 -25.103 0.750 1.00 20.54 O ATOM 203 OE2 GLU A 13 -10.073 -23.227 1.876 1.00 31.04 O ATOM 0 H GLU A 13 -7.821 -24.065 -0.229 1.00 11.24 H new ATOM 0 HA GLU A 13 -6.887 -22.826 2.200 1.00 2.42 H new ATOM 0 HB2 GLU A 13 -7.163 -25.690 1.239 1.00 52.23 H new ATOM 0 HB3 GLU A 13 -6.455 -25.288 2.792 1.00 52.23 H new ATOM 0 HG2 GLU A 13 -8.842 -25.889 2.996 1.00 2.02 H new ATOM 0 HG3 GLU A 13 -8.535 -24.253 3.542 1.00 2.02 H new ATOM 210 N ALA A 14 -4.519 -22.512 1.473 1.00 34.40 N ATOM 211 CA ALA A 14 -3.065 -22.395 1.392 1.00 21.23 C ATOM 212 C ALA A 14 -2.515 -21.937 2.736 1.00 55.24 C ATOM 213 O ALA A 14 -1.432 -21.354 2.826 1.00 61.00 O ATOM 214 CB ALA A 14 -2.677 -21.423 0.281 1.00 34.11 C ATOM 0 H ALA A 14 -4.987 -21.646 1.740 1.00 34.40 H new ATOM 0 HA ALA A 14 -2.634 -23.367 1.154 1.00 21.23 H new ATOM 0 HB1 ALA A 14 -1.591 -21.344 0.230 1.00 34.11 H new ATOM 0 HB2 ALA A 14 -3.059 -21.788 -0.672 1.00 34.11 H new ATOM 0 HB3 ALA A 14 -3.103 -20.442 0.491 1.00 34.11 H new ATOM 220 N GLN A 15 -3.289 -22.220 3.777 1.00 62.31 N ATOM 221 CA GLN A 15 -2.937 -21.853 5.141 1.00 61.21 C ATOM 222 C GLN A 15 -1.829 -22.765 5.675 1.00 41.33 C ATOM 223 O GLN A 15 -1.564 -23.830 5.114 1.00 55.20 O ATOM 224 CB GLN A 15 -4.183 -21.930 6.034 1.00 32.53 C ATOM 225 CG GLN A 15 -4.828 -23.312 6.072 1.00 2.10 C ATOM 226 CD GLN A 15 -6.099 -23.352 6.906 1.00 32.43 C ATOM 227 OE1 GLN A 15 -6.841 -22.373 6.984 1.00 73.03 O ATOM 228 NE2 GLN A 15 -6.353 -24.481 7.548 1.00 54.22 N ATOM 0 H GLN A 15 -4.179 -22.711 3.698 1.00 62.31 H new ATOM 0 HA GLN A 15 -2.561 -20.830 5.148 1.00 61.21 H new ATOM 0 HB2 GLN A 15 -3.910 -21.638 7.048 1.00 32.53 H new ATOM 0 HB3 GLN A 15 -4.917 -21.206 5.681 1.00 32.53 H new ATOM 0 HG2 GLN A 15 -5.058 -23.628 5.054 1.00 2.10 H new ATOM 0 HG3 GLN A 15 -4.113 -24.030 6.475 1.00 2.10 H new ATOM 0 HE21 GLN A 15 -5.715 -25.272 7.460 1.00 54.22 H new ATOM 0 HE22 GLN A 15 -7.186 -24.560 8.131 1.00 54.22 H new ATOM 237 N THR A 16 -1.196 -22.349 6.766 1.00 54.24 N ATOM 238 CA THR A 16 -0.054 -23.069 7.330 1.00 21.43 C ATOM 239 C THR A 16 -0.476 -23.907 8.548 1.00 75.24 C ATOM 240 O THR A 16 0.356 -24.520 9.219 1.00 55.04 O ATOM 241 CB THR A 16 1.054 -22.063 7.735 1.00 2.14 C ATOM 242 OG1 THR A 16 1.259 -21.123 6.667 1.00 30.03 O ATOM 243 CG2 THR A 16 2.380 -22.762 8.038 1.00 42.53 C ATOM 0 H THR A 16 -1.456 -21.509 7.284 1.00 54.24 H new ATOM 0 HA THR A 16 0.333 -23.747 6.570 1.00 21.43 H new ATOM 0 HB THR A 16 0.723 -21.555 8.641 1.00 2.14 H new ATOM 0 HG1 THR A 16 2.138 -20.701 6.767 1.00 30.03 H new ATOM 0 HG21 THR A 16 3.127 -22.019 8.317 1.00 42.53 H new ATOM 0 HG22 THR A 16 2.242 -23.464 8.860 1.00 42.53 H new ATOM 0 HG23 THR A 16 2.718 -23.301 7.153 1.00 42.53 H new ATOM 251 N GLN A 17 -1.777 -23.940 8.818 1.00 13.34 N ATOM 252 CA GLN A 17 -2.316 -24.651 9.975 1.00 34.33 C ATOM 253 C GLN A 17 -3.588 -25.416 9.596 1.00 53.31 C ATOM 254 O GLN A 17 -3.969 -25.459 8.425 1.00 40.31 O ATOM 255 CB GLN A 17 -2.613 -23.668 11.123 1.00 1.43 C ATOM 256 CG GLN A 17 -3.548 -22.518 10.741 1.00 44.23 C ATOM 257 CD GLN A 17 -2.847 -21.397 9.979 1.00 62.21 C ATOM 258 OE1 GLN A 17 -2.743 -21.429 8.754 1.00 74.11 O ATOM 259 NE2 GLN A 17 -2.378 -20.391 10.701 1.00 32.34 N ATOM 0 H GLN A 17 -2.484 -23.478 8.246 1.00 13.34 H new ATOM 0 HA GLN A 17 -1.567 -25.367 10.312 1.00 34.33 H new ATOM 0 HB2 GLN A 17 -3.055 -24.220 11.953 1.00 1.43 H new ATOM 0 HB3 GLN A 17 -1.672 -23.252 11.482 1.00 1.43 H new ATOM 0 HG2 GLN A 17 -4.362 -22.909 10.131 1.00 44.23 H new ATOM 0 HG3 GLN A 17 -3.996 -22.108 11.646 1.00 44.23 H new ATOM 0 HE21 GLN A 17 -2.483 -20.399 11.716 1.00 32.34 H new ATOM 0 HE22 GLN A 17 -1.912 -19.608 10.243 1.00 32.34 H new ATOM 268 N GLY A 18 -4.233 -26.017 10.595 1.00 74.42 N ATOM 269 CA GLY A 18 -5.468 -26.755 10.374 1.00 12.00 C ATOM 270 C GLY A 18 -6.576 -26.298 11.308 1.00 35.14 C ATOM 271 O GLY A 18 -6.392 -25.341 12.059 1.00 43.04 O ATOM 0 H GLY A 18 -3.917 -26.005 11.565 1.00 74.42 H new ATOM 0 HA2 GLY A 18 -5.788 -26.626 9.340 1.00 12.00 H new ATOM 0 HA3 GLY A 18 -5.286 -27.820 10.520 1.00 12.00 H new ATOM 275 N PRO A 19 -7.745 -26.966 11.287 1.00 2.43 N ATOM 276 CA PRO A 19 -8.885 -26.598 12.138 1.00 73.41 C ATOM 277 C PRO A 19 -8.616 -26.878 13.620 1.00 73.01 C ATOM 278 O PRO A 19 -8.989 -27.929 14.147 1.00 12.24 O ATOM 279 CB PRO A 19 -10.029 -27.478 11.607 1.00 61.45 C ATOM 280 CG PRO A 19 -9.339 -28.658 11.008 1.00 2.54 C ATOM 281 CD PRO A 19 -8.052 -28.130 10.430 1.00 51.13 C ATOM 0 HA PRO A 19 -9.105 -25.531 12.092 1.00 73.41 H new ATOM 0 HB2 PRO A 19 -10.705 -27.777 12.408 1.00 61.45 H new ATOM 0 HB3 PRO A 19 -10.627 -26.948 10.866 1.00 61.45 H new ATOM 0 HG2 PRO A 19 -9.145 -29.422 11.761 1.00 2.54 H new ATOM 0 HG3 PRO A 19 -9.954 -29.120 10.236 1.00 2.54 H new ATOM 0 HD2 PRO A 19 -7.259 -28.877 10.467 1.00 51.13 H new ATOM 0 HD3 PRO A 19 -8.169 -27.841 9.386 1.00 51.13 H new ATOM 289 N GLY A 20 -7.934 -25.947 14.278 1.00 44.34 N ATOM 290 CA GLY A 20 -7.649 -26.084 15.696 1.00 15.12 C ATOM 291 C GLY A 20 -8.809 -25.629 16.561 1.00 30.50 C ATOM 292 O GLY A 20 -8.713 -24.616 17.258 1.00 30.22 O ATOM 0 H GLY A 20 -7.571 -25.094 13.852 1.00 44.34 H new ATOM 0 HA2 GLY A 20 -7.418 -27.126 15.919 1.00 15.12 H new ATOM 0 HA3 GLY A 20 -6.762 -25.501 15.944 1.00 15.12 H new ATOM 296 N SER A 21 -9.916 -26.364 16.505 1.00 5.35 N ATOM 297 CA SER A 21 -11.099 -26.037 17.293 1.00 13.22 C ATOM 298 C SER A 21 -11.609 -27.272 18.032 1.00 35.21 C ATOM 299 O SER A 21 -11.751 -28.350 17.443 1.00 61.22 O ATOM 300 CB SER A 21 -12.201 -25.476 16.386 1.00 65.31 C ATOM 301 OG SER A 21 -13.343 -25.086 17.137 1.00 31.31 O ATOM 0 H SER A 21 -10.018 -27.193 15.920 1.00 5.35 H new ATOM 0 HA SER A 21 -10.825 -25.280 18.028 1.00 13.22 H new ATOM 0 HB2 SER A 21 -11.817 -24.619 15.833 1.00 65.31 H new ATOM 0 HB3 SER A 21 -12.487 -26.228 15.651 1.00 65.31 H new ATOM 0 HG SER A 21 -13.997 -25.816 17.141 1.00 31.31 H new ATOM 307 N MET A 22 -11.876 -27.108 19.324 1.00 40.34 N ATOM 308 CA MET A 22 -12.442 -28.179 20.149 1.00 11.43 C ATOM 309 C MET A 22 -13.875 -27.837 20.535 1.00 25.31 C ATOM 310 O MET A 22 -14.497 -28.515 21.355 1.00 73.35 O ATOM 311 CB MET A 22 -11.587 -28.396 21.405 1.00 14.10 C ATOM 312 CG MET A 22 -11.498 -27.177 22.321 1.00 73.13 C ATOM 313 SD MET A 22 -10.401 -27.441 23.733 1.00 12.04 S ATOM 314 CE MET A 22 -10.409 -25.810 24.482 1.00 34.42 C ATOM 0 H MET A 22 -11.709 -26.238 19.829 1.00 40.34 H new ATOM 0 HA MET A 22 -12.445 -29.103 19.571 1.00 11.43 H new ATOM 0 HB2 MET A 22 -11.998 -29.232 21.971 1.00 14.10 H new ATOM 0 HB3 MET A 22 -10.580 -28.682 21.100 1.00 14.10 H new ATOM 0 HG2 MET A 22 -11.144 -26.321 21.746 1.00 73.13 H new ATOM 0 HG3 MET A 22 -12.495 -26.927 22.683 1.00 73.13 H new ATOM 0 HE1 MET A 22 -9.774 -25.814 25.368 1.00 34.42 H new ATOM 0 HE2 MET A 22 -10.030 -25.080 23.767 1.00 34.42 H new ATOM 0 HE3 MET A 22 -11.427 -25.545 24.766 1.00 34.42 H new ATOM 324 N ASP A 23 -14.386 -26.788 19.917 1.00 74.42 N ATOM 325 CA ASP A 23 -15.735 -26.289 20.187 1.00 12.13 C ATOM 326 C ASP A 23 -16.649 -26.583 19.001 1.00 74.30 C ATOM 327 O ASP A 23 -16.181 -26.678 17.864 1.00 71.42 O ATOM 328 CB ASP A 23 -15.700 -24.785 20.479 1.00 21.15 C ATOM 329 CG ASP A 23 -17.066 -24.233 20.852 1.00 3.10 C ATOM 330 OD1 ASP A 23 -17.574 -24.579 21.938 1.00 33.13 O ATOM 331 OD2 ASP A 23 -17.639 -23.450 20.067 1.00 40.20 O ATOM 0 H ASP A 23 -13.881 -26.252 19.211 1.00 74.42 H new ATOM 0 HA ASP A 23 -16.129 -26.799 21.066 1.00 12.13 H new ATOM 0 HB2 ASP A 23 -14.999 -24.592 21.291 1.00 21.15 H new ATOM 0 HB3 ASP A 23 -15.325 -24.257 19.603 1.00 21.15 H new ATOM 336 N ASP A 24 -17.948 -26.715 19.268 1.00 42.31 N ATOM 337 CA ASP A 24 -18.905 -27.177 18.256 1.00 42.05 C ATOM 338 C ASP A 24 -19.411 -26.037 17.367 1.00 40.34 C ATOM 339 O ASP A 24 -19.890 -26.281 16.258 1.00 21.12 O ATOM 340 CB ASP A 24 -20.096 -27.881 18.923 1.00 70.42 C ATOM 341 CG ASP A 24 -21.040 -28.519 17.910 1.00 43.13 C ATOM 342 OD1 ASP A 24 -20.685 -29.576 17.343 1.00 1.13 O ATOM 343 OD2 ASP A 24 -22.143 -27.980 17.683 1.00 14.53 O ATOM 0 H ASP A 24 -18.365 -26.509 20.176 1.00 42.31 H new ATOM 0 HA ASP A 24 -18.372 -27.882 17.618 1.00 42.05 H new ATOM 0 HB2 ASP A 24 -19.726 -28.648 19.603 1.00 70.42 H new ATOM 0 HB3 ASP A 24 -20.649 -27.160 19.526 1.00 70.42 H new ATOM 348 N GLU A 25 -19.316 -24.798 17.840 1.00 43.24 N ATOM 349 CA GLU A 25 -19.779 -23.656 17.054 1.00 32.13 C ATOM 350 C GLU A 25 -18.769 -23.330 15.958 1.00 71.11 C ATOM 351 O GLU A 25 -17.930 -22.438 16.110 1.00 11.21 O ATOM 352 CB GLU A 25 -20.016 -22.432 17.947 1.00 24.04 C ATOM 353 CG GLU A 25 -20.984 -22.688 19.098 1.00 41.52 C ATOM 354 CD GLU A 25 -22.343 -23.202 18.640 1.00 11.45 C ATOM 355 OE1 GLU A 25 -23.031 -22.493 17.876 1.00 25.03 O ATOM 356 OE2 GLU A 25 -22.729 -24.320 19.049 1.00 40.34 O ATOM 0 H GLU A 25 -18.928 -24.559 18.752 1.00 43.24 H new ATOM 0 HA GLU A 25 -20.729 -23.922 16.591 1.00 32.13 H new ATOM 0 HB2 GLU A 25 -19.061 -22.101 18.355 1.00 24.04 H new ATOM 0 HB3 GLU A 25 -20.401 -21.616 17.335 1.00 