USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1045 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 122 MET CE :methyl -121:sc= -0.0355 (180deg=-0.429) USER MOD Set 1.2: A 126 GLN : amide:sc= 0.689 K(o=0.65,f=-5.9!) USER MOD Set 2.1: A 113 THR OG1 : rot -69:sc= 0.895 USER MOD Set 2.2: A 114 HIS : no HD1:sc= 0 X(o=0.9,f=0.88) USER MOD Set 3.1: A 93 THR OG1 : rot -84:sc=-0.00311 USER MOD Set 3.2: A 95 MET CE :methyl -171:sc= -0.0188 (180deg=0) USER MOD Set 4.1: A 84 LYS NZ :NH3+ 144:sc= 1.25 (180deg=0.27) USER MOD Set 4.2: A 86 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 74 TYR OH : rot 30:sc= 0.688 USER MOD Set 5.2: A 108 TYR OH : rot 177:sc= 0.792 USER MOD Single : A 1 ILE N :NH3+ -170:sc= -0.0023 (180deg=-0.0775) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.022) USER MOD Single : A 7 SER OG : rot 9:sc= 0.93 USER MOD Single : A 16 ASN :FLIP amide:sc= -1.1 F(o=-1.8,f=-1.1) USER MOD Single : A 20 THR OG1 : rot -160:sc= -0.244 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 171:sc= -0.233 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0.0487 USER MOD Single : A 48 GLN : amide:sc= -0.0789 X(o=-0.079,f=-0.038) USER MOD Single : A 53 THR OG1 : rot 33:sc= 0.168 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 57 SER OG : rot 180:sc= 0.17 USER MOD Single : A 58 THR OG1 : rot 58:sc= 0.246 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -36:sc= 0.0701 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 64 HIS : no HE2:sc= -3.63! C(o=-3.6!,f=-8.1!) USER MOD Single : A 66 SER OG : rot 59:sc= 0.0801 USER MOD Single : A 69 SER OG : rot 116:sc= 0.557 USER MOD Single : A 72 ASN :FLIP amide:sc= -0.0383 F(o=-1.1,f=-0.038) USER MOD Single : A 75 MET CE :methyl 151:sc= -0.533 (180deg=-2.05!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 114:sc= 1.1 USER MOD Single : A 81 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00131) USER MOD Single : A 89 THR OG1 : rot 180:sc=0.000178 USER MOD Single : A 98 MET CE :methyl -177:sc= 0 (180deg=-0.00518) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 110 ASN : amide:sc= 0.279 X(o=0.28,f=0) USER MOD Single : A 118 THR OG1 : rot 10:sc= 1.12 USER MOD Single : A 121 GLN : amide:sc= 0.0862 K(o=0.086,f=-1.9) USER MOD Single : A 127 GLN : amide:sc= 1.17 K(o=1.2,f=-0.022) USER MOD Single : A 128 MET CE :methyl 179:sc= -3.65! (180deg=-3.74!) USER MOD Single : A 129 GLN :FLIP amide:sc= -0.201 F(o=-0.9,f=-0.2) USER MOD Single : A 134 ASN : amide:sc= 0.412 K(o=0.41,f=-6.5!) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot -49:sc= 0.0269 USER MOD Single : A 144 THR OG1 : rot 130:sc= 0.0707 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 28.657 -7.105 5.902 1.00 0.00 N ATOM 2 CA ILE A 1 27.638 -7.026 4.844 1.00 0.00 C ATOM 3 C ILE A 1 27.332 -5.562 4.498 1.00 0.00 C ATOM 4 O ILE A 1 26.381 -4.991 5.036 1.00 0.00 O ATOM 5 CB ILE A 1 26.367 -7.858 5.169 1.00 0.00 C ATOM 6 CG1 ILE A 1 25.695 -7.573 6.538 1.00 0.00 C ATOM 7 CG2 ILE A 1 26.683 -9.362 5.090 1.00 0.00 C ATOM 8 CD1 ILE A 1 24.280 -8.153 6.646 1.00 0.00 C ATOM 0 H1 ILE A 1 28.975 -8.090 6.005 1.00 0.00 H new ATOM 0 H2 ILE A 1 29.468 -6.505 5.649 1.00 0.00 H new ATOM 0 H3 ILE A 1 28.250 -6.776 6.801 1.00 0.00 H new ATOM 0 HA ILE A 1 28.052 -7.490 3.949 1.00 0.00 H new ATOM 0 HB ILE A 1 25.648 -7.544 4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 1 26.313 -7.989 7.333 1.00 0.00 H new ATOM 0 HG13 ILE A 1 25.653 -6.496 6.698 1.00 0.00 H new ATOM 0 HG21 ILE A 1 25.785 -9.935 5.320 1.00 0.00 H new ATOM 0 HG22 ILE A 1 27.024 -9.610 4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 1 27.464 -9.608 5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 1 23.865 -7.920 7.626 1.00 0.00 H new ATOM 0 HD12 ILE A 1 23.648 -7.718 5.872 1.00 0.00 H new ATOM 0 HD13 ILE A 1 24.319 -9.235 6.517 1.00 0.00 H new ATOM 20 N PRO A 2 28.138 -4.907 3.647 1.00 0.00 N ATOM 21 CA PRO A 2 27.828 -3.575 3.152 1.00 0.00 C ATOM 22 C PRO A 2 26.688 -3.633 2.140 1.00 0.00 C ATOM 23 O PRO A 2 26.299 -4.701 1.657 1.00 0.00 O ATOM 24 CB PRO A 2 29.123 -3.079 2.498 1.00 0.00 C ATOM 25 CG PRO A 2 29.728 -4.369 1.947 1.00 0.00 C ATOM 26 CD PRO A 2 29.334 -5.411 2.992 1.00 0.00 C ATOM 0 HA PRO A 2 27.499 -2.906 3.947 1.00 0.00 H new ATOM 0 HB2 PRO A 2 28.927 -2.353 1.709 1.00 0.00 H new ATOM 0 HB3 PRO A 2 29.783 -2.596 3.219 1.00 0.00 H new ATOM 0 HG2 PRO A 2 29.328 -4.614 0.963 1.00 0.00 H new ATOM 0 HG3 PRO A 2 30.810 -4.294 1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 2 29.142 -6.377 2.524 1.00 0.00 H new ATOM 0 HD3 PRO A 2 30.138 -5.560 3.713 1.00 0.00 H new ATOM 34 N LYS A 3 26.176 -2.461 1.789 1.00 0.00 N ATOM 35 CA LYS A 3 25.107 -2.281 0.819 1.00 0.00 C ATOM 36 C LYS A 3 25.528 -1.274 -0.243 1.00 0.00 C ATOM 37 O LYS A 3 25.128 -1.416 -1.397 1.00 0.00 O ATOM 38 CB LYS A 3 23.846 -1.855 1.585 1.00 0.00 C ATOM 39 CG LYS A 3 22.567 -2.370 0.914 1.00 0.00 C ATOM 40 CD LYS A 3 21.393 -2.355 1.891 1.00 0.00 C ATOM 41 CE LYS A 3 21.504 -3.493 2.920 1.00 0.00 C ATOM 42 NZ LYS A 3 20.576 -3.270 4.045 1.00 0.00 N ATOM 0 H LYS A 3 26.505 -1.581 2.186 1.00 0.00 H new ATOM 0 HA LYS A 3 24.891 -3.207 0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 3 23.897 -2.232 2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 3 23.810 -0.767 1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 3 22.332 -1.751 0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 3 22.727 -3.384 0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 3 21.361 -1.396 2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 3 20.458 -2.451 1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 3 21.281 -4.446 2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 3 22.527 -3.555 3.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 20.666 -4.049 4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 20.807 -2.370 4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 19.600 -3.234 3.688 1.00 0.00 H new ATOM 56 N HIS A 4 26.382 -0.326 0.134 1.00 0.00 N ATOM 57 CA HIS A 4 27.067 0.650 -0.695 1.00 0.00 C ATOM 58 C HIS A 4 28.519 0.737 -0.207 1.00 0.00 C ATOM 59 O HIS A 4 28.816 0.228 0.877 1.00 0.00 O ATOM 60 CB HIS A 4 26.313 1.987 -0.591 1.00 0.00 C ATOM 61 CG HIS A 4 25.024 1.936 -1.367 1.00 0.00 C ATOM 62 ND1 HIS A 4 23.749 2.011 -0.853 1.00 0.00 N ATOM 63 CD2 HIS A 4 24.916 1.662 -2.702 1.00 0.00 C ATOM 64 CE1 HIS A 4 22.894 1.771 -1.855 1.00 0.00 C ATOM 65 NE2 HIS A 4 23.556 1.576 -3.010 1.00 0.00 N ATOM 0 H HIS A 4 26.631 -0.215 1.117 1.00 0.00 H new ATOM 0 HA HIS A 4 27.084 0.371 -1.748 1.00 0.00 H new ATOM 0 HB2 HIS A 4 26.104 2.211 0.455 1.00 0.00 H new ATOM 0 HB3 HIS A 4 26.940 2.794 -0.971 1.00 0.00 H new ATOM 0 HD2 HIS A 4 25.735 1.535 -3.394 1.00 0.00 H new ATOM 0 HE1 HIS A 4 21.820 1.738 -1.750 1.00 0.00 H new ATOM 0 HE2 HIS A 4 23.147 1.400 -3.928 1.00 0.00 H new ATOM 73 N PRO A 5 29.447 1.348 -0.972 1.00 0.00 N ATOM 74 CA PRO A 5 30.831 1.486 -0.527 1.00 0.00 C ATOM 75 C PRO A 5 30.973 2.334 0.740 1.00 0.00 C ATOM 76 O PRO A 5 31.949 2.156 1.467 1.00 0.00 O ATOM 77 CB PRO A 5 31.599 2.090 -1.708 1.00 0.00 C ATOM 78 CG PRO A 5 30.513 2.759 -2.553 1.00 0.00 C ATOM 79 CD PRO A 5 29.294 1.869 -2.325 1.00 0.00 C ATOM 0 HA PRO A 5 31.234 0.514 -0.245 1.00 0.00 H new ATOM 0 HB2 PRO A 5 32.344 2.811 -1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 5 32.129 1.323 -2.273 1.00 0.00 H new ATOM 0 HG2 PRO A 5 30.328 3.784 -2.232 1.00 0.00 H new ATOM 0 HG3 PRO A 5 30.790 2.799 -3.606 1.00 0.00 H new ATOM 0 HD2 PRO A 5 28.368 2.436 -2.426 1.00 0.00 H new ATOM 0 HD3 PRO A 5 29.254 1.061 -3.056 1.00 0.00 H new ATOM 87 N ASP A 6 29.983 3.186 1.012 1.00 0.00 N ATOM 88 CA ASP A 6 29.885 4.147 2.110 1.00 0.00 C ATOM 89 C ASP A 6 30.802 5.341 1.818 1.00 0.00 C ATOM 90 O ASP A 6 31.847 5.545 2.435 1.00 0.00 O ATOM 91 CB ASP A 6 30.109 3.467 3.472 1.00 0.00 C ATOM 92 CG ASP A 6 29.612 4.280 4.665 1.00 0.00 C ATOM 93 OD1 ASP A 6 28.774 5.193 4.498 1.00 0.00 O ATOM 94 OD2 ASP A 6 29.937 3.877 5.808 1.00 0.00 O ATOM 0 H ASP A 6 29.156 3.224 0.416 1.00 0.00 H new ATOM 0 HA ASP A 6 28.873 4.547 2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 6 29.606 2.500 3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 6 31.174 3.272 3.598 1.00 0.00 H new ATOM 99 N SER A 7 30.472 6.093 0.765 1.00 0.00 N ATOM 100 CA SER A 7 31.180 7.290 0.322 1.00 0.00 C ATOM 101 C SER A 7 30.252 8.185 -0.511 1.00 0.00 C ATOM 102 O SER A 7 29.168 7.765 -0.922 1.00 0.00 O ATOM 103 CB SER A 7 32.403 6.891 -0.520 1.00 0.00 C ATOM 104 OG SER A 7 33.376 6.212 0.244 1.00 0.00 O ATOM 0 H SER A 7 29.670 5.872 0.175 1.00 0.00 H new ATOM 0 HA SER A 7 31.509 7.845 1.201 1.00 0.00 H new ATOM 0 HB2 SER A 7 32.082 6.255 -1.345 1.00 0.00 H new ATOM 0 HB3 SER A 7 32.847 7.784 -0.960 1.00 0.00 H new ATOM 0 HG SER A 7 33.009 6.001 1.128 1.00 0.00 H new ATOM 110 N GLU A 8 30.696 9.412 -0.789 1.00 0.00 N ATOM 111 CA GLU A 8 30.013 10.445 -1.565 1.00 0.00 C ATOM 112 C GLU A 8 30.272 10.196 -3.054 1.00 0.00 C ATOM 113 O GLU A 8 30.857 11.010 -3.766 1.00 0.00 O ATOM 114 CB GLU A 8 30.487 11.839 -1.094 1.00 0.00 C ATOM 115 CG GLU A 8 29.672 12.389 0.084 1.00 0.00 C ATOM 116 CD GLU A 8 28.323 12.943 -0.384 1.00 0.00 C ATOM 117 OE1 GLU A 8 27.439 12.139 -0.750 1.00 0.00 O ATOM 118 OE2 GLU A 8 28.153 14.184 -0.430 1.00 0.00 O ATOM 0 H GLU A 8 31.605 9.731 -0.454 1.00 0.00 H new ATOM 0 HA GLU A 8 28.935 10.408 -1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 8 31.536 11.780 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 8 30.425 12.538 -1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 8 29.509 11.599 0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 8 30.237 13.176 0.584 1.00 0.00 H new ATOM 125 N ALA A 9 29.878 9.011 -3.515 1.00 0.00 N ATOM 126 CA ALA A 9 29.903 8.647 -4.929 1.00 0.00 C ATOM 127 C ALA A 9 28.757 7.708 -5.304 1.00 0.00 C ATOM 128 O ALA A 9 28.939 6.757 -6.066 1.00 0.00 O ATOM 129 CB ALA A 9 31.278 8.059 -5.282 1.00 0.00 C ATOM 0 H ALA A 9 29.528 8.268 -2.910 1.00 0.00 H new ATOM 0 HA ALA A 9 29.749 9.548 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 9 31.297 7.787 -6.337 1.00 0.00 H new ATOM 0 HB2 ALA A 9 32.052 8.800 -5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 9 31.461 7.172 -4.675 1.00 0.00 H new ATOM 135 N VAL A 10 27.573 7.966 -4.759 1.00 0.00 N ATOM 136 CA VAL A 10 26.393 7.158 -5.022 1.00 0.00 C ATOM 137 C VAL A 10 25.143 8.041 -4.962 1.00 0.00 C ATOM 138 O VAL A 10 25.124 9.050 -4.258 1.00 0.00 O ATOM 139 CB VAL A 10 26.390 5.953 -4.057 1.00 0.00 C ATOM 140 CG1 VAL A 10 26.061 6.329 -2.609 1.00 0.00 C ATOM 141 CG2 VAL A 10 25.443 4.854 -4.537 1.00 0.00 C ATOM 0 H VAL A 10 27.407 8.744 -4.121 1.00 0.00 H new ATOM 0 HA VAL A 10 26.401 6.739 -6.028 1.00 0.00 H new ATOM 0 HB VAL A 10 27.413 5.576 -4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 10 26.077 5.433 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 10 26.801 7.039 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 10 25.071 6.782 -2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 10 25.466 4.021 -3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 10 24.429 5.249 -4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 10 25.758 4.507 -5.521 1.00 0.00 H new ATOM 151 N ALA A 11 24.106 7.666 -5.713 1.00 0.00 N ATOM 152 CA ALA A 11 22.803 8.314 -5.666 1.00 0.00 C ATOM 153 C ALA A 11 22.073 7.964 -4.358 1.00 0.00 C ATOM 154 O ALA A 11 22.314 6.892 -3.794 1.00 0.00 O ATOM 155 CB ALA A 11 21.982 7.859 -6.878 1.00 0.00 C ATOM 0 H ALA A 11 24.153 6.894 -6.378 1.00 0.00 H new ATOM 0 HA ALA A 11 22.932 9.396 -5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 11 21.003 8.338 -6.855 1.00 0.00 H new ATOM 0 HB2 ALA A 11 22.501 8.139 -7.795 1.00 0.00 H new ATOM 0 HB3 ALA A 11 21.858 6.777 -6.848 1.00 0.00 H new ATOM 161 N PRO A 12 21.130 8.811 -3.906 1.00 0.00 N ATOM 162 CA PRO A 12 20.395 8.582 -2.671 1.00 0.00 C ATOM 163 C PRO A 12 19.468 7.375 -2.804 1.00 0.00 C ATOM 164 O PRO A 12 18.689 7.255 -3.759 1.00 0.00 O ATOM 165 CB PRO A 12 19.620 9.865 -2.385 1.00 0.00 C ATOM 166 CG PRO A 12 19.458 10.476 -3.766 1.00 0.00 C ATOM 167 CD PRO A 12 20.737 10.080 -4.497 1.00 0.00 C ATOM 0 HA PRO A 12 21.068 8.352 -1.845 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.657 9.660 -1.918 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.166 10.526 -1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.573 10.090 -4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.348 11.559 -3.713 1.00 0.00 H new ATOM 0 HD2 PRO A 12 20.564 9.980 -5.569 1.00 0.00 H new ATOM 0 HD3 PRO A 12 21.515 10.833 -4.368 1.00 0.00 H new ATOM 175 N ASP A 13 19.567 6.485 -1.825 1.00 0.00 N ATOM 176 CA ASP A 13 18.865 5.215 -1.778 1.00 0.00 C ATOM 177 C ASP A 13 17.356 5.455 -1.607 1.00 0.00 C ATOM 178 O ASP A 13 16.968 6.407 -0.912 1.00 0.00 O ATOM 179 CB ASP A 13 19.474 4.381 -0.639 1.00 0.00 C ATOM 180 CG ASP A 13 19.077 2.915 -0.718 1.00 0.00 C ATOM 181 OD1 ASP A 13 19.526 2.267 -1.691 1.00 0.00 O ATOM 182 OD2 ASP A 13 18.293 2.435 0.139 1.00 0.00 O ATOM 0 H ASP A 13 20.163 6.637 -1.011 1.00 0.00 H new ATOM 0 HA ASP A 13 18.981 4.660 -2.709 1.00 0.00 H new ATOM 0 HB2 ASP A 13 20.560 4.463 -0.673 1.00 0.00 H new ATOM 0 HB3 ASP A 13 19.153 4.790 0.319 1.00 0.00 H new ATOM 187 N PRO A 14 16.488 4.629 -2.222 1.00 0.00 N ATOM 188 CA PRO A 14 15.052 4.859 -2.246 1.00 0.00 C ATOM 189 C PRO A 14 14.411 4.632 -0.875 1.00 0.00 C ATOM 190 O PRO A 14 15.082 4.230 0.078 1.00 0.00 O ATOM 191 CB PRO A 14 14.500 3.902 -3.309 1.00 0.00 C ATOM 192 CG PRO A 14 15.540 2.811 -3.480 1.00 0.00 C ATOM 193 CD PRO A 14 16.831 3.450 -2.999 1.00 0.00 C ATOM 0 HA PRO A 14 14.820 5.896 -2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.544 3.482 -2.996 1.00 0.00 H new ATOM 0 HB3 PRO A 14 14.326 4.424 -4.250 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.290 1.927 -2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.616 2.493 -4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 14 17.401 2.747 -2.392 1.00 0.00 H new ATOM 0 HD3 PRO A 14 17.460 3.722 -3.847 1.00 0.00 H new ATOM 201 N PHE A 15 13.089 4.832 -0.810 1.00 0.00 N ATOM 202 CA PHE A 15 12.269 4.678 0.387 1.00 0.00 C ATOM 203 C PHE A 15 12.681 5.717 1.429 1.00 0.00 C ATOM 204 O PHE A 15 13.186 5.391 2.502 1.00 0.00 O ATOM 205 CB PHE A 15 12.278 3.216 0.877 1.00 0.00 C ATOM 206 CG PHE A 15 11.782 2.177 -0.125 1.00 0.00 C ATOM 207 CD1 PHE A 15 10.722 2.454 -1.016 1.00 0.00 C ATOM 208 CD2 PHE A 15 12.368 0.897 -0.140 1.00 0.00 C ATOM 209 CE1 PHE A 15 10.253 1.464 -1.895 1.00 0.00 C ATOM 210 CE2 PHE A 15 11.864 -0.109 -0.982 1.00 0.00 C ATOM 211 CZ PHE A 15 10.819 0.181 -1.872 1.00 0.00 C ATOM 0 H PHE A 15 12.545 5.117 -1.624 1.00 0.00 H new ATOM 0 HA PHE A 15 11.222 4.881 0.163 1.00 0.00 H new ATOM 0 HB2 PHE A 15 13.296 2.956 1.167 1.00 0.00 H new ATOM 0 HB3 PHE A 15 11.664 3.150 1.775 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.269 3.434 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 15 13.212 0.686 0.501 1.00 0.00 H new ATOM 0 HE1 PHE A 15 9.457 1.691 -2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.281 -1.105 -0.944 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.450 -0.584 -2.539 1.00 0.00 H new ATOM 221 N ASN A 16 12.463 6.992 1.089 1.00 0.00 N ATOM 222 CA ASN A 16 12.983 8.119 1.868 1.00 0.00 C ATOM 223 C ASN A 16 11.841 8.885 2.543 1.00 0.00 C ATOM 224 O ASN A 16 10.814 9.081 1.897 1.00 0.00 O ATOM 225 CB ASN A 16 13.741 9.058 0.910 1.00 0.00 C ATOM 226 CG ASN A 16 14.889 9.760 1.614 1.00 0.00 C ATOM 227 OD1 ASN A 16 14.958 11.076 1.580 1.00 0.00 O flip ATOM 228 ND2 ASN A 16 15.759 9.101 2.170 1.00 0.00 N flip ATOM 0 H ASN A 16 11.923 7.270 0.269 1.00 0.00 H new ATOM 0 HA ASN A 16 13.648 7.747 2.647 1.00 0.00 H new ATOM 0 HB2 ASN A 16 14.126 8.486 0.066 1.00 0.00 H new ATOM 0 HB3 ASN A 16 13.053 9.800 0.505 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.694 8.083 2.189 1.00 0.00 H new ATOM 0 HD22 ASN A 16 16.549 9.570 2.614 1.00 0.00 H new ATOM 235 N PRO A 17 12.024 