USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 691 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 66 GLN : amide:sc= 1.03 K(o=2.4,f=-19!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 175:sc= 1.37! (180deg=0.793) USER MOD Set 2.1: A 44 SER OG : rot -124:sc= 0.934 USER MOD Set 2.2: A 45 GLN : amide:sc= 0.944 K(o=1.9,f=-6.9!) USER MOD Set 3.1: A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 9 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 1 GLY N :NH3+ -118:sc= 0.322 (180deg=-3.47!) USER MOD Set 4.2: A 8 HIS : no HE2:sc= 0.881 K(o=1.2,f=-6!) USER MOD Single : A 2 SER OG : rot -150:sc= 0.752 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.534 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0446 USER MOD Single : A 12 THR OG1 : rot -102:sc= 0.0452 USER MOD Single : A 16 THR OG1 : rot 30:sc= -0.331 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 140:sc= -1.46 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 82:sc= 1.31 USER MOD Single : A 51 SER OG : rot 36:sc= 1.25 USER MOD Single : A 58 THR OG1 : rot 154:sc= 1.22 USER MOD Single : A 59 LYS NZ :NH3+ 139:sc= 0.935 (180deg=-1.44!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -171:sc= 1.37 (180deg=1.17) USER MOD Single : A 79 LYS NZ :NH3+ -106:sc= 0.978 (180deg=-1.22!) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -49:sc= 1.22 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HE2:sc= 1.04 K(o=1,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.605 -28.799 -17.133 1.00 3.75 N ATOM 2 CA GLY A 1 -3.205 -28.288 -18.407 1.00 4.17 C ATOM 3 C GLY A 1 -4.248 -27.210 -18.093 1.00 4.26 C ATOM 4 O GLY A 1 -5.242 -27.473 -17.446 1.00 4.32 O ATOM 0 H1 GLY A 1 -1.585 -28.597 -17.124 1.00 3.75 H new ATOM 0 H2 GLY A 1 -3.058 -28.329 -16.323 1.00 3.75 H new ATOM 0 H3 GLY A 1 -2.755 -29.826 -17.066 1.00 3.75 H new ATOM 0 HA2 GLY A 1 -2.425 -27.877 -19.048 1.00 4.17 H new ATOM 0 HA3 GLY A 1 -3.669 -29.108 -18.956 1.00 4.17 H new ATOM 10 N SER A 2 -4.027 -26.001 -18.540 1.00 4.37 N ATOM 11 CA SER A 2 -4.999 -24.904 -18.268 1.00 4.53 C ATOM 12 C SER A 2 -4.972 -23.875 -19.400 1.00 4.89 C ATOM 13 O SER A 2 -4.193 -23.979 -20.330 1.00 4.99 O ATOM 14 CB SER A 2 -4.523 -24.278 -16.955 1.00 4.11 C ATOM 15 OG SER A 2 -5.126 -23.001 -16.770 1.00 4.31 O ATOM 0 H SER A 2 -3.210 -25.726 -19.085 1.00 4.37 H new ATOM 0 HA SER A 2 -6.025 -25.266 -18.201 1.00 4.53 H new ATOM 0 HB2 SER A 2 -4.775 -24.931 -16.120 1.00 4.11 H new ATOM 0 HB3 SER A 2 -3.438 -24.178 -16.964 1.00 4.11 H new ATOM 0 HG SER A 2 -4.520 -22.424 -16.261 1.00 4.31 H new ATOM 21 N MET A 3 -5.814 -22.882 -19.320 1.00 5.15 N ATOM 22 CA MET A 3 -5.840 -21.831 -20.383 1.00 5.56 C ATOM 23 C MET A 3 -5.021 -20.599 -19.956 1.00 5.39 C ATOM 24 O MET A 3 -4.638 -19.793 -20.781 1.00 5.69 O ATOM 25 CB MET A 3 -7.322 -21.485 -20.576 1.00 6.01 C ATOM 26 CG MET A 3 -7.854 -20.702 -19.374 1.00 5.90 C ATOM 27 SD MET A 3 -9.661 -20.668 -19.452 1.00 6.37 S ATOM 28 CE MET A 3 -9.960 -20.229 -17.723 1.00 6.69 C ATOM 0 H MET A 3 -6.487 -22.751 -18.565 1.00 5.15 H new ATOM 0 HA MET A 3 -5.391 -22.179 -21.313 1.00 5.56 H new ATOM 0 HB2 MET A 3 -7.448 -20.896 -21.485 1.00 6.01 H new ATOM 0 HB3 MET A 3 -7.900 -22.400 -20.706 1.00 6.01 H new ATOM 0 HG2 MET A 3 -7.525 -21.168 -18.445 1.00 5.90 H new ATOM 0 HG3 MET A 3 -7.457 -19.687 -19.379 1.00 5.90 H new ATOM 0 HE1 MET A 3 -11.033 -20.154 -17.547 1.00 6.69 H new ATOM 0 HE2 MET A 3 -9.539 -20.997 -17.074 1.00 6.69 H new ATOM 0 HE3 MET A 3 -9.488 -19.271 -17.504 1.00 6.69 H new ATOM 38 N SER A 4 -4.742 -20.448 -18.680 1.00 4.97 N ATOM 39 CA SER A 4 -3.937 -19.272 -18.224 1.00 4.86 C ATOM 40 C SER A 4 -3.063 -19.649 -17.019 1.00 4.31 C ATOM 41 O SER A 4 -1.901 -19.970 -17.170 1.00 4.14 O ATOM 42 CB SER A 4 -4.962 -18.191 -17.864 1.00 5.12 C ATOM 43 OG SER A 4 -5.755 -18.626 -16.762 1.00 4.94 O ATOM 0 H SER A 4 -5.036 -21.086 -17.940 1.00 4.97 H new ATOM 0 HA SER A 4 -3.250 -18.921 -18.994 1.00 4.86 H new ATOM 0 HB2 SER A 4 -4.451 -17.262 -17.612 1.00 5.12 H new ATOM 0 HB3 SER A 4 -5.600 -17.981 -18.723 1.00 5.12 H new ATOM 