24.04 H new ATOM 0 HG2 GLU A 25 -20.541 -23.412 19.782 1.00 41.52 H new ATOM 0 HG3 GLU A 25 -21.123 -21.764 19.659 1.00 41.52 H new ATOM 363 N LEU A 26 -18.825 -24.089 14.872 1.00 21.21 N ATOM 364 CA LEU A 26 -17.913 -23.895 13.750 1.00 15.43 C ATOM 365 C LEU A 26 -18.312 -22.674 12.919 1.00 11.11 C ATOM 366 O LEU A 26 -19.442 -22.183 12.997 1.00 33.23 O ATOM 367 CB LEU A 26 -17.854 -25.154 12.858 1.00 3.44 C ATOM 368 CG LEU A 26 -16.888 -26.264 13.327 1.00 42.43 C ATOM 369 CD1 LEU A 26 -17.248 -26.768 14.720 1.00 63.11 C ATOM 370 CD2 LEU A 26 -16.871 -27.422 12.329 1.00 21.13 C ATOM 0 H LEU A 26 -19.494 -24.848 14.743 1.00 21.21 H new ATOM 0 HA LEU A 26 -16.919 -23.719 14.162 1.00 15.43 H new ATOM 0 HB2 LEU A 26 -18.857 -25.576 12.790 1.00 3.44 H new ATOM 0 HB3 LEU A 26 -17.567 -24.850 11.851 1.00 3.44 H new ATOM 0 HG LEU A 26 -15.889 -25.830 13.377 1.00 42.43 H new ATOM 0 HD11 LEU A 26 -16.547 -27.548 15.017 1.00 63.11 H new ATOM 0 HD12 LEU A 26 -17.195 -25.943 15.430 1.00 63.11 H new ATOM 0 HD13 LEU A 26 -18.260 -27.174 14.710 1.00 63.11 H new ATOM 0 HD21 LEU A 26 -16.184 -28.193 12.678 1.00 21.13 H new ATOM 0 HD22 LEU A 26 -17.873 -27.841 12.241 1.00 21.13 H new ATOM 0 HD23 LEU A 26 -16.543 -27.058 11.355 1.00 21.13 H new ATOM 382 N TYR A 27 -17.360 -22.193 12.136 1.00 5.01 N ATOM 383 CA TYR A 27 -17.556 -21.073 11.226 1.00 1.23 C ATOM 384 C TYR A 27 -17.021 -21.437 9.848 1.00 21.45 C ATOM 385 O TYR A 27 -16.063 -22.209 9.729 1.00 35.30 O ATOM 386 CB TYR A 27 -16.835 -19.812 11.738 1.00 52.12 C ATOM 387 CG TYR A 27 -17.608 -19.012 12.775 1.00 2.32 C ATOM 388 CD1 TYR A 27 -17.813 -19.500 14.062 1.00 64.22 C ATOM 389 CD2 TYR A 27 -18.124 -17.758 12.460 1.00 22.21 C ATOM 390 CE1 TYR A 27 -18.512 -18.762 15.000 1.00 54.23 C ATOM 391 CE2 TYR A 27 -18.822 -17.017 13.392 1.00 1.01 C ATOM 392 CZ TYR A 27 -19.013 -17.522 14.661 1.00 13.21 C ATOM 393 OH TYR A 27 -19.711 -16.787 15.594 1.00 30.44 O ATOM 0 H TYR A 27 -16.414 -22.575 12.113 1.00 5.01 H new ATOM 0 HA TYR A 27 -18.624 -20.861 11.168 1.00 1.23 H new ATOM 0 HB2 TYR A 27 -15.877 -20.107 12.167 1.00 52.12 H new ATOM 0 HB3 TYR A 27 -16.618 -19.165 10.888 1.00 52.12 H new ATOM 0 HD1 TYR A 27 -17.421 -20.469 14.332 1.00 64.22 H new ATOM 0 HD2 TYR A 27 -17.975 -17.358 11.468 1.00 22.21 H new ATOM 0 HE1 TYR A 27 -18.665 -19.155 15.994 1.00 54.23 H new ATOM 0 HE2 TYR A 27 -19.217 -16.047 13.129 1.00 1.01 H new ATOM 0 HH TYR A 27 -19.994 -15.937 15.196 1.00 30.44 H new ATOM 403 N PHE A 28 -17.648 -20.881 8.821 1.00 71.32 N ATOM 404 CA PHE A 28 -17.217 -21.056 7.440 1.00 10.14 C ATOM 405 C PHE A 28 -16.815 -19.706 6.868 1.00 42.44 C ATOM 406 O PHE A 28 -17.176 -18.665 7.420 1.00 44.14 O ATOM 407 CB PHE A 28 -18.351 -21.664 6.587 1.00 40.34 C ATOM 408 CG PHE A 28 -18.057 -23.052 6.080 1.00 41.12 C ATOM 409 CD1 PHE A 28 -16.834 -23.340 5.503 1.00 74.33 C ATOM 410 CD2 PHE A 28 -18.995 -24.066 6.190 1.00 65.42 C ATOM 411 CE1 PHE A 28 -16.558 -24.608 5.042 1.00 21.32 C ATOM 412 CE2 PHE A 28 -18.718 -25.340 5.728 1.00 62.14 C ATOM 413 CZ PHE A 28 -17.497 -25.608 5.153 1.00 60.33 C ATOM 0 H PHE A 28 -18.475 -20.292 8.922 1.00 71.32 H new ATOM 0 HA PHE A 28 -16.367 -21.738 7.419 1.00 10.14 H new ATOM 0 HB2 PHE A 28 -19.265 -21.691 7.181 1.00 40.34 H new ATOM 0 HB3 PHE A 28 -18.543 -21.010 5.736 1.00 40.34 H new ATOM 0 HD1 PHE A 28 -16.089 -22.564 5.413 1.00 74.33 H new ATOM 0 HD2 PHE A 28 -19.954 -23.859 6.642 1.00 65.42 H new ATOM 0 HE1 PHE A 28 -15.600 -24.819 4.591 1.00 21.32 H new ATOM 0 HE2 PHE A 28 -19.458 -26.122 5.818 1.00 62.14 H new ATOM 0 HZ PHE A 28 -17.276 -26.601 4.790 1.00 60.33 H new ATOM 423 N VAL A 29 -16.072 -19.718 5.770 1.00 31.31 N ATOM 424 CA VAL A 29 -15.776 -18.496 5.047 1.00 3.35 C ATOM 425 C VAL A 29 -16.798 -18.372 3.929 1.00 63.31 C ATOM 426 O VAL A 29 -17.146 -19.369 3.311 1.00 22.10 O ATOM 427 CB VAL A 29 -14.334 -18.519 4.480 1.00 23.40 C ATOM 428 CG1 VAL A 29 -14.076 -17.336 3.553 1.00 63.55 C ATOM 429 CG2 VAL A 29 -13.314 -18.551 5.619 1.00 71.30 C ATOM 0 H VAL A 29 -15.665 -20.560 5.364 1.00 31.31 H new ATOM 0 HA VAL A 29 -15.836 -17.637 5.715 1.00 3.35 H new ATOM 0 HB VAL A 29 -14.223 -19.427 3.887 1.00 23.40 H new ATOM 0 HG11 VAL A 29 -13.055 -17.386 3.175 1.00 63.55 H new ATOM 0 HG12 VAL A 29 -14.775 -17.370 2.717 1.00 63.55 H new ATOM 0 HG13 VAL A 29 -14.214 -16.405 4.104 1.00 63.55 H new ATOM 0 HG21 VAL A 29 -12.306 -18.567 5.204 1.00 71.30 H new ATOM 0 HG22 VAL A 29 -13.436 -17.665 6.242 1.00 71.30 H new ATOM 0 HG23 VAL A 29 -13.472 -19.444 6.224 1.00 71.30 H new ATOM 439 N VAL A 30 -17.329 -17.181 3.695 1.00 64.44 N ATOM 440 CA VAL A 30 -18.364 -17.014 2.682 1.00 74.31 C ATOM 441 C VAL A 30 -18.101 -15.804 1.805 1.00 41.10 C ATOM 442 O VAL A 30 -17.271 -14.945 2.132 1.00 44.12 O ATOM 443 CB VAL A 30 -19.777 -16.900 3.303 1.00 20.14 C ATOM 444 CG1 VAL A 30 -20.115 -18.160 4.097 1.00 2.32 C ATOM 445 CG2 VAL A 30 -19.907 -15.647 4.171 1.00 64.13 C ATOM 0 H VAL A 30 -17.066 -16.326 4.185 1.00 64.44 H new ATOM 0 HA VAL A 30 -18.329 -17.913 2.066 1.00 74.31 H new ATOM 0 HB VAL A 30 -20.496 -16.806 2.490 1.00 20.14 H new ATOM 0 HG11 VAL A 30 -21.112 -18.063 4.527 1.00 2.32 H new ATOM 0 HG12 VAL A 30 -20.088 -19.025 3.435 1.00 2.32 H new ATOM 0 HG13 VAL A 30 -19.386 -18.292 4.897 1.00 2.32 H new ATOM 0 HG21 VAL A 30 -20.911 -15.598 4.591 1.00 64.13 H new ATOM 0 HG22 VAL A 30 -19.177 -15.687 4.979 1.00 64.13 H new ATOM 0 HG23 VAL A 30 -19.725 -14.762 3.562 1.00 64.13 H new ATOM 455 N ARG A 31 -18.805 -15.765 0.680 1.00 74.21 N ATOM 456 CA ARG A 31 -18.696 -14.668 -0.276 1.00 61.34 C ATOM 457 C ARG A 31 -19.827 -14.748 -1.300 1.00 65.32 C ATOM 458 O ARG A 31 -20.578 -15.723 -1.320 1.00 35.24 O ATOM 459 CB ARG A 31 -17.332 -14.730 -0.989 1.00 41.42 C ATOM 460 CG ARG A 31 -17.001 -16.112 -1.551 1.00 24.13 C ATOM 461 CD ARG A 31 -15.640 -16.144 -2.245 1.00 34.43 C ATOM 462 NE ARG A 31 -15.642 -15.419 -3.515 1.00 52.03 N ATOM 463 CZ ARG A 31 -14.563 -15.243 -4.284 1.00 70.33 C ATOM 464 NH1 ARG A 31 -13.381 -15.722 -3.914 1.00 13.04 N ATOM 465 NH2 ARG A 31 -14.669 -14.595 -5.433 1.00 53.34 N ATOM 0 H ARG A 31 -19.466 -16.491 0.404 1.00 74.21 H new ATOM 0 HA ARG A 31 -18.775 -13.722 0.260 1.00 61.34 H new ATOM 0 HB2 ARG A 31 -17.322 -14.004 -1.802 1.00 41.42 H new ATOM 0 HB3 ARG A 31 -16.551 -14.435 -0.289 1.00 41.42 H new ATOM 0 HG2 ARG A 31 -17.011 -16.843 -0.742 1.00 24.13 H new ATOM 0 HG3 ARG A 31 -17.775 -16.409 -2.259 1.00 24.13 H new ATOM 0 HD2 ARG A 31 -14.889 -15.711 -1.584 1.00 34.43 H new ATOM 0 HD3 ARG A 31 -15.350 -17.180 -2.422 1.00 34.43 H new ATOM 0 HE ARG A 31 -16.525 -15.021 -3.835 1.00 52.03 H new ATOM 0 HH11 ARG A 31 -13.289 -16.231 -3.035 1.00 13.04 H new ATOM 0 HH12 ARG A 31 -12.565 -15.581 -4.509 1.00 13.04 H new ATOM 0 HH21 ARG A 31 -15.574 -14.230 -5.731 1.00 53.34 H new ATOM 0 HH22 ARG A 31 -13.846 -14.460 -6.020 1.00 53.34 H new ATOM 479 N ASN A 32 -19.976 -13.701 -2.112 1.00 2.23 N ATOM 480 CA ASN A 32 -20.819 -13.771 -3.309 1.00 31.43 C ATOM 481 C ASN A 32 -20.580 -12.573 -4.215 1.00 1.13 C ATOM 482 O ASN A 32 -20.470 -11.448 -3.737 1.00 32.34 O ATOM 483 CB ASN A 32 -22.317 -13.837 -2.956 1.00 44.45 C ATOM 484 CG ASN A 32 -22.850 -12.602 -2.228 1.00 22.14 C ATOM 485 OD1 ASN A 32 -23.976 -12.164 -2.476 1.00 21.30 O ATOM 486 ND2 ASN A 32 -22.071 -12.044 -1.310 1.00 21.21 N ATOM 0 H ASN A 32 -19.527 -12.797 -1.965 1.00 2.23 H new ATOM 0 HA ASN A 32 -20.541 -14.688 -3.830 1.00 31.43 H new ATOM 0 HB2 ASN A 32 -22.888 -13.977 -3.874 1.00 44.45 H new ATOM 0 HB3 ASN A 32 -22.493 -14.715 -2.334 1.00 44.45 H new ATOM 0 HD21 ASN A 32 -22.399 -11.231 -0.788 1.00 21.21 H new ATOM 0 HD22 ASN A 32 -21.144 -12.428 -1.126 1.00 21.21 H new ATOM 493 N ASN A 33 -20.557 -12.842 -5.527 1.00 42.50 N ATOM 494 CA ASN A 33 -20.437 -11.828 -6.597 1.00 1.24 C ATOM 495 C ASN A 33 -19.500 -10.647 -6.264 1.00 14.24 C ATOM 496 O ASN A 33 -19.526 -9.626 -6.949 1.00 32.20 O ATOM 497 CB ASN A 33 -21.832 -11.299 -6.991 1.00 73.12 C ATOM 498 CG ASN A 33 -22.508 -10.491 -5.894 1.00 2.33 C ATOM 499 OD1 ASN A 33 -22.280 -9.290 -5.761 1.00 42.53 O ATOM 500 ND2 ASN A 33 -23.373 -11.136 -5.122 1.00 65.15 N ATOM 0 H ASN A 33 -20.623 -13.793 -5.889 1.00 42.50 H new ATOM 0 HA ASN A 33 -19.973 -12.346 -7.436 1.00 1.24 H new ATOM 0 HB2 ASN A 33 -21.738 -10.679 -7.882 1.00 73.12 H new ATOM 0 HB3 ASN A 33 -22.470 -12.142 -7.255 1.00 73.12 H new ATOM 0 HD21 ASN A 33 -23.875 -10.635 -4.389 1.00 65.15 H new ATOM 0 HD22 ASN A 33 -23.536 -12.133 -5.262 1.00 65.15 H new ATOM 507 N GLU A 34 -18.649 -10.789 -5.249 1.00 12.12 N ATOM 508 CA GLU A 34 -17.842 -9.666 -4.762 1.00 15.25 C ATOM 509 C GLU A 34 -16.351 -9.855 -5.038 1.00 55.43 C ATOM 510 O GLU A 34 -15.618 -8.875 -5.190 1.00 11.43 O ATOM 511 CB GLU A 34 -18.090 -9.464 -3.260 1.00 31.40 C ATOM 512 CG GLU A 34 -17.776 -10.687 -2.403 1.00 45.21 C ATOM 513 CD GLU A 34 -18.250 -10.526 -0.968 1.00 55.45 C ATOM 514 OE1 GLU A 34 -17.563 -9.844 -0.177 1.00 52.32 O ATOM 515 OE2 GLU A 34 -19.317 -11.075 -0.627 1.00 70.25 O ATOM 0 H GLU A 34 -18.499 -11.665 -4.749 1.00 12.12 H new ATOM 0 HA GLU A 34 -18.152 -8.775 -5.309 1.00 15.25 H new ATOM 0 HB2 GLU A 34 -17.485 -8.626 -2.913 1.00 31.40 H new ATOM 0 HB3 GLU A 34 -19.134 -9.187 -3.110 1.00 31.40 H new ATOM 0 HG2 GLU A 34 -18.248 -11.566 -2.842 1.00 45.21 H new ATOM 0 HG3 GLU A 34 -16.701 -10.866 -2.410 1.00 45.21 H new ATOM 522 N GLY A 35 -15.898 -11.107 -5.087 1.00 13.30 N ATOM 523 CA GLY A 35 -14.476 -11.375 -5.254 1.00 3.53 C ATOM 524 C GLY A 35 -13.700 -11.105 -3.975 1.00 21.20 C ATOM 525 O GLY A 35 -12.468 -11.136 -3.957 1.00 11.05 O ATOM 0 H GLY A 35 -16.486 -11.937 -5.015 1.00 13.30 H new ATOM 0 HA2 GLY A 35 -14.334 -12.413 -5.554 1.00 3.53 H new ATOM 0 HA3 GLY A 35 -14.080 -10.754 -6.058 1.00 3.53 H new ATOM 529 N GLN A 36 -14.439 -10.837 -2.907 1.00 72.42 N ATOM 530 CA GLN A 36 -13.880 -10.566 -1.585 1.00 74.31 C ATOM 531 C GLN A 36 -14.337 -11.669 -0.626 1.00 21.04 C ATOM 532 O GLN A 36 -15.220 -12.456 -0.969 1.00 51.11 O ATOM 533 CB GLN A 36 -14.348 -9.174 -1.112 1.00 41.20 C ATOM 534 CG GLN A 36 -13.843 -8.745 0.266 1.00 14.33 C ATOM 535 CD GLN A 36 -12.334 -8.560 0.344 1.00 24.11 C ATOM 536 OE1 GLN A 36 -11.571 -9.221 -0.354 1.00 61.54 O ATOM 537 NE2 GLN A 36 -11.897 -7.652 1.201 1.00 51.11 N ATOM 0 H GLN A 36 -15.458 -10.801 -2.933 1.00 72.42 H new ATOM 0 HA GLN A 36 -12.790 -10.562 -1.616 1.00 74.31 H new ATOM 0 HB2 GLN A 36 -14.027 -8.433 -1.844 1.00 41.20 H new ATOM 0 HB3 GLN A 36 -15.438 -9.160 -1.101 1.00 41.20 H new ATOM 0 HG2 GLN A 36 -14.328 -7.809 0.544 1.00 14.33 H new ATOM 0 HG3 GLN A 36 -14.145 -9.491 1.001 1.00 14.33 H new ATOM 0 HE21 GLN A 36 -12.561 -7.121 1.765 1.00 51.11 H new ATOM 0 HE22 GLN A 36 -10.896 -7.482 1.298 1.00 51.11 H new ATOM 546 N TYR A 37 -13.737 -11.738 0.559 1.00 44.03 N ATOM 547 CA TYR A 37 -14.045 -12.800 1.517 1.00 31.33 C ATOM 548 C TYR A 37 -14.738 -12.276 2.766 1.00 72.14 C ATOM 549 O TYR A 37 -14.597 -11.107 3.131 1.00 73.10 O ATOM 550 CB TYR A 37 -12.767 -13.554 1.904 1.00 65.43 C ATOM 551 CG TYR A 37 -12.357 -14.576 0.868 1.00 23.52 C ATOM 552 CD1 TYR A 37 -13.116 -15.722 0.692 1.00 60.30 C ATOM 553 CD2 TYR A 37 -11.238 -14.395 0.059 1.00 24.31 C ATOM 554 CE1 TYR A 37 -12.776 -16.665 -0.255 1.00 72.34 C ATOM 555 CE2 TYR A 37 -10.893 -15.335 -0.896 1.00 24.44 C ATOM 556 CZ TYR A 37 -11.666 -16.467 -1.048 1.00 11.32 C ATOM 557 OH TYR A 37 -11.333 -17.404 -1.997 1.00 0.35 O ATOM 0 H TYR A 37 -13.035 -11.072 0.881 1.00 44.03 H new ATOM 0 HA TYR A 37 -14.738 -13.482 1.024 1.00 31.33 H new ATOM 0 HB2 TYR A 37 -11.956 -12.839 2.044 1.00 65.43 H new ATOM 0 HB3 TYR A 37 -12.920 -14.053 2.861 1.00 65.43 H new ATOM 0 HD1 TYR A 37 -13.989 -15.879 1.307 1.00 60.30 H new ATOM 0 HD2 TYR A 37 -10.632 -13.509 0.179 1.00 24.31 H new ATOM 0 HE1 TYR A 37 -13.377 -17.555 -0.375 1.00 72.34 H new ATOM 0 HE2 TYR A 37 -10.024 -15.183 -1.519 1.00 24.44 H new ATOM 0 HH TYR A 37 -10.526 -17.116 -2.472 1.00 0.35 H new ATOM 567 N SER A 38 -15.515 -13.160 3.392 1.00 71.15 N ATOM 568 CA SER A 38 -16.140 -12.905 4.684 1.00 73.51 C ATOM 569 C SER A 38 -16.245 -14.216 5.468 1.00 12.10 C ATOM 570 O SER A 38 -15.810 -15.260 4.986 1.00 11.10 O ATOM 571 CB SER A 38 -17.536 -12.288 4.496 1.00 52.44 C ATOM 572 OG SER A 38 -17.459 -11.018 3.864 1.00 71.45 O ATOM 0 H SER A 38 -15.729 -14.081 3.010 1.00 71.15 H new ATOM 0 HA SER A 38 -15.525 -12.198 5.241 1.00 73.51 H new ATOM 0 HB2 SER A 38 -18.154 -12.957 3.898 1.00 52.44 H new ATOM 0 HB3 SER A 38 -18.024 -12.185 5.465 1.00 52.44 H new ATOM 0 HG SER A 38 -18.361 -10.651 3.756 1.00 71.45 H new ATOM 578 N VAL A 39 -16.808 -14.162 6.671 1.00 63.03 N ATOM 579 CA VAL A 39 -17.030 -15.368 7.470 1.00 5.30 C ATOM 580 C VAL A 39 -18.501 -15.503 7.839 1.00 14.12 C ATOM 581 O VAL A 39 -19.267 -14.541 7.750 1.00 3.12 O ATOM 582 CB VAL A 39 -16.162 -15.398 8.756 1.00 35.10 C ATOM 583 CG1 VAL A 39 -14.685 -15.598 8.406 1.00 34.34 C ATOM 584 CG2 VAL A 39 -16.362 -14.125 9.576 1.00 24.42 C ATOM 0 H VAL A 39 -17.119 -13.299 7.116 1.00 63.03 H new ATOM 0 HA VAL A 39 -16.729 -16.213 6.850 1.00 5.30 H new ATOM 0 HB VAL A 39 -16.483 -16.243 9.365 1.00 35.10 H new ATOM 0 HG11 VAL A 39 -14.093 -15.616 9.321 1.00 34.34 H new ATOM 0 HG12 VAL A 39 -14.561 -16.542 7.875 1.00 34.34 H new ATOM 0 HG13 VAL A 39 -14.347 -14.778 7.772 1.00 34.34 H new ATOM 0 HG21 VAL A 39 -15.744 -14.169 10.473 1.00 24.42 H new ATOM 0 HG22 VAL A 39 -16.075 -13.259 8.979 1.00 24.42 H new ATOM 0 HG23 VAL A 39 -17.410 -14.037 9.862 1.00 24.42 H new ATOM 594 N TRP A 40 -18.886 -16.702 8.259 1.00 31.10 N ATOM 595 CA TRP A 40 -20.281 -17.021 8.539 1.00 74.31 C ATOM 596 C TRP A 40 -20.362 -18.098 9.614 1.00 25.31 C ATOM 597 O TRP A 40 -19.467 -18.936 9.728 1.00 1.51 O ATOM 598 CB TRP A 40 -20.949 -17.496 7.243 1.00 25.04 C ATOM 599 CG TRP A 40 -22.426 -17.753 7.330 1.00 64.03 C ATOM 600 CD1 TRP A 40 -23.060 -18.956 7.180 1.00 73.50 C ATOM 601 CD2 TRP A 40 -23.453 -16.783 7.562 1.00 63.34 C ATOM 602 NE1 TRP A 40 -24.418 -18.785 7.287 1.00 4.55 N ATOM 603 CE2 TRP A 40 -24.682 -17.467 7.531 1.00 73.33 C ATOM 604 CE3 TRP A 40 -23.456 -15.402 7.796 1.00 72.11 C ATOM 605 CZ2 TRP A 40 -25.894 -16.823 7.714 1.00 64.30 C ATOM 606 CZ3 TRP A 40 -24.666 -14.764 7.983 1.00 51.14 C ATOM 607 CH2 TRP A 40 -25.872 -15.477 7.943 1.00 71.21 C ATOM 0 H TRP A 40 -18.243 -17.478 8.415 1.00 31.10 H new ATOM 0 HA TRP A 40 -20.800 -16.136 8.907 1.00 74.31 H new ATOM 0 HB2 TRP A 40 -20.774 -16.748 6.470 1.00 25.04 H new ATOM 0 HB3 TRP A 40 -20.458 -18.413 6.917 1.00 25.04 H new ATOM 0 HD1 TRP A 40 -22.566 -19.900 7.004 1.00 73.50 H new ATOM 0 HE1 TRP A 40 -25.117 -19.523 7.199 1.00 4.55 H new ATOM 0 HE3 TRP A 40 -22.530 -14.847 7.829 1.00 72.11 H new ATOM 0 HZ2 TRP A 40 -26.826 -17.367 7.677 1.00 64.30 H new ATOM 0 HZ3 TRP A 40 -24.683 -13.699 8.163 1.00 51.14 H new ATOM 0 HH2 TRP A 40 -26.803 -14.951 8.096 1.00 71.21 H new ATOM 618 N MET A 41 -21.429 -18.072 10.402 1.00 15.53 N ATOM 619 CA MET A 41 -21.604 -19.032 11.489 1.00 1.22 C ATOM 620 C MET A 41 -22.264 -20.307 10.967 1.00 72.33 C ATOM 621 O MET A 41 -23.318 -20.249 10.328 1.00 71.32 O ATOM 622 CB MET A 41 -22.441 -18.412 12.618 1.00 42.31 C ATOM 623 CG MET A 41 -22.509 -19.266 13.878 1.00 31.15 C ATOM 624 SD MET A 41 -23.399 -18.447 15.220 1.00 32.11 S ATOM 625 CE MET A 41 -23.115 -19.601 16.559 1.00 73.30 C ATOM 0 H MET A 41 -22.188 -17.397 10.310 1.00 15.53 H new ATOM 0 HA MET A 41 -20.624 -19.291 11.890 1.00 1.22 H new ATOM 0 HB2 MET A 41 -22.024 -17.438 12.873 1.00 42.31 H new ATOM 0 HB3 MET A 41 -23.453 -18.239 12.253 1.00 42.31 H new ATOM 0 HG2 MET A 41 -22.998 -20.212 13.646 1.00 31.15 H new ATOM 0 HG3 MET A 41 -21.497 -19.502 14.208 1.00 31.15 H new ATOM 0 HE1 MET A 41 -23.941 -19.546 17.268 1.00 73.30 H new ATOM 0 HE2 MET A 41 -23.047 -20.613 16.159 1.00 73.30 H new ATOM 0 HE3 MET A 41 -22.184 -19.348 17.066 1.00 73.30 H new ATOM 635 N ASP A 42 -21.637 -21.451 11.236 1.00 51.30 N ATOM 636 CA ASP A 42 -22.134 -22.739 10.754 1.00 11.42 C ATOM 637 C ASP A 42 -23.466 -23.091 11.412 1.00 34.45 C ATOM 638 O ASP A 42 -23.682 -22.812 12.596 1.00 34.15 O ATOM 639 CB ASP A 42 -21.103 -23.846 11.019 1.00 70.44 C ATOM 640 CG ASP A 42 -21.608 -25.232 10.646 1.00 62.11 C ATOM 641 OD1 ASP A 42 -21.862 -25.477 9.449 1.00 62.33 O ATOM 642 OD2 ASP A 42 -21.753 -26.083 11.552 1.00 14.52 O ATOM 0 H ASP A 42 -20.781 -21.512 11.787 1.00 51.30 H new ATOM 0 HA ASP A 42 -22.294 -22.658 9.679 1.00 11.42 H new ATOM 0 HB2 ASP A 42 -20.196 -23.632 10.454 1.00 70.44 H new ATOM 0 HB3 ASP A 42 -20.831 -23.836 12.075 1.00 70.44 H new ATOM 647 N GLY A 43 -24.350 -23.704 10.631 1.00 43.50 N ATOM 648 CA GLY A 43 -25.675 -24.058 11.104 1.00 3.14 C ATOM 649 C GLY A 43 -26.756 -23.222 10.443 1.00 31.24 C ATOM 650 O GLY A 43 -27.935 -23.573 10.487 1.00 3.04 O ATOM 0 H GLY A 43 -24.167 -23.965 9.662 1.00 43.50 H new ATOM 0 HA2 GLY A 43 -25.861 -25.114 10.906 1.00 3.14 H new ATOM 0 HA3 GLY A 43 -25.722 -23.923 12.185 1.00 3.14 H new ATOM 654 N ARG A 44 -26.351 -22.119 9.819 1.00 4.12 N ATOM 655 CA ARG A 44 -27.289 -21.204 9.168 1.00 32.44 C ATOM 656 C ARG A 44 -27.257 -21.398 7.652 1.00 64.22 C ATOM 657 O ARG A 44 -26.181 -21.498 7.055 1.00 52.23 O ATOM 658 CB ARG A 44 -26.937 -19.753 9.514 1.00 0.23 C ATOM 659 CG ARG A 44 -26.837 -19.481 11.012 1.00 25.34 C ATOM 660 CD ARG A 44 -26.464 -18.033 11.292 1.00 30.41 C ATOM 661 NE ARG A 44 -26.205 -17.795 12.714 1.00 65.32 N ATOM 662 CZ ARG A 44 -26.092 -16.584 13.258 1.00 41.11 C ATOM 663 NH1 ARG A 44 -26.265 -15.498 12.511 1.00 33.33 N ATOM 664 NH2 ARG A 44 -25.815 -16.456 14.549 1.00 23.54 N ATOM 0 H ARG A 44 -25.374 -21.835 9.749 1.00 4.12 H new ATOM 0 HA ARG A 44 -28.294 -21.423 9.530 1.00 32.44 H new ATOM 0 HB2 ARG A 44 -25.987 -19.498 9.044 1.00 0.23 H new ATOM 0 HB3 ARG A 44 -27.692 -19.094 9.085 1.00 0.23 H new ATOM 0 HG2 ARG A 44 -27.790 -19.711 11.489 1.00 25.34 H new ATOM 0 HG3 ARG A 44 -26.091 -20.142 11.454 1.00 25.34 H new ATOM 0 HD2 ARG A 44 -25.579 -17.769 10.714 1.00 30.41 H new ATOM 0 HD3 ARG A 44 -27.270 -17.380 10.957 1.00 30.41 H new ATOM 0 HE ARG A 44 -26.105 -18.606 13.325 1.00 65.32 H new ATOM 0 HH11 ARG A 44 -26.485 -15.591 11.519 1.00 33.33 H new ATOM 0 HH12 ARG A 44 -26.178 -14.572 12.930 1.00 33.33 H new ATOM 0 HH21 ARG A 44 -25.688 -17.286 15.128 1.00 23.54 H new ATOM 0 HH22 ARG A 44 -25.729 -15.528 14.963 1.00 23.54 H new ATOM 678 N SER A 45 -28.434 -21.440 7.036 1.00 20.53 N ATOM 679 CA SER A 45 -28.552 -21.622 5.595 1.00 5.15 C ATOM 680 C SER A 45 -28.408 -20.288 4.876 1.00 72.32 C ATOM 681 O SER A 45 -29.182 -19.354 5.101 1.00 4.10 O ATOM 682 CB SER A 45 -29.893 -22.287 5.260 1.00 43.33 C ATOM 683 OG SER A 45 -30.968 -21.598 5.873 1.00 24.12 O ATOM 0 H SER A 45 -29.328 -21.349 7.519 1.00 20.53 H new ATOM 0 HA SER A 45 -27.749 -22.274 5.252 1.00 5.15 H new ATOM 0 HB2 SER A 45 -30.035 -22.303 4.179 1.00 43.33 H new ATOM 0 HB3 SER A 45 -29.883 -23.324 5.595 1.00 43.33 H new ATOM 0 HG SER A 45 -30.793 -20.634 5.853 1.00 24.12 H new ATOM 689 N LEU A 46 -27.396 -20.212 4.027 1.00 30.11 N ATOM 690 CA LEU A 46 -27.110 -19.009 3.269 1.00 41.30 C ATOM 691 C LEU A 46 -28.187 -18.730 2.223 1.00 52.25 C ATOM 692 O LEU A 46 -28.739 -19.654 1.622 1.00 65.25 O ATOM 693 CB LEU A 46 -25.743 -19.138 2.602 1.00 31.30 C ATOM 694 CG LEU A 46 -24.547 -18.899 3.530 1.00 40.51 C ATOM 695 CD1 LEU A 46 -23.244 -19.149 2.788 1.00 14.34 C ATOM 696 CD2 LEU A 46 -24.578 -17.480 4.096 1.00 11.43 C ATOM 0 H LEU A 46 -26.752 -20.982 3.845 1.00 30.11 H new ATOM 0 HA LEU A 46 -27.102 -18.166 3.960 1.00 41.30 H new ATOM 0 HB2 LEU A 46 -25.657 -20.136 2.173 1.00 31.30 H new ATOM 0 HB3 LEU A 46 -25.690 -18.430 1.775 1.00 31.30 H new ATOM 0 HG LEU A 46 -24.612 -19.599 4.363 1.00 40.51 H new ATOM 0 HD11 LEU A 46 -22.404 -18.975 3.460 1.00 14.34 H new ATOM 0 HD12 LEU A 46 -23.219 -20.180 2.434 1.00 14.34 H new ATOM 0 HD13 LEU A 46 -23.174 -18.472 1.937 1.00 14.34 H new ATOM 0 HD21 LEU A 46 -23.720 -17.331 4.752 1.00 11.43 H new ATOM 0 HD22 LEU A 46 -24.538 -16.761 3.278 1.00 11.43 H new ATOM 0 HD23 LEU A 46 -25.498 -17.334 4.662 1.00 11.43 H new ATOM 708 N PRO A 47 -28.499 -17.442 1.999 1.00 40.22 N ATOM 709 CA PRO A 47 -29.491 -17.038 1.010 1.00 35.22 C ATOM 710 C PRO A 47 -28.961 -17.151 -0.424 1.00 3.22 C ATOM 711 O PRO A 47 -27.744 -17.084 -0.664 1.00 43.43 O ATOM 712 CB PRO A 47 -29.804 -15.582 1.381 1.00 55.23 C ATOM 713 CG PRO A 47 -28.593 -15.083 2.103 1.00 33.22 C ATOM 714 CD PRO A 47 -27.907 -16.286 2.706 1.00 72.34 C ATOM 0 HA PRO A 47 -30.372 -17.679 1.026 1.00 35.22 H new ATOM 0 HB2 PRO A 47 -30.004 -14.985 0.491 1.00 55.23 H new ATOM 0 HB3 PRO A 47 -30.690 -15.520 2.012 1.00 55.23 H new ATOM 0 HG2 PRO A 47 -27.924 -14.561 1.418 1.00 33.22 H new ATOM 0 HG3 PRO A 47 -28.874 -14.371 2.879 1.00 33.22 H new ATOM 0 HD2 PRO A 47 -26.828 -16.242 2.561 1.00 72.34 H new ATOM 0 HD3 PRO A 47 -28.082 -16.346 3.780 1.00 72.34 H new ATOM 722 N ALA A 48 -29.891 -17.329 -1.364 1.00 24.10 N ATOM 723 CA ALA A 48 -29.562 -17.501 -2.778 1.00 45.31 C ATOM 724 C ALA A 48 -28.544 -16.465 -3.245 1.00 10.30 C ATOM 725 O ALA A 48 -28.740 -15.258 -3.066 1.00 50.42 O ATOM 726 CB ALA A 48 -30.826 -17.423 -3.631 1.00 71.43 C ATOM 0 H ALA A 48 -30.891 -17.358 -1.166 1.00 24.10 H new ATOM 0 HA ALA A 48 -29.113 -18.487 -2.897 1.00 45.31 H new ATOM 0 HB1 ALA A 48 -30.565 -17.553 -4.681 1.00 71.43 H new ATOM 0 HB2 ALA A 48 -31.518 -18.209 -3.329 1.00 71.43 H new ATOM 0 HB3 ALA A 48 -31.299 -16.451 -3.492 1.00 71.43 H new ATOM 732 N GLY A 49 -27.453 -16.944 -3.826 1.00 61.20 N ATOM 733 CA GLY A 49 -26.398 -16.068 -4.298 1.00 60.31 C ATOM 734 C GLY A 49 -25.120 -16.231 -3.501 1.00 71.01 C ATOM 735 O GLY A 49 -24.024 -16.143 -4.057 1.00 13.20 O ATOM 0 H GLY A 49 -27.278 -17.937 -3.981 1.00 61.20 H new ATOM 0 HA2 GLY A 49 -26.198 -16.276 -5.349 1.00 60.31 H new ATOM 0 HA3 GLY A 49 -26.733 -15.033 -4.237 1.00 60.31 H new ATOM 739 N TRP A 50 -25.256 -16.490 -2.199 1.00 52.24 N ATOM 740 CA TRP A 50 -24.094 -16.623 -1.322 1.00 31.12 C ATOM 741 C TRP A 50 -23.433 -17.985 -1.516 1.00 32.34 C ATOM 742 O TRP A 50 -24.068 -18.930 -1.993 1.00 34.24 O ATOM 743 CB TRP A 50 -24.505 -16.422 0.146 1.00 51.44 C ATOM 744 CG TRP A 50 -25.010 -15.037 0.443 1.00 52.31 C ATOM 745 CD1 TRP A 50 -26.026 -14.376 -0.191 1.00 43.21 C ATOM 746 CD2 TRP A 50 -24.525 -14.145 1.455 1.00 52.50 C ATOM 747 NE1 TRP A 50 -26.198 -13.131 0.364 1.00 1.04 N ATOM 748 CE2 TRP A 50 -25.289 -12.965 1.376 1.00 0.44 C ATOM 749 CE3 TRP A 50 -23.516 -14.231 2.419 1.00 71.24 C ATOM 750 CZ2 TRP A 50 -25.076 -11.881 2.226 1.00 41.50 C ATOM 751 CZ3 TRP A 50 -23.306 -13.155 3.262 1.00 43.03 C ATOM 752 CH2 TRP A 50 -24.083 -11.992 3.162 1.00 53.43 C ATOM 0 H TRP A 50 -26.155 -16.611 -1.732 1.00 52.24 H new ATOM 0 HA TRP A 50 -23.370 -15.851 -1.584 1.00 31.12 H new ATOM 0 HB2 TRP A 50 -25.280 -17.145 0.400 1.00 51.44 H new ATOM 0 HB3 TRP A 50 -23.649 -16.633 0.787 1.00 51.44 H new ATOM 0 HD1 TRP A 50 -26.608 -14.775 -1.009 1.00 43.21 H new ATOM 0 HE1 TRP A 50 -26.890 -12.442 0.070 1.00 1.04 H new ATOM 0 HE3 TRP A 50 -22.911 -15.122 2.504 1.00 71.24 H new ATOM 0 HZ2 TRP A 50 -25.674 -10.985 2.149 1.00 41.50 H new ATOM 0 HZ3 TRP A 50 -22.530 -13.211 4.011 1.00 43.03 H new ATOM 0 HH2 TRP A 50 -23.895 -11.169 3.835 1.00 53.43 H new ATOM 763 N GLU A 51 -22.154 -18.074 -1.164 1.00 31.52 N ATOM 764 CA GLU A 51 -21.386 -19.304 -1.332 1.00 65.54 C ATOM 765 C GLU A 51 -20.381 -19.477 -0.190 1.00 44.41 C ATOM 766 O GLU A 51 -19.858 -18.488 0.348 1.00 23.22 O ATOM 767 CB GLU A 51 -20.675 -19.288 -2.694 1.00 21.21 C ATOM 768 CG GLU A 51 -19.652 -18.160 -2.850 1.00 31.04 C ATOM 769 CD GLU A 51 -19.487 -17.680 -4.285 1.00 61.44 C ATOM 770 OE1 GLU A 51 -19.938 -18.382 -5.216 1.00 74.23 O ATOM 771 OE2 GLU A 51 -18.919 -16.583 -4.490 1.00 2.31 O ATOM 0 H GLU A 51 -21.624 -17.303 -0.758 1.00 31.52 H new ATOM 0 HA GLU A 51 -22.067 -20.154 -1.303 1.00 65.54 H new ATOM 0 HB2 GLU A 51 -20.172 -20.244 -2.841 1.00 21.21 H new ATOM 0 HB3 GLU A 51 -21.423 -19.198 -3.482 1.00 21.21 H new ATOM 0 HG2 GLU A 51 -19.954 -17.318 -2.227 1.00 31.04 H new ATOM 0 HG3 GLU A 51 -18.687 -18.502 -2.477 1.00 31.04 H new ATOM 778 N THR A 52 -20.135 -20.740 0.179 1.00 32.54 N ATOM 779 CA THR A 52 -19.239 -21.086 1.283 1.00 63.35 C ATOM 780 C THR A 52 -17.851 -21.482 0.774 1.00 21.15 C ATOM 781 O THR A 52 -17.675 -21.781 -0.409 1.00 10.23 O ATOM 782 CB THR A 52 -19.823 -22.249 2.124 1.00 43.32 C ATOM 783 OG1 THR A 52 -20.210 -23.331 1.263 1.00 14.24 O ATOM 784 CG2 THR A 52 -21.028 -21.797 2.939 1.00 41.04 C ATOM 0 H THR A 52 -20.553 -21.549 -0.281 1.00 32.54 H new ATOM 0 HA THR A 52 -19.144 -20.198 1.908 1.00 63.35 H new ATOM 0 HB THR A 52 -19.047 -22.582 2.813 1.00 43.32 H new ATOM 0 HG1 THR A 52 -20.577 -24.063 1.802 1.00 14.24 H new ATOM 0 HG21 THR A 52 -21.412 -22.638 3.517 1.00 41.04 H new ATOM 0 HG22 THR A 52 -20.730 -20.997 3.617 1.00 41.04 H new ATOM 0 HG23 THR A 52 -21.805 -21.433 2.268 1.00 41.04 H new ATOM 792 N VAL A 53 -16.875 -21.480 1.685 1.00 23.41 N ATOM 793 CA VAL A 53 -15.479 -21.802 1.380 1.00 22.34 C ATOM 794 C VAL A 53 -14.694 -22.041 2.673 1.00 44.25 C ATOM 795 O VAL A 53 -15.042 -21.506 3.745 1.00 74.21 O ATOM 796 CB VAL A 53 -14.754 -20.683 0.552 1.00 51.30 C ATOM 797 CG1 VAL A 53 -14.818 -20.969 -0.949 1.00 62.24 C ATOM 798 CG2 VAL A 53 -15.341 -19.302 0.848 1.00 31.43 C ATOM 0 H VAL A 53 -17.034 -21.252 2.666 1.00 23.41 H new ATOM 0 HA VAL A 53 -15.504 -22.705 0.770 1.00 22.34 H new ATOM 0 HB VAL A 53 -13.708 -20.686 0.859 1.00 51.30 H new ATOM 0 HG11 VAL A 53 -14.307 -20.175 -1.493 1.00 62.24 H new ATOM 0 HG12 VAL A 53 -14.333 -21.923 -1.159 1.00 62.24 H new ATOM 0 HG13 VAL A 53 -15.860 -21.014 -1.267 1.00 62.24 H new ATOM 0 HG21 VAL A 53 -14.817 -18.550 0.259 1.00 31.43 H new ATOM 0 HG22 VAL A 53 -16.400 -19.293 0.588 1.00 31.43 H new ATOM 0 HG23 VAL A 53 -15.226 -19.077 1.908 1.00 31.43 H new ATOM 808 N GLY A 54 -13.645 -22.856 2.561 1.00 3.04 N ATOM 809 CA GLY A 54 -12.734 -23.091 3.666 1.00 22.23 C ATOM 810 C GLY A 54 -12.985 -24.399 4.387 1.00 33.01 C ATOM 811 O GLY A 54 -13.813 -25.211 3.966 1.00 72.20 O ATOM 0 H GLY A 54 -13.410 -23.364 1.708 1.00 3.04 H new ATOM 0 HA2 GLY A 54 -11.711 -23.082 3.291 1.00 22.23 H new ATOM 0 HA3 GLY A 54 -12.820 -22.270 4.378 1.00 22.23 H new ATOM 815 N GLU A 55 -12.242 -24.610 5.462 1.00 4.43 N ATOM 816 CA GLU A 55 -12.452 -25.736 6.356 1.00 31.03 C ATOM 817 C GLU A 55 -13.165 -25.216 7.601 1.00 24.14 C ATOM 818 O GLU A 55 -12.611 -24.377 8.316 1.00 23.13 O ATOM 819 CB GLU A 55 -11.100 -26.367 6.728 1.00 24.22 C ATOM 820 CG GLU A 55 -11.199 -27.625 7.588 1.00 31.31 C ATOM 821 CD GLU A 55 -11.845 -28.796 6.862 1.00 15.13 C ATOM 822 OE1 GLU A 55 -11.225 -29.332 5.918 1.00 54.04 O ATOM 823 OE2 GLU A 55 -12.973 -29.189 7.230 1.00 72.41 O ATOM 0 H GLU A 55 -11.472 -24.001 5.740 1.00 4.43 H new ATOM 0 HA GLU A 55 -13.058 -26.504 5.874 1.00 31.03 H new ATOM 0 HB2 GLU A 55 -10.564 -26.611 5.811 1.00 24.22 H new ATOM 0 HB3 GLU A 55 -10.502 -25.626 7.259 1.00 24.22 H new ATOM 0 HG2 GLU A 55 -10.200 -27.914 7.914 1.00 31.31 H new ATOM 0 HG3 GLU A 55 -11.775 -27.400 8.486 1.00 31.31 H new ATOM 830 