9.413 3.766 1.00 0.00 N ATOM 236 CA PRO A 17 11.007 10.177 4.489 1.00 0.00 C ATOM 237 C PRO A 17 10.815 11.578 3.896 1.00 0.00 C ATOM 238 O PRO A 17 9.717 12.138 3.984 1.00 0.00 O ATOM 239 CB PRO A 17 11.477 10.240 5.945 1.00 0.00 C ATOM 240 CG PRO A 17 12.993 10.135 5.793 1.00 0.00 C ATOM 241 CD PRO A 17 13.196 9.228 4.595 1.00 0.00 C ATOM 0 HA PRO A 17 10.032 9.696 4.411 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.179 11.169 6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.069 9.424 6.541 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.444 11.114 5.630 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.453 9.718 6.689 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.105 9.491 4.054 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.298 8.188 4.903 1.00 0.00 H new ATOM 249 N ALA A 18 11.845 12.139 3.245 1.00 0.00 N ATOM 250 CA ALA A 18 11.753 13.382 2.476 1.00 0.00 C ATOM 251 C ALA A 18 10.988 13.176 1.156 1.00 0.00 C ATOM 252 O ALA A 18 11.450 13.555 0.078 1.00 0.00 O ATOM 253 CB ALA A 18 13.143 13.989 2.251 1.00 0.00 C ATOM 0 H ALA A 18 12.780 11.732 3.240 1.00 0.00 H new ATOM 0 HA ALA A 18 11.176 14.098 3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.049 14.911 1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.606 14.206 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.764 13.282 1.701 1.00 0.00 H new ATOM 259 N ALA A 19 9.817 12.559 1.243 1.00 0.00 N ATOM 260 CA ALA A 19 8.864 12.304 0.182 1.00 0.00 C ATOM 261 C ALA A 19 7.484 12.132 0.810 1.00 0.00 C ATOM 262 O ALA A 19 6.509 12.702 0.346 1.00 0.00 O ATOM 263 CB ALA A 19 9.259 11.016 -0.535 1.00 0.00 C ATOM 0 H ALA A 19 9.486 12.195 2.136 1.00 0.00 H new ATOM 0 HA ALA A 19 8.851 13.129 -0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.549 10.813 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.259 11.125 -0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.252 10.188 0.174 1.00 0.00 H new ATOM 269 N THR A 20 7.411 11.390 1.908 1.00 0.00 N ATOM 270 CA THR A 20 6.221 10.817 2.527 1.00 0.00 C ATOM 271 C THR A 20 5.182 11.857 2.978 1.00 0.00 C ATOM 272 O THR A 20 4.019 11.511 3.163 1.00 0.00 O ATOM 273 CB THR A 20 6.729 9.939 3.683 1.00 0.00 C ATOM 274 OG1 THR A 20 7.958 9.350 3.287 1.00 0.00 O ATOM 275 CG2 THR A 20 5.786 8.821 4.086 1.00 0.00 C ATOM 0 H THR A 20 8.253 11.154 2.433 1.00 0.00 H new ATOM 0 HA THR A 20 5.666 10.230 1.795 1.00 0.00 H new ATOM 0 HB THR A 20 6.826 10.596 4.548 1.00 0.00 H new ATOM 0 HG1 THR A 20 8.139 8.565 3.845 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.224 8.254 4.907 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.834 9.245 4.406 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.621 8.160 3.235 1.00 0.00 H new ATOM 283 N GLN A 21 5.576 13.129 3.093 1.00 0.00 N ATOM 284 CA GLN A 21 4.711 14.273 3.376 1.00 0.00 C ATOM 285 C GLN A 21 3.853 14.703 2.176 1.00 0.00 C ATOM 286 O GLN A 21 2.799 15.301 2.378 1.00 0.00 O ATOM 287 CB GLN A 21 5.593 15.430 3.872 1.00 0.00 C ATOM 288 CG GLN A 21 6.533 15.999 2.797 1.00 0.00 C ATOM 289 CD GLN A 21 7.889 16.402 3.361 1.00 0.00 C ATOM 290 OE1 GLN A 21 8.119 17.574 3.668 1.00 0.00 O ATOM 291 NE2 GLN A 21 8.805 15.447 3.473 1.00 0.00 N ATOM 0 H GLN A 21 6.554 13.399 2.986 1.00 0.00 H new ATOM 0 HA GLN A 21 3.996 13.978 4.144 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.952 16.231 4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.189 15.084 4.716 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.676 15.255 2.013 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.065 16.866 2.332 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.577 14.488 3.209 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.736 15.672 3.823 1.00 0.00 H new ATOM 300 N LEU A 22 4.276 14.394 0.943 1.00 0.00 N ATOM 301 CA LEU A 22 3.623 14.801 -0.310 1.00 0.00 C ATOM 302 C LEU A 22 2.321 14.029 -0.530 1.00 0.00 C ATOM 303 O LEU A 22 1.633 14.251 -1.525 1.00 0.00 O ATOM 304 CB LEU A 22 4.565 14.572 -1.525 1.00 0.00 C ATOM 305 CG LEU A 22 5.505 15.725 -1.907 1.00 0.00 C ATOM 306 CD1 LEU A 22 6.360 16.158 -0.725 1.00 0.00 C ATOM 307 CD2 LEU A 22 6.419 15.298 -3.068 1.00 0.00 C ATOM 0 H LEU A 22 5.113 13.833 0.784 1.00 0.00 H new ATOM 0 HA LEU A 22 3.395 15.864 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.175 13.692 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.948 14.337 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 22 4.888 16.569 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.014 16.975 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.715 16.492 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.965 15.317 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.082 16.122 -3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.014 14.437 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.810 15.032 -3.932 1.00 0.00 H new ATOM 319 N LEU A 23 2.007 13.072 0.342 1.00 0.00 N ATOM 320 CA LEU A 23 1.057 11.999 0.093 1.00 0.00 C ATOM 321 C LEU A 23 -0.388 12.466 0.334 1.00 0.00 C ATOM 322 O LEU A 23 -1.213 11.700 0.824 1.00 0.00 O ATOM 323 CB LEU A 23 1.479 10.750 0.905 1.00 0.00 C ATOM 324 CG LEU A 23 2.563 9.867 0.247 1.00 0.00 C ATOM 325 CD1 LEU A 23 1.996 9.030 -0.897 1.00 0.00 C ATOM 326 CD2 LEU A 23 3.799 10.641 -0.234 1.00 0.00 C ATOM 0 H LEU A 23 2.424 13.025 1.272 1.00 0.00 H new ATOM 0 HA LEU A 23 1.074 11.710 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.843 11.077 1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.595 10.138 1.084 1.00 0.00 H new ATOM 0 HG LEU A 23 2.899 9.206 1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.790 8.424 -1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.210 8.379 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.583 9.689 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.510 9.948 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.499 11.383 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.267 11.143 0.613 1.00 0.00 H new ATOM 338 N ASP A 24 -0.714 13.697 -0.054 1.00 0.00 N ATOM 339 CA ASP A 24 -2.070 14.236 0.015 1.00 0.00 C ATOM 340 C ASP A 24 -2.881 13.820 -1.211 1.00 0.00 C ATOM 341 O ASP A 24 -3.973 13.288 -1.072 1.00 0.00 O ATOM 342 CB ASP A 24 -2.052 15.770 0.162 1.00 0.00 C ATOM 343 CG ASP A 24 -2.415 16.207 1.582 1.00 0.00 C ATOM 344 OD1 ASP A 24 -1.666 15.874 2.528 1.00 0.00 O ATOM 345 OD2 ASP A 24 -3.392 16.963 1.785 1.00 0.00 O ATOM 0 H ASP A 24 -0.034 14.357 -0.430 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.550 13.820 0.901 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.062 16.148 -0.093 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.754 16.212 -0.545 1.00 0.00 H new ATOM 350 N ASP A 25 -2.347 14.048 -2.408 1.00 0.00 N ATOM 351 CA ASP A 25 -3.122 14.134 -3.658 1.00 0.00 C ATOM 352 C ASP A 25 -3.021 12.851 -4.493 1.00 0.00 C ATOM 353 O ASP A 25 -3.576 12.749 -5.590 1.00 0.00 O ATOM 354 CB ASP A 25 -2.596 15.343 -4.470 1.00 0.00 C ATOM 355 CG ASP A 25 -3.516 16.564 -4.422 1.00 0.00 C ATOM 356 OD1 ASP A 25 -4.127 16.851 -3.369 1.00 0.00 O ATOM 357 OD2 ASP A 25 -3.663 17.254 -5.457 1.00 0.00 O ATOM 0 H ASP A 25 -1.345 14.182 -2.547 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.175 14.263 -3.409 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.614 15.624 -4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.462 15.041 -5.509 1.00 0.00 H new ATOM 362 N THR A 26 -2.223 11.897 -4.021 1.00 0.00 N ATOM 363 CA THR A 26 -1.619 10.877 -4.856 1.00 0.00 C ATOM 364 C THR A 26 -2.463 9.592 -4.879 1.00 0.00 C ATOM 365 O THR A 26 -3.345 9.354 -4.056 1.00 0.00 O ATOM 366 CB THR A 26 -0.166 10.630 -4.389 1.00 0.00 C ATOM 367 OG1 THR A 26 0.380 11.686 -3.592 1.00 0.00 O ATOM 368 CG2 THR A 26 0.761 10.424 -5.575 1.00 0.00 C ATOM 0 H THR A 26 -1.978 11.814 -3.034 1.00 0.00 H new ATOM 0 HA THR A 26 -1.588 11.226 -5.888 1.00 0.00 H new ATOM 0 HB THR A 26 -0.227 9.734 -3.771 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.298 11.459 -3.333 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.776 10.252 -5.218 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.428 9.561 -6.151 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.744 11.311 -6.208 1.00 0.00 H new ATOM 376 N SER A 27 -2.156 8.693 -5.801 1.00 0.00 N ATOM 377 CA SER A 27 -2.892 7.480 -6.040 1.00 0.00 C ATOM 378 C SER A 27 -1.886 6.417 -6.349 1.00 0.00 C ATOM 379 O SER A 27 -0.768 6.682 -6.816 1.00 0.00 O ATOM 380 CB SER A 27 -3.829 7.658 -7.229 1.00 0.00 C ATOM 381 OG SER A 27 -3.142 8.060 -8.393 1.00 0.00 O ATOM 0 H SER A 27 -1.355 8.801 -6.423 1.00 0.00 H new ATOM 0 HA SER A 27 -3.495 7.216 -5.171 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.350 6.720 -7.422 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.589 8.400 -6.983 1.00 0.00 H new ATOM 0 HG SER A 27 -3.750 8.022 -9.161 1.00 0.00 H new ATOM 387 N TRP A 28 -2.325 5.201 -6.093 1.00 0.00 N ATOM 388 CA TRP A 28 -1.499 4.045 -6.217 1.00 0.00 C ATOM 389 C TRP A 28 -2.380 2.906 -6.695 1.00 0.00 C ATOM 390 O TRP A 28 -3.605 3.010 -6.672 1.00 0.00 O ATOM 391 CB TRP A 28 -0.783 3.769 -4.883 1.00 0.00 C ATOM 392 CG TRP A 28 -0.225 4.971 -4.178 1.00 0.00 C ATOM 393 CD1 TRP A 28 -0.851 5.821 -3.319 1.00 0.00 C ATOM 394 CD2 TRP A 28 1.095 5.525 -4.410 1.00 0.00 C ATOM 395 NE1 TRP A 28 0.003 6.884 -3.055 1.00 0.00 N ATOM 396 CE2 TRP A 28 1.186 6.788 -3.770 1.00 0.00 C ATOM 397 CE3 TRP A 28 2.208 5.078 -5.145 1.00 0.00 C ATOM 398 CZ2 TRP A 28 2.315 7.609 -3.942 1.00 0.00 C ATOM 399 CZ3 TRP A 28 3.361 5.872 -5.282 1.00 0.00 C ATOM 400 CH2 TRP A 28 3.406 7.148 -4.699 1.00 0.00 C ATOM 0 H TRP A 28 -3.278 4.999 -5.790 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.703 4.182 -6.949 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.484 3.271 -4.213 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.032 3.069 -5.068 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.843 5.691 -2.912 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.215 7.645 -2.411 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.177 4.105 -5.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.344 8.591 -3.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.211 5.500 -5.835 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.276 7.774 -4.832 1.00 0.00 H new ATOM 411 N VAL A 29 -1.796 1.793 -7.091 1.00 0.00 N ATOM 412 CA VAL A 29 -2.551 0.575 -7.354 1.00 0.00 C ATOM 413 C VAL A 29 -1.755 -0.540 -6.716 1.00 0.00 C ATOM 414 O VAL A 29 -0.553 -0.646 -6.952 1.00 0.00 O ATOM 415 CB VAL A 29 -2.779 0.415 -8.862 1.00 0.00 C ATOM 416 CG1 VAL A 29 -3.410 -0.925 -9.237 1.00 0.00 C ATOM 417 CG2 VAL A 29 -3.610 1.556 -9.454 1.00 0.00 C ATOM 0 H VAL A 29 -0.791 1.703 -7.240 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.554 0.582 -6.928 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.780 0.449 -9.297 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.544 -0.974 -10.318 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.758 -1.737 -8.915 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.378 -1.021 -8.746 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.741 1.393 -10.524 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.586 1.585 -8.969 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.095 2.503 -9.292 1.00 0.00 H new ATOM 427 N LEU A 30 -2.400 -1.292 -5.825 1.00 0.00 N ATOM 428 CA LEU A 30 -1.741 -2.373 -5.119 1.00 0.00 C ATOM 429 C LEU A 30 -1.695 -3.563 -6.052 1.00 0.00 C ATOM 430 O LEU A 30 -2.738 -3.956 -6.581 1.00 0.00 O ATOM 431 CB LEU A 30 -2.524 -2.740 -3.853 1.00 0.00 C ATOM 432 CG LEU A 30 -1.876 -3.767 -2.913 1.00 0.00 C ATOM 433 CD1 LEU A 30 -2.266 -5.215 -3.232 1.00 0.00 C ATOM 434 CD2 LEU A 30 -0.361 -3.626 -2.887 1.00 0.00 C ATOM 0 H LEU A 30 -3.382 -1.166 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.737 -2.072 -4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.702 -1.826 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.499 -3.123 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.270 -3.541 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.773 -5.888 -2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.347 -5.328 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.956 -5.460 -4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.062 -4.369 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.036 -3.780 -3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.094 -2.627 -2.541 1.00 0.00 H new ATOM 446 N SER A 31 -0.519 -4.161 -6.209 1.00 0.00 N ATOM 447 CA SER A 31 -0.356 -5.311 -7.075 1.00 0.00 C ATOM 448 C SER A 31 0.413 -6.467 -6.405 1.00 0.00 C ATOM 449 O SER A 31 0.442 -7.571 -6.954 1.00 0.00 O ATOM 450 CB SER A 31 0.280 -4.787 -8.368 1.00 0.00 C ATOM 451 OG SER A 31 -0.191 -5.475 -9.509 1.00 0.00 O ATOM 0 H SER A 31 0.337 -3.862 -5.742 1.00 0.00 H new ATOM 0 HA SER A 31 -1.317 -5.773 -7.302 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.065 -3.724 -8.472 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.363 -4.889 -8.306 1.00 0.00 H new ATOM 0 HG SER A 31 0.237 -5.110 -10.311 1.00 0.00 H new ATOM 457 N ALA A 32 0.986 -6.277 -5.202 1.00 0.00 N ATOM 458 CA ALA A 32 1.615 -7.369 -4.458 1.00 0.00 C ATOM 459 C ALA A 32 1.628 -7.084 -2.949 1.00 0.00 C ATOM 460 O ALA A 32 1.879 -5.954 -2.536 1.00 0.00 O ATOM 461 CB ALA A 32 3.044 -7.581 -4.980 1.00 0.00 C ATOM 0 H ALA A 32 1.023 -5.374 -4.729 1.00 0.00 H new ATOM 0 HA ALA A 32 1.033 -8.277 -4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.516 -8.394 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.011 -7.833 -6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.621 -6.666 -4.843 1.00 0.00 H new ATOM 467 N TRP A 33 1.407 -8.110 -2.125 1.00 0.00 N ATOM 468 CA TRP A 33 1.474 -8.137 -0.660 1.00 0.00 C ATOM 469 C TRP A 33 2.394 -9.292 -0.299 1.00 0.00 C ATOM 470 O TRP A 33 2.133 -10.436 -0.668 1.00 0.00 O ATOM 471 CB TRP A 33 0.057 -8.326 -0.064 1.00 0.00 C ATOM 472 CG TRP A 33 -0.221 -8.392 1.408 1.00 0.00 C ATOM 473 CD1 TRP A 33 0.640 -8.678 2.412 1.00 0.00 C ATOM 474 CD2 TRP A 33 -1.516 -8.194 2.049 1.00 0.00 C ATOM 475 NE1 TRP A 33 -0.004 -8.554 3.625 1.00 0.00 N ATOM 476 CE2 TRP A 33 -1.330 -8.220 3.459 1.00 0.00 C ATOM 477 CE3 TRP A 33 -2.825 -7.955 1.571 1.00 0.00 C ATOM 478 CZ2 TRP A 33 -2.374 -7.940 4.348 1.00 0.00 C ATOM 479 CZ3 TRP A 33 -3.895 -7.723 2.454 1.00 0.00 C ATOM 480 CH2 TRP A 33 -3.660 -7.704 3.837 1.00 0.00 C ATOM 0 H TRP A 33 1.154 -9.025 -2.498 1.00 0.00 H new ATOM 0 HA TRP A 33 1.859 -7.202 -0.252 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.551 -7.510 -0.455 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.335 -9.249 -0.492 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.674 -8.960 2.283 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.445 -8.692 4.531 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -3.007 -7.950 0.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.193 -7.906 5.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -4.891 -7.561 2.070 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.477 -7.506 4.515 1.00 0.00 H new ATOM 491 N LYS A 34 3.505 -9.023 0.371 1.00 0.00 N ATOM 492 CA LYS A 34 4.383 -10.024 0.950 1.00 0.00 C ATOM 493 C LYS A 34 4.039 -10.126 2.426 1.00 0.00 C ATOM 494 O LYS A 34 3.934 -9.095 3.092 1.00 0.00 O ATOM 495 CB LYS A 34 5.837 -9.572 0.769 1.00 0.00 C ATOM 496 CG LYS A 34 6.763 -10.766 0.553 1.00 0.00 C ATOM 497 CD LYS A 34 7.007 -10.976 -0.944 1.00 0.00 C ATOM 498 CE LYS A 34 8.132 -10.056 -1.410 1.00 0.00 C ATOM 499 NZ LYS A 34 8.480 -10.248 -2.831 1.00 0.00 N ATOM 0 H LYS A 34 3.829 -8.069 0.531 1.00 0.00 H new ATOM 0 HA LYS A 34 4.259 -10.994 0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.907 -8.895 -0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.159 -9.013 1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.711 -10.599 1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.321 -11.663 0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.269 -12.016 -1.138 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.096 -10.767 -1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.836 -9.019 -1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.016 -10.233 -0.