0 HG SER A 4 -6.408 -17.931 -16.534 1.00 4.94 H new ATOM 49 N ILE A 5 -3.606 -19.612 -15.832 1.00 4.10 N ATOM 50 CA ILE A 5 -2.806 -19.968 -14.623 1.00 3.61 C ATOM 51 C ILE A 5 -3.173 -21.376 -14.115 1.00 3.34 C ATOM 52 O ILE A 5 -3.943 -22.092 -14.737 1.00 3.54 O ATOM 53 CB ILE A 5 -3.129 -18.891 -13.563 1.00 3.69 C ATOM 54 CG1 ILE A 5 -4.644 -18.700 -13.365 1.00 4.04 C ATOM 55 CG2 ILE A 5 -2.528 -17.550 -13.986 1.00 3.96 C ATOM 56 CD1 ILE A 5 -5.257 -19.939 -12.713 1.00 3.91 C ATOM 0 H ILE A 5 -4.574 -19.349 -15.646 1.00 4.10 H new ATOM 0 HA ILE A 5 -1.739 -19.992 -14.846 1.00 3.61 H new ATOM 0 HB ILE A 5 -2.698 -19.234 -12.622 1.00 3.69 H new ATOM 0 HG12 ILE A 5 -4.828 -17.825 -12.742 1.00 4.04 H new ATOM 0 HG13 ILE A 5 -5.122 -18.513 -14.327 1.00 4.04 H new ATOM 0 HG21 ILE A 5 -2.759 -16.795 -13.235 1.00 3.96 H new ATOM 0 HG22 ILE A 5 -1.447 -17.649 -14.080 1.00 3.96 H new ATOM 0 HG23 ILE A 5 -2.949 -17.249 -14.945 1.00 3.96 H new ATOM 0 HD11 ILE A 5 -6.328 -19.788 -12.580 1.00 3.91 H new ATOM 0 HD12 ILE A 5 -5.089 -20.807 -13.351 1.00 3.91 H new ATOM 0 HD13 ILE A 5 -4.791 -20.107 -11.742 1.00 3.91 H new ATOM 68 N MET A 6 -2.619 -21.769 -12.984 1.00 2.96 N ATOM 69 CA MET A 6 -2.906 -23.119 -12.391 1.00 2.78 C ATOM 70 C MET A 6 -2.338 -24.240 -13.258 1.00 2.71 C ATOM 71 O MET A 6 -1.271 -24.750 -12.969 1.00 2.42 O ATOM 72 CB MET A 6 -4.435 -23.200 -12.280 1.00 3.15 C ATOM 73 CG MET A 6 -4.841 -23.193 -10.807 1.00 3.15 C ATOM 74 SD MET A 6 -6.624 -22.939 -10.679 1.00 3.73 S ATOM 75 CE MET A 6 -6.792 -23.490 -8.967 1.00 3.93 C ATOM 0 H MET A 6 -1.970 -21.200 -12.440 1.00 2.96 H new ATOM 0 HA MET A 6 -2.432 -23.241 -11.417 1.00 2.78 H new ATOM 0 HB2 MET A 6 -4.893 -22.357 -12.798 1.00 3.15 H new ATOM 0 HB3 MET A 6 -4.798 -24.107 -12.764 1.00 3.15 H new ATOM 0 HG2 MET A 6 -4.562 -24.136 -10.337 1.00 3.15 H new ATOM 0 HG3 MET A 6 -4.311 -22.403 -10.276 1.00 3.15 H new ATOM 0 HE1 MET A 6 -7.836 -23.419 -8.663 1.00 3.93 H new ATOM 0 HE2 MET A 6 -6.459 -24.525 -8.883 1.00 3.93 H new ATOM 0 HE3 MET A 6 -6.182 -22.859 -8.320 1.00 3.93 H new ATOM 85 N ASP A 7 -3.035 -24.638 -14.294 1.00 3.06 N ATOM 86 CA ASP A 7 -2.547 -25.744 -15.183 1.00 3.10 C ATOM 87 C ASP A 7 -2.493 -27.079 -14.425 1.00 2.94 C ATOM 88 O ASP A 7 -3.102 -28.055 -14.830 1.00 3.20 O ATOM 89 CB ASP A 7 -1.150 -25.316 -15.647 1.00 2.97 C ATOM 90 CG ASP A 7 -0.665 -26.273 -16.729 1.00 3.16 C ATOM 91 OD1 ASP A 7 -1.126 -26.150 -17.850 1.00 3.57 O ATOM 92 OD2 ASP A 7 0.135 -27.136 -16.410 1.00 3.03 O ATOM 0 H ASP A 7 -3.933 -24.240 -14.567 1.00 3.06 H new ATOM 0 HA ASP A 7 -3.217 -25.903 -16.028 1.00 3.10 H new ATOM 0 HB2 ASP A 7 -1.178 -24.297 -16.033 1.00 2.97 H new ATOM 0 HB3 ASP A 7 -0.458 -25.319 -14.805 1.00 2.97 H new ATOM 97 N HIS A 8 -1.785 -27.123 -13.332 1.00 2.60 N ATOM 98 CA HIS A 8 -1.692 -28.383 -12.532 1.00 2.59 C ATOM 99 C HIS A 8 -1.961 -28.067 -11.052 1.00 2.46 C ATOM 100 O HIS A 8 -1.536 -28.786 -10.169 1.00 2.47 O ATOM 101 CB HIS A 8 -0.251 -28.873 -12.731 1.00 2.44 C ATOM 102 CG HIS A 8 -0.173 -29.810 -13.908 1.00 2.72 C ATOM 103 ND1 HIS A 8 0.102 -29.366 -15.194 1.00 2.84 N ATOM 104 CD2 HIS A 8 -0.313 -31.172 -14.006 1.00 3.02 C ATOM 105 CE1 HIS A 8 0.121 -30.444 -15.999 1.00 3.12 C ATOM 106 NE2 HIS A 8 -0.127 -31.570 -15.328 1.00 3.24 N ATOM 0 H HIS A 8 -1.261 -26.335 -12.952 1.00 2.60 H new ATOM 0 HA HIS A 8 -2.417 -29.136 -12.840 1.00 2.59 H new ATOM 0 HB2 HIS A 8 0.411 -28.022 -12.891 1.00 2.44 H new ATOM 0 HB3 HIS A 8 0.095 -29.380 -11.830 1.00 2.44 H new ATOM 0 HD1 HIS A 8 0.261 -28.399 -15.477 1.00 2.84 H new ATOM 0 HD2 HIS A 8 -0.534 -31.835 -13.183 1.00 3.02 H new ATOM 0 HE1 HIS A 8 0.314 -30.403 -17.061 1.00 3.12 H new ATOM 114 N SER A 9 -2.661 -26.983 -10.785 1.00 2.46 N ATOM 115 CA SER A 9 -2.969 -26.580 -9.372 1.00 2.42 C ATOM 116 C SER A 9 -1.712 -26.657 -8.487 1.00 2.18 C ATOM 117 O SER A 9 -1.649 -27.447 -7.563 1.00 2.28 O ATOM 118 CB SER A 9 -4.030 -27.567 -8.894 1.00 2.70 C ATOM 119 OG SER A 9 -5.061 -26.848 -8.230 1.00 2.94 O ATOM 0 H SER A 9 -3.035 -26.355 -11.496 1.00 2.46 H new ATOM 0 HA SER A 9 -3.318 -25.549 -9.315 1.00 2.42 H new ATOM 0 HB2 SER A 9 -4.440 -28.119 -9.740 1.00 2.70 H new ATOM 0 HB3 SER A 9 -3.587 -28.300 -8.220 1.00 2.70 H new ATOM 0 HG SER A 9 -5.749 -27.474 -7.920 1.00 2.94 H new ATOM 125 N PRO A 10 -0.745 -25.828 -8.799 1.00 1.96 N ATOM 126 CA PRO A 10 0.523 -25.810 -8.024 1.00 1.82 C ATOM 127 C PRO A 10 0.300 -25.219 -6.624 1.00 1.86 C ATOM 128 O PRO A 10 0.288 -24.014 -6.441 1.00 1.83 O ATOM 129 CB PRO A 10 1.439 -24.918 -8.861 1.00 1.70 C ATOM 130 CG PRO A 10 0.513 -24.043 -9.642 1.00 1.76 C ATOM 131 CD PRO A 10 -0.739 -24.840 -9.887 1.00 1.95 C ATOM 0 HA PRO A 10 0.938 -26.805 -7.860 1.00 1.82 H new ATOM 0 HB2 PRO A 10 2.101 -24.327 -8.228 1.00 1.70 H new ATOM 0 HB3 PRO A 10 2.073 -25.511 -9.520 1.00 1.70 H new ATOM 0 HG2 PRO A 10 0.288 -23.130 -9.091 1.00 1.76 H new ATOM 0 HG3 PRO A 10 0.970 -23.742 -10.585 1.00 1.76 H new ATOM 0 HD2 PRO A 10 -1.627 -24.209 -9.859 1.00 1.95 H new ATOM 0 HD3 PRO A 10 -0.722 -25.322 -10.865 1.00 1.95 H new ATOM 139 N THR A 11 0.139 -26.062 -5.633 1.00 1.97 N ATOM 140 CA THR A 11 -0.069 -25.565 -4.238 1.00 2.09 C ATOM 141 C THR A 11 1.103 -24.672 -3.828 1.00 2.07 C ATOM 142 O THR A 11 0.919 -23.555 -3.387 1.00 2.06 O ATOM 143 CB THR A 11 -0.120 -26.825 -3.370 1.00 2.29 C ATOM 144 OG1 THR A 11 0.975 -27.673 -3.698 1.00 2.30 O ATOM 145 CG2 THR A 11 -1.434 -27.565 -3.624 1.00 2.36 C ATOM 0 H THR A 11 0.143 -27.077 -5.732 1.00 1.97 H new ATOM 0 HA THR A 11 -0.977 -24.970 -4.136 1.00 2.09 H new ATOM 0 HB THR A 11 -0.058 -26.545 -2.318 1.00 2.29 H new ATOM 0 HG1 THR A 11 0.943 -28.479 -3.141 1.00 2.30 H new ATOM 0 HG21 THR A 11 -1.471 -28.462 -3.006 1.00 2.36 H new ATOM 0 HG22 THR A 11 -2.272 -26.915 -3.371 1.00 2.36 H new ATOM 0 HG23 THR A 11 -1.496 -27.845 -4.675 1.00 2.36 H new ATOM 153 N THR A 12 2.309 -25.151 -4.002 1.00 2.12 N ATOM 154 CA THR A 12 3.509 -24.332 -3.654 1.00 2.16 C ATOM 155 C THR A 12 3.492 -23.029 -4.451 1.00 1.99 C ATOM 156 O THR A 12 3.661 -21.957 -3.907 1.00 1.99 O ATOM 157 CB THR A 12 4.711 -25.191 -4.054 1.00 2.27 C ATOM 158 OG1 THR A 12 4.466 -25.792 -5.319 1.00 2.25 O ATOM 159 CG2 THR A 12 4.933 -26.280 -3.007 1.00 2.50 C ATOM 0 H THR A 12 2.514 -26.079 -4.372 1.00 2.12 H new ATOM 0 HA THR A 12 3.539 -24.065 -2.598 1.00 2.16 H new ATOM 0 HB THR A 12 5.599 -24.562 -4.117 1.00 2.27 H new ATOM 0 HG1 THR A 12 4.210 -26.729 -5.192 1.00 2.25 H new ATOM 0 HG21 THR A 12 5.789 -26.891 -3.293 1.00 2.50 H new ATOM 0 HG22 THR A 12 5.124 -25.819 -2.038 1.00 2.50 H new ATOM 0 HG23 THR A 12 4.045 -26.908 -2.942 1.00 2.50 H new ATOM 167 N GLY A 13 3.267 -23.125 -5.735 1.00 1.90 N ATOM 168 CA GLY A 13 3.210 -21.904 -6.599 1.00 1.79 C ATOM 169 C GLY A 13 2.096 -20.985 -6.099 1.00 1.74 C ATOM 170 O GLY A 13 2.324 -19.822 -5.809 1.00 1.73 O ATOM 0 H GLY A 13 3.119 -24.005 -6.229 1.00 1.90 H new ATOM 0 HA2 GLY A 13 4.167 -21.382 -6.575 1.00 1.79 H new ATOM 0 HA3 GLY A 13 3.027 -22.186 -7.636 1.00 1.79 H new ATOM 174 N VAL A 14 0.898 -21.500 -5.972 1.00 1.75 N ATOM 175 CA VAL A 14 -0.232 -20.662 -5.462 1.00 1.80 C ATOM 176 C VAL A 14 0.159 -20.055 -4.105 1.00 1.88 C ATOM 177 O VAL A 14 -0.136 -18.912 -3.821 1.00 1.89 O ATOM 178 CB VAL A 14 -1.413 -21.631 -5.317 1.00 1.92 C ATOM 179 CG1 VAL A 14 -2.515 -20.993 -4.466 1.00 2.11 C ATOM 180 CG2 VAL A 14 -1.974 -21.961 -6.704 1.00 1.91 C ATOM 0 H VAL A 14 0.653 -22.464 -6.199 1.00 1.75 H new ATOM 0 HA VAL A 14 -0.482 -19.833 -6.124 1.00 1.80 H new ATOM 0 HB VAL A 14 -1.067 -22.543 -4.831 1.00 1.92 H new ATOM 0 HG11 VAL A 14 -3.349 -21.689 -4.369 1.00 2.11 H new ATOM 0 HG12 VAL A 14 -2.121 -20.759 -3.477 1.00 2.11 H new ATOM 0 HG13 VAL A 14 -2.861 -20.077 -4.945 1.00 2.11 H new ATOM 0 HG21 VAL A 14 -2.813 -22.649 -6.603 1.00 1.91 H new ATOM 0 HG22 VAL A 14 -2.313 -21.044 -7.187 1.00 1.91 H new ATOM 0 HG23 VAL A 14 -1.196 -22.424 -7.310 1.00 1.91 H new ATOM 190 N VAL A 15 0.840 -20.805 -3.276 1.00 1.98 N ATOM 191 CA VAL A 15 1.266 -20.258 -1.951 1.00 2.13 C ATOM 192 C VAL A 15 2.320 -19.170 -2.146 1.00 2.05 C ATOM 193 O VAL A 15 2.239 -18.103 -1.568 1.00 2.08 O ATOM 194 CB VAL A 15 1.854 -21.450 -1.181 1.00 2.33 C ATOM 195 CG1 VAL A 15 2.648 -20.945 0.028 1.00 2.54 C ATOM 196 CG2 VAL A 15 0.723 -22.356 -0.692 1.00 2.48 C ATOM 0 H VAL A 15 1.119 -21.769 -3.458 1.00 1.98 H new ATOM 0 HA VAL A 15 0.435 -19.805 -1.411 1.00 2.13 H new ATOM 0 HB VAL A 15 2.513 -22.010 -1.844 1.00 2.33 H new ATOM 0 HG11 VAL A 15 3.063 -21.794 0.571 1.00 2.54 H new ATOM 0 HG12 VAL A 15 3.459 -20.301 -0.312 1.00 2.54 H new ATOM 0 HG13 VAL A 15 1.988 -20.381 0.687 1.00 2.54 H new ATOM 0 HG21 VAL A 15 1.144 -23.201 -0.146 1.00 2.48 H new ATOM 0 HG22 VAL A 15 0.063 -21.791 -0.034 1.00 2.48 H new ATOM 0 HG23 VAL A 15 0.155 -22.723 -1.547 1.00 2.48 H new ATOM 206 N THR A 16 3.308 -19.434 -2.954 1.00 2.01 N ATOM 207 CA THR A 16 4.378 -18.422 -3.187 1.00 2.02 C ATOM 208 C THR A 16 3.795 -17.132 -3.773 1.00 1.86 C ATOM 209 O THR A 16 4.208 -16.040 -3.424 1.00 1.90 O ATOM 210 CB THR A 16 5.383 -19.084 -4.152 1.00 2.07 C ATOM 211 OG1 THR A 16 4.722 -19.744 -5.230 1.00 1.95 O ATOM 212 CG2 THR A 16 6.209 -20.113 -3.383 1.00 2.35 C ATOM 0 H THR A 16 3.422 -20.309 -3.465 1.00 2.01 H new ATOM 0 HA THR A 16 4.866 -18.132 -2.257 1.00 2.02 H new ATOM 0 HB THR A 16 6.019 -18.301 -4.565 1.00 2.07 H new ATOM 0 HG1 THR A 16 3.877 -19.287 -5.424 1.00 1.95 H new ATOM 0 HG21 THR A 16 6.922 -20.586 -4.059 1.00 2.35 H new ATOM 0 HG22 THR A 16 6.748 -19.617 -2.576 1.00 2.35 H new ATOM 0 HG23 THR A 16 5.547 -20.872 -2.965 1.00 2.35 H new ATOM 220 N VAL A 17 2.829 -17.237 -4.643 1.00 1.75 N ATOM 221 CA VAL A 17 2.232 -16.006 -5.228 1.00 1.69 C ATOM 222 C VAL A 17 1.292 -15.318 -4.227 1.00 1.72 C ATOM 223 O VAL A 17 1.270 -14.106 -4.154 1.00 1.73 O ATOM 224 CB VAL A 17 1.493 -16.448 -6.499 1.00 1.68 C ATOM 225 CG1 VAL A 17 2.486 -17.093 -7.467 1.00 1.74 C ATOM 226 CG2 VAL A 17 0.392 -17.456 -6.170 1.00 1.70 C ATOM 0 H VAL A 17 2.430 -18.116 -4.972 1.00 1.75 H new ATOM 0 HA VAL A 17 2.997 -15.268 -5.468 1.00 1.69 H new ATOM 0 HB VAL A 17 1.038 -15.568 -6.954 1.00 1.68 H new ATOM 0 HG11 VAL A 17 1.962 -17.407 -8.370 1.00 1.74 H new ATOM 0 HG12 VAL A 17 3.260 -16.371 -7.729 1.00 1.74 H new ATOM 0 HG13 VAL A 17 2.945 -17.961 -6.993 1.00 1.74 H new ATOM 0 HG21 VAL A 17 -0.116 -17.753 -7.088 1.00 1.70 H new ATOM 0 HG22 VAL A 17 0.832 -18.335 -5.699 1.00 1.70 H new ATOM 0 HG23 VAL A 17 -0.327 -17.000 -5.489 1.00 1.70 H new ATOM 236 N ILE A 18 0.530 -16.050 -3.436 1.00 1.80 N ATOM 237 CA ILE A 18 -0.362 -15.354 -2.459 1.00 1.93 C ATOM 238 C ILE A 18 0.467 -14.717 -1.349 1.00 1.99 C ATOM 239 O ILE A 18 0.187 -13.613 -0.931 1.00 2.04 O ATOM 240 CB ILE A 18 -1.344 -16.402 -1.909 1.00 2.10 C ATOM 241 CG1 ILE A 18 -0.596 -17.538 -1.203 1.00 2.18 C ATOM 242 CG2 ILE A 18 -2.187 -16.976 -3.052 1.00 2.08 C ATOM 243 CD1 ILE A 18 -1.595 -18.415 -0.445 1.00 2.46 C ATOM 0 H ILE A 18 0.491 -17.069 -3.427 1.00 1.80 H new ATOM 0 HA ILE A 18 -0.917 -14.547 -2.937 1.00 1.93 H new ATOM 0 HB ILE A 18 -1.994 -15.912 -1.184 1.00 2.10 H new ATOM 0 HG12 ILE A 18 -0.051 -18.137 -1.933 1.00 2.18 H new ATOM 0 HG13 ILE A 18 0.141 -17.128 -0.512 1.00 2.18 H new ATOM 0 HG21 ILE A 18 -2.880 -17.718 -2.656 1.00 2.08 H new ATOM 0 HG22 ILE A 18 -2.748 -16.173 -3.529 1.00 2.08 H new ATOM 0 HG23 ILE A 18 -1.533 -17.447 -3.786 1.00 2.08 H new ATOM 0 HD11 ILE A 18 -1.062 -19.223 0.057 1.00 2.46 H new ATOM 0 HD12 ILE A 18 -2.120 -17.812 0.295 1.00 2.46 H new ATOM 0 HD13 ILE A 18 -2.315 -18.836 -1.147 1.00 2.46 H new ATOM 255 N VAL A 19 1.503 -15.365 -0.889 1.00 2.05 N ATOM 256 CA VAL A 19 2.342 -14.733 0.166 1.00 2.18 C ATOM 257 C VAL A 19 3.088 -13.539 -0.446 1.00 2.06 C ATOM 258 O VAL A 19 3.182 -12.489 0.161 1.00 2.11 O ATOM 259 CB VAL A 19 3.307 -15.814 0.681 1.00 2.35 C ATOM 260 CG1 VAL A 19 2.515 -16.983 1.272 1.00 2.49 C ATOM 261 CG2 VAL A 19 4.198 -16.331 -0.450 1.00 2.24 C ATOM 0 H VAL A 19 1.801 -16.292 -1.194 1.00 2.05 H new ATOM 0 HA VAL A 19 1.749 -14.356 0.999 1.00 2.18 H new ATOM 0 HB VAL A 19 3.936 -15.368 1.451 1.00 2.35 H new ATOM 0 HG11 VAL A 19 3.206 -17.744 1.634 1.00 2.49 H new ATOM 0 HG12 VAL A 19 1.902 -16.626 2.099 1.00 2.49 H new ATOM 0 HG13 VAL A 19 1.872 -17.413 