N PRO A 56 -14.405 -25.667 7.867 1.00 15.13 N ATOM 831 CA PRO A 56 -15.212 -25.118 8.959 1.00 1.52 C ATOM 832 C PRO A 56 -14.533 -25.299 10.318 1.00 72.40 C ATOM 833 O PRO A 56 -14.167 -26.414 10.697 1.00 53.12 O ATOM 834 CB PRO A 56 -16.528 -25.908 8.874 1.00 31.21 C ATOM 835 CG PRO A 56 -16.175 -27.155 8.139 1.00 3.01 C ATOM 836 CD PRO A 56 -15.123 -26.741 7.148 1.00 64.45 C ATOM 0 HA PRO A 56 -15.360 -24.042 8.866 1.00 1.52 H new ATOM 0 HB2 PRO A 56 -16.921 -26.131 9.866 1.00 31.21 H new ATOM 0 HB3 PRO A 56 -17.296 -25.342 8.347 1.00 31.21 H new ATOM 0 HG2 PRO A 56 -15.798 -27.920 8.818 1.00 3.01 H new ATOM 0 HG3 PRO A 56 -17.046 -27.576 7.637 1.00 3.01 H new ATOM 0 HD2 PRO A 56 -14.462 -27.568 6.890 1.00 64.45 H new ATOM 0 HD3 PRO A 56 -15.562 -26.382 6.217 1.00 64.45 H new ATOM 844 N ALA A 57 -14.356 -24.195 11.034 1.00 33.55 N ATOM 845 CA ALA A 57 -13.688 -24.204 12.334 1.00 55.44 C ATOM 846 C ALA A 57 -14.062 -22.951 13.117 1.00 31.23 C ATOM 847 O ALA A 57 -14.707 -22.059 12.574 1.00 52.10 O ATOM 848 CB ALA A 57 -12.176 -24.301 12.159 1.00 52.45 C ATOM 0 H ALA A 57 -14.669 -23.272 10.734 1.00 33.55 H new ATOM 0 HA ALA A 57 -14.018 -25.078 12.895 1.00 55.44 H new ATOM 0 HB1 ALA A 57 -11.696 -24.306 13.138 1.00 52.45 H new ATOM 0 HB2 ALA A 57 -11.929 -25.221 11.629 1.00 52.45 H new ATOM 0 HB3 ALA A 57 -11.820 -23.445 11.585 1.00 52.45 H new ATOM 854 N THR A 58 -13.640 -22.874 14.378 1.00 61.34 N ATOM 855 CA THR A 58 -14.022 -21.766 15.255 1.00 41.54 C ATOM 856 C THR A 58 -13.650 -20.413 14.632 1.00 53.23 C ATOM 857 O THR A 58 -12.717 -20.331 13.827 1.00 72.34 O ATOM 858 CB THR A 58 -13.359 -21.900 16.653 1.00 32.00 C ATOM 859 OG1 THR A 58 -13.867 -20.899 17.542 1.00 12.31 O ATOM 860 CG2 THR A 58 -11.838 -21.780 16.569 1.00 4.31 C ATOM 0 H THR A 58 -13.033 -23.566 14.817 1.00 61.34 H new ATOM 0 HA THR A 58 -15.104 -21.810 15.377 1.00 41.54 H new ATOM 0 HB THR A 58 -13.604 -22.891 17.036 1.00 32.00 H new ATOM 0 HG1 THR A 58 -13.443 -20.995 18.420 1.00 12.31 H new ATOM 0 HG21 THR A 58 -11.410 -21.879 17.566 1.00 4.31 H new ATOM 0 HG22 THR A 58 -11.446 -22.568 15.926 1.00 4.31 H new ATOM 0 HG23 THR A 58 -11.572 -20.808 16.155 1.00 4.31 H new ATOM 868 N LYS A 59 -14.385 -19.364 15.017 1.00 20.01 N ATOM 869 CA LYS A 59 -14.185 -18.011 14.487 1.00 44.32 C ATOM 870 C LYS A 59 -12.699 -17.661 14.422 1.00 75.31 C ATOM 871 O LYS A 59 -12.222 -17.103 13.430 1.00 55.41 O ATOM 872 CB LYS A 59 -14.926 -16.996 15.373 1.00 22.43 C ATOM 873 CG LYS A 59 -14.723 -15.539 14.968 1.00 75.31 C ATOM 874 CD LYS A 59 -15.260 -15.252 13.567 1.00 22.03 C ATOM 875 CE LYS A 59 -15.100 -13.783 13.191 1.00 60.14 C ATOM 876 NZ LYS A 59 -15.830 -12.883 14.123 1.00 44.44 N ATOM 0 H LYS A 59 -15.135 -19.429 15.705 1.00 20.01 H new ATOM 0 HA LYS A 59 -14.586 -17.973 13.474 1.00 44.32 H new ATOM 0 HB2 LYS A 59 -15.992 -17.222 15.349 1.00 22.43 H new ATOM 0 HB3 LYS A 59 -14.596 -17.123 16.404 1.00 22.43 H new ATOM 0 HG2 LYS A 59 -15.223 -14.890 15.687 1.00 75.31 H new ATOM 0 HG3 LYS A 59 -13.661 -15.297 15.005 1.00 75.31 H new ATOM 0 HD2 LYS A 59 -14.734 -15.873 12.842 1.00 22.03 H new ATOM 0 HD3 LYS A 59 -16.313 -15.528 13.518 1.00 22.03 H new ATOM 0 HE2 LYS A 59 -14.042 -13.523 13.191 1.00 60.14 H new ATOM 0 HE3 LYS A 59 -15.466 -13.627 12.176 1.00 60.14 H new ATOM 0 HZ1 LYS A 59 -15.881 -11.928 13.715 1.00 44.44 H new ATOM 0 HZ2 LYS A 59 -16.793 -13.247 14.274 1.00 44.44 H new ATOM 0 HZ3 LYS A 59 -15.328 -12.844 15.033 1.00 44.44 H new ATOM 890 N GLN A 60 -11.983 -18.013 15.483 1.00 12.52 N ATOM 891 CA GLN A 60 -10.545 -17.788 15.579 1.00 60.11 C ATOM 892 C GLN A 60 -9.810 -18.367 14.366 1.00 73.42 C ATOM 893 O GLN A 60 -8.977 -17.700 13.758 1.00 12.21 O ATOM 894 CB GLN A 60 -10.023 -18.433 16.870 1.00 71.20 C ATOM 895 CG GLN A 60 -8.508 -18.416 17.024 1.00 21.32 C ATOM 896 CD GLN A 60 -8.046 -19.202 18.240 1.00 4.32 C ATOM 897 OE1 GLN A 60 -8.740 -19.267 19.252 1.00 72.30 O ATOM 898 NE2 GLN A 60 -6.882 -19.823 18.142 1.00 42.31 N ATOM 0 H GLN A 60 -12.385 -18.464 16.305 1.00 12.52 H new ATOM 0 HA GLN A 60 -10.358 -16.714 15.597 1.00 60.11 H new ATOM 0 HB2 GLN A 60 -10.467 -17.918 17.722 1.00 71.20 H new ATOM 0 HB3 GLN A 60 -10.367 -19.467 16.908 1.00 71.20 H new ATOM 0 HG2 GLN A 60 -8.049 -18.833 16.128 1.00 21.32 H new ATOM 0 HG3 GLN A 60 -8.165 -17.385 17.108 1.00 21.32 H new ATOM 0 HE21 GLN A 60 -6.333 -19.746 17.286 1.00 42.31 H new ATOM 0 HE22 GLN A 60 -6.533 -20.379 18.923 1.00 42.31 H new ATOM 907 N GLN A 61 -10.134 -19.607 14.017 1.00 11.51 N ATOM 908 CA GLN A 61 -9.486 -20.284 12.895 1.00 25.23 C ATOM 909 C GLN A 61 -10.006 -19.735 11.565 1.00 25.12 C ATOM 910 O GLN A 61 -9.271 -19.664 10.576 1.00 72.45 O ATOM 911 CB GLN A 61 -9.728 -21.798 12.978 1.00 32.13 C ATOM 912 CG GLN A 61 -9.175 -22.444 14.244 1.00 4.10 C ATOM 913 CD GLN A 61 -7.674 -22.268 14.393 1.00 71.32 C ATOM 914 OE1 GLN A 61 -6.892 -23.081 13.911 1.00 3.32 O ATOM 915 NE2 GLN A 61 -7.258 -21.205 15.064 1.00 15.31 N ATOM 0 H GLN A 61 -10.842 -20.166 14.494 1.00 11.51 H new ATOM 0 HA GLN A 61 -8.414 -20.097 12.949 1.00 25.23 H new ATOM 0 HB2 GLN A 61 -10.800 -21.988 12.923 1.00 32.13 H new ATOM 0 HB3 GLN A 61 -9.275 -22.277 12.110 1.00 32.13 H new ATOM 0 HG2 GLN A 61 -9.674 -22.014 15.112 1.00 4.10 H new ATOM 0 HG3 GLN A 61 -9.411 -23.508 14.235 1.00 4.10 H new ATOM 0 HE21 GLN A 61 -7.936 -20.549 15.452 1.00 15.31 H new ATOM 0 HE22 GLN A 61 -6.259 -21.042 15.193 1.00 15.31 H new ATOM 924 N CYS A 62 -11.272 -19.328 11.562 1.00 12.43 N ATOM 925 CA CYS A 62 -11.930 -18.848 10.352 1.00 63.15 C ATOM 926 C CYS A 62 -11.260 -17.566 9.847 1.00 45.14 C ATOM 927 O CYS A 62 -10.920 -17.456 8.664 1.00 24.33 O ATOM 928 CB CYS A 62 -13.426 -18.613 10.615 1.00 43.44 C ATOM 929 SG CYS A 62 -14.435 -18.542 9.120 1.00 5.43 S ATOM 0 H CYS A 62 -11.866 -19.321 12.391 1.00 12.43 H new ATOM 0 HA CYS A 62 -11.832 -19.610 9.578 1.00 63.15 H new ATOM 0 HB2 CYS A 62 -13.801 -19.411 11.256 1.00 43.44 H new ATOM 0 HB3 CYS A 62 -13.545 -17.680 11.165 1.00 43.44 H new ATOM 0 HG CYS A 62 -15.186 -19.601 9.053 1.00 5.43 H new ATOM 935 N LEU A 63 -11.053 -16.606 10.754 1.00 32.10 N ATOM 936 CA LEU A 63 -10.380 -15.356 10.399 1.00 54.21 C ATOM 937 C LEU A 63 -8.913 -15.625 10.066 1.00 45.12 C ATOM 938 O LEU A 63 -8.341 -14.994 9.178 1.00 0.30 O ATOM 939 CB LEU A 63 -10.522 -14.304 11.525 1.00 51.43 C ATOM 940 CG LEU A 63 -10.098 -14.740 12.947 1.00 12.23 C ATOM 941 CD1 LEU A 63 -8.591 -14.590 13.151 1.00 32.23 C ATOM 942 CD2 LEU A 63 -10.864 -13.951 14.012 1.00 43.32 C ATOM 0 H LEU A 63 -11.340 -16.671 11.731 1.00 32.10 H new ATOM 0 HA LEU A 63 -10.861 -14.943 9.512 1.00 54.21 H new ATOM 0 HB2 LEU A 63 -9.933 -13.429 11.249 1.00 51.43 H new ATOM 0 HB3 LEU A 63 -11.564 -13.987 11.564 1.00 51.43 H new ATOM 0 HG LEU A 63 -10.348 -15.796 13.053 1.00 12.23 H new ATOM 0 HD11 LEU A 63 -8.327 -14.905 14.161 1.00 32.23 H new ATOM 0 HD12 LEU A 63 -8.062 -15.211 12.428 1.00 32.23 H new ATOM 0 HD13 LEU A 63 -8.307 -13.547 13.011 1.00 32.23 H new ATOM 0 HD21 LEU A 63 -10.548 -14.276 15.003 1.00 43.32 H new ATOM 0 HD22 LEU A 63 -10.657 -12.887 13.896 1.00 43.32 H new ATOM 0 HD23 LEU A 63 -11.933 -14.127 13.896 1.00 43.32 H new ATOM 954 N GLN A 64 -8.332 -16.588 10.774 1.00 23.35 N ATOM 955 CA GLN A 64 -6.944 -16.989 10.569 1.00 61.05 C ATOM 956 C GLN A 64 -6.733 -17.456 9.128 1.00 42.03 C ATOM 957 O GLN A 64 -5.761 -17.079 8.471 1.00 43.03 O ATOM 958 CB GLN A 64 -6.594 -18.119 11.549 1.00 61.12 C ATOM 959 CG GLN A 64 -5.121 -18.515 11.573 1.00 33.54 C ATOM 960 CD GLN A 64 -4.843 -19.727 12.455 1.00 74.01 C ATOM 961 OE1 GLN A 64 -3.784 -19.829 13.081 1.00 25.14 O ATOM 962 NE2 GLN A 64 -5.762 -20.685 12.482 1.00 60.21 N ATOM 0 H GLN A 64 -8.810 -17.113 11.506 1.00 23.35 H new ATOM 0 HA GLN A 64 -6.292 -16.135 10.752 1.00 61.05 H new ATOM 0 HB2 GLN A 64 -6.890 -17.814 12.553 1.00 61.12 H new ATOM 0 HB3 GLN A 64 -7.187 -18.997 11.295 1.00 61.12 H new ATOM 0 HG2 GLN A 64 -4.792 -18.730 10.556 1.00 33.54 H new ATOM 0 HG3 GLN A 64 -4.530 -17.671 11.928 1.00 33.54 H new ATOM 0 HE21 GLN A 64 -6.629 -20.575 11.955 1.00 60.21 H new ATOM 0 HE22 GLN A 64 -5.601 -21.531 13.029 1.00 60.21 H new ATOM 971 N ARG A 65 -7.677 -18.257 8.634 1.00 40.34 N ATOM 972 CA ARG A 65 -7.582 -18.830 7.294 1.00 13.52 C ATOM 973 C ARG A 65 -7.437 -17.736 6.236 1.00 14.24 C ATOM 974 O ARG A 65 -6.507 -17.759 5.432 1.00 44.41 O ATOM 975 CB ARG A 65 -8.828 -19.667 6.973 1.00 2.22 C ATOM 976 CG ARG A 65 -8.862 -20.164 5.529 1.00 23.32 C ATOM 977 CD ARG A 65 -10.218 -20.747 5.156 1.00 54.45 C ATOM 978 NE ARG A 65 -10.301 -21.083 3.729 1.00 65.22 N ATOM 979 CZ ARG A 65 -10.754 -20.260 2.781 1.00 14.34 C ATOM 980 NH1 ARG A 65 -11.138 -19.024 3.088 1.00 74.43 N ATOM 981 NH2 ARG A 65 -10.814 -20.680 1.524 1.00 73.25 N ATOM 0 H ARG A 65 -8.519 -18.524 9.145 1.00 40.34 H new ATOM 0 HA ARG A 65 -6.697 -19.467 7.276 1.00 13.52 H new ATOM 0 HB2 ARG A 65 -8.866 -20.523 7.646 1.00 2.22 H new ATOM 0 HB3 ARG A 65 -9.719 -19.070 7.166 1.00 2.22 H new ATOM 0 HG2 ARG A 65 -8.625 -19.340 4.857 1.00 