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.249 -9.598 -3.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.790 -11.229 -2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.647 -10.053 -3.422 1.00 0.00 H new ATOM 513 N GLN A 35 3.837 -11.330 2.944 1.00 0.00 N ATOM 514 CA GLN A 35 3.858 -11.527 4.380 1.00 0.00 C ATOM 515 C GLN A 35 5.262 -11.274 4.915 1.00 0.00 C ATOM 516 O GLN A 35 6.229 -11.231 4.149 1.00 0.00 O ATOM 517 CB GLN A 35 3.422 -12.926 4.785 1.00 0.00 C ATOM 518 CG GLN A 35 2.124 -13.448 4.164 1.00 0.00 C ATOM 519 CD GLN A 35 1.646 -14.737 4.838 1.00 0.00 C ATOM 520 OE1 GLN A 35 2.515 -15.439 5.547 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 0.480 -15.105 4.726 1.00 0.00 N flip ATOM 0 H GLN A 35 3.659 -12.172 2.397 1.00 0.00 H new ATOM 0 HA GLN A 35 3.148 -10.819 4.807 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.224 -13.619 4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.313 -12.948 5.869 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.349 -12.686 4.248 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.278 -13.630 3.100 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.178 -14.553 4.176 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.170 -15.963 5.183 1.00 0.00 H new ATOM 530 N ALA A 36 5.359 -11.184 6.237 1.00 0.00 N ATOM 531 CA ALA A 36 6.575 -10.838 6.950 1.00 0.00 C ATOM 532 C ALA A 36 7.703 -11.828 6.677 1.00 0.00 C ATOM 533 O ALA A 36 8.859 -11.426 6.620 1.00 0.00 O ATOM 534 CB ALA A 36 6.272 -10.789 8.446 1.00 0.00 C ATOM 0 H ALA A 36 4.568 -11.356 6.857 1.00 0.00 H new ATOM 0 HA ALA A 36 6.913 -9.864 6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.179 -10.530 8.993 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.506 -10.038 8.638 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.915 -11.764 8.777 1.00 0.00 H new ATOM 540 N ASP A 37 7.376 -13.109 6.470 1.00 0.00 N ATOM 541 CA ASP A 37 8.406 -14.133 6.258 1.00 0.00 C ATOM 542 C ASP A 37 9.097 -13.933 4.915 1.00 0.00 C ATOM 543 O ASP A 37 10.225 -14.383 4.713 1.00 0.00 O ATOM 544 CB ASP A 37 7.818 -15.554 6.291 1.00 0.00 C ATOM 545 CG ASP A 37 8.632 -16.452 7.215 1.00 0.00 C ATOM 546 OD1 ASP A 37 9.688 -16.982 6.801 1.00 0.00 O ATOM 547 OD2 ASP A 37 8.210 -16.596 8.385 1.00 0.00 O ATOM 0 H ASP A 37 6.418 -13.459 6.445 1.00 0.00 H new ATOM 0 HA ASP A 37 9.123 -14.025 7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.783 -15.517 6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.808 -15.973 5.285 1.00 0.00 H new ATOM 552 N GLY A 38 8.401 -13.266 3.995 1.00 0.00 N ATOM 553 CA GLY A 38 8.728 -13.134 2.593 1.00 0.00 C ATOM 554 C GLY A 38 7.756 -13.905 1.696 1.00 0.00 C ATOM 555 O GLY A 38 7.932 -13.906 0.480 1.00 0.00 O ATOM 0 H GLY A 38 7.540 -12.775 4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.716 -12.080 2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.742 -13.496 2.423 1.00 0.00 H new ATOM 559 N THR A 39 6.716 -14.537 2.256 1.00 0.00 N ATOM 560 CA THR A 39 5.690 -15.249 1.511 1.00 0.00 C ATOM 561 C THR A 39 4.871 -14.241 0.718 1.00 0.00 C ATOM 562 O THR A 39 4.052 -13.518 1.283 1.00 0.00 O ATOM 563 CB THR A 39 4.847 -16.075 2.494 1.00 0.00 C ATOM 564 OG1 THR A 39 5.680 -17.064 3.071 1.00 0.00 O ATOM 565 CG2 THR A 39 3.630 -16.756 1.858 1.00 0.00 C ATOM 0 H THR A 39 6.569 -14.563 3.265 1.00 0.00 H new ATOM 0 HA THR A 39 6.123 -15.947 0.794 1.00 0.00 H new ATOM 0 HB THR A 39 4.453 -15.381 3.237 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.159 -17.602 3.704 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.089 -17.319 2.619 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.972 -16.000 1.430 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.962 -17.435 1.073 1.00 0.00 H new ATOM 573 N ALA A 40 5.100 -14.160 -0.589 1.00 0.00 N ATOM 574 CA ALA A 40 4.229 -13.428 -1.483 1.00 0.00 C ATOM 575 C ALA A 40 2.835 -14.053 -1.433 1.00 0.00 C ATOM 576 O ALA A 40 2.656 -15.227 -1.766 1.00 0.00 O ATOM 577 CB ALA A 40 4.841 -13.426 -2.876 1.00 0.00 C ATOM 0 H ALA A 40 5.895 -14.601 -1.051 1.00 0.00 H new ATOM 0 HA ALA A 40 4.124 -12.386 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.192 -12.877 -3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.820 -12.948 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.950 -14.452 -3.227 1.00 0.00 H new ATOM 583 N ARG A 41 1.853 -13.286 -0.958 1.00 0.00 N ATOM 584 CA ARG A 41 0.451 -13.676 -0.996 1.00 0.00 C ATOM 585 C ARG A 41 -0.050 -13.642 -2.432 1.00 0.00 C ATOM 586 O ARG A 41 0.603 -13.060 -3.304 1.00 0.00 O ATOM 587 CB ARG A 41 -0.373 -12.718 -0.120 1.00 0.00 C ATOM 588 CG ARG A 41 -0.411 -13.181 1.334 1.00 0.00 C ATOM 589 CD ARG A 41 -1.007 -12.067 2.202 1.00 0.00 C ATOM 590 NE ARG A 41 -1.704 -12.625 3.367 1.00 0.00 N ATOM 591 CZ ARG A 41 -1.700 -12.156 4.616 1.00 0.00 C ATOM 592 NH1 ARG A 41 -0.969 -11.108 4.962 1.00 0.00 N ATOM 593 NH2 ARG A 41 -2.456 -12.744 5.520 1.00 0.00 N ATOM 0 H ARG A 41 2.013 -12.372 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 41 0.342 -14.689 -0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.054 -11.717 -0.173 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.389 -12.652 -0.508 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.009 -14.088 1.424 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.594 -13.427 1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.214 -11.397 2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.701 -11.471 1.609 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.254 -13.468 3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.390 -10.638 4.266 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.985 -10.770 5.924 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.032 -13.545 5.260 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.465 -12.399 6.480 1.00 0.00 H new ATOM 607 N ALA A 42 -1.238 -14.185 -2.676 1.00 0.00 N ATOM 608 CA ALA A 42 -2.078 -13.716 -3.766 1.00 0.00 C ATOM 609 C ALA A 42 -2.832 -12.472 -3.309 1.00 0.00 C ATOM 610 O ALA A 42 -3.154 -12.327 -2.126 1.00 0.00 O ATOM 611 CB ALA A 42 -3.072 -14.799 -4.169 1.00 0.00 C ATOM 0 H ALA A 42 -1.638 -14.950 -2.133 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.454 -13.478 -4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.695 -14.435 -4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.530 -15.687 -4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.702 -15.050 -3.316 1.00 0.00 H new ATOM 617 N VAL A 43 -3.169 -11.616 -4.264 1.00 0.00 N ATOM 618 CA VAL A 43 -4.051 -10.475 -4.113 1.00 0.00 C ATOM 619 C VAL A 43 -4.933 -10.371 -5.368 1.00 0.00 C ATOM 620 O VAL A 43 -4.642 -11.021 -6.381 1.00 0.00 O ATOM 621 CB VAL A 43 -3.256 -9.172 -3.852 1.00 0.00 C ATOM 622 CG1 VAL A 43 -2.544 -9.201 -2.491 1.00 0.00 C ATOM 623 CG2 VAL A 43 -2.240 -8.837 -4.951 1.00 0.00 C ATOM 0 H VAL A 43 -2.813 -11.707 -5.215 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.688 -10.617 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.008 -8.383 -3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.998 -8.269 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.282 -9.316 -1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.847 -10.038 -2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.722 -7.912 -4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.515 -9.647 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.759 -8.714 -5.901 1.00 0.00 H new ATOM 633 N PRO A 44 -6.011 -9.575 -5.317 1.00 0.00 N ATOM 634 CA PRO A 44 -6.792 -9.223 -6.492 1.00 0.00 C ATOM 635 C PRO A 44 -5.965 -8.360 -7.444 1.00 0.00 C ATOM 636 O PRO A 44 -5.736 -7.176 -7.172 1.00 0.00 O ATOM 637 CB PRO A 44 -8.024 -8.477 -5.977 1.00 0.00 C ATOM 638 CG PRO A 44 -7.646 -8.028 -4.578 1.00 0.00 C ATOM 639 CD PRO A 44 -6.618 -9.038 -4.109 1.00 0.00 C ATOM 0 HA PRO A 44 -7.089 -10.105 -7.060 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.267 -7.626 -6.614 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.901 -9.124 -5.962 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.234 -7.019 -4.585 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.515 -8.013 -3.920 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.870 -8.567 -3.471 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.086 -9.828 -3.522 1.00 0.00 H new ATOM 647 N SER A 45 -5.512 -8.935 -8.554 1.00 0.00 N ATOM 648 CA SER A 45 -4.939 -8.221 -9.672 1.00 0.00 C ATOM 649 C SER A 45 -6.018 -7.474 -10.471 1.00 0.00 C ATOM 650 O SER A 45 -7.216 -7.639 -10.208 1.00 0.00 O ATOM 651 CB SER A 45 -4.172 -9.239 -10.527 1.00 0.00 C ATOM 652 OG SER A 45 -3.737 -10.351 -9.753 1.00 0.00 O ATOM 0 H SER A 45 -5.538 -9.945 -8.697 1.00 0.00 H new ATOM 0 HA SER A 45 -4.251 -7.450 -9.324 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.810 -9.588 -11.339 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.310 -8.754 -10.985 1.00 0.00 H new ATOM 0 HG SER A 45 -3.254 -10.981 -10.328 1.00 0.00 H new ATOM 658 N ALA A 46 -5.609 -6.688 -11.470 1.00 0.00 N ATOM 659 CA ALA A 46 -6.532 -5.953 -12.331 1.00 0.00 C ATOM 660 C ALA A 46 -7.519 -6.872 -13.034 1.00 0.00 C ATOM 661 O ALA A 46 -8.724 -6.643 -12.959 1.00 0.00 O ATOM 662 CB ALA A 46 -5.758 -5.048 -13.295 1.00 0.00 C ATOM 0 H ALA A 46 -4.626 -6.545 -11.703 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.143 -5.306 -11.702 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.460 -4.507 -13.930 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.161 -4.336 -12.725 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.101 -5.656 -13.917 1.00 0.00 H new ATOM 668 N ASP A 47 -7.035 -7.941 -13.661 1.00 0.00 N ATOM 669 CA ASP A 47 -7.908 -8.823 -14.435 1.00 0.00 C ATOM 670 C ASP A 47 -8.484 -9.960 -13.591 1.00 0.00 C ATOM 671 O ASP A 47 -9.179 -10.828 -14.113 1.00 0.00 O ATOM 672 CB ASP A 47 -7.188 -9.314 -15.701 1.00 0.00 C ATOM 673 CG ASP A 47 -7.994 -8.931 -16.942 1.00 0.00 C ATOM 674 OD1 ASP A 47 -8.296 -7.721 -17.109 1.00 0.00 O ATOM 675 OD2 ASP A 47 -8.299 -9.810 -17.767 1.00 0.00 O ATOM 0 H ASP A 47 -6.053 -8.217 -13.650 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.773 -8.245 -14.759 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.191 -8.876 -15.755 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.060 -10.396 -15.660 1.00 0.00 H new ATOM 680 N GLN A 48 -8.212 -9.981 -12.281 1.00 0.00 N ATOM 681 CA GLN A 48 -8.866 -10.918 -11.372 1.00 0.00 C ATOM 682 C GLN A 48 -10.348 -10.550 -11.188 1.00 0.00 C ATOM 683 O GLN A 48 -11.153 -11.445 -10.911 1.00 0.00 O ATOM 684 CB GLN A 48 -8.113 -10.975 -10.031 1.00 0.00 C ATOM 685 CG GLN A 48 -6.753 -11.661 -10.097 1.00 0.00 C ATOM 686 CD GLN A 48 -6.842 -13.156 -10.302 1.00 0.00 C ATOM 687 OE1 GLN A 48 -6.918 -13.927 -9.349 1.00 0.00 O ATOM 688 NE2 GLN A 48 -6.787 -13.587 -11.541 1.00 0.00 N ATOM 0 H GLN A 48 -7.542 -9.358 -11.830 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.835 -11.917 -11.808 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.975 -9.958 -9.663 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.734 -11.497 -9.302 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.174 -11.224 -10.911 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.208 -11.460 -9.174 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.724 -12.920 -12.311 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.807 -14.588 -11.734 1.00 0.00 H new ATOM 697 N GLY A 49 -10.721 -9.277 -11.388 1.00 0.00 N ATOM 698 CA GLY A 49 -12.106 -8.815 -11.384 1.00 0.00 C ATOM 699 C GLY A 49 -12.240 -7.372 -10.904 1.00 0.00 C ATOM 700 O GLY A 49 -12.961 -6.567 -11.495 1.00 0.00 O ATOM 0 H GLY A 49 -10.050 -8.529 -11.560 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.517 -8.899 -12.390 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.700 -9.465 -10.742 1.00 0.00 H new ATOM 704 N ALA A 50 -11.532 -7.054 -9.827 1.00 0.00 N ATOM 705 CA ALA A 50 -11.686 -5.874 -8.990 1.00 0.00 C ATOM 706 C ALA A 50 -10.327 -5.489 -8.367 1.00 0.00 C ATOM 707 O ALA A 50 -9.995 -5.974 -7.284 1.00 0.00 O ATOM 708 CB ALA A 50 -12.730 -6.202 -7.918 1.00 0.00 C ATOM 0 H ALA A 50 -10.782 -7.659 -9.493 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.023 -5.017 -9.573 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.871 -5.337 -7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -13.676 -6.455 -8.397 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.387 -7.048 -7.323 1.00 0.00 H new ATOM 714 N PRO A 51 -9.467 -4.717 -9.047 1.00 0.00 N ATOM 715 CA PRO A 51 -8.175 -4.294 -8.510 1.00 0.00 C ATOM 716 C PRO A 51 -8.309 -3.291 -7.367 1.00 0.00 C ATOM 717 O PRO A 51 -9.058 -2.315 -7.478 1.00 0.00 O ATOM 718 CB PRO A 51 -7.430 -3.621 -9.661 1.00 0.00 C ATOM 719 CG PRO A 51 -8.522 -3.271 -10.673 1.00 0.00 C ATOM 720 CD PRO A 51 -9.637 -4.287 -10.418 1.00 0.00 C ATOM 0 HA PRO A 51 -7.654 -5.164 -8.109 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.901 -2.730 -9.324 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.685 -4.288 -10.096 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.878 -2.250 -10.533 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.150 -3.341 -11.695 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.619 -3.838 -10.569 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.563 -5.130 -11.105 1.00 0.00 H new ATOM 728 N ILE A 52 -7.487 -3.467 -6.330 1.00 0.00 N ATOM 729 CA ILE A 52 -7.209 -2.443 -5.328 1.00 0.00 C ATOM 730 C ILE A 52 -6.527 -1.238 -5.997 1.00 0.00 C ATOM 731 O ILE A 52 -5.403 -1.356 -6.493 1.00 0.00 O ATOM 732 CB ILE A 52 -6.316 -3.011 -4.204 1.00 0.00 C ATOM 733 CG1 ILE A 52 -6.913 -4.302 -3.620 1.00 0.00 C ATOM 734 CG2 ILE A 52 -6.028 -1.949 -3.121 1.00 0.00 C ATOM 735 CD1 ILE A 52 -6.485 -4.722 -2.208 1.00 0.00 C ATOM 0 H ILE A 52 -6.989 -4.341 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.150 -2.119 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.353 -3.278 -4.640 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.998 -4.198 -3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.669 -5.119 -4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.397 -2.382 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.516 -1.099 -3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.967 -1.615 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.989 -5.649 -1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.406 -4.875 -2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.756 -3.940 -1.498 1.00 0.00 H new ATOM 747 N THR A 53 -7.142 -0.057 -5.934 1.00 0.00 N ATOM 748 CA THR A 53 -6.543 1.197 -6.383 1.00 0.00 C ATOM 749 C THR A 53 -6.591 2.176 -5.185 1.00 0.00 C ATOM 750 O THR A 53 -7.664 2.470 -4.648 1.00 0.00 O ATOM 751 CB THR A 53 -7.270 1.701 -7.645 1.00 0.00 C ATOM 752 OG1 THR A 53 -8.604 2.101 -7.391 1.00 0.00 O ATOM 753 CG2 THR A 53 -7.380 0.668 -8.770 1.00 0.00 C ATOM 0 H THR A 53 -8.086 0.056 -5.563 1.00 0.00 H new ATOM 0 HA THR A 53 -5.501 1.082 -6.683 1.00 0.00 H new ATOM 0 HB THR A 53 -6.640 2.536 -7.951 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.668 2.470 -6.485 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.905 1.108 -9.618 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.381 0.361 -9.081 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.932 -0.202 -8.413 1.00 0.00 H new ATOM 761 N LEU A 54 -5.436 2.650 -4.711 1.00 0.00 N ATOM 762 CA LEU A 54 -5.314 3.679 -3.677 1.00 0.00 C ATOM 763 C LEU A 54 -5.712 5.022 -4.278 1.00 0.00 C ATOM 764 O LEU A 54 -5.346 5.319 -5.418 1.00 0.00 O ATOM 765 CB LEU A 54 -3.848 3.809 -3.198 1.00 0.00 C ATOM 766 CG LEU A 54 -3.661 4.033 -1.685 1.00 0.00 C ATOM 767 CD1 LEU A 54 -2.257 4.070 -1.067 1.00 0.00 C ATOM 768 CD2 LEU A 54 -4.659 4.951 -0.962 1.00 0.00 C ATOM 0 H LEU A 54 -4.532 2.317 -5.047 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.953 3.401 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.310 