0.503 1.00 2.49 H new ATOM 0 HG21 VAL A 19 4.872 -17.095 -0.062 1.00 2.24 H new ATOM 0 HG22 VAL A 19 3.576 -16.761 -1.235 1.00 2.24 H new ATOM 0 HG23 VAL A 19 4.781 -15.506 -0.860 1.00 2.24 H new ATOM 271 N ILE A 20 3.576 -13.666 -1.664 1.00 1.94 N ATOM 272 CA ILE A 20 4.262 -12.504 -2.309 1.00 1.90 C ATOM 273 C ILE A 20 3.233 -11.396 -2.543 1.00 1.82 C ATOM 274 O ILE A 20 3.452 -10.247 -2.206 1.00 1.84 O ATOM 275 CB ILE A 20 4.826 -13.042 -3.632 1.00 1.88 C ATOM 276 CG1 ILE A 20 6.069 -13.889 -3.341 1.00 2.05 C ATOM 277 CG2 ILE A 20 5.206 -11.886 -4.566 1.00 1.92 C ATOM 278 CD1 ILE A 20 7.155 -13.025 -2.687 1.00 2.26 C ATOM 0 H ILE A 20 3.528 -14.514 -2.229 1.00 1.94 H new ATOM 0 HA ILE A 20 5.061 -12.082 -1.699 1.00 1.90 H new ATOM 0 HB ILE A 20 4.064 -13.649 -4.120 1.00 1.88 H new ATOM 0 HG12 ILE A 20 5.808 -14.718 -2.683 1.00 2.05 H new ATOM 0 HG13 ILE A 20 6.447 -14.323 -4.266 1.00 2.05 H new ATOM 0 HG21 ILE A 20 5.604 -12.287 -5.498 1.00 1.92 H new ATOM 0 HG22 ILE A 20 4.322 -11.284 -4.778 1.00 1.92 H new ATOM 0 HG23 ILE A 20 5.962 -11.264 -4.087 1.00 1.92 H new ATOM 0 HD11 ILE A 20 8.034 -13.637 -2.484 1.00 2.26 H new ATOM 0 HD12 ILE A 20 7.427 -12.211 -3.359 1.00 2.26 H new ATOM 0 HD13 ILE A 20 6.777 -12.612 -1.752 1.00 2.26 H new ATOM 290 N LEU A 21 2.097 -11.748 -3.088 1.00 1.76 N ATOM 291 CA LEU A 21 1.023 -10.729 -3.315 1.00 1.79 C ATOM 292 C LEU A 21 0.639 -10.106 -1.968 1.00 1.88 C ATOM 293 O LEU A 21 0.590 -8.897 -1.824 1.00 1.91 O ATOM 294 CB LEU A 21 -0.155 -11.504 -3.916 1.00 1.84 C ATOM 295 CG LEU A 21 0.029 -11.621 -5.429 1.00 1.88 C ATOM 296 CD1 LEU A 21 -0.878 -12.728 -5.965 1.00 1.91 C ATOM 297 CD2 LEU A 21 -0.344 -10.295 -6.090 1.00 2.10 C ATOM 0 H LEU A 21 1.865 -12.695 -3.386 1.00 1.76 H new ATOM 0 HA LEU A 21 1.336 -9.921 -3.976 1.00 1.79 H new ATOM 0 HB2 LEU A 21 -0.217 -12.496 -3.469 1.00 1.84 H new ATOM 0 HB3 LEU A 21 -1.092 -10.994 -3.691 1.00 1.84 H new ATOM 0 HG LEU A 21 1.069 -11.860 -5.653 1.00 1.88 H new ATOM 0 HD11 LEU A 21 -0.749 -12.814 -7.044 1.00 1.91 H new ATOM 0 HD12 LEU A 21 -0.616 -13.674 -5.492 1.00 1.91 H new ATOM 0 HD13 LEU A 21 -1.917 -12.487 -5.742 1.00 1.91 H new ATOM 0 HD21 LEU A 21 -0.213 -10.377 -7.169 1.00 2.10 H new ATOM 0 HD22 LEU A 21 -1.384 -10.057 -5.867 1.00 2.10 H new ATOM 0 HD23 LEU A 21 0.299 -9.503 -5.706 1.00 2.10 H new ATOM 309 N ILE A 22 0.395 -10.929 -0.971 1.00 1.98 N ATOM 310 CA ILE A 22 0.047 -10.388 0.382 1.00 2.16 C ATOM 311 C ILE A 22 1.164 -9.452 0.855 1.00 2.14 C ATOM 312 O ILE A 22 0.914 -8.372 1.358 1.00 2.21 O ATOM 313 CB ILE A 22 -0.077 -11.617 1.295 1.00 2.33 C ATOM 314 CG1 ILE A 22 -1.457 -12.252 1.106 1.00 2.47 C ATOM 315 CG2 ILE A 22 0.087 -11.208 2.763 1.00 2.55 C ATOM 316 CD1 ILE A 22 -1.454 -13.666 1.691 1.00 2.64 C ATOM 0 H ILE A 22 0.422 -11.946 -1.037 1.00 1.98 H new ATOM 0 HA ILE A 22 -0.877 -9.810 0.382 1.00 2.16 H new ATOM 0 HB ILE A 22 0.704 -12.331 1.032 1.00 2.33 H new ATOM 0 HG12 ILE A 22 -2.218 -11.646 1.597 1.00 2.47 H new ATOM 0 HG13 ILE A 22 -1.711 -12.286 0.047 1.00 2.47 H new ATOM 0 HG21 ILE A 22 -0.003 -12.089 3.398 1.00 2.55 H new ATOM 0 HG22 ILE A 22 1.068 -10.756 2.907 1.00 2.55 H new ATOM 0 HG23 ILE A 22 -0.687 -10.488 3.029 1.00 2.55 H new ATOM 0 HD11 ILE A 22 -2.437 -14.118 1.556 1.00 2.64 H new ATOM 0 HD12 ILE A 22 -0.704 -14.270 1.180 1.00 2.64 H new ATOM 0 HD13 ILE A 22 -1.219 -13.619 2.754 1.00 2.64 H new ATOM 328 N ALA A 23 2.394 -9.854 0.671 1.00 2.10 N ATOM 329 CA ALA A 23 3.540 -8.988 1.087 1.00 2.15 C ATOM 330 C ALA A 23 3.531 -7.688 0.272 1.00 2.02 C ATOM 331 O ALA A 23 3.661 -6.609 0.818 1.00 2.07 O ATOM 332 CB ALA A 23 4.794 -9.813 0.790 1.00 2.20 C ATOM 0 H ALA A 23 2.656 -10.745 0.250 1.00 2.10 H new ATOM 0 HA ALA A 23 3.490 -8.704 2.138 1.00 2.15 H new ATOM 0 HB1 ALA A 23 5.680 -9.242 1.070 1.00 2.20 H new ATOM 0 HB2 ALA A 23 4.764 -10.740 1.363 1.00 2.20 H new ATOM 0 HB3 ALA A 23 4.833 -10.045 -0.274 1.00 2.20 H new ATOM 338 N ILE A 24 3.351 -7.780 -1.026 1.00 1.92 N ATOM 339 CA ILE A 24 3.304 -6.542 -1.866 1.00 1.88 C ATOM 340 C ILE A 24 2.152 -5.654 -1.378 1.00 1.89 C