23.32 H new ATOM 0 HG3 ARG A 65 -8.091 -20.922 5.389 1.00 23.32 H new ATOM 0 HD2 ARG A 65 -10.403 -21.642 5.750 1.00 54.45 H new ATOM 0 HD3 ARG A 65 -11.001 -20.031 5.406 1.00 54.45 H new ATOM 0 HE ARG A 65 -9.990 -22.011 3.442 1.00 65.22 H new ATOM 0 HH11 ARG A 65 -11.087 -18.699 4.054 1.00 74.43 H new ATOM 0 HH12 ARG A 65 -11.483 -18.401 2.358 1.00 74.43 H new ATOM 0 HH21 ARG A 65 -10.515 -21.626 1.288 1.00 73.25 H new ATOM 0 HH22 ARG A 65 -11.159 -20.057 0.794 1.00 73.25 H new ATOM 995 N ILE A 66 -8.358 -16.777 6.251 1.00 5.32 N ATOM 996 CA ILE A 66 -8.408 -15.746 5.215 1.00 74.32 C ATOM 997 C ILE A 66 -7.242 -14.766 5.342 1.00 34.13 C ATOM 998 O ILE A 66 -6.737 -14.260 4.333 1.00 70.50 O ATOM 999 CB ILE A 66 -9.759 -14.984 5.215 1.00 74.43 C ATOM 1000 CG1 ILE A 66 -10.151 -14.549 6.637 1.00 1.20 C ATOM 1001 CG2 ILE A 66 -10.853 -15.851 4.595 1.00 14.24 C ATOM 1002 CD1 ILE A 66 -11.423 -13.725 6.694 1.00 42.21 C ATOM 0 H ILE A 66 -9.079 -16.691 6.967 1.00 5.32 H new ATOM 0 HA ILE A 66 -8.319 -16.262 4.259 1.00 74.32 H new ATOM 0 HB ILE A 66 -9.643 -14.083 4.613 1.00 74.43 H new ATOM 0 HG12 ILE A 66 -10.276 -15.436 7.257 1.00 1.20 H new ATOM 0 HG13 ILE A 66 -9.334 -13.970 7.068 1.00 1.20 H new ATOM 0 HG21 ILE A 66 -11.797 -15.305 4.601 1.00 14.24 H new ATOM 0 HG22 ILE A 66 -10.583 -16.098 3.568 1.00 14.24 H new ATOM 0 HG23 ILE A 66 -10.961 -16.769 5.173 1.00 14.24 H new ATOM 0 HD11 ILE A 66 -11.636 -13.455 7.728 1.00 42.21 H new ATOM 0 HD12 ILE A 66 -11.296 -12.819 6.101 1.00 42.21 H new ATOM 0 HD13 ILE A 66 -12.252 -14.308 6.293 1.00 42.21 H new ATOM 1014 N GLU A 67 -6.803 -14.512 6.573 1.00 53.30 N ATOM 1015 CA GLU A 67 -5.660 -13.634 6.801 1.00 71.01 C ATOM 1016 C GLU A 67 -4.389 -14.263 6.224 1.00 51.43 C ATOM 1017 O GLU A 67 -3.627 -13.601 5.528 1.00 55.34 O ATOM 1018 CB GLU A 67 -5.480 -13.339 8.298 1.00 61.10 C ATOM 1019 CG GLU A 67 -6.593 -12.488 8.905 1.00 14.42 C ATOM 1020 CD GLU A 67 -6.651 -11.082 8.329 1.00 33.42 C ATOM 1021 OE1 GLU A 67 -5.822 -10.235 8.722 1.00 43.23 O ATOM 1022 OE2 GLU A 67 -7.529 -10.812 7.483 1.00 24.22 O ATOM 0 H GLU A 67 -7.218 -14.899 7.421 1.00 53.30 H new ATOM 0 HA GLU A 67 -5.849 -12.689 6.293 1.00 71.01 H new ATOM 0 HB2 GLU A 67 -5.424 -14.284 8.839 1.00 61.10 H new ATOM 0 HB3 GLU A 67 -4.527 -12.830 8.445 1.00 61.10 H new ATOM 0 HG2 GLU A 67 -7.551 -12.982 8.740 1.00 14.42 H new ATOM 0 HG3 GLU A 67 -6.448 -12.427 9.984 1.00 14.42 H new ATOM 1029 N GLN A 68 -4.197 -15.558 6.474 1.00 2.11 N ATOM 1030 CA GLN A 68 -3.015 -16.287 5.988 1.00 35.25 C ATOM 1031 C GLN A 68 -3.016 -16.433 4.461 1.00 3.20 C ATOM 1032 O GLN A 68 -2.090 -17.004 3.888 1.00 2.44 O ATOM 1033 CB GLN A 68 -2.947 -17.680 6.639 1.00 75.11 C ATOM 1034 CG GLN A 68 -2.679 -17.646 8.138 1.00 72.43 C ATOM 1035 CD GLN A 68 -1.305 -17.090 8.477 1.00 64.25 C ATOM 1036 OE1 GLN A 68 -0.347 -17.253 7.716 1.00 23.20 O ATOM 1037 NE2 GLN A 68 -1.200 -16.432 9.615 1.00 13.54 N ATOM 0 H GLN A 68 -4.846 -16.131 7.013 1.00 2.11 H new ATOM 0 HA GLN A 68 -2.137 -15.704 6.268 1.00 35.25 H new ATOM 0 HB2 GLN A 68 -3.887 -18.201 6.459 1.00 75.11 H new ATOM 0 HB3 GLN A 68 -2.163 -18.260 6.152 1.00 75.11 H new ATOM 0 HG2 GLN A 68 -3.442 -17.039 8.625 1.00 72.43 H new ATOM 0 HG3 GLN A 68 -2.768 -18.655 8.542 1.00 72.43 H new ATOM 0 HE21 GLN A 68 -2.016 -16.319 10.216 1.00 13.54 H new ATOM 0 HE22 GLN A 68 -0.302 -16.036 9.894 1.00 13.54 H new ATOM 1046 N LEU A 69 -4.062 -15.937 3.812 1.00 70.13 N ATOM 1047 CA LEU A 69 -4.193 -16.032 2.355 1.00 22.31 C ATOM 1048 C LEU A 69 -3.876 -14.697 1.683 1.00 33.43 C ATOM 1049 O LEU A 69 -2.895 -14.565 0.949 1.00 63.24 O ATOM 1050 CB LEU A 69 -5.608 -16.485 1.964 1.00 23.42 C ATOM 1051 CG LEU A 69 -6.008 -17.894 2.432 1.00 43.12 C ATOM 1052 CD1 LEU A 69 -7.444 -18.215 2.018 1.00 35.21 C ATOM 1053 CD2 LEU A 69 -5.036 -18.941 1.887 1.00 42.22 C ATOM 0 H LEU A 69 -4.839 -15.461 4.271 1.00 70.13 H new ATOM 0 HA LEU A 69 -3.473 -16.774 2.010 1.00 22.31 H new ATOM 0 HB2 LEU A 69 -6.324 -15.770 2.370 1.00 23.42 H new ATOM 0 HB3 LEU A 69 -5.696 -16.444 0.878 1.00 23.42 H new ATOM 0 HG LEU A 69 -5.957 -17.919 3.521 1.00 43.12 H new ATOM 0 HD11 LEU A 69 -7.706 -19.217 2.359 1.00 35.21 H new ATOM 0 HD12 LEU A 69 -8.123 -17.490 2.467 1.00 35.21 H new ATOM 0 HD13 LEU A 69 -7.529 -18.168 0.932 1.00 35.21 H new ATOM 0 HD21 LEU A 69 -5.337 -19.931 2.230 1.00 42.22 H new ATOM 0 HD22 LEU A 69 -5.047 -18.916 0.797 1.00 42.22 H new ATOM 0 HD23 LEU A 69 -4.029 -18.724 2.245 1.00 42.22 H new ATOM 1065 N TRP A 70 -4.738 -13.715 1.943 1.00 4.00 N ATOM 1066 CA TRP A 70 -4.628 -12.391 1.334 1.00 33.32 C ATOM 1067 C TRP A 70 -3.680 -11.515 2.146 1.00 14.11 C ATOM 1068 O TRP A 70 -2.732 -10.932 1.620 1.00 5.44 O ATOM 1069 CB TRP A 70 -6.023 -11.744 1.264 1.00 44.12 C ATOM 1070 CG TRP A 70 -6.086 -10.480 0.447 1.00 4.32 C ATOM 1071 CD1 TRP A 70 -5.562 -9.258 0.767 1.00 43.22 C ATOM 1072 CD2 TRP A 70 -6.730 -10.319 -0.824 1.00 25.42 C ATOM 1073 NE1 TRP A 70 -5.832 -8.354 -0.232 1.00 41.21 N ATOM 1074 CE2 TRP A 70 -6.548 -8.980 -1.217 1.00 11.33 C ATOM 1075 CE3 TRP A 70 -7.438 -11.179 -1.669 1.00 42.41 C ATOM 1076 CZ2 TRP A 70 -7.051 -8.483 -2.418 1.00 23.42 C ATOM 1077 CZ3 TRP A 70 -7.938 -10.683 -2.859 1.00 45.11 C ATOM 1078 CH2 TRP A 70 -7.740 -9.346 -3.224 1.00 22.44 C ATOM 0 H TRP A 70 -5.529 -13.814 2.579 1.00 4.00 H new ATOM 0 HA TRP A 70 -4.226 -12.490 0.326 1.00 33.32 H new ATOM 0 HB2 TRP A 70 -6.724 -12.467 0.846 1.00 44.12 H new ATOM 0 HB3 TRP A 70 -6.358 -11.523 2.277 1.00 44.12 H new ATOM 0 HD1 TRP A 70 -5.016 -9.036 1.672 1.00 43.22 H new ATOM 0 HE1 TRP A 70 -5.545 -7.375 -0.239 1.00 41.21 H new ATOM 0 HE3 TRP A 70 -7.592 -12.213 -1.397 1.00 42.41 H new ATOM 0 HZ2 TRP A 70 -6.902 -7.452 -2.702 1.00 23.42 H new ATOM 0 HZ3 TRP A 70 -8.490 -11.337 -3.517 1.00 45.11 H new ATOM 0 HH2 TRP A 70 -8.140 -8.989 -4.162 1.00 22.44 H new ATOM 1089 N THR A 71 -3.959 -11.446 3.439 1.00 54.12 N ATOM 1090 CA THR A 71 -3.230 -10.594 4.365 1.00 14.01 C ATOM 1091 C THR A 71 -1.862 -11.186 4.717 1.00 15.51 C ATOM 1092 O THR A 71 -1.033 -10.516 5.334 1.00 20.13 O ATOM 1093 CB THR A 71 -4.060 -10.385 5.655 1.00 13.44 C ATOM 1094 OG1 THR A 71 -5.413 -10.049 5.305 1.00 21.02 O ATOM 1095 CG2 THR A 71 -3.471 -9.278 6.525 1.00 55.35 C ATOM 0 H THR A 71 -4.705 -11.985 3.879 1.00 54.12 H new ATOM 0 HA THR A 71 -3.065 -9.634 3.876 1.00 14.01 H new ATOM 0 HB THR A 71 -4.038 -11.313 6.226 1.00 13.44 H new ATOM 0 HG1 THR A 71 -5.850 -9.615 6.067 1.00 21.02 H new ATOM 0 HG21 THR A 71 -4.078 -9.158 7.422 1.00 55.35 H new ATOM 0 HG22 THR A 71 -2.452 -9.542 6.809 1.00 55.35 H new ATOM 0 HG23 THR A 71 -3.461 -8.342 5.966 1.00 55.35 H new ATOM 1103 N ASP A 72 -1.649 -12.451 4.329 1.00 23.54 N ATOM 1104 CA ASP A 72 -0.445 -13.210 4.700 1.00 73.31 C ATOM 1105 C ASP A 72 0.823 -12.361 4.570 1.00 64.32 C ATOM 1106 O ASP A 72 1.808 -12.577 5.287 1.00 42.51 O ATOM 1107 CB ASP A 72 -0.287 -14.470 3.835 1.00 14.44 C ATOM 1108 CG ASP A 72 0.520 -14.238 2.562 1.00 72.24 C ATOM 1109 OD1 ASP A 72 0.079 -13.455 1.708 1.00 35.04 O ATOM 1110 OD2 ASP A 72 1.617 -14.840 2.424 1.00 33.45 O ATOM 0 H ASP A 72 -2.304 -12.977 3.750 1.00 23.54 H new ATOM 0 HA ASP A 72 -0.575 -13.500 5.743 1.00 73.31 H new ATOM 0 HB2 ASP A 72 0.197 -15.248 4.426 1.00 14.44 H new ATOM 0 HB3 ASP A 72 -1.275 -14.842 3.566 1.00 14.44 H new ATOM 1115 N MET A 73 0.796 -11.426 3.619 1.00 3.33 N ATOM 1116 CA MET A 73 1.893 -10.495 3.402 1.00 42.30 C ATOM 1117 C MET A 73 2.091 -9.618 4.638 1.00 21.21 C ATOM 1118 O MET A 73 1.581 -8.498 4.722 1.00 61.04 O ATOM 1119 CB MET A 73 1.627 -9.631 2.159 1.00 75.02 C ATOM 1120 CG MET A 73 2.763 -8.675 1.816 1.00 60.21 C ATOM 1121 SD MET A 73 2.419 -7.681 0.350 1.00 34.12 S ATOM 1122 CE MET A 73 0.978 -6.759 0.891 1.00 71.41 C ATOM 0 H MET A 73 0.011 -11.297 2.980 1.00 3.33 H new ATOM 0 HA MET A 73 2.807 -11.064 3.231 1.00 42.30 H new ATOM 0 HB2 MET A 73 1.446 -10.285 1.306 1.00 75.02 H new ATOM 0 HB3 MET A 73 0.716 -9.054 2.318 1.00 75.02 H new ATOM 0 HG2 MET A 73 2.944 -8.014 2.664 1.00 60.21 H new ATOM 0 HG3 MET A 73 3.677 -9.246 1.656 1.00 60.21 H new ATOM 0 HE1 MET A 73 0.848 -5.882 0.257 1.00 71.41 H new ATOM 0 HE2 MET A 73 0.093 -7.392 0.821 1.00 71.41 H new ATOM 0 HE3 MET A 73 1.116 -6.442 1.925 1.00 71.41 H new ATOM 1132 N VAL A 74 2.823 -10.159 5.599 1.00 33.41 N ATOM 1133 CA VAL A 74 3.094 -9.473 6.855 1.00 45.22 C ATOM 1134 C VAL A 74 4.108 -8.339 6.635 1.00 1.21 C ATOM 1135 O VAL A 74 5.119 -8.533 5.954 1.00 54.40 O ATOM 1136 CB VAL A 74 3.614 -10.482 7.923 1.00 10.10 C ATOM 1137 CG1 VAL A 74 4.716 -11.372 7.351 1.00 23.42 C ATOM 1138 CG2 VAL A 74 4.099 -9.768 9.181 1.00 71.12 C ATOM 0 H VAL A 74 3.246 -11.085 5.532 1.00 33.41 H new ATOM 0 HA VAL A 74 2.166 -9.035 7.223 1.00 45.22 H new ATOM 0 HB VAL A 74 2.773 -11.117 8.203 1.00 10.10 H new ATOM 0 HG11 VAL A 74 5.059 -12.065 8.119 1.00 23.42 H new ATOM 0 HG12 VAL A 74 4.326 -11.934 6.503 1.00 23.42 H new ATOM 0 HG13 VAL A 74 5.551 -10.752 7.023 1.00 23.42 H new ATOM 0 HG21 VAL A 74 4.454 -10.504 9.903 1.00 71.12 H new