2.905 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.382 4.638 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.970 3.014 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.337 4.238 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.754 3.120 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.682 4.878 -1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.399 5.011 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.621 5.948 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.666 4.547 -1.065 1.00 0.00 H new ATOM 780 N THR A 55 -6.358 5.890 -3.509 1.00 0.00 N ATOM 781 CA THR A 55 -6.524 7.290 -3.869 1.00 0.00 C ATOM 782 C THR A 55 -6.559 8.091 -2.569 1.00 0.00 C ATOM 783 O THR A 55 -7.527 8.019 -1.809 1.00 0.00 O ATOM 784 CB THR A 55 -7.774 7.468 -4.750 1.00 0.00 C ATOM 785 OG1 THR A 55 -7.766 6.507 -5.794 1.00 0.00 O ATOM 786 CG2 THR A 55 -7.800 8.848 -5.393 1.00 0.00 C ATOM 0 H THR A 55 -6.782 5.640 -2.616 1.00 0.00 H new ATOM 0 HA THR A 55 -5.696 7.660 -4.474 1.00 0.00 H new ATOM 0 HB THR A 55 -8.648 7.344 -4.110 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.564 6.623 -6.351 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.694 8.945 -6.009 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.811 9.612 -4.615 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.914 8.976 -6.015 1.00 0.00 H new ATOM 794 N LEU A 56 -5.455 8.755 -2.245 1.00 0.00 N ATOM 795 CA LEU A 56 -5.400 9.831 -1.285 1.00 0.00 C ATOM 796 C LEU A 56 -5.845 11.086 -2.036 1.00 0.00 C ATOM 797 O LEU A 56 -5.332 11.361 -3.117 1.00 0.00 O ATOM 798 CB LEU A 56 -3.948 9.962 -0.793 1.00 0.00 C ATOM 799 CG LEU A 56 -3.393 8.798 0.046 1.00 0.00 C ATOM 800 CD1 LEU A 56 -4.423 8.128 0.961 1.00 0.00 C ATOM 801 CD2 LEU A 56 -2.677 7.709 -0.756 1.00 0.00 C ATOM 0 H LEU A 56 -4.548 8.546 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.038 9.665 -0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.305 10.091 -1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.871 10.874 -0.202 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.655 9.311 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.946 7.319 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.820 8.863 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.237 7.725 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.321 6.933 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.369 7.273 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.830 8.145 -1.285 1.00 0.00 H new ATOM 813 N SER A 57 -6.833 11.798 -1.503 1.00 0.00 N ATOM 814 CA SER A 57 -7.359 13.057 -2.015 1.00 0.00 C ATOM 815 C SER A 57 -8.304 13.591 -0.920 1.00 0.00 C ATOM 816 O SER A 57 -8.237 13.144 0.236 1.00 0.00 O ATOM 817 CB SER A 57 -8.063 12.812 -3.371 1.00 0.00 C ATOM 818 OG SER A 57 -8.492 14.009 -3.996 1.00 0.00 O ATOM 0 H SER A 57 -7.314 11.495 -0.656 1.00 0.00 H new ATOM 0 HA SER A 57 -6.585 13.797 -2.218 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.381 12.284 -4.038 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.924 12.161 -3.215 1.00 0.00 H new ATOM 0 HG SER A 57 -8.927 13.796 -4.848 1.00 0.00 H new ATOM 824 N THR A 58 -9.224 14.490 -1.281 1.00 0.00 N ATOM 825 CA THR A 58 -10.292 14.954 -0.409 1.00 0.00 C ATOM 826 C THR A 58 -11.684 14.632 -0.973 1.00 0.00 C ATOM 827 O THR A 58 -12.529 15.520 -1.055 1.00 0.00 O ATOM 828 CB THR A 58 -10.093 16.432 -0.011 1.00 0.00 C ATOM 829 OG1 THR A 58 -10.337 17.314 -1.087 1.00 0.00 O ATOM 830 CG2 THR A 58 -8.691 16.761 0.507 1.00 0.00 C ATOM 0 H THR A 58 -9.242 14.920 -2.206 1.00 0.00 H new ATOM 0 HA THR A 58 -10.235 14.390 0.522 1.00 0.00 H new ATOM 0 HB THR A 58 -10.817 16.571 0.792 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.247 17.177 -1.423 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.637 17.819 0.764 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.480 16.161 1.393 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.956 16.537 -0.266 1.00 0.00 H new ATOM 838 N SER A 59 -11.951 13.383 -1.358 1.00 0.00 N ATOM 839 CA SER A 59 -13.207 12.960 -1.981 1.00 0.00 C ATOM 840 C SER A 59 -14.433 13.261 -1.100 1.00 0.00 C ATOM 841 O SER A 59 -15.470 13.695 -1.616 1.00 0.00 O ATOM 842 CB SER A 59 -13.081 11.473 -2.333 1.00 0.00 C ATOM 843 OG SER A 59 -14.202 10.964 -3.019 1.00 0.00 O ATOM 0 H SER A 59 -11.285 12.619 -1.243 1.00 0.00 H new ATOM 0 HA SER A 59 -13.377 13.535 -2.891 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.192 11.326 -2.946 1.00 0.00 H new ATOM 0 HB3 SER A 59 -12.934 10.901 -1.417 1.00 0.00 H new ATOM 0 HG SER A 59 -14.061 10.014 -3.216 1.00 0.00 H new ATOM 849 N THR A 60 -14.325 13.069 0.221 1.00 0.00 N ATOM 850 CA THR A 60 -15.367 13.435 1.179 1.00 0.00 C ATOM 851 C THR A 60 -15.331 14.929 1.540 1.00 0.00 C ATOM 852 O THR A 60 -16.242 15.429 2.198 1.00 0.00 O ATOM 853 CB THR A 60 -15.277 12.533 2.423 1.00 0.00 C ATOM 854 OG1 THR A 60 -16.495 12.553 3.122 1.00 0.00 O ATOM 855 CG2 THR A 60 -14.144 12.910 3.385 1.00 0.00 C ATOM 0 H THR A 60 -13.502 12.651 0.655 1.00 0.00 H new ATOM 0 HA THR A 60 -16.335 13.270 0.706 1.00 0.00 H new ATOM 0 HB THR A 60 -15.056 11.533 2.049 1.00 0.00 H new ATOM 0 HG1 THR A 60 -16.887 13.450 3.070 1.00 0.00 H new ATOM 0 HG21 THR A 60 -14.147 12.228 4.235 1.00 0.00 H new ATOM 0 HG22 THR A 60 -13.188 12.839 2.867 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.291 13.931 3.738 1.00 0.00 H new ATOM 863 N GLY A 61 -14.281 15.652 1.154 1.00 0.00 N ATOM 864 CA GLY A 61 -14.037 17.037 1.522 1.00 0.00 C ATOM 865 C GLY A 61 -12.907 17.191 2.538 1.00 0.00 C ATOM 866 O GLY A 61 -12.436 18.313 2.723 1.00 0.00 O ATOM 0 H GLY A 61 -13.551 15.270 0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.794 17.608 0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.951 17.465 1.935 1.00 0.00 H new ATOM 870 N GLN A 62 -12.433 16.109 3.169 1.00 0.00 N ATOM 871 CA GLN A 62 -11.232 16.098 4.005 1.00 0.00 C ATOM 872 C GLN A 62 -10.218 15.105 3.454 1.00 0.00 C ATOM 873 O GLN A 62 -10.625 14.201 2.722 1.00 0.00 O ATOM 874 CB GLN A 62 -11.560 15.670 5.427 1.00 0.00 C ATOM 875 CG GLN A 62 -12.668 16.519 6.056 1.00 0.00 C ATOM 876 CD GLN A 62 -13.905 15.674 6.254 1.00 0.00 C ATOM 877 OE1 GLN A 62 -13.906 14.767 7.087 1.00 0.00 O ATOM 878 NE2 GLN A 62 -14.944 15.912 5.486 1.00 0.00 N ATOM 0 H GLN A 62 -12.887 15.197 3.109 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.827 17.110 4.003 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.865 14.624 5.426 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.661 15.740 6.040 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -12.333 16.921 7.012 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.896 17.370 5.415 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -14.912 16.671 4.805 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -15.783 15.338 5.570 1.00 0.00 H new ATOM 887 N ARG A 63 -8.944 15.213 3.858 1.00 0.00 N ATOM 888 CA ARG A 63 -7.891 14.281 3.465 1.00 0.00 C ATOM 889 C ARG A 63 -8.186 12.881 3.982 1.00 0.00 C ATOM 890 O ARG A 63 -7.879 12.540 5.129 1.00 0.00 O ATOM 891 CB ARG A 63 -6.490 14.766 3.860 1.00 0.00 C ATOM 892 CG ARG A 63 -6.253 15.213 5.303 1.00 0.00 C ATOM 893 CD ARG A 63 -4.760 15.141 5.660 1.00 0.00 C ATOM 894 NE ARG A 63 -3.907 16.027 4.848 1.00 0.00 N ATOM 895 CZ ARG A 63 -3.343 17.174 5.243 1.00 0.00 C ATOM 896 NH1 ARG A 63 -3.668 17.755 6.392 1.00 0.00 N ATOM 897 NH2 ARG A 63 -2.404 17.724 4.492 1.00 0.00 N ATOM 0 H ARG A 63 -8.618 15.959 4.473 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.889 14.238 2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.787 13.962 3.642 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.232 15.600 3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.614 16.233 5.436 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.825 14.581 5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.636 15.398 6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.417 14.113 5.540 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.728 15.736 3.887 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.365 17.327 7.001 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.220 18.630 6.666 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.118 17.274 3.623 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.966 18.598 4.782 1.00 0.00 H new ATOM 911 N HIS A 64 -8.801 12.051 3.152 1.00 0.00 N ATOM 912 CA HIS A 64 -9.145 10.702 3.486 1.00 0.00 C ATOM 913 C HIS A 64 -8.854 9.796 2.290 1.00 0.00 C ATOM 914 O HIS A 64 -8.780 10.232 1.140 1.00 0.00 O ATOM 915 CB HIS A 64 -10.587 10.699 4.001 1.00 0.00 C ATOM 916 CG HIS A 64 -11.648 10.521 2.968 1.00 0.00 C ATOM 917 ND1 HIS A 64 -12.760 9.724 3.074 1.00 0.00 N ATOM 918 CD2 HIS A 64 -11.661 11.121 1.750 1.00 0.00 C ATOM 919 CE1 HIS A 64 -13.405 9.790 1.897 1.00 0.00 C ATOM 920 NE2 HIS A 64 -12.780 10.644 1.068 1.00 0.00 N ATOM 0 H HIS A 64 -9.076 12.317 2.206 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.539 10.290 4.292 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.687 9.902 4.738 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.768 11.639 4.522 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -13.043 9.184 3.891 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.940 11.834 1.379 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -14.299 9.236 1.652 1.00 0.00 H new ATOM 928 N ALA A 65 -8.614 8.529 2.592 1.00 0.00 N ATOM 929 CA ALA A 65 -8.116 7.538 1.663 1.00 0.00 C ATOM 930 C ALA A 65 -9.319 6.880 1.005 1.00 0.00 C ATOM 931 O ALA A 65 -9.892 5.947 1.569 1.00 0.00 O ATOM 932 CB ALA A 65 -7.241 6.543 2.431 1.00 0.00 C ATOM 0 H ALA A 65 -8.768 8.153 3.528 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.496 7.975 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.858 5.789 1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.406 7.072 2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.835 6.059 3.206 1.00 0.00 H new ATOM 938 N SER A 66 -9.741 7.395 -0.144 1.00 0.00 N ATOM 939 CA SER A 66 -10.914 6.931 -0.856 1.00 0.00 C ATOM 940 C SER A 66 -10.497 5.965 -1.973 1.00 0.00 C ATOM 941 O SER A 66 -10.607 6.253 -3.168 1.00 0.00 O ATOM 942 CB SER A 66 -11.687 8.122 -1.400 1.00 0.00 C ATOM 943 OG SER A 66 -10.839 8.979 -2.138 1.00 0.00 O ATOM 0 H SER A 66 -9.262 8.164 -0.613 1.00 0.00 H new ATOM 0 HA SER A 66 -11.570 6.388 -0.176 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.501 7.773 -2.036 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.140 8.673 -0.576 1.00 0.00 H new ATOM 0 HG SER A 66 -10.441 8.483 -2.883 1.00 0.00 H new ATOM 949 N GLY A 67 -9.972 4.813 -1.589 1.00 0.00 N ATOM 950 CA GLY A 67 -9.573 3.791 -2.550 1.00 0.00 C ATOM 951 C GLY A 67 -10.718 2.819 -2.792 1.00 0.00 C ATOM 952 O GLY A 67 -11.619 2.702 -1.961 1.00 0.00 O ATOM 0 H GLY A 67 -9.811 4.559 -0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.280 4.260 -3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.702 3.252 -2.178 1.00 0.00 H new ATOM 956 N PHE A 68 -10.655 2.080 -3.896 1.00 0.00 N ATOM 957 CA PHE A 68 -11.370 0.823 -4.051 1.00 0.00 C ATOM 958 C PHE A 68 -10.410 -0.234 -3.487 1.00 0.00 C ATOM 959 O PHE A 68 -9.276 -0.317 -3.961 1.00 0.00 O ATOM 960 CB PHE A 68 -11.706 0.572 -5.525 1.00 0.00 C ATOM 961 CG PHE A 68 -12.714 -0.543 -5.748 1.00 0.00 C ATOM 962 CD1 PHE A 68 -14.028 -0.455 -5.245 1.00 0.00 C ATOM 963 CD2 PHE A 68 -12.351 -1.672 -6.494 1.00 0.00 C ATOM 964 CE1 PHE A 68 -14.951 -1.496 -5.451 1.00 0.00 C ATOM 965 CE2 PHE A 68 -13.288 -2.681 -6.755 1.00 0.00 C ATOM 966 CZ PHE A 68 -14.580 -2.614 -6.214 1.00 0.00 C ATOM 0 H PHE A 68 -10.102 2.341 -4.712 1.00 0.00 H new ATOM 0 HA PHE A 68 -12.328 0.810 -3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.096 1.492 -5.960 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.788 0.330 -6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -14.330 0.424 -4.694 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -11.343 -1.765 -6.870 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.941 -1.435 -5.024 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -13.012 -3.518 -7.379 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.284 -3.416 -6.383 1.00 0.00 H new ATOM 976 N SER A 69 -10.786 -0.976 -2.445 1.00 0.00 N ATOM 977 CA SER A 69 -10.143 -2.248 -2.125 1.00 0.00 C ATOM 978 C SER A 69 -10.813 -3.318 -2.993 1.00 0.00 C ATOM 979 O SER A 69 -11.773 -3.028 -3.706 1.00 0.00 O ATOM 980 CB SER A 69 -10.247 -2.544 -0.621 1.00 0.00 C ATOM 981 OG SER A 69 -9.486 -3.675 -0.257 1.00 0.00 O ATOM 0 H SER A 69 -11.537 -0.715 -1.806 1.00 0.00 H new ATOM 0 HA SER A 69 -9.075 -2.225 -2.343 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.904 -1.678 -0.055 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.291 -2.707 -0.354 1.00 0.00 H new ATOM 0 HG SER A 69 -8.766 -3.403 0.350 1.00 0.00 H new ATOM 987 N GLY A 70 -10.341 -4.561 -2.925 1.00 0.00 N ATOM 988 CA GLY A 70 -10.471 -5.564 -3.978 1.00 0.00 C ATOM 989 C GLY A 70 -11.862 -6.164 -4.140 1.00 0.00 C ATOM 990 O GLY A 70 -12.024 -7.147 -4.858 1.00 0.00 O ATOM 0 H GLY A 70 -9.841 -4.909 -2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.176 -5.112 -4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.767 -6.371 -3.777 1.00 0.00 H new ATOM 994 N CYS A 71 -12.863 -5.576 -3.488 1.00 0.00 N ATOM 995 CA CYS A 71 -14.181 -5.435 -4.078 1.00 0.00 C ATOM 996 C CYS A 71 -15.018 -4.334 -3.423 1.00 0.00 C ATOM 997 O CYS A 71 -16.202 -4.221 -3.740 1.00 0.00 O ATOM 998 CB CYS A 71 -14.939 -6.753 -3.988 1.00 0.00 C ATOM 999 SG CYS A 71 -15.783 -7.209 -5.519 1.00 0.00 S ATOM 0 H CYS A 71 -12.780 -5.190 -2.548 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.022 -5.152 -5.119 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.241 -7.546 -3.718 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.673 -6.686 -3.185 1.00 0.00 H new ATOM 1004 N ASN A 72 -14.500 -3.569 -2.457 1.00 0.00 N ATOM 1005 CA ASN A 72 -15.274 -2.599 -1.681 1.00 0.00 C ATOM 1006 C ASN A 72 -14.424 -1.347 -1.604 1.00 0.00 C ATOM 1007 O ASN A 72 -13.266 -1.404 -1.196 1.00 0.00 O ATOM 1008 CB ASN A 72 -15.586 -3.073 -0.243 1.00 0.00 C ATOM 1009 CG ASN A 72 -16.233 -4.444 -0.052 1.00 0.00 C ATOM 1010 OD1 ASN A 72 -16.863 -5.023 -1.058 1.00 0.00 O flip ATOM 1011 ND2 ASN A 72 -16.186 -5.021 1.026 1.00 0.00 N flip ATOM 0 H ASN A 72 -13.517 -3.608 -2.189 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.236 -2.444 -2.169 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -14.652 -3.066 0.318 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.239 -2.331 0.216 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.704 -4.590 1.815 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -16.629 -5.933 1.136 1.00 0.00 H new ATOM 1018 N ARG A 73 -14.968 -0.204 -2.008 1.00 0.00 N ATOM 1019 CA ARG A 73 -14.311 1.070 -1.737 1.00 0.00 C ATOM 1020 C ARG A 73 -14.366 1.376 -0.261 1.00 0.00 C ATOM 1021 O ARG A 73 -15.393 1.168 0.385 1.00 0.00 O ATOM 1022 CB ARG A 73 -14.842 2.245 -2.578 1.00 0.00 C ATOM 1023 CG ARG A 73 -16.371 2.314 -2.631 1.00 0.00 C ATOM 1024 CD ARG A 73 -16.950 3.643 -2.124 1.00 0.00 C ATOM 1025 NE ARG A 73 -16.496 4.803 -2.916 1.00 0.00 N ATOM 1026 CZ ARG A 73 -16.563 6.086 -2.529 1.00 0.00 C ATOM 1027 NH1 ARG A 73 -17.205 6.439 -1.419 1.00 0.00 N ATOM 1028 NH2 ARG A 73 -15.950 7.016 -3.245 1.00 0.00 N ATOM 0 H ARG A 73 -15.849 -0.133 -2.517 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.272 0.954 -2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.458 3.179 -2.167 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.454 2.160 -3.593 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.697 2.155 -3.659 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.783 1.499 -2.036 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -18.039 3.594 -2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.663 3.785 -1.082 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.098 4.613 -3.836 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.658 5.729 -0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.244 7.420 -1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.432 6.755 -4.084 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.996 7.994 -2.958 1.00 0.00 H new ATOM 1042 N TYR A 74 -13.253 1.900 0.226 1.00 0.00 N ATOM 1043 CA TYR A 74 -13.024 2.292 1.591 1.00 0.00 C ATOM 1044 C TYR A 74 -12.884 3.804 1.651 1.00 0.00 C ATOM 1045 O TYR A 74 -12.809 4.486 0.624 1.00 0.00 O ATOM 1046 CB TYR A 74 -11.794 1.568 2.142 1.00 0.00 C ATOM 1047 CG TYR A 74 -10.499 1.787 1.374 1.00 0.00 C ATOM 1048 CD1 TYR A 74 -10.159 0.937 0.306 1.00 0.00 C ATOM 1049 CD2 TYR A 74 -9.605 2.803 1.757 1.00 0.00 C ATOM 1050 CE1 TYR A 74 -8.906 1.049 -0.327 1.00 0.00 C ATOM 1051 CE2 TYR A 74 -8.359 2.925 1.131 1.00 0.00 C ATOM 1052 CZ TYR A 74 -7.985 2.026 0.113 1.00 0.00 C ATOM 1053 OH TYR A 74 -6.732 2.088 -0.414 1.00 0.00 O ATOM 0 H TYR A 74 -12.440 2.070 -0.366 1.00 0.00 H new ATOM 0 HA TYR A 74 -13.867 2.007 2.220 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -11.641 1.885 3.174 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -12.005 0.499 2.165 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.865 0.192 -0.031 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.882 3.494 2.540 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.650 0.391 -1.145 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.682 3.711 1.430 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.751 1.770 -1.341 1.00 0.00 H new ATOM 1063 N MET A 75 -12.895 4.331 2.867 1.00 0.00 N ATOM 1064 CA MET A 75 -12.788 5.737 3.186 1.00 0.00 C ATOM 1065 C MET A 75 -12.286 5.845 4.623 1.00 0.00 C ATOM 1066 O MET A 75 -12.634 5.017 5.465 1.00 0.00 O ATOM 1067 CB MET A 75 -14.159 6.406 2.989 1.00 0.00 C ATOM 1068 CG MET A 75 -15.310 5.789 3.802 1.00 0.00 C ATOM 1069 SD MET A 75 -16.837 5.498 2.872 1.00 0.00 S ATOM 1070 CE MET A 75 -16.303 4.111 1.839 1.00 0.00 C ATOM 0 H MET A 75 -12.984 3.751 3.701 1.00 0.00 H new ATOM 0 HA MET A 75 -12.085 6.252 2.531 1.00 0.00 H new ATOM 0 HB2 MET A 75 -14.073 7.460 3.253 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.418 6.363 1.931 1.00 0.00 H new ATOM 0 HG2 MET A 75 -14.971 4.841 4.220 1.00 0.00 H new ATOM 0 HG3 MET A 75 -15.534 6.446 4.642 1.00 0.00 H new ATOM 0 HE1 MET A 75 -17.162 3.483 1.601 1.00 0.00 H new ATOM 0 HE2 MET A 75 -15.865 4.492 0.916 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.560 3.522 2.377 1.00 0.00 H new ATOM 1080 N GLY A 76 -11.494 6.875 4.915 1.00 0.00 N ATOM 1081 CA GLY A 76 -11.126 7.248 6.281 1.00 0.00 C ATOM 1082 C GLY A 76 -9.847 8.083 6.310 1.00 0.00 C ATOM 1083 O GLY A 76 -9.062 8.079 5.358 1.00 0.00 O ATOM 0 H GLY A 76 -11.085 7.481 4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.940 7.812 6.737 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.987 6.348 6.880 1.00 0.00 H new ATOM 1087 N SER A 77 -9.685 8.865 7.370 1.00 0.00 N ATOM 1088 CA SER A 77 -9.012 10.166 7.297 1.00 0.00 C ATOM 1089 C SER A 77 -7.527 10.064 7.658 1.00 0.00 C ATOM 1090 O SER A 77 -7.177 9.613 8.756 1.00 0.00 O ATOM 1091 CB SER A 77 -9.758 11.167 8.176 1.00 0.00 C ATOM 1092 OG SER A 77 -11.103 11.276 7.741 1.00 0.00 O ATOM 0 H SER A 77 -10.014 8.621 8.304 1.00 0.00 H new ATOM 0 HA SER A 77 -9.038 10.522 6.267 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.727 10.845 9.217 1.00 0.00 H new ATOM 0 HB3 SER A 77 -9.270 12.141 8.129 1.00 0.00 H new ATOM 0 HG SER A 77 -11.579 11.918 8.308 1.00 0.00 H new ATOM 1098 N TYR A 78 -6.639 10.442 6.734 1.00 0.00 N ATOM 1099 CA TYR A 78 -5.205 10.194 6.867 1.00 0.00 C ATOM 1100 C TYR A 78 -4.453 11.419 7.398 1.00 0.00 C ATOM 1101 O TYR A 78 -5.018 12.504 7.535 1.00 0.00 O ATOM 1102 CB TYR A 78 -4.607 9.646 5.562 1.00 0.00 C ATOM 1103 CG TYR A 78 -4.613 10.587 4.374 1.00 0.00 C ATOM 1104 CD1 TYR A 78 -3.587 11.537 4.202 1.00 0.00 C ATOM 1105 CD2 TYR A 78 -5.644 10.497 3.427 1.00 0.00 C ATOM 1106 CE1 TYR A 78 -3.633 12.446 3.132 1.00 0.00 C ATOM 1107 CE2 TYR A 78 -5.689 11.386 2.340 1.00 0.00 C ATOM 1108 CZ TYR A 78 -4.698 12.379 2.204 1.00 0.00 C ATOM 1109 OH TYR A 78 -4.912 13.407 1.348 1.00 0.00 O ATOM 0 H TYR A 78 -6.896 10.928 5.875 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.076 9.417 7.620 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.577 9.347 5.757 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.154 8.744 5.287 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.761 11.567 4.897 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.407 9.740 3.534 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.860 13.191 3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.481 11.309 1.610 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.744 13.108 0.430 1.00 0.00 H new ATOM 1119 N ALA A 79 -3.174 11.221 7.723 1.00 0.00 N ATOM 1120 CA ALA A 79 -2.239 12.217 8.223 1.00 0.00 C ATOM 1121 C ALA A 79 -0.834 11.801 7.796 1.00 0.00 C ATOM 1122 O ALA A 79 -0.545 10.602 7.779 1.00 0.00 O ATOM 1123 CB ALA A 79 -2.300 12.238 9.754 1.00 0.00 C ATOM 0 H ALA A 79 -2.742 10.301 7.637 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.488 13.203 7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.601 12.983 10.136 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.311 12.491 10.074 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.031 11.256 10.142 1.00 0.00 H new ATOM 1129 N LEU A 80 0.041 12.768 7.498 1.00 0.00 N ATOM 1130 CA LEU A 80 1.466 12.560 7.259 1.00 0.00 C ATOM 1131 C LEU A 80 2.185 13.345 8.348 1.00 0.00 C ATOM 1132 O LEU A 80 1.978 14.564 8.434 1.00 0.00 O ATOM 1133 CB LEU A 80 1.933 13.077 5.882 1.00 0.00 C ATOM 1134 CG LEU A 80 1.199 12.626 4.609 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.826 11.148 4.660 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -0.008 13.496 4.267 1.00 0.00 C ATOM 0 H LEU A 80 -0.236 13.746 7.415 1.00 0.00 H new ATOM 0 HA LEU A 80 1.683 11.492 7.273 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.893 14.166 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.981 12.800 5.769 1.00 0.00 H new ATOM 0 HG LEU A 80 1.911 12.761 3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.309 10.871 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.730 10.548 4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.172 10.967 5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.480 13.123 3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.725 13.463 5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.317 14.524 4.111 1.00 0.00 H new ATOM 1148 N LYS A 81 2.947 12.676 9.225 1.00 0.00 N ATOM 1149 CA LYS A 81 3.553 13.391 10.377 1.00 0.00 C ATOM 1150 C LYS A 81 4.760 12.748 11.048 1.00 0.00 C ATOM 1151 O LYS A 81 5.269 13.276 12.038 1.00 0.00 O ATOM 1152 CB LYS A 81 2.452 13.565 11.441 1.00 0.00 C ATOM 1153 CG LYS A 81 2.069 12.263 12.163 1.00 0.00 C ATOM 1154 CD LYS A 81 0.777 12.327 12.987 1.00 0.00 C ATOM 1155 CE LYS A 81 0.859 13.211 14.236 1.00 0.00 C ATOM 1156 NZ LYS A 81 1.786 12.694 15.264 1.00 0.00 N ATOM 0 H LYS A 81 3.158 11.679 9.172 1.00 0.00 H new ATOM 0 HA LYS A 81 3.941 14.320 9.960 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.787 14.293 12.180 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.563 13.979 10.965 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.968 11.471 11.421 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.888 11.978 12.823 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.027 12.695 12.350 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.505 11.316 13.291 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.176 14.212 13.943 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.136 13.306 14.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.781 13.329 16.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.483 11.744 15.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.748 12.645 14.871 1.00 0.00 H new ATOM 1170 N ASP A 82 5.210 11.633 10.508 1.00 0.00 N ATOM 1171 CA ASP A 82 6.091 10.674 11.203 1.00 0.00 C ATOM 1172 C ASP A 82 7.220 10.134 10.321 1.00 0.00 C ATOM 1173 O ASP A 82 7.859 9.121 10.627 1.00 0.00 O ATOM 1174 CB ASP A 82 5.252 9.490 11.716 1.00 0.00 C ATOM 1175 CG ASP A 82 4.380 9.725 12.937 1.00 0.00 C ATOM 1176 OD1 ASP A 82 4.857 10.309 13.937 1.00 0.00 O ATOM 1177 OD2 ASP A 82 3.207 9.289 12.860 1.00 0.00 O ATOM 0 H ASP A 82 4.978 11.349 9.556 1.00 0.00 H new ATOM 0 HA ASP A 82 6.557 11.218 12.025 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.608 9.156 10.902 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.932 8.669 11.942 1.00 0.00 H new ATOM 1182 N GLY A 83 7.405 10.709 9.142 1.00 0.00 N ATOM 1183 CA GLY A 83 8.075 10.029 8.050 1.00 0.00 C ATOM 1184 C GLY A 83 7.286 8.812 7.562 1.00 0.00 C ATOM 1185 O GLY A 83 7.829 8.025 6.790 1.00 0.00 O ATOM 0 H GLY A 83 7.096 11.655 8.919 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.217 10.724 7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.066 9.712 8.374 1.00 0.00 H new ATOM 1189 N LYS A 84 6.028 8.651 7.994 1.00 0.00 N ATOM 1190 CA LYS A 84 5.049 7.702 7.495 1.00 0.00 C ATOM 1191 C LYS A 84 3.691 8.384 7.383 1.00 0.00 C ATOM 1192 O LYS A 84 3.439 9.429 8.002 1.00 0.00 O ATOM 1193 CB LYS A 84 4.968 6.454 8.394 1.00 0.00 C ATOM 1194 CG LYS A 84 4.397 6.734 9.790 1.00 0.00 C ATOM 1195 CD LYS A 84 3.790 5.536 10.519 1.00 0.00 C ATOM 1196 CE LYS A 84 3.242 6.035 11.866 1.00 0.00 C ATOM 1197 NZ LYS A 84 2.206 5.159 12.447 1.00 0.00 N ATOM 0 H LYS A 84 5.652 9.222 8.751 1.00 0.00 H new ATOM 0 HA LYS A 84 5.361 7.365 6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.350 5.703 7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.966 6.027 8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.193 7.146 10.410 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.632 7.505 9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.993 5.090 9.924 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.542 4.763 10.675 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.067 6.125 12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.827 7.034 11.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.306 5.142 13.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.264 5.522 12.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.317 4.195 12.073 1.00 0.00 H new ATOM 1211 N LEU A 85 2.827 7.685 6.667 1.00 0.00 N ATOM 1212 CA LEU A 85 1.383 7.825 6.609 1.00 0.00 C ATOM 1213 C LEU A 85 0.815 7.230 7.896 1.00 0.00 C ATOM 1214 O LEU A 85 1.322 6.205 8.348 1.00 0.00 O ATOM 1215 CB LEU A 85 0.892 6.991 5.400 1.00 0.00 C ATOM 1216 CG LEU A 85 -0.281 7.589 4.603 1.00 0.00 C ATOM 1217 CD1 LEU A 85 -0.442 6.839 3.284 1.00 0.00 C ATOM 1218 CD2 LEU A 85 -1.592 7.552 5.381 1.00 0.00 C ATOM 0 H LEU A 85 3.150 6.936 6.055 1.00 0.00 H new ATOM 0 HA LEU A 85 1.073 8.865 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.731 6.844 4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.597 6.005 5.759 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.046 8.636 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.273 7.265 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.474 6.929 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.642 5.787 3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.387 7.985 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.842 6.519 5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.485 8.125 6.302 1.00 0.00 H new ATOM 1230 N SER A 86 -0.280 7.777 8.419 1.00 0.00 N ATOM 1231 CA SER A 86 -1.215 7.030 9.249 1.00 0.00 C ATOM 1232 C SER A 86 -2.612 7.209 8.675 1.00 0.00 C ATOM 1233 O SER A 86 -3.025 8.325 8.334 1.00 0.00 O ATOM 1234 CB SER A 86 -1.249 7.555 10.674 1.00 0.00 C ATOM 1235 OG SER A 86 0.008 7.600 11.322 1.00 0.00 O ATOM 0 H SER A 86 -0.542 8.753 8.277 1.00 0.00 H new ATOM 0 HA SER A 86 -0.896 5.988 9.259 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.674 8.559 10.666 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.922 6.929 11.260 1.00 0.00 H new ATOM 0 HG SER A 86 -0.105 7.950 12.230 1.00 0.00 H new ATOM 1241 N PHE A 87 -3.368 6.123 8.642 1.00 0.00 N ATOM 1242 CA PHE A 87 -4.796 6.162 8.358 1.00 0.00 C ATOM 1243 C PHE A 87 -5.553 6.438 9.659 1.00 0.00 C ATOM 1244 O PHE A 87 -4.985 6.338 10.747 1.00 0.00 O ATOM 1245 CB PHE A 87 -5.238 4.861 7.664 1.00 0.00 C ATOM 1246 CG PHE A 87 -4.546 4.672 6.323 1.00 0.00 C ATOM 1247 CD1 PHE A 87 -4.976 5.390 5.188 1.00 0.00 C ATOM 1248 CD2 PHE A 87 -3.406 3.854 6.228 1.00 0.00 C ATOM 1249 CE1 PHE A 87 -4.228 5.357 3.997 1.00 0.00 C ATOM 1250 CE2 PHE A 87 -2.651 3.844 5.042 1.00 0.00 C ATOM 1251 CZ PHE A 87 -3.049 4.605 3.932 1.00 0.00 C ATOM 0 H PHE A 87 -3.007 5.184 8.812 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.028 6.970 7.664 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.017 4.011 8.310 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.318 4.877 7.517 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.886 5.969 5.233 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.112 3.236 7.063 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.563 5.912 3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.755 3.244 4.985 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.450 4.610 3.034 1.00 0.00 H new ATOM 1261 N GLY A 88 -6.821 6.828 9.554 1.00 0.00 N ATOM 1262 CA GLY A 88 -7.774 6.835 10.662 1.00 0.00 C ATOM 1263 C GLY A 88 -8.474 5.485 10.692 1.00 0.00 C ATOM 1264 O GLY A 88 -8.084 4.601 9.927 1.00 0.00 O ATOM 0 H GLY A 88 -7.224 7.156 8.676 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.259 7.018 11.605 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.500 7.638 10.534 1.00 0.00 H new ATOM 1268 N THR A 89 -9.509 5.317 11.516 1.00 0.00 N ATOM 1269 CA THR A 89 -10.411 4.178 11.392 1.00 0.00 C ATOM 1270 C THR A 89 -11.006 4.223 9.986 1.00 0.00 C ATOM 1271 O THR A 89 -11.779 5.127 9.657 1.00 0.00 O ATOM 1272 CB THR A 89 -11.500 4.208 12.473 1.00 0.00 C ATOM 1273 OG1 THR A 89 -10.913 4.460 13.729 1.00 0.00 O ATOM 1274 CG2 THR A 89 -12.250 2.875 12.525 1.00 0.00 C ATOM 0 H THR A 89 -9.741 5.957 12.276 1.00 0.00 H new ATOM 0 HA THR A 89 -9.870 3.243 11.540 1.00 0.00 H new ATOM 0 HB THR A 89 -12.208 5.000 12.227 1.00 0.00 H new ATOM 0 HG1 THR A 89 -11.610 4.481 14.418 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.017 2.919 13.298 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.718 2.683 11.560 1.00 0.00 H new ATOM 0 HG23 THR A 89 -11.549 2.072 12.754 1.00 0.00 H new ATOM 1282 N LEU A 90 -10.557 3.322 9.117 1.00 0.00 N ATOM 1283 CA LEU A 90 -11.105 3.166 7.785 1.00 0.00 C ATOM 1284 C LEU A 90 -12.350 2.292 7.885 1.00 0.00 C ATOM 1285 O LEU A 90 -12.459 1.432 8.769 1.00 0.00 O ATOM 1286 CB LEU A 90 -10.082 2.462 6.875 1.00 0.00 C ATOM 1287 CG LEU A 90 -8.753 3.216 6.687 1.00 0.00 C ATOM 1288 CD1 LEU A 90 -7.662 2.298 6.153 1.00 0.00 C ATOM 1289 CD2 LEU A 90 -8.903 4.375 5.706 1.00 0.00 C ATOM 0 H LEU A 90 -9.795 2.676 9.325 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.345 4.144 7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.868 1.476 7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.536 2.306 5.896 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.476 3.592 7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.738 2.863 6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.498 1.481 6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.968 1.892 5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.946 4.885 5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.223 3.992 4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.647 5.076 6.083 1.00 0.00 H new ATOM 1301 N GLY A 91 -13.237 2.427 6.911 1.00 0.00 N ATOM 1302 CA GLY A 91 -14.310 1.485 6.669 1.00 0.00 C ATOM 1303 C GLY A 91 -14.705 1.558 5.205 1.00 0.00 C ATOM 1304 O GLY A 91 -14.301 2.484 4.500 1.00 0.00 O ATOM 0 H GLY A 91 -13.228 3.210 6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.990 0.475 6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.166 1.717 7.303 1.00 0.00 H new ATOM 1308 N GLY A 92 -15.483 