ATOM 341 O ILE A 24 2.314 -4.462 -1.176 1.00 1.91 O ATOM 342 CB ILE A 24 3.051 -7.030 -3.301 1.00 1.85 C ATOM 343 CG1 ILE A 24 4.307 -7.723 -3.836 1.00 1.92 C ATOM 344 CG2 ILE A 24 2.714 -5.842 -4.209 1.00 1.94 C ATOM 345 CD1 ILE A 24 3.952 -8.515 -5.096 1.00 1.94 C ATOM 0 H ILE A 24 3.235 -8.655 -1.537 1.00 1.92 H new ATOM 0 HA ILE A 24 4.221 -5.955 -1.809 1.00 1.88 H new ATOM 0 HB ILE A 24 2.215 -7.729 -3.292 1.00 1.85 H new ATOM 0 HG12 ILE A 24 5.075 -6.984 -4.062 1.00 1.92 H new ATOM 0 HG13 ILE A 24 4.719 -8.389 -3.078 1.00 1.92 H new ATOM 0 HG21 ILE A 24 2.536 -6.198 -5.224 1.00 1.94 H new ATOM 0 HG22 ILE A 24 1.819 -5.343 -3.838 1.00 1.94 H new ATOM 0 HG23 ILE A 24 3.547 -5.139 -4.212 1.00 1.94 H new ATOM 0 HD11 ILE A 24 4.845 -9.009 -5.479 1.00 1.94 H new ATOM 0 HD12 ILE A 24 3.198 -9.264 -4.855 1.00 1.94 H new ATOM 0 HD13 ILE A 24 3.560 -7.837 -5.854 1.00 1.94 H new ATOM 357 N ALA A 25 0.995 -6.235 -1.166 1.00 1.94 N ATOM 358 CA ALA A 25 -0.166 -5.440 -0.669 1.00 2.06 C ATOM 359 C ALA A 25 0.150 -4.867 0.714 1.00 2.13 C ATOM 360 O ALA A 25 -0.105 -3.708 0.988 1.00 2.17 O ATOM 361 CB ALA A 25 -1.331 -6.429 -0.603 1.00 2.18 C ATOM 0 H ALA A 25 0.807 -7.226 -1.317 1.00 1.94 H new ATOM 0 HA ALA A 25 -0.400 -4.594 -1.315 1.00 2.06 H new ATOM 0 HB1 ALA A 25 -2.224 -5.916 -0.245 1.00 2.18 H new ATOM 0 HB2 ALA A 25 -1.520 -6.835 -1.597 1.00 2.18 H new ATOM 0 HB3 ALA A 25 -1.081 -7.241 0.079 1.00 2.18 H new ATOM 367 N ALA A 26 0.724 -5.662 1.576 1.00 2.18 N ATOM 368 CA ALA A 26 1.081 -5.158 2.936 1.00 2.32 C ATOM 369 C ALA A 26 2.110 -4.031 2.800 1.00 2.25 C ATOM 370 O ALA A 26 1.990 -2.991 3.421 1.00 2.32 O ATOM 371 CB ALA A 26 1.672 -6.361 3.676 1.00 2.43 C ATOM 0 H ALA A 26 0.962 -6.638 1.399 1.00 2.18 H new ATOM 0 HA ALA A 26 0.225 -4.753 3.476 1.00 2.32 H new ATOM 0 HB1 ALA A 26 1.957 -6.063 4.685 1.00 2.43 H new ATOM 0 HB2 ALA A 26 0.929 -7.157 3.729 1.00 2.43 H new ATOM 0 HB3 ALA A 26 2.551 -6.721 3.142 1.00 2.43 H new ATOM 377 N LEU A 27 3.101 -4.217 1.961 1.00 2.14 N ATOM 378 CA LEU A 27 4.115 -3.145 1.748 1.00 2.12 C ATOM 379 C LEU A 27 3.415 -1.909 1.171 1.00 2.05 C ATOM 380 O LEU A 27 3.619 -0.798 1.631 1.00 2.09 O ATOM 381 CB LEU A 27 5.114 -3.736 0.745 1.00 2.10 C ATOM 382 CG LEU A 27 6.036 -2.632 0.225 1.00 2.14 C ATOM 383 CD1 LEU A 27 7.486 -3.111 0.266 1.00 2.34 C ATOM 384 CD2 LEU A 27 5.656 -2.285 -1.216 1.00 2.11 C ATOM 0 H LEU A 27 3.248 -5.066 1.416 1.00 2.14 H new ATOM 0 HA LEU A 27 4.617 -2.837 2.665 1.00 2.12 H new ATOM 0 HB2 LEU A 27 5.702 -4.520 1.222 1.00 2.10 H new ATOM 0 HB3 LEU A 27 4.580 -4.198 -0.085 1.00 2.10 H new ATOM 0 HG LEU A 27 5.929 -1.748 0.854 1.00 2.14 H new ATOM 0 HD11 LEU A 27 8.140 -2.322 -0.105 1.00 2.34 H new ATOM 0 HD12 LEU A 27 7.759 -3.356 1.292 1.00 2.34 H new ATOM 0 HD13 LEU A 27 7.594 -3.997 -0.360 1.00 2.34 H new ATOM 0 HD21 LEU A 27 6.313 -1.498 -1.586 1.00 2.11 H new ATOM 0 HD22 LEU A 27 5.761 -3.170 -1.843 1.00 2.11 H new ATOM 0 HD23 LEU A 27 4.623 -1.939 -1.247 1.00 2.11 H new ATOM 396 N GLY A 28 2.567 -2.100 0.185 1.00 1.99 N ATOM 397 CA GLY A 28 1.826 -0.944 -0.407 1.00 2.00 C ATOM 398 C GLY A 28 1.018 -0.261 0.699 1.00 2.09 C ATOM 399 O GLY A 28 1.038 0.950 0.836 1.00 2.12 O ATOM 0 H GLY A 28 2.358 -3.007 -0.233 1.00 1.99 H new ATOM 0 HA2 GLY A 28 2.524 -0.238 -0.856 1.00 2.00 H new ATOM 0 HA3 GLY A 28 1.164 -1.287 -1.202 1.00 2.00 H new ATOM 403 N ALA A 29 0.326 -1.032 1.507 1.00 2.18 N ATOM 404 CA ALA A 29 -0.466 -0.429 2.621 1.00 2.34 C ATOM 405 C ALA A 29 0.471 0.269 3.608 1.00 2.36 C ATOM 406 O ALA A 29 0.214 1.376 4.043 1.00 2.43 O ATOM 407 CB ALA A 29 -1.191 -1.604 3.282 1.00 2.48 C ATOM 0 H ALA A 29 0.277 -2.049 1.441 1.00 2.18 H new ATOM 0 HA ALA A 29 -1.172 0.325 2.272 1.00 2.34 H new ATOM 0 HB1 ALA A 29 -1.795 -1.238 4.112 1.00 2.48 H new ATOM 0 HB2 ALA A 29 -1.836 -2.091 2.551 1.00 2.48 H new ATOM 0 HB3 ALA A 29 -0.459 -2.320 3.654 1.00 2.48 H new ATOM 413 N LEU A 30 1.567 -0.360 3.941 1.00 2.35 N ATOM 414 CA LEU A 30 2.546 0.271 4.881 1.00 2.43 C ATOM 415 C LEU A 30 3.042 1.600 4.293 1.00 2.31 C ATOM 416 O LEU A 30 3.166 2.589 