ATOM 0 HG22 VAL A 74 4.913 -9.090 8.924 1.00 71.12 H new ATOM 0 HG23 VAL A 74 3.277 -9.200 9.617 1.00 71.12 H new ATOM 1148 N PRO A 75 3.837 -7.132 7.192 1.00 55.42 N ATOM 1149 CA PRO A 75 4.677 -5.945 6.976 1.00 60.35 C ATOM 1150 C PRO A 75 6.031 -6.044 7.687 1.00 72.13 C ATOM 1151 O PRO A 75 6.527 -7.140 7.950 1.00 1.32 O ATOM 1152 CB PRO A 75 3.841 -4.782 7.558 1.00 71.04 C ATOM 1153 CG PRO A 75 2.506 -5.357 7.913 1.00 45.31 C ATOM 1154 CD PRO A 75 2.708 -6.834 8.090 1.00 22.00 C ATOM 0 HA PRO A 75 4.921 -5.817 5.921 1.00 60.35 H new ATOM 0 HB2 PRO A 75 4.326 -4.356 8.436 1.00 71.04 H new ATOM 0 HB3 PRO A 75 3.736 -3.977 6.830 1.00 71.04 H new ATOM 0 HG2 PRO A 75 2.121 -4.906 8.828 1.00 45.31 H new ATOM 0 HG3 PRO A 75 1.777 -5.157 7.128 1.00 45.31 H new ATOM 0 HD2 PRO A 75 2.939 -7.087 9.125 1.00 22.00 H new ATOM 0 HD3 PRO A 75 1.816 -7.398 7.816 1.00 22.00 H new ATOM 1162 N ALA A 76 6.618 -4.886 8.007 1.00 51.25 N ATOM 1163 CA ALA A 76 7.933 -4.816 8.647 1.00 24.45 C ATOM 1164 C ALA A 76 7.977 -5.614 9.953 1.00 43.13 C ATOM 1165 O ALA A 76 9.056 -5.980 10.433 1.00 43.44 O ATOM 1166 CB ALA A 76 8.306 -3.361 8.909 1.00 60.32 C ATOM 0 H ALA A 76 6.196 -3.975 7.830 1.00 51.25 H new ATOM 0 HA ALA A 76 8.657 -5.263 7.966 1.00 24.45 H new ATOM 0 HB1 ALA A 76 9.285 -3.317 9.385 1.00 60.32 H new ATOM 0 HB2 ALA A 76 8.337 -2.818 7.965 1.00 60.32 H new ATOM 0 HB3 ALA A 76 7.563 -2.907 9.565 1.00 60.32 H new ATOM 1172 N SER A 77 6.805 -5.881 10.522 1.00 71.53 N ATOM 1173 CA SER A 77 6.701 -6.638 11.765 1.00 24.45 C ATOM 1174 C SER A 77 7.355 -8.017 11.622 1.00 52.41 C ATOM 1175 O SER A 77 7.846 -8.588 12.597 1.00 1.13 O ATOM 1176 CB SER A 77 5.226 -6.776 12.164 1.00 43.23 C ATOM 1177 OG SER A 77 4.491 -7.483 11.180 1.00 75.44 O ATOM 0 H SER A 77 5.908 -5.582 10.139 1.00 71.53 H new ATOM 0 HA SER A 77 7.232 -6.099 12.550 1.00 24.45 H new ATOM 0 HB2 SER A 77 5.152 -7.296 13.119 1.00 43.23 H new ATOM 0 HB3 SER A 77 4.791 -5.787 12.305 1.00 43.23 H new ATOM 0 HG SER A 77 4.382 -8.416 11.460 1.00 75.44 H new ATOM 1183 N VAL A 78 7.384 -8.526 10.389 1.00 50.43 N ATOM 1184 CA VAL A 78 7.987 -9.826 10.095 1.00 1.34 C ATOM 1185 C VAL A 78 9.427 -9.896 10.616 1.00 72.15 C ATOM 1186 O VAL A 78 9.876 -10.938 11.098 1.00 61.33 O ATOM 1187 CB VAL A 78 7.979 -10.130 8.569 1.00 12.41 C ATOM 1188 CG1 VAL A 78 8.855 -9.137 7.801 1.00 13.13 C ATOM 1189 CG2 VAL A 78 8.422 -11.568 8.294 1.00 22.14 C ATOM 0 H VAL A 78 6.994 -8.054 9.574 1.00 50.43 H new ATOM 0 HA VAL A 78 7.382 -10.576 10.605 1.00 1.34 H new ATOM 0 HB VAL A 78 6.954 -10.016 8.215 1.00 12.41 H new ATOM 0 HG11 VAL A 78 8.829 -9.375 6.738 1.00 13.13 H new ATOM 0 HG12 VAL A 78 8.479 -8.125 7.955 1.00 13.13 H new ATOM 0 HG13 VAL A 78 9.881 -9.202 8.162 1.00 13.13 H new ATOM 0 HG21 VAL A 78 8.407 -11.754 7.220 1.00 22.14 H new ATOM 0 HG22 VAL A 78 9.433 -11.716 8.674 1.00 22.14 H new ATOM 0 HG23 VAL A 78 7.742 -12.260 8.791 1.00 22.14 H new ATOM 1199 N ARG A 79 10.141 -8.772 10.537 1.00 61.45 N ATOM 1200 CA ARG A 79 11.537 -8.709 10.971 1.00 14.22 C ATOM 1201 C ARG A 79 11.642 -8.866 12.485 1.00 51.30 C ATOM 1202 O ARG A 79 12.656 -9.339 12.995 1.00 43.03 O ATOM 1203 CB ARG A 79 12.188 -7.394 10.506 1.00 63.44 C ATOM 1204 CG ARG A 79 12.531 -7.381 9.017 1.00 63.40 C ATOM 1205 CD ARG A 79 13.661 -8.358 8.697 1.00 74.44 C ATOM 1206 NE ARG A 79 13.896 -8.501 7.257 1.00 53.13 N ATOM 1207 CZ ARG A 79 14.889 -7.905 6.590 1.00 42.11 C ATOM 1208 NH1 ARG A 79 15.671 -7.014 7.193 1.00 73.33 N ATOM 1209 NH2 ARG A 79 15.080 -8.187 5.309 1.00 64.44 N ATOM 0 H ARG A 79 9.774 -7.891 10.176 1.00 61.45 H new ATOM 0 HA ARG A 79 12.077 -9.537 10.511 1.00 14.22 H new ATOM 0 HB2 ARG A 79 11.513 -6.566 10.723 1.00 63.44 H new ATOM 0 HB3 ARG A 79 13.097 -7.223 11.082 1.00 63.44 H new ATOM 0 HG2 ARG A 79 11.647 -7.642 8.436 1.00 63.40 H new ATOM 0 HG3 ARG A 79 12.823 -6.374 8.718 1.00 63.40 H new ATOM 0 HD2 ARG A 79 14.578 -8.017 9.178 1.00 74.44 H new ATOM 0 HD3 ARG A 79 13.423 -9.334 9.121 1.00 74.44 H new ATOM 0 HE ARG A 79 13.258 -9.096 6.728 1.00 53.13 H new ATOM 0 HH11 ARG A 79 15.516 -6.780 8.174 1.00 73.33 H new ATOM 0 HH12 ARG A 79 16.426 -6.565 6.675 1.00 73.33 H new ATOM 0 HH21 ARG A 79 14.471 -8.856 4.838 1.00 64.44 H new ATOM 0 HH22 ARG A 79 15.836 -7.735 4.795 1.00 64.44 H new ATOM 1223 N GLU A 80 10.581 -8.492 13.191 1.00 45.44 N ATOM 1224 CA GLU A 80 10.516 -8.664 14.640 1.00 22.12 C ATOM 1225 C GLU A 80 10.452 -10.151 14.971 1.00 4.33 C ATOM 1226 O GLU A 80 11.144 -10.641 15.866 1.00 13.03 O ATOM 1227 CB GLU A 80 9.285 -7.948 15.206 1.00 62.53 C ATOM 1228 CG GLU A 80 9.159 -8.033 16.724 1.00 73.11 C ATOM 1229 CD GLU A 80 7.823 -7.515 17.236 1.00 33.40 C ATOM 1230 OE1 GLU A 80 7.492 -6.343 16.959 1.00 33.42 O ATOM 1231 OE2 GLU A 80 7.102 -8.273 17.928 1.00 51.44 O ATOM 0 H GLU A 80 9.750 -8.066 12.782 1.00 45.44 H new ATOM 0 HA GLU A 80 11.408 -8.229 15.092 1.00 22.12 H new ATOM 0 HB2 GLU A 80 9.322 -6.899 14.913 1.00 62.53 H new ATOM 0 HB3 GLU A 80 8.390 -8.374 14.753 1.00 62.53 H new ATOM 0 HG2 GLU A 80 9.285 -9.069 17.037 1.00 73.11 H new ATOM 0 HG3 GLU A 80 9.965 -7.461 17.183 1.00 73.11 H new ATOM 1238 N HIS A 81 9.619 -10.865 14.223 1.00 54.53 N ATOM 1239 CA HIS A 81 9.431 -12.295 14.422 1.00 0.23 C ATOM 1240 C HIS A 81 10.674 -13.058 13.969 1.00 2.25 C ATOM 1241 O HIS A 81 11.059 -14.053 14.586 1.00 34.22 O ATOM 1242 CB HIS A 81 8.194 -12.768 13.652 1.00 32.20 C ATOM 1243 CG HIS A 81 7.709 -14.142 14.020 1.00 2.42 C ATOM 1244 ND1 HIS A 81 6.581 -14.703 13.468 1.00 13.53 N ATOM 1245 CD2 HIS A 81 8.193 -15.061 14.890 1.00 0.35 C ATOM 1246 CE1 HIS A 81 6.392 -15.903 13.981 1.00 43.44 C ATOM 1247 NE2 HIS A 81 7.355 -16.147 14.848 1.00 2.53 N ATOM 0 H HIS A 81 9.059 -10.471 13.467 1.00 54.53 H new ATOM 0 HA HIS A 81 9.277 -12.492 15.483 1.00 0.23 H new ATOM 0 HB2 HIS A 81 7.386 -12.056 13.819 1.00 32.20 H new ATOM 0 HB3 HIS A 81 8.419 -12.751 12.586 1.00 32.20 H new ATOM 0 HD1 HIS A 81 5.984 -14.260 12.770 1.00 13.53 H new ATOM 0 HD2 HIS A 81 9.076 -14.958 15.504 1.00 0.35 H new ATOM 0 HE1 HIS A 81 5.583 -16.574 13.732 1.00 43.44 H new ATOM 1256 N LEU A 82 11.296 -12.582 12.889 1.00 52.02 N ATOM 1257 CA LEU A 82 12.530 -13.179 12.376 1.00 15.11 C ATOM 1258 C LEU A 82 13.694 -12.898 13.324 1.00 65.10 C ATOM 1259 O LEU A 82 14.691 -13.624 13.335 1.00 73.43 O ATOM 1260 CB LEU A 82 12.858 -12.641 10.972 1.00 12.10 C ATOM 1261 CG LEU A 82 11.850 -13.003 9.868 1.00 72.24 C ATOM 1262 CD1 LEU A 82 12.244 -12.349 8.543 1.00 41.43 C ATOM 1263 CD2 LEU A 82 11.745 -14.519 9.709 1.00 53.35 C ATOM 0 H LEU A 82 10.964 -11.782 12.351 1.00 52.02 H new ATOM 0 HA LEU A 82 12.379 -14.256 12.309 1.00 15.11 H new ATOM 0 HB2 LEU A 82 12.934 -11.555 11.027 1.00 12.10 H new ATOM 0 HB3 LEU A 82 13.839 -13.015 10.680 1.00 12.10 H new ATOM 0 HG LEU A 82 10.872 -12.622 10.161 1.00 72.24 H new ATOM 0 HD11 LEU A 82 11.519 -12.617 7.775 1.00 41.43 H new ATOM 0 HD12 LEU A 82 12.262 -11.266 8.663 1.00 41.43 H new ATOM 0 HD13 LEU A 82 13.233 -12.697 8.245 1.00 41.43 H new ATOM 0 HD21 LEU A 82 11.027 -14.754 8.923 1.00 53.35 H new ATOM 0 HD22 LEU A 82 12.721 -14.925 9.442 1.00 53.35 H new ATOM 0 HD23 LEU A 82 11.412 -14.961 10.648 1.00 53.35 H new ATOM 1275 N ASN A 83 13.562 -11.833 14.111 1.00 23.21 N ATOM 1276 CA ASN A 83 14.583 -11.462 15.085 1.00 34.30 C ATOM 1277 C ASN A 83 14.556 -12.433 16.263 1.00 64.54 C ATOM 1278 O ASN A 83 13.911 -12.180 17.286 1.00 24.35 O ATOM 1279 CB ASN A 83 14.373 -10.016 15.569 1.00 5.33 C ATOM 1280 CG ASN A 83 15.426 -9.566 16.573 1.00 13.22 C ATOM 1281 OD1 ASN A 83 16.476 -9.042 16.201 1.00 20.11 O ATOM 1282 ND2 ASN A 83 15.149 -9.761 17.851 1.00 42.20 N ATOM 0 H ASN A 83 12.754 -11.210 14.092 1.00 23.21 H new ATOM 0 HA ASN A 83 15.561 -11.518 14.606 1.00 34.30 H new ATOM 0 HB2 ASN A 83 14.388 -9.345 14.710 1.00 5.33 H new ATOM 0 HB3 ASN A 83 13.386 -9.930 16.023 1.00 5.33 H new ATOM 0 HD21 ASN A 83 15.816 -9.474 18.567 1.00 42.20 H new ATOM 0 HD22 ASN A 83 14.268 -10.199 18.121 1.00 42.20 H new ATOM 1289 N GLN A 84 15.220 -13.569 16.095 1.00 54.12 N ATOM 1290 CA GLN A 84 15.273 -14.591 17.131 1.00 32.44 C ATOM 1291 C GLN A 84 16.513 -14.399 17.995 1.00 35.52 C ATOM 1292 O GLN A 84 17.527 -15.076 17.818 1.00 62.41 O ATOM 1293 CB GLN A 84 15.257 -15.994 16.507 1.00 74.55 C ATOM 1294 CG GLN A 84 15.222 -17.128 17.531 1.00 74.02 C ATOM 1295 CD GLN A 84 15.237 -18.508 16.892 1.00 54.40 C ATOM 1296 OE1 GLN A 84 14.744 -18.700 15.780 1.00 71.43 O ATOM 1297 NE2 GLN A 84 15.794 -19.482 17.596 1.00 3.04 N ATOM 0 H GLN A 84 15.732 -13.806 15.245 1.00 54.12 H new ATOM 0 HA GLN A 84 14.391 -14.492 17.764 1.00 32.44 H new ATOM 0 HB2 GLN A 84 14.388 -16.080 15.854 1.00 74.55 H new ATOM 0 HB3 GLN A 84 16.140 -16.112 15.879 1.00 74.55 H new ATOM 0 HG2 GLN A 84 16.079 -17.034 18.198 1.00 74.02 H new ATOM 0 HG3 GLN A 84 14.327 -17.028 18.145 1.00 74.02 H new ATOM 0 HE21 GLN A 84 16.192 -19.284 18.514 1.00 3.04 H new ATOM 0 HE22 GLN A 84 15.825 -20.430 17.220 1.00 3.04 H new ATOM 1306 N HIS A 85 16.442 -13.441 18.906 1.00 50.13 N ATOM 