0.594 4.729 1.00 0.00 N ATOM 1309 CA GLY A 92 -15.847 0.482 3.328 1.00 0.00 C ATOM 1310 C GLY A 92 -17.264 -0.024 3.151 1.00 0.00 C ATOM 1311 O GLY A 92 -17.976 -0.280 4.125 1.00 0.00 O ATOM 0 H GLY A 92 -15.882 -0.139 5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -15.747 1.455 2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.155 -0.194 2.826 1.00 0.00 H new ATOM 1315 N THR A 93 -17.678 -0.144 1.896 1.00 0.00 N ATOM 1316 CA THR A 93 -18.946 -0.757 1.550 1.00 0.00 C ATOM 1317 C THR A 93 -18.903 -2.257 1.888 1.00 0.00 C ATOM 1318 O THR A 93 -17.847 -2.806 2.210 1.00 0.00 O ATOM 1319 CB THR A 93 -19.253 -0.460 0.070 1.00 0.00 C ATOM 1320 OG1 THR A 93 -18.199 -0.836 -0.795 1.00 0.00 O ATOM 1321 CG2 THR A 93 -19.485 1.039 -0.145 1.00 0.00 C ATOM 0 H THR A 93 -17.141 0.182 1.092 1.00 0.00 H new ATOM 0 HA THR A 93 -19.765 -0.338 2.135 1.00 0.00 H new ATOM 0 HB THR A 93 -20.143 -1.044 -0.164 1.00 0.00 H new ATOM 0 HG1 THR A 93 -17.533 -0.118 -0.830 1.00 0.00 H new ATOM 0 HG21 THR A 93 -19.700 1.227 -1.197 1.00 0.00 H new ATOM 0 HG22 THR A 93 -20.329 1.367 0.462 1.00 0.00 H new ATOM 0 HG23 THR A 93 -18.591 1.591 0.147 1.00 0.00 H new ATOM 1329 N ARG A 94 -20.043 -2.940 1.782 1.00 0.00 N ATOM 1330 CA ARG A 94 -20.125 -4.395 1.858 1.00 0.00 C ATOM 1331 C ARG A 94 -20.722 -4.849 0.539 1.00 0.00 C ATOM 1332 O ARG A 94 -21.934 -5.063 0.445 1.00 0.00 O ATOM 1333 CB ARG A 94 -20.939 -4.864 3.074 1.00 0.00 C ATOM 1334 CG ARG A 94 -20.315 -4.434 4.411 1.00 0.00 C ATOM 1335 CD ARG A 94 -20.584 -5.475 5.510 1.00 0.00 C ATOM 1336 NE ARG A 94 -20.979 -4.864 6.790 1.00 0.00 N ATOM 1337 CZ ARG A 94 -20.236 -4.099 7.597 1.00 0.00 C ATOM 1338 NH1 ARG A 94 -18.942 -3.917 7.376 1.00 0.00 N ATOM 1339 NH2 ARG A 94 -20.820 -3.491 8.621 1.00 0.00 N ATOM 0 H ARG A 94 -20.947 -2.490 1.639 1.00 0.00 H new ATOM 0 HA ARG A 94 -19.141 -4.841 2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -21.950 -4.463 3.005 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -21.024 -5.950 3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.240 -4.301 4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -20.723 -3.469 4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -21.371 -6.152 5.178 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.688 -6.077 5.661 1.00 0.00 H new ATOM 0 HE ARG A 94 -21.934 -5.046 7.098 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.493 -4.365 6.577 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -18.395 -3.329 8.005 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -21.820 -3.611 8.782 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.269 -2.904 9.247 1.00 0.00 H new ATOM 1353 N MET A 95 -19.917 -4.869 -0.524 1.00 0.00 N ATOM 1354 CA MET A 95 -20.395 -5.381 -1.801 1.00 0.00 C ATOM 1355 C MET A 95 -20.417 -6.911 -1.752 1.00 0.00 C ATOM 1356 O MET A 95 -19.723 -7.530 -0.937 1.00 0.00 O ATOM 1357 CB MET A 95 -19.577 -4.841 -2.979 1.00 0.00 C ATOM 1358 CG MET A 95 -19.395 -3.321 -2.924 1.00 0.00 C ATOM 1359 SD MET A 95 -18.832 -2.596 -4.484 1.00 0.00 S ATOM 1360 CE MET A 95 -18.542 -0.891 -3.979 1.00 0.00 C ATOM 0 H MET A 95 -18.951 -4.543 -0.525 1.00 0.00 H new ATOM 0 HA MET A 95 -21.412 -5.026 -1.969 1.00 0.00 H new ATOM 0 HB2 MET A 95 -18.598 -5.320 -2.986 1.00 0.00 H new ATOM 0 HB3 MET A 95 -20.071 -5.110 -3.913 1.00 0.00 H new ATOM 0 HG2 MET A 95 -20.342 -2.861 -2.641 1.00 0.00 H new ATOM 0 HG3 MET A 95 -18.676 -3.079 -2.141 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.345 -0.279 -4.859 1.00 0.00 H new ATOM 0 HE2 MET A 95 -19.423 -0.510 -3.462 1.00 0.00 H new ATOM 0 HE3 MET A 95 -17.683 -0.851 -3.310 1.00 0.00 H new ATOM 1370 N ALA A 96 -21.215 -7.508 -2.634 1.00 0.00 N ATOM 1371 CA ALA A 96 -21.431 -8.938 -2.732 1.00 0.00 C ATOM 1372 C ALA A 96 -20.538 -9.480 -3.839 1.00 0.00 C ATOM 1373 O ALA A 96 -20.748 -9.154 -5.011 1.00 0.00 O ATOM 1374 CB ALA A 96 -22.899 -9.205 -3.049 1.00 0.00 C ATOM 0 H ALA A 96 -21.748 -6.981 -3.326 1.00 0.00 H new ATOM 0 HA ALA A 96 -21.185 -9.432 -1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -23.066 -10.280 -3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -23.523 -8.795 -2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -23.159 -8.731 -3.996 1.00 0.00 H new ATOM 1380 N CYS A 97 -19.538 -10.273 -3.462 1.00 0.00 N ATOM 1381 CA CYS A 97 -18.441 -10.651 -4.341 1.00 0.00 C ATOM 1382 C CYS A 97 -17.974 -12.070 -4.051 1.00 0.00 C ATOM 1383 O CYS A 97 -17.700 -12.445 -2.906 1.00 0.00 O ATOM 1384 CB CYS A 97 -17.290 -9.661 -4.173 1.00 0.00 C ATOM 1385 SG CYS A 97 -17.755 -7.942 -4.547 1.00 0.00 S ATOM 0 H CYS A 97 -19.468 -10.674 -2.527 1.00 0.00 H new ATOM 0 HA CYS A 97 -18.791 -10.623 -5.373 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -16.921 -9.715 -3.149 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -16.468 -9.957 -4.824 1.00 0.00 H new ATOM 1390 N MET A 98 -17.894 -12.857 -5.119 1.00 0.00 N ATOM 1391 CA MET A 98 -17.672 -14.293 -5.110 1.00 0.00 C ATOM 1392 C MET A 98 -16.252 -14.540 -5.597 1.00 0.00 C ATOM 1393 O MET A 98 -16.039 -15.172 -6.639 1.00 0.00 O ATOM 1394 CB MET A 98 -18.718 -14.943 -6.018 1.00 0.00 C ATOM 1395 CG MET A 98 -20.132 -14.724 -5.476 1.00 0.00 C ATOM 1396 SD MET A 98 -21.427 -14.942 -6.712 1.00 0.00 S ATOM 1397 CE MET A 98 -21.309 -13.310 -7.496 1.00 0.00 C ATOM 0 H MET A 98 -17.988 -12.486 -6.065 1.00 0.00 H new ATOM 0 HA MET A 98 -17.777 -14.727 -4.115 1.00 0.00 H new ATOM 0 HB2 MET A 98 -18.642 -14.526 -7.022 1.00 0.00 H new ATOM 0 HB3 MET A 98 -18.519 -16.011 -6.101 1.00 0.00 H new ATOM 0 HG2 MET A 98 -20.307 -15.417 -4.654 1.00 0.00 H new ATOM 0 HG3 MET A 98 -20.201 -13.717 -5.064 1.00 0.00 H new ATOM 0 HE1 MET A 98 -22.075 -13.220 -8.266 1.00 0.00 H new ATOM 0 HE2 MET A 98 -21.456 -12.534 -6.745 1.00 0.00 H new ATOM 0 HE3 MET A 98 -20.324 -13.194 -7.949 1.00 0.00 H new ATOM 1407 N THR A 99 -15.289 -13.936 -4.904 1.00 0.00 N ATOM 1408 CA THR A 99 -13.930 -13.791 -5.388 1.00 0.00 C ATOM 1409 C THR A 99 -12.934 -13.955 -4.238 1.00 0.00 C ATOM 1410 O THR A 99 -13.242 -13.595 -3.095 1.00 0.00 O ATOM 1411 CB THR A 99 -13.765 -12.429 -6.089 1.00 0.00 C ATOM 1412 OG1 THR A 99 -14.043 -11.365 -5.202 1.00 0.00 O ATOM 1413 CG2 THR A 99 -14.707 -12.250 -7.278 1.00 0.00 C ATOM 0 H THR A 99 -15.439 -13.531 -3.980 1.00 0.00 H new ATOM 0 HA THR A 99 -13.723 -14.574 -6.117 1.00 0.00 H new ATOM 0 HB THR A 99 -12.730 -12.414 -6.431 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.930 -10.511 -5.670 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.542 -11.271 -7.729 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.512 -13.027 -8.017 1.00 0.00 H new ATOM 0 HG23 THR A 99 -15.740 -12.323 -6.938 1.00 0.00 H new ATOM 1421 N PRO A 100 -11.715 -14.440 -4.525 1.00 0.00 N ATOM 1422 CA PRO A 100 -10.673 -14.565 -3.519 1.00 0.00 C ATOM 1423 C PRO A 100 -10.152 -13.188 -3.084 1.00 0.00 C ATOM 1424 O PRO A 100 -9.608 -13.052 -1.984 1.00 0.00 O ATOM 1425 CB PRO A 100 -9.603 -15.440 -4.178 1.00 0.00 C ATOM 1426 CG PRO A 100 -9.765 -15.204 -5.678 1.00 0.00 C ATOM 1427 CD PRO A 100 -11.248 -14.883 -5.832 1.00 0.00 C ATOM 0 HA PRO A 100 -11.027 -15.019 -2.594 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -8.604 -15.163 -3.841 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -9.744 -16.491 -3.927 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.139 -14.382 -6.025 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.483 -16.085 -6.255 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.401 -14.107 -6.582 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.802 -15.761 -6.165 1.00 0.00 H new ATOM 1435 N GLY A 101 -10.332 -12.154 -3.911 1.00 0.00 N ATOM 1436 CA GLY A 101 -10.018 -10.772 -3.589 1.00 0.00 C ATOM 1437 C GLY A 101 -11.143 -10.066 -2.841 1.00 0.00 C ATOM 1438 O GLY A 101 -10.905 -9.021 -2.235 1.00 0.00 O ATOM 0 H GLY A 101 -10.712 -12.267 -4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.112 -10.742 -2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.804 -10.229 -4.510 1.00 0.00 H new ATOM 1442 N GLY A 102 -12.351 -10.629 -2.827 1.00 0.00 N ATOM 1443 CA GLY A 102 -13.491 -9.999 -2.183 1.00 0.00 C ATOM 1444 C GLY A 102 -13.352 -10.015 -0.669 1.00 0.00 C ATOM 1445 O GLY A 102 -13.709 -9.036 -0.016 1.00 0.00 O ATOM 0 H GLY A 102 -12.561 -11.528 -3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.584 -8.970 -2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.406 -10.517 -2.471 1.00 0.00 H new ATOM 1449 N GLN A 103 -12.836 -11.111 -0.106 1.00 0.00 N ATOM 1450 CA GLN A 103 -12.784 -11.296 1.340 1.00 0.00 C ATOM 1451 C GLN A 103 -11.461 -10.808 1.946 1.00 0.00 C ATOM 1452 O GLN A 103 -11.456 -10.385 3.101 1.00 0.00 O ATOM 1453 CB GLN A 103 -13.066 -12.761 1.681 1.00 0.00 C ATOM 1454 CG GLN A 103 -14.464 -13.190 1.194 1.00 0.00 C ATOM 1455 CD GLN A 103 -14.929 -14.455 1.904 1.00 0.00 C ATOM 1456 OE1 GLN A 103 -14.175 -15.409 2.055 1.00 0.00 O ATOM 1457 NE2 GLN A 103 -16.143 -14.495 2.415 1.00 0.00 N ATOM 0 H GLN A 103 -12.446 -11.888 -0.639 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.559 -10.677 1.791 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.308 -13.396 1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -12.994 -12.906 2.759 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -15.177 -12.386 1.373 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.441 -13.361 0.118 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -16.774 -13.703 2.292 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -16.451 -15.318 2.933 1.00 0.00 H new ATOM 1466 N ILE A 104 -10.355 -10.787 1.184 1.00 0.00 N ATOM 1467 CA ILE A 104 -9.078 -10.228 1.656 1.00 0.00 C ATOM 1468 C ILE A 104 -9.194 -8.716 1.938 1.00 0.00 C ATOM 1469 O ILE A 104 -8.331 -8.150 2.604 1.00 0.00 O ATOM 1470 CB ILE A 104 -7.929 -10.591 0.692 1.00 0.00 C ATOM 1471 CG1 ILE A 104 -6.562 -10.360 1.366 1.00 0.00 C ATOM 1472 CG2 ILE A 104 -8.006 -9.849 -0.644 1.00 0.00 C ATOM 1473 CD1 ILE A 104 -5.401 -10.817 0.492 1.00 0.00 C ATOM 0 H ILE A 104 -10.320 -11.153 0.233 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.829 -10.686 2.613 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.041 -11.651 0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -6.447 -9.300 1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -6.532 -10.896 2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -7.170 -10.149 -1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -8.944 -10.094 -1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -7.959 -8.775 -0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.460 -10.633 1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.499 -11.883 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.412 -10.263 -0.446 1.00 0.00 H new ATOM 1485 N GLU A 105 -10.263 -8.057 1.473 1.00 0.00 N ATOM 1486 CA GLU A 105 -10.580 -6.674 1.807 1.00 0.00 C ATOM 1487 C GLU A 105 -10.539 -6.464 3.325 1.00 0.00 C ATOM 1488 O GLU A 105 -9.882 -5.527 3.781 1.00 0.00 O ATOM 1489 CB GLU A 105 -11.925 -6.308 1.159 1.00 0.00 C ATOM 1490 CG GLU A 105 -12.341 -4.847 1.388 1.00 0.00 C ATOM 1491 CD GLU A 105 -13.253 -4.599 2.600 1.00 0.00 C ATOM 1492 OE1 GLU A 105 -13.529 -5.534 3.386 1.00 0.00 O ATOM 1493 OE2 GLU A 105 -13.730 -3.450 2.728 1.00 0.00 O ATOM 0 H GLU A 105 -10.941 -8.484 0.842 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.831 -5.993 1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.865 -6.496 0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.700 -6.964 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.440 -4.245 1.505 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.850 -4.488 0.493 1.00 0.00 H new ATOM 1500 N GLY A 106 -11.110 -7.391 4.103 1.00 0.00 N ATOM 1501 CA GLY A 106 -11.116 -7.293 5.554 1.00 0.00 C ATOM 1502 C GLY A 106 -9.697 -7.250 6.120 1.00 0.00 C ATOM 1503 O GLY A 106 -9.420 -6.452 7.022 1.00 0.00 O ATOM 0 H GLY A 106 -11.576 -8.223 3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.657 -6.396 5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.651 -8.145 5.975 1.00 0.00 H new ATOM 1507 N ALA A 107 -8.789 -8.077 5.584 1.00 0.00 N ATOM 1508 CA ALA A 107 -7.402 -8.100 6.019 1.00 0.00 C ATOM 1509 C ALA A 107 -6.684 -6.824 5.586 1.00 0.00 C ATOM 1510 O ALA A 107 -5.813 -6.344 6.309 1.00 0.00 O ATOM 1511 CB ALA A 107 -6.686 -9.319 5.430 1.00 0.00 C ATOM 0 H ALA A 107 -9.002 -8.742 4.841 1.00 0.00 H new ATOM 0 HA ALA A 107 -7.384 -8.163 7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -5.648 -9.327 5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -7.181 -10.230 5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.719 -9.269 4.342 1.00 0.00 H new ATOM 1517 N TYR A 108 -6.988 -6.296 4.400 1.00 0.00 N ATOM 1518 CA TYR A 108 -6.322 -5.126 3.845 1.00 0.00 C ATOM 1519 C TYR A 108 -6.562 -3.911 4.745 1.00 0.00 C ATOM 1520 O TYR A 108 -5.601 -3.248 5.135 1.00 0.00 O ATOM 1521 CB TYR A 108 -6.798 -4.910 2.403 1.00 0.00 C ATOM 1522 CG TYR A 108 -6.289 -3.644 1.744 1.00 0.00 C ATOM 1523 CD1 TYR A 108 -5.039 -3.628 1.095 1.00 0.00 C ATOM 1524 CD2 TYR A 108 -7.082 -2.481 1.764 1.00 0.00 C ATOM 1525 CE1 TYR A 108 -4.598 -2.464 0.438 1.00 0.00 C ATOM 1526 CE2 TYR A 108 -6.649 -1.319 1.108 1.00 0.00 C ATOM 1527 CZ TYR A 108 -5.412 -1.309 0.427 1.00 0.00 C ATOM 1528 OH TYR A 108 -5.008 -0.200 -0.249 1.00 0.00 O ATOM 0 H TYR A 108 -7.714 -6.677 3.793 1.00 0.00 H new ATOM 0 HA TYR A 108 -5.243 -5.279 3.811 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -6.488 -5.765 1.802 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -7.888 -4.893 2.395 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -4.417 -4.511 1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -8.027 -2.483 2.286 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.638 -2.454 -0.057 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -7.263 -0.431 1.124 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.706 0.486 -0.200 1.00 0.00 H new ATOM 1538 N LEU A 109 -7.810 -3.639 5.145 1.00 0.00 N ATOM 1539 CA LEU A 109 -8.078 -2.546 6.081 1.00 0.00 C ATOM 1540 C LEU A 109 -7.403 -2.810 7.431 1.00 0.00 C ATOM 1541 O LEU A 109 -6.953 -1.860 8.072 1.00 0.00 O ATOM 1542 CB LEU A 109 -9.591 -2.344 6.303 1.00 0.00 C ATOM 1543 CG LEU A 109 -10.403 -1.650 5.191 1.00 0.00 C ATOM 1544 CD1 LEU A 109 -9.704 -0.404 4.653 1.00 0.00 C ATOM 1545 CD2 LEU A 109 -10.769 -2.565 4.025 1.00 0.00 C ATOM 0 H LEU A 109 -8.637 -4.153 4.840 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.667 -1.639 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.036 -3.324 6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.719 -1.767 7.219 1.00 0.00 H new ATOM 0 HG LEU A 109 -11.331 -1.359 5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.316 0.048 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.562 0.312 5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.734 -0.681 4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.339 -2.002 3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.859 -2.950 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.371 -3.397 4.390 1.00 0.00 H new ATOM 1557 N ASN A 110 -7.286 -4.071 7.861 1.00 0.00 N ATOM 1558 CA ASN A 110 -6.556 -4.422 9.084 1.00 0.00 C ATOM 1559 C ASN A 110 -5.064 -4.142 8.958 1.00 0.00 C ATOM 1560 O ASN A 110 -4.397 -3.859 9.944 1.00 0.00 O ATOM 1561 CB ASN A 110 -6.708 -5.913 9.397 1.00 0.00 C ATOM 1562 CG ASN A 110 -6.649 -6.179 10.895 1.00 0.00 C ATOM 1563 OD1 ASN A 110 -7.627 -6.635 11.472 1.00 0.00 O ATOM 1564 ND2 ASN A 110 -5.541 -5.886 11.559 1.00 0.00 N ATOM 0 H ASN A 110 -7.691 -4.871 7.375 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.982 -3.808 9.877 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -7.657 -6.274 9.000 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.919 -6.473 8.896 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -5.494 -6.040 12.566 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -4.734 -5.507 11.063 1.00 0.00 H new ATOM 1571 N ALA A 111 -4.516 -4.295 7.760 1.00 0.00 N ATOM 1572 CA ALA A 