4.990 1.00 2.38 O ATOM 417 CB LEU A 30 3.697 -0.736 5.001 1.00 2.47 C ATOM 418 CG LEU A 30 3.435 -1.685 6.172 1.00 2.68 C ATOM 419 CD1 LEU A 30 4.244 -2.968 5.974 1.00 2.73 C ATOM 420 CD2 LEU A 30 3.863 -1.011 7.476 1.00 2.92 C ATOM 0 H LEU A 30 1.829 -1.286 3.603 1.00 2.35 H new ATOM 0 HA LEU A 30 2.108 0.493 5.854 1.00 2.43 H new ATOM 0 HB2 LEU A 30 3.794 -1.304 4.076 1.00 2.47 H new ATOM 0 HB3 LEU A 30 4.639 -0.209 5.152 1.00 2.47 H new ATOM 0 HG LEU A 30 2.373 -1.926 6.218 1.00 2.68 H new ATOM 0 HD11 LEU A 30 4.060 -3.647 6.807 1.00 2.73 H new ATOM 0 HD12 LEU A 30 3.944 -3.447 5.042 1.00 2.73 H new ATOM 0 HD13 LEU A 30 5.306 -2.726 5.932 1.00 2.73 H new ATOM 0 HD21 LEU A 30 3.677 -1.685 8.312 1.00 2.92 H new ATOM 0 HD22 LEU A 30 4.926 -0.773 7.431 1.00 2.92 H new ATOM 0 HD23 LEU A 30 3.291 -0.093 7.616 1.00 2.92 H new ATOM 432 N ILE A 31 3.302 1.635 3.008 1.00 2.17 N ATOM 433 CA ILE A 31 3.767 2.908 2.369 1.00 2.10 C ATOM 434 C ILE A 31 2.610 3.918 2.334 1.00 2.10 C ATOM 435 O ILE A 31 2.776 5.078 2.683 1.00 2.11 O ATOM 436 CB ILE A 31 4.209 2.508 0.954 1.00 2.04 C ATOM 437 CG1 ILE A 31 5.603 1.879 1.023 1.00 2.12 C ATOM 438 CG2 ILE A 31 4.258 3.739 0.043 1.00 2.06 C ATOM 439 CD1 ILE A 31 5.819 0.978 -0.193 1.00 2.27 C ATOM 0 H ILE A 31 3.213 0.840 2.375 1.00 2.17 H new ATOM 0 HA ILE A 31 4.583 3.384 2.914 1.00 2.10 H new ATOM 0 HB ILE A 31 3.493 1.794 0.547 1.00 2.04 H new ATOM 0 HG12 ILE A 31 6.364 2.659 1.050 1.00 2.12 H new ATOM 0 HG13 ILE A 31 5.707 1.300 1.941 1.00 2.12 H new ATOM 0 HG21 ILE A 31 4.573 3.440 -0.957 1.00 2.06 H new ATOM 0 HG22 ILE A 31 3.268 4.193 -0.009 1.00 2.06 H new ATOM 0 HG23 ILE A 31 4.968 4.462 0.446 1.00 2.06 H new ATOM 0 HD11 ILE A 31 6.812 0.531 -0.143 1.00 2.27 H new ATOM 0 HD12 ILE A 31 5.066 0.190 -0.200 1.00 2.27 H new ATOM 0 HD13 ILE A 31 5.733 1.570 -1.104 1.00 2.27 H new ATOM 451 N LEU A 32 1.438 3.479 1.934 1.00 2.14 N ATOM 452 CA LEU A 32 0.260 4.404 1.891 1.00 2.21 C ATOM 453 C LEU A 32 -0.036 4.943 3.297 1.00 2.31 C ATOM 454 O LEU A 32 -0.164 6.138 3.498 1.00 2.33 O ATOM 455 CB LEU A 32 -0.909 3.552 1.378 1.00 2.28 C ATOM 456 CG LEU A 32 -1.537 4.224 0.156 1.00 2.50 C ATOM 457 CD1 LEU A 32 -1.489 3.266 -1.034 1.00 2.80 C ATOM 458 CD2 LEU A 32 -2.994 4.575 0.459 1.00 2.72 C ATOM 0 H LEU A 32 1.247 2.522 1.636 1.00 2.14 H new ATOM 0 HA LEU A 32 0.437 5.267 1.249 1.00 2.21 H new ATOM 0 HB2 LEU A 32 -0.557 2.554 1.116 1.00 2.28 H new ATOM 0 HB3 LEU A 32 -1.656 3.431 2.163 1.00 2.28 H new ATOM 0 HG LEU A 32 -0.983 5.132 -0.081 1.00 2.50 H new ATOM 0 HD11 LEU A 32 -1.937 3.745 -1.905 1.00 2.80 H new ATOM 0 HD12 LEU A 32 -0.452 3.010 -1.253 1.00 2.80 H new ATOM 0 HD13 LEU A 32 -2.044 2.359 -0.794 1.00 2.80 H new ATOM 0 HD21 LEU A 32 -3.442 5.054 -0.412 1.00 2.72 H new ATOM 0 HD22 LEU A 32 -3.546 3.665 0.696 1.00 2.72 H new ATOM 0 HD23 LEU A 32 -3.035 5.256 1.309 1.00 2.72 H new ATOM 470 N GLY A 33 -0.130 4.066 4.271 1.00 2.41 N ATOM 471 CA GLY A 33 -0.406 4.507 5.675 1.00 2.57 C ATOM 472 C GLY A 33 0.739 5.390 6.176 1.00 2.53 C ATOM 473 O GLY A 33 0.513 6.403 6.810 1.00 2.60 O ATOM 0 H GLY A 33 -0.027 3.058 4.151 1.00 2.41 H new ATOM 0 HA2 GLY A 33 -1.346 5.057 5.715 1.00 2.57 H new ATOM 0 HA3 GLY A 33 -0.518 3.638 6.323 1.00 2.57 H new ATOM 477 N CYS A 34 1.967 5.019 5.891 1.00 2.45 N ATOM 478 CA CYS A 34 3.128 5.848 6.343 1.00 2.45 C ATOM 479 C CYS A 34 2.982 7.284 5.821 1.00 2.35 C ATOM 480 O CYS A 34 3.131 8.235 6.564 1.00 2.38 O ATOM 481 CB CYS A 34 4.367 5.175 5.741 1.00 2.39 C ATOM 482 SG CYS A 34 5.859 6.003 6.346 1.00 2.68 S ATOM 0 H CYS A 34 2.213 4.180 5.366 1.00 2.45 H new ATOM 0 HA CYS A 34 3.194 5.908 7.429 1.00 2.45 H new ATOM 0 HB2 CYS A 34 4.389 4.120 6.013 1.00 2.39 H new ATOM 0 HB3 CYS A 34 4.327 5.223 4.653 1.00 2.39 H new ATOM 0 HG CYS A 34 6.909 5.431 5.837 1.00 2.68 H new ATOM 488 N TRP A 35 2.678 7.445 4.549 1.00 2.23 N ATOM 489 CA TRP A 35 2.509 8.825 3.980 1.00 2.17 C ATOM 490 C TRP A 35 2.126 8.764 2.493 1.00 2.07 C ATOM 491 O TRP A 35 2.881 9.181 1.633 1.00 1.96 O ATOM 492 CB TRP A 35 3.869 9.506 4.152 1.00 2.16 C ATOM 493 CG TRP