1307 CA HIS A 85 17.530 -13.185 19.845 1.00 23.14 C ATOM 1308 C HIS A 85 17.158 -13.728 21.219 1.00 22.41 C ATOM 1309 O HIS A 85 16.621 -13.001 22.056 1.00 2.45 O ATOM 1310 CB HIS A 85 17.842 -11.683 19.932 1.00 52.30 C ATOM 1311 CG HIS A 85 18.442 -11.098 18.687 1.00 34.32 C ATOM 1312 ND1 HIS A 85 19.084 -9.879 18.667 1.00 73.50 N ATOM 1313 CD2 HIS A 85 18.491 -11.563 17.415 1.00 52.32 C ATOM 1314 CE1 HIS A 85 19.497 -9.619 17.440 1.00 52.11 C ATOM 1315 NE2 HIS A 85 19.148 -10.624 16.662 1.00 52.35 N ATOM 0 H HIS A 85 15.638 -12.823 19.017 1.00 50.13 H new ATOM 0 HA HIS A 85 18.425 -13.693 19.486 1.00 23.14 H new ATOM 0 HB2 HIS A 85 16.922 -11.147 20.163 1.00 52.30 H new ATOM 0 HB3 HIS A 85 18.526 -11.515 20.763 1.00 52.30 H new ATOM 0 HD2 HIS A 85 18.087 -12.500 17.060 1.00 52.32 H new ATOM 0 HE1 HIS A 85 20.030 -8.733 17.127 1.00 52.11 H new ATOM 0 HE2 HIS A 85 19.336 -10.692 15.662 1.00 52.35 H new ATOM 1324 N SER A 86 17.400 -15.027 21.421 1.00 2.41 N ATOM 1325 CA SER A 86 17.005 -15.723 22.653 1.00 53.33 C ATOM 1326 C SER A 86 15.478 -15.716 22.817 1.00 3.22 C ATOM 1327 O SER A 86 14.947 -16.114 23.855 1.00 51.12 O ATOM 1328 CB SER A 86 17.686 -15.079 23.873 1.00 53.13 C ATOM 1329 OG SER A 86 19.104 -15.116 23.748 1.00 2.23 O ATOM 0 H SER A 86 17.872 -15.624 20.741 1.00 2.41 H new ATOM 0 HA SER A 86 17.332 -16.760 22.582 1.00 53.33 H new ATOM 0 HB2 SER A 86 17.354 -14.046 23.975 1.00 53.13 H new ATOM 0 HB3 SER A 86 17.384 -15.602 24.780 1.00 53.13 H new ATOM 0 HG SER A 86 19.513 -14.699 24.535 1.00 2.23 H new ATOM 1335 N GLY A 87 14.791 -15.281 21.764 1.00 74.42 N ATOM 1336 CA GLY A 87 13.346 -15.176 21.771 1.00 31.33 C ATOM 1337 C GLY A 87 12.861 -14.512 20.498 1.00 32.32 C ATOM 1338 O GLY A 87 13.565 -13.662 19.949 1.00 53.13 O ATOM 0 H GLY A 87 15.225 -14.994 20.887 1.00 74.42 H new ATOM 0 HA2 GLY A 87 12.903 -16.168 21.864 1.00 31.33 H new ATOM 0 HA3 GLY A 87 13.021 -14.599 22.637 1.00 31.33 H new ATOM 1342 N PRO A 88 11.687 -14.901 19.977 1.00 70.20 N ATOM 1343 CA PRO A 88 11.151 -14.353 18.735 1.00 73.53 C ATOM 1344 C PRO A 88 10.183 -13.192 18.972 1.00 3.41 C ATOM 1345 O PRO A 88 9.702 -12.983 20.093 1.00 45.03 O ATOM 1346 CB PRO A 88 10.408 -15.563 18.171 1.00 5.34 C ATOM 1347 CG PRO A 88 9.839 -16.238 19.383 1.00 11.52 C ATOM 1348 CD PRO A 88 10.778 -15.926 20.536 1.00 42.10 C ATOM 0 HA PRO A 88 11.919 -13.935 18.084 1.00 73.53 H new ATOM 0 HB2 PRO A 88 9.623 -15.261 17.477 1.00 5.34 H new ATOM 0 HB3 PRO A 88 11.080 -16.225 17.624 1.00 5.34 H new ATOM 0 HG2 PRO A 88 8.833 -15.873 19.593 1.00 11.52 H new ATOM 0 HG3 PRO A 88 9.762 -17.314 19.227 1.00 11.52 H new ATOM 0 HD2 PRO A 88 10.236 -15.551 21.404 1.00 42.10 H new ATOM 0 HD3 PRO A 88 11.324 -16.812 20.860 1.00 42.10 H new ATOM 1356 N GLY A 89 9.911 -12.435 17.915 1.00 45.11 N ATOM 1357 CA GLY A 89 8.879 -11.417 17.970 1.00 73.43 C ATOM 1358 C GLY A 89 7.503 -12.020 17.777 1.00 22.31 C ATOM 1359 O GLY A 89 7.385 -13.187 17.386 1.00 11.13 O ATOM 0 H GLY A 89 10.389 -12.509 17.017 1.00 45.11 H new ATOM 0 HA2 GLY A 89 8.922 -10.903 18.930 1.00 73.43 H new ATOM 0 HA3 GLY A 89 9.062 -10.668 17.199 1.00 73.43 H new ATOM 1363 N ILE A 90 6.463 -11.235 18.026 1.00 5.14 N ATOM 1364 CA ILE A 90 5.092 -11.737 17.982 1.00 21.42 C ATOM 1365 C ILE A 90 4.242 -10.950 16.981 1.00 23.35 C ATOM 1366 O ILE A 90 3.831 -9.817 17.246 1.00 33.33 O ATOM 1367 CB ILE A 90 4.440 -11.699 19.394 1.00 44.04 C ATOM 1368 CG1 ILE A 90 4.674 -10.329 20.066 1.00 14.02 C ATOM 1369 CG2 ILE A 90 4.985 -12.834 20.266 1.00 43.22 C ATOM 1370 CD1 ILE A 90 4.131 -10.234 21.480 1.00 22.10 C ATOM 0 H ILE A 90 6.541 -10.246 18.261 1.00 5.14 H new ATOM 0 HA ILE A 90 5.134 -12.774 17.648 1.00 21.42 H new ATOM 0 HB ILE A 90 3.365 -11.840 19.281 1.00 44.04 H new ATOM 0 HG12 ILE A 90 5.744 -10.123 20.084 1.00 14.02 H new ATOM 0 HG13 ILE A 90 4.210 -9.553 19.457 1.00 14.02 H new ATOM 0 HG21 ILE A 90 4.518 -12.793 21.250 1.00 43.22 H new ATOM 0 HG22 ILE A 90 4.761 -13.792 19.798 1.00 43.22 H new ATOM 0 HG23 ILE A 90 6.064 -12.726 20.371 1.00 43.22 H new ATOM 0 HD11 ILE A 90 4.335 -9.242 21.882 1.00 22.10 H new ATOM 0 HD12 ILE A 90 3.055 -10.407 21.469 1.00 22.10 H new ATOM 0 HD13 ILE A 90 4.613 -10.985 22.106 1.00 22.10 H new ATOM 1382 N ASP A 91 4.000 -11.554 15.820 1.00 1.23 N ATOM 1383 CA ASP A 91 3.179 -10.929 14.783 1.00 74.51 C ATOM 1384 C ASP A 91 1.717 -10.871 15.209 1.00 2.04 C ATOM 1385 O ASP A 91 1.143 -11.874 15.631 1.00 62.54 O ATOM 1386 CB ASP A 91 3.276 -11.683 13.445 1.00 44.12 C ATOM 1387 CG ASP A 91 4.595 -11.469 12.721 1.00 15.41 C ATOM 1388 OD1 ASP A 91 4.888 -10.312 12.347 1.00 24.45 O ATOM 1389 OD2 ASP A 91 5.331 -12.461 12.516 1.00 43.31 O ATOM 0 H ASP A 91 4.360 -12.476 15.573 1.00 1.23 H new ATOM 0 HA ASP A 91 3.564 -9.919 14.646 1.00 74.51 H new ATOM 0 HB2 ASP A 91 3.140 -12.749 13.627 1.00 44.12 H new ATOM 0 HB3 ASP A 91 2.459 -11.364 12.797 1.00 44.12 H new ATOM 1394 N TYR A 92 1.131 -9.686 15.114 1.00 33.23 N ATOM 1395 CA TYR A 92 -0.308 -9.511 15.289 1.00 55.10 C ATOM 1396 C TYR A 92 -0.875 -8.759 14.088 1.00 54.42 C ATOM 1397 O TYR A 92 -2.004 -8.269 14.114 1.00 72.11 O ATOM 1398 CB TYR A 92 -0.613 -8.767 16.599 1.00 14.33 C ATOM 1399 CG TYR A 92 -0.214 -9.547 17.841 1.00 5.32 C ATOM 1400 CD1 TYR A 92 -0.721 -10.823 18.071 1.00 74.10 C ATOM 1401 CD2 TYR A 92 0.670 -9.018 18.775 1.00 64.52 C ATOM 1402 CE1 TYR A 92 -0.359 -11.548 19.189 1.00 61.43 C ATOM 1403 CE2 TYR A 92 1.038 -9.738 19.896 1.00 43.34 C ATOM 1404 CZ TYR A 92 0.520 -11.003 20.100 1.00 34.30 C ATOM 1405 OH TYR A 92 0.889 -11.727 21.215 1.00 4.12 O ATOM 0 H TYR A 92 1.634 -8.822 14.915 1.00 33.23 H new ATOM 0 HA TYR A 92 -0.783 -10.490 15.351 1.00 55.10 H new ATOM 0 HB2 TYR A 92 -0.090 -7.811 16.596 1.00 14.33 H new ATOM 0 HB3 TYR A 92 -1.680 -8.547 16.644 1.00 14.33 H new ATOM 0 HD1 TYR A 92 -1.411 -11.254 17.361 1.00 74.10 H new ATOM 0 HD2 TYR A 92 1.076 -8.029 18.622 1.00 64.52 H new ATOM 0 HE1 TYR A 92 -0.763 -12.537 19.349 1.00 61.43 H new ATOM 0 HE2 TYR A 92 1.728 -9.313 20.610 1.00 43.34 H new ATOM 0 HH TYR A 92 0.865 -12.684 21.006 1.00 4.12 H new ATOM 1415 N ALA A 93 -0.065 -8.686 13.030 1.00 11.13 N ATOM 1416 CA ALA A 93 -0.464 -8.040 11.784 1.00 53.10 C ATOM 1417 C ALA A 93 -1.456 -8.876 11.054 1.00 2.23 C ATOM 1418 O ALA A 93 -2.586 -8.492 10.746 1.00 73.52 O ATOM 1419 CB ALA A 93 0.749 -7.787 10.900 1.00 75.12 C ATOM 0 H ALA A 93 0.879 -9.071 13.015 1.00 11.13 H new ATOM 0 HA ALA A 93 -0.925 -7.084 12.032 1.00 53.10 H new ATOM 0 HB1 ALA A 93 0.431 -7.305 9.976 1.00 75.12 H new ATOM 0 HB2 ALA A 93 1.452 -7.140 11.424 1.00 75.12 H new ATOM 0 HB3 ALA A 93 1.233 -8.735 10.667 1.00 75.12 H new ATOM 1425 N VAL A 94 -0.959 -10.009 10.811 1.00 65.13 N ATOM 1426 CA VAL A 94 -1.659 -11.097 10.153 1.00 73.34 C ATOM 1427 C VAL A 94 -2.010 -12.167 11.179 1.00 64.21 C ATOM 1428 O VAL A 94 -1.204 -12.496 12.048 1.00 24.50 O ATOM 1429 CB VAL A 94 -0.825 -11.715 8.996 1.00 52.51 C ATOM 1430 CG1 VAL A 94 0.513 -12.259 9.497 1.00 75.41 C ATOM 1431 CG2 VAL A 94 -1.621 -12.804 8.276 1.00 41.25 C ATOM 0 H VAL A 94 -0.001 -10.250 11.066 1.00 65.13 H new ATOM 0 HA VAL A 94 -2.570 -10.692 9.711 1.00 73.34 H new ATOM 0 HB VAL A 94 -0.609 -10.920 8.283 1.00 52.51 H new ATOM 0 HG11 VAL A 94 1.069 -12.683 8.661 1.00 75.41 H new ATOM 0 HG12 VAL A 94 1.091 -11.450 9.944 1.00 75.41 H new ATOM 0 HG13 VAL A 94 0.335 -13.032 10.244 1.00 75.41 H new ATOM 0 HG21 VAL A 94 -1.018 -13.223 7.470 1.00 41.25 H new ATOM 0 HG22 VAL A 94 -1.880 -13.592 8.983 1.00 41.25 H new ATOM 0 HG23 VAL A 94 -2.533 -12.374 7.861 1.00 41.25 H new ATOM 1441 N ARG A 95 -3.230 -12.660 11.092 1.00 64.15 N ATOM 1442 CA ARG A 95 -3.727 -13.683 12.009 1.00 53.51 C ATOM 1443 C ARG A 95 -3.491 -15.067 11.414 1.00 63.34 C ATOM 1444 O ARG A 95 -2.691 -15.839 11.979 1.00 22.32 O ATOM 1445 CB ARG A 95 -5.227 -13.479 12.306 1.00 22.34 C ATOM 1446 CG ARG A 95 -5.560 -12.154 12.996 1.00 23.40 C ATOM 1447 CD ARG A 95 -5.416 -10.964 12.052 1.00 44.34 C ATOM 1448 NE ARG A 95 -5.583 -9.686 12.741 1.00 74.54 N ATOM 1449 CZ ARG A 95 -5.647 -8.509 12.127 1.00 11.51 C ATOM 1450 NH1 ARG A 95 -5.625 -8.439 10.800 1.00 11.43 N ATOM 1451 NH2 ARG A 95 -5.745 -7.399 12.849 1.00 42.22 N ATOM 1452 OXT ARG A 95 -4.080 -15.359 10.358 1.00 0.00 O ATOM 0 H ARG A 95 -3.908 -12.368 10.388 1.00 64.15 H new ATOM 0 HA ARG A 95 -3.183 -13.597 12.950 1.00 53.51 H new ATOM 0 HB2 ARG A 95 -5.782 -13.536 11.369 1.00 22.34 H new ATOM 0 HB3 ARG A 95 -5.576 -14.299 12.934 1.00 22.34 H new ATOM 0 HG2 ARG A 95 -6.580 -12.191 13.379 1.00 23.40 H new ATOM 0 HG3 ARG A 95 -4.902 -12.017 13.854 1.00 23.40 H new ATOM 0 HD2 ARG A 95 -4.434 -10.994 11.580 1.00 44.34 H new ATOM 0 HD3 ARG A 95 -6.155 -11.044 11.255 1.00 44.34 H new ATOM 0 HE ARG A 95 -5.655 -9.698 13.758 1.00 74.54 H new ATOM 0 HH11 ARG A 95 -5.559 -9.292 10.245 1.00 11.43 H new ATOM 0 HH12 ARG A 95 -5.675 -7.532 10.336 1.00 11.43 H new ATOM 0 HH21 ARG A 95 -5.771 -7.454 13.867 1.00 42.22 H new ATOM 0 HH22 ARG A 95 -5.795 -6.492 12.385 1.00 42.22 H new TER 1466 ARG A 95