111 -3.109 -4.090 7.497 1.00 0.00 C ATOM 1573 C ALA A 111 -2.782 -2.600 7.596 1.00 0.00 C ATOM 1574 O ALA A 111 -1.707 -2.232 8.066 1.00 0.00 O ATOM 1575 CB ALA A 111 -2.810 -4.676 6.119 1.00 0.00 C ATOM 0 H ALA A 111 -5.050 -4.569 6.935 1.00 0.00 H new ATOM 0 HA ALA A 111 -2.479 -4.593 8.231 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.754 -4.539 5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -3.047 -5.740 6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.416 -4.168 5.368 1.00 0.00 H new ATOM 1581 N LEU A 112 -3.725 -1.735 7.207 1.00 0.00 N ATOM 1582 CA LEU A 112 -3.586 -0.291 7.342 1.00 0.00 C ATOM 1583 C LEU A 112 -3.498 0.184 8.800 1.00 0.00 C ATOM 1584 O LEU A 112 -3.106 1.332 8.999 1.00 0.00 O ATOM 1585 CB LEU A 112 -4.741 0.438 6.624 1.00 0.00 C ATOM 1586 CG LEU A 112 -4.602 0.764 5.119 1.00 0.00 C ATOM 1587 CD1 LEU A 112 -3.229 0.543 4.473 1.00 0.00 C ATOM 1588 CD2 LEU A 112 -5.642 0.079 4.243 1.00 0.00 C ATOM 0 H LEU A 112 -4.609 -2.024 6.788 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.637 -0.038 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.639 -0.167 6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.914 1.377 7.149 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.766 1.841 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.276 0.811 3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.487 1.166 4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.946 -0.505 4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.480 0.356 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.552 -1.002 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.640 0.392 4.551 1.00 0.00 H new ATOM 1600 N THR A 113 -3.819 -0.632 9.812 1.00 0.00 N ATOM 1601 CA THR A 113 -3.722 -0.192 11.206 1.00 0.00 C ATOM 1602 C THR A 113 -2.273 -0.255 11.723 1.00 0.00 C ATOM 1603 O THR A 113 -1.990 0.231 12.822 1.00 0.00 O ATOM 1604 CB THR A 113 -4.689 -0.994 12.104 1.00 0.00 C ATOM 1605 OG1 THR A 113 -4.239 -2.312 12.337 1.00 0.00 O ATOM 1606 CG2 THR A 113 -6.108 -1.069 11.524 1.00 0.00 C ATOM 0 H THR A 113 -4.145 -1.591 9.692 1.00 0.00 H new ATOM 0 HA THR A 113 -4.024 0.854 11.248 1.00 0.00 H new ATOM 0 HB THR A 113 -4.713 -0.445 13.046 1.00 0.00 H new ATOM 0 HG1 THR A 113 -4.301 -2.830 11.507 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.746 -1.644 12.196 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.510 -0.062 11.415 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.077 -1.555 10.549 1.00 0.00 H new ATOM 1614 N HIS A 114 -1.347 -0.856 10.966 1.00 0.00 N ATOM 1615 CA HIS A 114 -0.044 -1.303 11.453 1.00 0.00 C ATOM 1616 C HIS A 114 1.117 -0.646 10.700 1.00 0.00 C ATOM 1617 O HIS A 114 2.186 -1.245 10.592 1.00 0.00 O ATOM 1618 CB HIS A 114 -0.001 -2.844 11.402 1.00 0.00 C ATOM 1619 CG HIS A 114 -0.734 -3.496 12.544 1.00 0.00 C ATOM 1620 ND1 HIS A 114 -0.368 -3.400 13.866 1.00 0.00 N ATOM 1621 CD2 HIS A 114 -1.805 -4.344 12.464 1.00 0.00 C ATOM 1622 CE1 HIS A 114 -1.190 -4.181 14.581 1.00 0.00 C ATOM 1623 NE2 HIS A 114 -2.075 -4.793 13.766 1.00 0.00 N ATOM 0 H HIS A 114 -1.490 -1.048 9.974 1.00 0.00 H new ATOM 0 HA HIS A 114 0.084 -0.984 12.488 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -0.434 -3.182 10.461 1.00 0.00 H new ATOM 0 HB3 HIS A 114 1.038 -3.173 11.411 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.342 -4.617 11.567 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -1.150 -4.303 15.653 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -2.800 -5.454 14.043 1.00 0.00 H new ATOM 1631 N ILE A 115 0.930 0.556 10.144 1.00 0.00 N ATOM 1632 CA ILE A 115 1.979 1.309 9.475 1.00 0.00 C ATOM 1633 C ILE A 115 2.963 1.735 10.563 1.00 0.00 C ATOM 1634 O ILE A 115 2.783 2.788 11.174 1.00 0.00 O ATOM 1635 CB ILE A 115 1.420 2.535 8.696 1.00 0.00 C ATOM 1636 CG1 ILE A 115 0.095 2.298 7.947 1.00 0.00 C ATOM 1637 CG2 ILE A 115 2.482 3.065 7.718 1.00 0.00 C ATOM 1638 CD1 ILE A 115 0.096 1.118 6.974 1.00 0.00 C ATOM 0 H ILE A 115 0.029 1.034 10.150 1.00 0.00 H new ATOM 0 HA ILE A 115 2.469 0.693 8.721 1.00 0.00 H new ATOM 0 HB ILE A 115 1.186 3.272 9.464 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.695 2.141 8.681 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.158 3.203 7.395 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.083 3.923 7.177 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.370 3.368 8.274 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.748 2.281 7.009 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.882 1.037 6.499 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.858 1.276 6.211 1.00 0.00 H new ATOM 0 HD13 ILE A 115 0.312 0.198 7.518 1.00 0.00 H new ATOM 1650 N ASP A 116 3.989 0.934 10.842 1.00 0.00 N ATOM 1651 CA ASP A 116 5.076 1.392 11.706 1.00 0.00 C ATOM 1652 C ASP A 116 6.178 2.054 10.895 1.00 0.00 C ATOM 1653 O ASP A 116 6.896 2.926 11.393 1.00 0.00 O ATOM 1654 CB ASP A 116 5.661 0.264 12.555 1.00 0.00 C ATOM 1655 CG ASP A 116 6.324 0.842 13.812 1.00 0.00 C ATOM 1656 OD1 ASP A 116 5.821 1.852 14.356 1.00 0.00 O ATOM 1657 OD2 ASP A 116 7.361 0.328 14.280 1.00 0.00 O ATOM 0 H ASP A 116 4.091 -0.018 10.490 1.00 0.00 H new ATOM 0 HA ASP A 116 4.642 2.126 12.384 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.874 -0.435 12.838 1.00 0.00 H new ATOM 0 HB3 ASP A 116 6.392 -0.298 11.974 1.00 0.00 H new ATOM 1662 N ARG A 117 6.270 1.664 9.625 1.00 0.00 N ATOM 1663 CA ARG A 117 7.275 2.101 8.660 1.00 0.00 C ATOM 1664 C ARG A 117 6.612 2.464 7.331 1.00 0.00 C ATOM 1665 O ARG A 117 5.439 2.169 7.100 1.00 0.00 O ATOM 1666 CB ARG A 117 8.329 1.007 8.506 1.00 0.00 C ATOM 1667 CG ARG A 117 9.342 1.075 9.655 1.00 0.00 C ATOM 1668 CD ARG A 117 10.662 0.424 9.254 1.00 0.00 C ATOM 1669 NE ARG A 117 11.440 1.228 8.289 1.00 0.00 N ATOM 1670 CZ ARG A 117 12.774 1.220 8.147 1.00 0.00 C ATOM 1671 NH1 ARG A 117 13.523 0.286 8.725 1.00 0.00 N ATOM 1672 NH2 ARG A 117 13.362 2.156 7.411 1.00 0.00 N ATOM 0 H ARG A 117 5.610 0.999 9.221 1.00 0.00 H new ATOM 0 HA ARG A 117 7.774 3.001 9.018 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.848 0.029 8.494 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.844 1.121 7.552 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.514 2.115 9.933 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.936 0.573 10.533 1.00 0.00 H new ATOM 0 HD2 ARG A 117 11.264 0.259 10.148 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.459 -0.555 8.821 1.00 0.00 H new ATOM 0 HE ARG A 117 10.913 1.847 7.673 1.00 0.00 H new ATOM 0 HH11 ARG A 117 13.085 -0.442 9.289 1.00 0.00 H new ATOM 0 HH12 ARG A 117 14.536 0.298 8.605 1.00 0.00 H new ATOM 0 HH21 ARG A 117 12.800 2.876 6.957 1.00 0.00 H new ATOM 0 HH22 ARG A 117 14.376 2.155 7.299 1.00 0.00 H new ATOM 1686 N THR A 118 7.333 3.132 6.436 1.00 0.00 N ATOM 1687 CA THR A 118 6.908 3.463 5.085 1.00 0.00 C ATOM 1688 C THR A 118 8.155 3.768 4.262 1.00 0.00 C ATOM 1689 O THR A 118 9.075 4.423 4.755 1.00 0.00 O ATOM 1690 CB THR A 118 5.959 4.677 5.126 1.00 0.00 C ATOM 1691 OG1 THR A 118 4.686 4.270 5.595 1.00 0.00 O ATOM 1692 CG2 THR A 118 5.728 5.350 3.769 1.00 0.00 C ATOM 0 H THR A 118 8.272 3.472 6.645 1.00 0.00 H new ATOM 0 HA THR A 118 6.368 2.632 4.631 1.00 0.00 H new ATOM 0 HB THR A 118 6.449 5.395 5.783 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.742 3.355 5.941 1.00 0.00 H new ATOM 0 HG21 THR A 118 5.048 6.193 3.892 1.00 0.00 H new ATOM 0 HG22 THR A 118 6.679 5.705 3.372 1.00 0.00 H new ATOM 0 HG23 THR A 118 5.292 4.631 3.076 1.00 0.00 H new ATOM 1700 N GLY A 119 8.118 3.429 2.976 1.00 0.00 N ATOM 1701 CA GLY A 119 8.982 3.961 1.949 1.00 0.00 C ATOM 1702 C GLY A 119 8.135 4.530 0.818 1.00 0.00 C ATOM 1703 O GLY A 119 7.184 3.896 0.361 1.00 0.00 O ATOM 0 H GLY A 119 7.453 2.745 2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.623 4.739 2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.637 3.178 1.568 1.00 0.00 H new ATOM 1707 N VAL A 120 8.526 5.691 0.295 1.00 0.00 N ATOM 1708 CA VAL A 120 8.034 6.190 -0.986 1.00 0.00 C ATOM 1709 C VAL A 120 9.229 6.240 -1.927 1.00 0.00 C ATOM 1710 O VAL A 120 10.360 6.525 -1.509 1.00 0.00 O ATOM 1711 CB VAL A 120 7.332 7.553 -0.848 1.00 0.00 C ATOM 1712 CG1 VAL A 120 6.638 7.918 -2.175 1.00 0.00 C ATOM 1713 CG2 VAL A 120 6.307 7.535 0.296 1.00 0.00 C ATOM 0 H VAL A 120 9.195 6.313 0.750 1.00 0.00 H new ATOM 0 HA VAL A 120 7.268 5.527 -1.387 1.00 0.00 H new ATOM 0 HB VAL A 120 8.085 8.305 -0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 120 6.142 8.883 -2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 120 7.381 7.974 -2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 120 5.899 7.155 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 120 5.827 8.511 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 120 5.553 6.774 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 120 6.813 7.308 1.234 1.00 0.00 H new ATOM 1723 N GLN A 121 8.973 5.940 -3.196 1.00 0.00 N ATOM 1724 CA GLN A 121 9.975 5.796 -4.219 1.00 0.00 C ATOM 1725 C GLN A 121 9.574 6.760 -5.343 1.00 0.00 C ATOM 1726 O GLN A 121 8.970 6.368 -6.339 1.00 0.00 O ATOM 1727 CB GLN A 121 10.022 4.294 -4.579 1.00 0.00 C ATOM 1728 CG GLN A 121 11.376 3.831 -5.103 1.00 0.00 C ATOM 1729 CD GLN A 121 11.750 4.376 -6.471 1.00 0.00 C ATOM 1730 OE1 GLN A 121 12.883 4.815 -6.659 1.00 0.00 O ATOM 1731 NE2 GLN A 121 10.811 4.369 -7.398 1.00 0.00 N ATOM 0 H GLN A 121 8.026 5.787 -3.542 1.00 0.00 H new ATOM 0 HA GLN A 121 10.994 6.064 -3.939 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.765 3.710 -3.695 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.261 4.086 -5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 121 12.146 4.123 -4.388 1.00 0.00 H new ATOM 0 HG3 GLN A 121 11.379 2.742 -5.148 1.00 0.00 H new ATOM 0 HE21 GLN A 121 9.887 3.992 -7.186 1.00 0.00 H new ATOM 0 HE22 GLN A 121 11.009 4.741 -8.327 1.00 0.00 H new ATOM 1740 N MET A 122 9.830 8.056 -5.146 1.00 0.00 N ATOM 1741 CA MET A 122 9.438 9.156 -6.019 1.00 0.00 C ATOM 1742 C MET A 122 10.364 9.353 -7.216 1.00 0.00 C ATOM 1743 O MET A 122 10.463 10.455 -7.754 1.00 0.00 O ATOM 1744 CB MET A 122 9.283 10.435 -5.179 1.00 0.00 C ATOM 1745 CG MET A 122 8.232 10.240 -4.091 1.00 0.00 C ATOM 1746 SD MET A 122 7.296 11.730 -3.683 1.00 0.00 S ATOM 1747 CE MET A 122 6.321 11.792 -5.209 1.00 0.00 C ATOM 0 H MET A 122 10.345 8.379 -4.327 1.00 0.00 H new ATOM 0 HA MET A 122 8.477 8.900 -6.466 1.00 0.00 H new ATOM 0 HB2 MET A 122 10.239 10.697 -4.726 1.00 0.00 H new ATOM 0 HB3 MET A 122 8.997 11.267 -5.823 1.00 0.00 H new ATOM 0 HG2 MET A 122 7.536 9.464 -4.410 1.00 0.00 H new ATOM 0 HG3 MET A 122 8.724 9.876 -3.189 1.00 0.00 H new ATOM 0 HE1 MET A 122 6.506 12.737 -5.721 1.00 0.00 H new ATOM 0 HE2 MET A 122 6.609 10.965 -5.858 1.00 0.00 H new ATOM 0 HE3 MET A 122 5.261 11.711 -4.967 1.00 0.00 H new ATOM 1757 N ARG A 123 11.024 8.295 -7.672 1.00 0.00 N ATOM 1758 CA ARG A 123 11.988 8.326 -8.749 1.00 0.00 C ATOM 1759 C ARG A 123 11.495 7.379 -9.825 1.00 0.00 C ATOM 1760 O ARG A 123 11.439 6.178 -9.587 1.00 0.00 O ATOM 1761 CB ARG A 123 13.331 7.959 -8.127 1.00 0.00 C ATOM 1762 CG ARG A 123 14.443 7.730 -9.156 1.00 0.00 C ATOM 1763 CD ARG A 123 15.800 8.262 -8.696 1.00 0.00 C ATOM 1764 NE ARG A 123 16.364 7.594 -7.502 1.00 0.00 N ATOM 1765 CZ ARG A 123 17.390 6.730 -7.470 1.00 0.00 C ATOM 1766 NH1 ARG A 123 17.865 6.186 -8.583 1.00 0.00 N ATOM 1767 NH2 ARG A 123 17.978 6.414 -6.322 1.00 0.00 N ATOM 0 H ARG A 123 10.893 7.361 -7.283 1.00 0.00 H new ATOM 0 HA ARG A 123 12.110 9.295 -9.233 1.00 0.00 H new ATOM 0 HB2 ARG A 123 13.636 8.754 -7.446 1.00 0.00 H new ATOM 0 HB3 ARG A 123 13.210 7.056 -7.529 1.00 0.00 H new ATOM 0 HG2 ARG A 123 14.527 6.663 -9.360 1.00 0.00 H new ATOM 0 HG3 ARG A 123 14.168 8.213 -10.094 1.00 0.00 H new ATOM 0 HD2 ARG A 123 16.509 8.163 -9.518 1.00 0.00 H new ATOM 0 HD3 ARG A 123 15.703 9.327 -8.485 1.00 0.00 H new ATOM 0 HE ARG A 123 15.926 7.814 -6.608 1.00 0.00 H new ATOM 0 HH11 ARG A 123 17.449 6.423 -9.484 1.00 0.00 H new ATOM 0 HH12 ARG A 123 18.646 5.531 -8.538 1.00 0.00 H new ATOM 0 HH21 ARG A 123 17.651 6.830 -5.450 1.00 0.00 H new ATOM 0 HH22 ARG A 123 18.757 5.756 -6.312 1.00 0.00 H new ATOM 1781 N ALA A 124 11.044 7.932 -10.952 1.00 0.00 N ATOM 1782 CA ALA A 124 10.463 7.187 -12.051 1.00 0.00 C ATOM 1783 C ALA A 124 11.387 6.035 -12.472 1.00 0.00 C ATOM 1784 O ALA A 124 12.553 6.308 -12.791 1.00 0.00 O ATOM 1785 CB ALA A 124 10.185 8.113 -13.227 1.00 0.00 C ATOM 0 H ALA A 124 11.077 8.937 -11.122 1.00 0.00 H new ATOM 0 HA ALA A 124 9.518 6.758 -11.719 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.749 7.541 -14.046 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.489 8.894 -12.919 1.00 0.00 H new ATOM 0 HB3 ALA A 124 11.118 8.569 -13.560 1.00 0.00 H new ATOM 1791 N PRO A 125 10.895 4.786 -12.525 1.00 0.00 N ATOM 1792 CA PRO A 125 9.497 4.394 -12.338 1.00 0.00 C ATOM 1793 C PRO A 125 9.055 4.457 -10.870 1.00 0.00 C ATOM 1794 O PRO A 125 9.653 3.822 -10.003 1.00 0.00 O ATOM 1795 CB PRO A 125 9.404 2.972 -12.902 1.00 0.00 C ATOM 1796 CG PRO A 125 10.816 2.419 -12.708 1.00 0.00 C ATOM 1797 CD PRO A 125 11.694 3.643 -12.931 1.00 0.00 C ATOM 0 HA PRO A 125 8.824 5.081 -12.850 1.00 0.00 H new ATOM 0 HB2 PRO A 125 8.663 2.376 -12.369 1.00 0.00 H new ATOM 0 HB3 PRO A 125 9.115 2.975 -13.953 1.00 0.00 H new ATOM 0 HG2 PRO A 125 10.952 2.000 -11.711 1.00 0.00 H new ATOM 0 HG3 PRO A 125 11.041 1.625 -13.421 1.00 0.00 H new ATOM 0 HD2 PRO A 125 12.610 3.579 -12.344 1.00 0.00 H new ATOM 0 HD3 PRO A 125 11.991 3.726 -13.977 1.00 0.00 H new ATOM 1805 N GLN A 126 8.034 5.270 -10.572 1.00 0.00 N ATOM 1806 CA GLN A 126 7.660 5.562 -9.198 1.00 0.00 C ATOM 1807 C GLN A 126 6.771 4.460 -8.645 1.00 0.00 C ATOM 1808 O GLN A 126 5.814 4.026 -9.297 1.00 0.00 O ATOM 1809 CB GLN A 126 6.938 6.905 -9.043 1.00 0.00 C ATOM 1810 CG GLN A 126 7.780 8.110 -9.487 1.00 0.00 C ATOM 1811 CD GLN A 126 7.290 9.423 -8.876 1.00 0.00 C ATOM 1812 OE1 GLN A 126 6.383 9.453 -8.051 1.00 0.00 O ATOM 1813 NE2 GLN A 126 7.890 10.543 -9.230 1.00 0.00 N ATOM 0 H GLN A 126 7.456 5.735 -11.272 1.00 0.00 H new ATOM 0 HA GLN A 126 8.593 5.620 -8.637 1.00 0.00 H new ATOM 0 HB2 GLN A 126 6.017 6.882 -9.625 1.00 0.00 H new ATOM 0 HB3 GLN A 126 6.653 7.036 -7.999 1.00 0.00 H new ATOM 0 HG2 GLN A 126 8.820 7.947 -9.204 1.00 0.00 H new ATOM 0 HG3 GLN A 126 7.754 8.187 -10.574 1.00 0.00 H new ATOM 0 HE21 GLN A 126 8.645 10.522 -9.916 1.00 0.00 H new ATOM 0 HE22 GLN A 126 7.599 11.430 -8.818 1.00 0.00 H new ATOM 1822 N GLN A 127 7.045 4.081 -7.401 1.00 0.00 N ATOM 1823 CA GLN A 127 6.309 3.084 -6.650 1.00 0.00 C ATOM 1824 C GLN A 127 6.242 3.558 -5.193 1.00 0.00 C ATOM 1825 O GLN A 127 6.841 4.568 -4.808 1.00 0.00 O ATOM 1826 CB GLN A 127 6.970 1.689 -6.784 1.00 0.00 C ATOM 1827 CG GLN A 127 7.242 1.244 -8.236 1.00 0.00 C ATOM 1828 CD GLN A 127 7.603 -0.241 -8.371 1.00 0.00 C ATOM 1829 OE1 GLN A 127 8.766 -0.633 -8.259 1.00 0.00 O ATOM 1830 NE2 GLN A 127 6.646 -1.112 -8.645 1.00 0.00 N ATOM 0 H GLN A 127 7.820 4.480 -6.871 1.00 0.00 H new ATOM 0 HA GLN A 127 5.298 2.974 -7.042 1.00 0.00 H new ATOM 0 HB2 GLN A 127 7.913 1.694 -6.237 1.00 0.00 H new ATOM 0 HB3 GLN A 127 6.328 0.950 -6.306 1.00 0.00 H new ATOM 0 HG2 GLN A 127 6.359 1.450 -8.841 1.00 0.00 H new ATOM 0 HG3 GLN A 127 8.055 1.845 -8.644 1.00 0.00 H new ATOM 0 HE21 GLN A 127 5.681 -0.796 -8.739 1.00 0.00 H new ATOM 0 HE22 GLN A 127 6.873 -2.099 -8.762 1.00 0.00 H new ATOM 1839 N MET A 128 5.530 2.810 -4.371 1.00 0.00 N ATOM 1840 CA MET A 128 5.432 2.955 -2.933 1.00 0.00 C ATOM 1841 C MET A 128 5.735 1.584 -2.354 1.00 0.00 C ATOM 1842 O MET A 128 5.552 0.566 -3.037 1.00 0.00 O ATOM 1843 CB MET A 128 3.997 3.347 -2.585 1.00 0.00 C ATOM 1844 CG MET A 128 3.813 4.078 -1.255 1.00 0.00 C ATOM 1845 SD MET A 128 3.294 3.020 0.112 1.00 0.00 S ATOM 1846 CE MET A 128 1.639 2.664 -0.535 1.00 0.00 C ATOM 0 H MET A 128 4.967 2.032 -4.715 1.00 0.00 H new ATOM 0 HA MET A 128 6.113 3.712 -2.544 1.00 0.00 H new ATOM 0 HB2 MET A 128 3.609 3.980 -3.383 1.00 0.00 H new ATOM 0 HB3 MET A 128 3.387 2.444 -2.570 1.00 0.00 H new ATOM 0 HG2 MET A 128 4.752 4.562 -0.987 1.00 0.00 H new ATOM 0 HG3 MET A 128 3.074 4.868 -1.388 1.00 0.00 H new ATOM 0 HE1 MET A 128 1.117 1.994 0.149 1.00 0.00 H new ATOM 0 HE2 MET A 128 1.078 3.594 -0.631 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.725 2.190 -1.513 1.00 0.00 H new ATOM 1856 N GLN A 129 6.158 1.533 -1.095 1.00 0.00 N ATOM 1857 CA GLN A 129 6.246 0.271 -0.395 1.00 0.00 C ATOM 1858 C GLN A 129 6.142 0.546 1.095 1.00 0.00 C ATOM 1859 O GLN A 129 6.997 1.214 1.677 1.00 0.00 O ATOM 1860 CB GLN A 129 7.528 -0.466 -0.806 1.00 0.00 C ATOM 1861 CG GLN A 129 7.241 -1.948 -1.074 1.00 0.00 C ATOM 1862 CD GLN A 129 8.384 -2.649 -1.792 1.00 0.00 C ATOM 1863 OE1 GLN A 129 8.960 -3.691 -1.228 1.00 0.00 O flip ATOM 1864 NE2 GLN A 129 8.770 -2.260 -2.889 1.00 0.00 N flip ATOM 0 H GLN A 129 6.441 2.347 -0.549 1.00 0.00 H new ATOM 0 HA GLN A 129 5.426 -0.396 -0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 129 7.948 -0.005 -1.700 1.00 0.00 H new ATOM 0 HB3 GLN A 129 8.275 -0.372 -0.018 1.00 0.00 H new ATOM 0 HG2 GLN A 129 7.048 -2.453 -0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 129 6.334 -2.035 -1.672 1.00 0.00 H new ATOM 0 HE21 GLN A 129 8.327 -1.454 -3.329 1.00 0.00 H new ATOM 0 HE22 GLN A 129 9.534 -2.743 -3.361 1.00 0.00 H new ATOM 1873 N LEU A 130 5.042 0.106 1.695 1.00 0.00 N ATOM 1874 CA LEU A 130 4.856 0.148 3.139 1.00 0.00 C ATOM 1875 C LEU A 130 5.578 -1.045 3.788 1.00 0.00 C ATOM 1876 O LEU A 130 5.920 -2.020 3.110 1.00 0.00 O ATOM 1877 CB LEU A 130 3.386 0.463 3.557 1.00 0.00 C ATOM 1878 CG LEU A 130 2.318 -0.286 2.785 1.00 0.00 C ATOM 1879 CD1 LEU A 130 2.728 -1.725 2.974 1.00 0.00 C ATOM 1880 CD2 LEU A 130 0.869 -0.104 3.240 1.00 0.00 C ATOM 0 H LEU A 130 4.250 -0.292 1.190 1.00 0.00 H new ATOM 0 HA LEU A 130 5.353 1.016 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 130 3.271 0.237 4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.213 1.533 3.439 1.00 0.00 H new ATOM 0 HG LEU A 130 2.286 0.088 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.024 -2.375 2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.728 -1.875 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 130 2.729 -1.966 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.211 -0.694 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.768 -0.436 4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.595 0.949 3.169 1.00 0.00 H new ATOM 1892 N VAL A 131 5.786 -0.977 5.103 1.00 0.00 N ATOM 1893 CA VAL A 131 6.183 -2.104 5.936 1.00 0.00 C ATOM 1894 C VAL A 131 5.306 -1.998 7.174 1.00 0.00 C ATOM 1895 O VAL A 131 5.137 -0.908 7.733 1.00 0.00 O ATOM 1896 CB VAL A 131 7.685 -2.095 6.290 1.00 0.00 C ATOM 1897 CG1 VAL A 131 8.083 -3.297 7.153 1.00 0.00 C ATOM 1898 CG2 VAL A 131 8.564 -2.111 5.047 1.00 0.00 C ATOM 0 H VAL A 131 5.679 -0.110 5.630 1.00 0.00 H new ATOM 0 HA VAL A 131 6.045 -3.049 5.411 1.00 0.00 H new ATOM 0 HB VAL A 131 7.842 -1.171 6.847 1.00 0.00 H new ATOM 0 HG11 VAL A 131 9.149 -3.247 7.377 1.00 0.00 H new ATOM 0 HG12 VAL A 131 7.516 -3.280 8.084 1.00 0.00 H new ATOM 0 HG13 VAL A 131 7.868 -4.219 6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 131 9.613 -2.104 5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 131 8.357 -3.010 4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 131 8.352 -1.231 4.440 1.00 0.00 H new ATOM 1908 N LEU A 132 4.685 -3.111 7.547 1.00 0.00 N ATOM 1909 CA LEU A 132 3.877 -3.163 8.751 1.00 0.00 C ATOM 1910 C LEU A 132 4.790 -3.404 9.952 1.00 0.00 C ATOM 1911 O LEU A 132 5.906 -3.903 9.802 1.00 0.00 O ATOM 1912 CB LEU A 132 2.803 -4.261 8.678 1.00 0.00 C ATOM 1913 CG LEU A 132 1.894 -4.265 7.433 1.00 0.00 C ATOM 1914 CD1 LEU A 132 0.692 -5.178 7.708 1.00 0.00 C ATOM 1915 CD2 LEU A 132 1.357 -2.898 6.992 1.00 0.00 C ATOM 0 H LEU A 132 4.728 -3.989 7.029 1.00 0.00 H new ATOM 0 HA LEU A 132 3.357 -2.210 8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.302 -5.228 8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.169 -4.175 9.561 1.00 0.00 H new ATOM 0 HG LEU A 132 2.528 -4.614 6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 132 0.038 -5.192 6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.043 -6.189 7.914 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.140 -4.803 8.569 1.00 0.00 H new ATOM 0 HD21 LEU A 132 0.731 -3.021 6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.766 -2.462 7.798 1.00 0.00 H new ATOM 0 HD23 LEU A 132 2.192 -2.238 6.756 1.00 0.00 H new ATOM 1927 N ASP A 133 4.283 -3.176 11.160 1.00 0.00 N ATOM 1928 CA ASP A 133 4.977 -3.480 12.417 1.00 0.00 C ATOM 1929 C ASP A 133 5.418 -4.947 12.480 1.00 0.00 C ATOM 1930 O ASP A 133 6.521 -5.265 12.922 1.00 0.00 O ATOM 1931 CB ASP A 133 4.039 -3.167 13.586 1.00 0.00 C ATOM 1932 CG ASP A 133 4.709 -3.248 14.957 1.00 0.00 C ATOM 1933 OD1 ASP A 133 5.955 -3.207 15.068 1.00 0.00 O ATOM 1934 OD2 ASP A 133 3.946 -3.242 15.947 1.00 0.00 O ATOM 0 H ASP A 133 3.359 -2.766 11.300 1.00 0.00 H new ATOM 0 HA ASP A 133 5.876 -2.866 12.475 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.629 -2.166 13.452 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.199 -3.862 13.561 1.00 0.00 H new ATOM 1939 N ASN A 134 4.592 -5.851 11.949 1.00 0.00 N ATOM 1940 CA ASN A 134 4.855 -7.281 11.912 1.00 0.00 C ATOM 1941 C ASN A 134 5.802 -7.660 10.772 1.00 0.00 C ATOM 1942 O ASN A 134 6.346 -8.764 10.813 1.00 0.00 O ATOM 1943 CB ASN A 134 3.539 -8.065 11.807 1.00 0.00 C ATOM 1944 CG ASN A 134 2.724 -7.695 10.574 1.00 0.00 C ATOM 1945 OD1 ASN A 134 3.184 -7.773 9.444 1.00 0.00 O ATOM 1946 ND2 ASN A 134 1.517 -7.207 10.764 1.00 0.00 N ATOM 0 H ASN A 134 3.701 -5.597 11.523 1.00 0.00 H new ATOM 0 HA ASN A 134 5.351 -7.547 12.845 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.759 -9.132 11.784 1.00 0.00 H new ATOM 0 HB3 ASN A 134 2.941 -7.882 12.700 1.00 0.00 H new ATOM 0 HD21 ASN A 134 0.963 -6.893 9.967 1.00 0.00 H new ATOM 0 HD22 ASN A 134 1.136 -7.143 11.708 1.00 0.00 H new ATOM 1953 N GLY A 135 6.036 -6.773 9.800 1.00 0.00 N ATOM 1954 CA GLY A 135 7.003 -6.957 8.729 1.00 0.00 C ATOM 1955 C GLY A 135 6.388 -7.214 7.353 1.00 0.00 C ATOM 1956 O GLY A 135 7.119 -7.227 6.357 1.00 0.00 O ATOM 0 H GLY A 135 5.540 -5.884 9.741 1.00 0.00 H new ATOM 0 HA2 GLY A 135 7.634 -6.070 8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 135 7.653 -7.794 8.984 1.00 0.00 H new ATOM 1960 N ASP A 136 5.068 -7.404 7.252 1.00 0.00 N ATOM 1961 CA ASP A 136 4.375 -7.537 5.969 1.00 0.00 C ATOM 1962 C ASP A 136 4.700 -6.311 5.106 1.00 0.00 C ATOM 1963 O ASP A 136 4.872 -5.204 5.619 1.00 0.00 O ATOM 1964 CB ASP A 136 2.855 -7.661 6.162 1.00 0.00 C ATOM 1965 CG ASP A 136 2.335 -9.072 6.429 1.00 0.00 C ATOM 1966 OD1 ASP A 136 2.982 -9.886 7.120 1.00 0.00 O ATOM 1967 OD2 ASP A 136 1.232 -9.400 5.929 1.00 0.00 O ATOM 0 H ASP A 136 4.450 -7.470 8.061 1.00 0.00 H new ATOM 0 HA ASP A 136 4.716 -8.447 5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 136 2.559 -7.021 6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 136 2.361 -7.274 5.271 1.00 0.00 H new ATOM 1972 N THR A 137 4.822 -6.498 3.794 1.00 0.00 N ATOM 1973 CA THR A 137 5.374 -5.532 2.854 1.00 0.00 C ATOM 1974 C THR A 137 4.463 -5.492 1.628 1.00 0.00 C ATOM 1975 O THR A 137 4.393 -6.474 0.893 1.00 0.00 O ATOM 1976 CB THR A 137 6.797 -5.976 2.473 1.00 0.00 C ATOM 1977 OG1 THR A 137 7.633 -6.116 3.612 1.00 0.00 O ATOM 1978 CG2 THR A 137 7.480 -4.992 1.523 1.00 0.00 C ATOM 0 H THR A 137 4.526 -7.363 3.341 1.00 0.00 H new ATOM 0 HA THR A 137 5.428 -4.535 3.290 1.00 0.00 H new ATOM 0 HB THR A 137 6.669 -6.939 1.978 1.00 0.00 H new ATOM 0 HG1 THR A 137 8.527 -6.401 3.329 1.00 0.00 H new ATOM 0 HG21 THR A 137 8.481 -5.351 1.285 1.00 0.00 H new ATOM 0 HG22 THR A 137 6.897 -4.908 0.606 1.00 0.00 H new ATOM 0 HG23 THR A 137 7.549 -4.014 2.000 1.00 0.00 H new ATOM 1986 N LEU A 138 3.733 -4.401 1.396 1.00 0.00 N ATOM 1987 CA LEU A 138 2.887 -4.262 0.209 1.00 0.00 C ATOM 1988 C LEU A 138 3.544 -3.305 -0.750 1.00 0.00 C ATOM 1989 O LEU A 138 4.276 -2.406 -0.335 1.00 0.00 O ATOM 1990 CB LEU A 138 1.476 -3.754 0.503 1.00 0.00 C ATOM 1991 CG LEU A 138 0.552 -4.807 1.101 1.00 0.00 C ATOM 1992 CD1 LEU A 138 -0.427 -5.321 0.090 1.00 0.00 C ATOM 1993 CD2 LEU A 138 1.133 -5.591 2.271 1.00 0.00 C ATOM 0 H LEU A 138 3.710 -3.594 2.020 1.00 0.00 H new ATOM 0 HA LEU A 138 2.783 -5.263 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 138 1.540 -2.910 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 138 1.035 -3.381 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 138 -0.210 -4.428 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.069 -6.070 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -1.038 -4.496 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 138 0.113 -5.771 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 138 0.398 -6.314 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 138 2.032 -6.116 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 138 1.385 -4.905 3.079 1.00 0.00 H new ATOM 2005 N THR A 139 3.180 -3.468 -2.011 1.00 0.00 N ATOM 2006 CA THR A 139 3.854 -2.858 -3.153 1.00 0.00 C ATOM 2007 C THR A 139 2.814 -2.241 -4.066 1.00 0.00 C ATOM 2008 O THR A 139 1.987 -2.947 -4.647 1.00 0.00 O ATOM 2009 CB THR A 139 4.720 -3.871 -3.918 1.00 0.00 C ATOM 2010 OG1 THR A 139 5.674 -4.447 -3.041 1.00 0.00 O ATOM 2011 CG2 THR A 139 5.451 -3.163 -5.071 1.00 0.00 C ATOM 0 H THR A 139 2.383 -4.045 -2.280 1.00 0.00 H new ATOM 0 HA THR A 139 4.529 -2.085 -2.786 1.00 0.00 H new ATOM 0 HB THR A 139 4.078 -4.655 -4.321 1.00 0.00 H new ATOM 0 HG1 THR A 139 6.222 -5.093 -3.533 1.00 0.00 H new ATOM 0 HG21 THR A 139 6.064 -3.885 -5.611 1.00 0.00 H new ATOM 0 HG22 THR A 139 4.720 -2.727 -5.752 1.00 0.00 H new ATOM 0 HG23 THR A 139 6.088 -2.375 -4.669 1.00 0.00 H new ATOM 2019 N PHE A 140 2.862 -0.917 -4.180 1.00 0.00 N ATOM 2020 CA PHE A 140 1.874 -0.173 -4.931 1.00 0.00 C ATOM 2021 C PHE A 140 2.589 0.673 -5.977 1.00 0.00 C ATOM 2022 O PHE A 140 3.614 1.288 -5.677 1.00 0.00 O ATOM 2023 CB PHE A 140 1.065 0.737 -3.996 1.00 0.00 C ATOM 2024 CG PHE A 140 0.405 0.162 -2.751 1.00 0.00 C ATOM 2025 CD1 PHE A 140 1.169 -0.251 -1.636 1.00 0.00 C ATOM 2026 CD2 PHE A 140 -0.999 0.191 -2.648 1.00 0.00 C ATOM 2027 CE1 PHE A 140 0.534 -0.619 -0.434 1.00 0.00 C ATOM 2028 CE2 PHE A 140 -1.629 -0.196 -1.452 1.00 0.00 C ATOM 2029 CZ PHE A 140 -0.867 -0.604 -0.346 1.00 0.00 C ATOM 0 H PHE A 140 3.586 -0.338 -3.754 1.00 0.00 H new ATOM 0 HA PHE A 140 1.188 -0.868 -5.415 1.00 0.00 H new ATOM 0 HB2 PHE A 140 1.729 1.537 -3.669 1.00 0.00 H new ATOM 0 HB3 PHE A 140 0.280 1.199 -4.594 1.00 0.00 H new ATOM 0 HD1 PHE A 140 2.246 -0.285 -1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 140 -1.594 0.512 -3.490 1.00 0.00 H new ATOM 0 HE1 PHE A 140 1.125 -0.913 0.421 1.00 0.00 H new ATOM 0 HE2 PHE A 140 -2.707 -0.179 -1.384 1.00 0.00 H new ATOM 0 HZ PHE A 140 -1.356 -0.905 0.569 1.00 0.00 H new ATOM 2039 N ASP A 141 2.037 0.757 -7.181 1.00 0.00 N ATOM 2040 CA ASP A 141 2.592 1.552 -8.277 1.00 0.00 C ATOM 2041 C ASP A 141 1.936 2.935 -8.274 1.00 0.00 C ATOM 2042 O ASP A 141 0.743 3.022 -7.997 1.00 0.00 O ATOM 2043 CB ASP A 141 2.300 0.843 -9.606 1.00 0.00 C ATOM 2044 CG ASP A 141 3.528 0.057 -10.043 1.00 0.00 C ATOM 2045 OD1 ASP A 141 3.987 -0.824 -9.284 1.00 0.00 O ATOM 2046 OD2 ASP A 141 4.086 0.396 -11.109 1.00 0.00 O ATOM 0 H ASP A 141 1.177 0.268 -7.431 1.00 0.00 H new ATOM 0 HA ASP A 141 3.669 1.662 -8.153 1.00 0.00 H new ATOM 0 HB2 ASP A 141 1.448 0.173 -9.493 1.00 0.00 H new ATOM 0 HB3 ASP A 141 2.032 1.574 -10.369 1.00 0.00 H new ATOM 2051 N ARG A 142 2.669 4.015 -8.577 1.00 0.00 N ATOM 2052 CA ARG A 142 2.158 5.401 -8.636 1.00 0.00 C ATOM 2053 C ARG A 142 1.147 5.531 -9.783 1.00 0.00 C ATOM 2054 O ARG A 142 1.586 5.358 -10.923 1.00 0.00 O ATOM 2055 CB ARG A 142 3.375 6.325 -8.867 1.00 0.00 C ATOM 2056 CG ARG A 142 3.088 7.823 -9.080 1.00 0.00 C ATOM 2057 CD ARG A 142 2.979 8.622 -7.779 1.00 0.00 C ATOM 2058 NE ARG A 142 2.451 9.974 -8.027 1.00 0.00 N ATOM 2059 CZ ARG A 142 3.054 11.055 -8.537 1.00 0.00 C ATOM 2060 NH1 ARG A 142 4.334 11.052 -8.872 1.00 0.00 N ATOM 2061 NH2 ARG A 142 2.364 12.169 -8.719 1.00 0.00 N ATOM 0 H ARG A 142 3.663 3.952 -8.795 1.00 0.00 H new ATOM 0 HA ARG A 142 1.647 5.675 -7.713 1.00 0.00 H new ATOM 0 HB2 ARG A 142 4.042 6.227 -8.010 1.00 0.00 H new ATOM 0 HB3 ARG A 142 3.918 5.958 -9.738 1.00 0.00 H new ATOM 0 HG2 ARG A 142 3.881 8.252 -9.693 1.00 0.00 H new ATOM 0 HG3 ARG A 142 2.159 7.929 -9.640 1.00 0.00 H new ATOM 0 HD2 ARG A 142 2.328 8.097 -7.080 1.00 0.00 H new ATOM 0 HD3 ARG A 142 3.960 8.692 -7.309 1.00 0.00 H new ATOM 0 HE ARG A 142 1.473 10.108 -7.770 1.00 0.00 H new ATOM 0 HH11 ARG A 142 4.893 10.208 -8.744 1.00 0.00 H new ATOM 0 HH12 ARG A 142 4.762 11.893 -9.258 1.00 0.00 H new ATOM 0 HH21 ARG A 142 1.375 12.203 -8.471 1.00 0.00 H new ATOM 0 HH22 ARG A 142 2.821 12.994 -9.107 1.00 0.00 H new ATOM 2075 N SER A 143 -0.132 5.890 -9.561 1.00 0.00 N ATOM 2076 CA SER A 143 -1.124 5.843 -10.644 1.00 0.00 C ATOM 2077 C SER A 143 -1.820 7.170 -10.875 1.00 0.00 C ATOM 2078 O SER A 143 -3.001 7.237 -11.221 1.00 0.00 O ATOM 2079 CB SER A 143 -2.071 4.685 -10.377 1.00 0.00 C ATOM 2080 OG SER A 143 -2.796 4.272 -11.511 1.00 0.00 O ATOM 0 H SER A 143 -0.494 6.208 -8.662 1.00 0.00 H new ATOM 0 HA SER A 143 -0.617 5.662 -11.592 1.00 0.00 H new ATOM 0 HB2 SER A 143 -1.498 3.840 -9.996 1.00 0.00 H new ATOM 0 HB3 SER A 143 -2.772 4.974 -9.594 1.00 0.00 H new ATOM 0 HG SER A 143 -3.202 5.053 -11.942 1.00 0.00 H new ATOM 2086 N THR A 144 -1.051 8.239 -10.759 1.00 0.00 N ATOM 2087 CA THR A 144 -1.482 9.604 -11.024 1.00 0.00 C ATOM 2088 C THR A 144 -1.609 9.891 -12.526 1.00 0.00 C ATOM 2089 O THR A 144 -1.686 11.062 -12.909 1.00 0.00 O ATOM 2090 CB THR A 144 -0.522 10.550 -10.293 1.00 0.00 C ATOM 2091 OG1 THR A 144 0.816 10.151 -10.513 1.00 0.00 O ATOM 2092 CG2 THR A 144 -0.800 10.490 -8.785 1.00 0.00 C ATOM 0 H THR A 144 -0.075 8.180 -10.468 1.00 0.00 H new ATOM 0 HA THR A 144 -2.489 9.764 -10.640 1.00 0.00 H new ATOM 0 HB THR A 144 -0.672 11.561 -10.671 1.00 0.00 H new ATOM 0 HG1 THR A 144 1.344 10.924 -10.804 1.00 0.00 H new ATOM 0 HG21 THR A 144 -0.119 11.162 -8.262 1.00 0.00 H new ATOM 0 HG22 THR A 144 -1.829 10.794 -8.592 1.00 0.00 H new ATOM 0 HG23 THR A 144 -0.650 9.471 -8.428 1.00 0.00 H new ATOM 2100 N ARG A 145 -1.672 8.839 -13.365 1.00 0.00 N ATOM 2101 CA ARG A 145 -1.933 8.923 -14.801 1.00 0.00 C ATOM 2102 C ARG A 145 -0.842 9.666 -15.571 1.00 0.00 C ATOM 2103 O ARG A 145 -0.859 9.589 -16.816 1.00 0.00 O ATOM 2104 CB ARG A 145 -3.348 9.506 -14.983 1.00 0.00 C ATOM 2105 CG ARG A 145 -4.025 9.162 -16.310 1.00 0.00 C ATOM 2106 CD ARG A 145 -3.944 10.308 -17.332 1.00 0.00 C ATOM 2107 NE ARG A 145 -5.003 10.241 -18.350 1.00 0.00 N ATOM 2108 CZ ARG A 145 -6.300 10.526 -18.181 1.00 0.00 C ATOM 2109 NH1 ARG A 145 -6.770 10.964 -17.018 1.00 0.00 N ATOM 2110 NH2 ARG A 145 -7.137 10.374 -19.198 1.00 0.00 N ATOM 0 H ARG A 145 -1.537 7.880 -13.044 1.00 0.00 H new ATOM 0 HA ARG A 145 -1.901 7.928 -15.245 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -3.978 9.150 -14.168 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -3.292 10.591 -14.892 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -3.558 8.271 -16.731 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -5.071 8.917 -16.127 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -4.010 11.261 -16.808 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -2.972 10.282 -17.824 1.00 0.00 H new ATOM 0 HE ARG A 145 -4.719 9.946 -19.284 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -6.138 11.090 -16.227 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -7.763 11.174 -16.916 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -6.791 10.043 -20.098 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -8.127 10.588 -19.080 1.00 0.00 H new TER 2124 ARG A 145