A 35 3.672 10.946 4.519 1.00 2.20 C ATOM 494 CD1 TRP A 35 2.820 11.800 3.902 1.00 2.07 C ATOM 495 CD2 TRP A 35 4.328 11.716 5.568 1.00 2.49 C ATOM 496 NE1 TRP A 35 2.905 13.038 4.515 1.00 2.22 N ATOM 497 CE2 TRP A 35 3.822 13.037 5.542 1.00 2.46 C ATOM 498 CE3 TRP A 35 5.300 11.399 6.531 1.00 2.86 C ATOM 499 CZ2 TRP A 35 4.264 14.008 6.439 1.00 2.73 C ATOM 500 CZ3 TRP A 35 5.750 12.373 7.436 1.00 3.15 C ATOM 501 CH2 TRP A 35 5.233 13.676 7.390 1.00 3.07 C ATOM 0 H TRP A 35 2.541 6.684 3.884 1.00 2.23 H new ATOM 0 HA TRP A 35 1.712 9.370 4.485 1.00 2.17 H new ATOM 0 HB2 TRP A 35 4.445 8.999 4.926 1.00 2.16 H new ATOM 0 HB3 TRP A 35 4.443 9.432 3.228 1.00 2.16 H new ATOM 0 HD1 TRP A 35 2.179 11.555 3.068 1.00 2.07 H new ATOM 0 HE1 TRP A 35 2.355 13.852 4.240 1.00 2.22 H new ATOM 0 HE3 TRP A 35 5.704 10.398 6.575 1.00 2.86 H new ATOM 0 HZ2 TRP A 35 3.861 15.009 6.399 1.00 2.73 H new ATOM 0 HZ3 TRP A 35 6.498 12.118 8.172 1.00 3.15 H new ATOM 0 HH2 TRP A 35 5.583 14.422 8.088 1.00 3.07 H new ATOM 512 N CYS A 36 0.964 8.244 2.199 1.00 2.13 N ATOM 513 CA CYS A 36 0.484 8.134 0.779 1.00 2.06 C ATOM 514 C CYS A 36 1.543 7.468 -0.125 1.00 1.95 C ATOM 515 O CYS A 36 1.616 6.255 -0.197 1.00 2.08 O ATOM 516 CB CYS A 36 0.189 9.574 0.344 1.00 1.99 C ATOM 517 SG CYS A 36 -1.514 10.002 0.784 1.00 2.53 S ATOM 0 H CYS A 36 0.310 7.882 2.893 1.00 2.13 H new ATOM 0 HA CYS A 36 -0.400 7.502 0.697 1.00 2.06 H new ATOM 0 HB2 CYS A 36 0.884 10.261 0.827 1.00 1.99 H new ATOM 0 HB3 CYS A 36 0.335 9.677 -0.731 1.00 1.99 H new ATOM 0 HG CYS A 36 -1.554 11.223 1.229 1.00 2.53 H new ATOM 523 N TYR A 37 2.357 8.231 -0.824 1.00 1.75 N ATOM 524 CA TYR A 37 3.382 7.595 -1.715 1.00 1.68 C ATOM 525 C TYR A 37 4.608 8.497 -1.927 1.00 1.48 C ATOM 526 O TYR A 37 5.715 8.136 -1.576 1.00 1.61 O ATOM 527 CB TYR A 37 2.656 7.364 -3.039 1.00 1.71 C ATOM 528 CG TYR A 37 3.218 6.131 -3.696 1.00 1.86 C ATOM 529 CD1 TYR A 37 2.773 4.868 -3.297 1.00 2.23 C ATOM 530 CD2 TYR A 37 4.189 6.247 -4.696 1.00 2.02 C ATOM 531 CE1 TYR A 37 3.296 3.720 -3.898 1.00 2.56 C ATOM 532 CE2 TYR A 37 4.712 5.097 -5.297 1.00 2.40 C ATOM 533 CZ TYR A 37 4.264 3.834 -4.896 1.00 2.59 C ATOM 534 OH TYR A 37 4.777 2.699 -5.482 1.00 3.07 O ATOM 0 H TYR A 37 2.356 9.251 -0.816 1.00 1.75 H new ATOM 0 HA TYR A 37 3.768 6.675 -1.276 1.00 1.68 H new ATOM 0 HB2 TYR A 37 1.586 7.245 -2.866 1.00 1.71 H new ATOM 0 HB3 TYR A 37 2.779 8.228 -3.692 1.00 1.71 H new ATOM 0 HD1 TYR A 37 2.024 4.779 -2.524 1.00 2.23 H new ATOM 0 HD2 TYR A 37 4.535 7.223 -5.004 1.00 2.02 H new ATOM 0 HE1 TYR A 37 2.951 2.744 -3.590 1.00 2.56 H new ATOM 0 HE2 TYR A 37 5.461 5.184 -6.070 1.00 2.40 H new ATOM 0 HH TYR A 37 5.440 2.951 -6.159 1.00 3.07 H new ATOM 544 N LEU A 38 4.431 9.655 -2.513 1.00 1.28 N ATOM 545 CA LEU A 38 5.607 10.557 -2.758 1.00 1.17 C ATOM 546 C LEU A 38 5.833 11.548 -1.598 1.00 1.08 C ATOM 547 O LEU A 38 6.811 12.268 -1.590 1.00 1.03 O ATOM 548 CB LEU A 38 5.305 11.300 -4.070 1.00 1.11 C ATOM 549 CG LEU A 38 3.942 11.993 -4.009 1.00 1.53 C ATOM 550 CD1 LEU A 38 4.131 13.501 -4.153 1.00 1.97 C ATOM 551 CD2 LEU A 38 3.075 11.488 -5.162 1.00 2.10 C ATOM 0 H LEU A 38 3.532 10.016 -2.832 1.00 1.28 H new ATOM 0 HA LEU A 38 6.527 9.977 -2.827 1.00 1.17 H new ATOM 0 HB2 LEU A 38 6.084 12.038 -4.261 1.00 1.11 H new ATOM 0 HB3 LEU A 38 5.322 10.596 -4.902 1.00 1.11 H new ATOM 0 HG LEU A 38 3.462 11.773 -3.055 1.00 1.53 H new ATOM 0 HD11 LEU A 38 3.160 13.995 -4.110 1.00 1.97 H new ATOM 0 HD12 LEU A 38 4.761 13.868 -3.343 1.00 1.97 H new ATOM 0 HD13 LEU A 38 4.606 13.718 -5.109 1.00 1.97 H new ATOM 0 HD21 LEU A 38 2.101 11.977 -5.126 1.00 2.10 H new ATOM 0 HD22 LEU A 38 3.561 11.717 -6.110 1.00 2.10 H new ATOM 0 HD23 LEU A 38 2.943 10.410 -5.073 1.00 2.10 H new ATOM 563 N ARG A 39 4.957 11.579 -0.619 1.00 1.13 N ATOM 564 CA ARG A 39 5.128 12.507 0.546 1.00 1.09 C ATOM 565 C ARG A 39 5.356 13.957 0.086 1.00 1.10 C ATOM 566 O ARG A 39 6.421 14.527 0.267 1.00 1.11 O ATOM 567 CB ARG A 39 6.342 11.965 1.296 1.00 1.12 C ATOM 568 CG ARG A 39 5.915 10.776 2.155 1.00 1.62 C ATOM 569 CD ARG A 39 6.917 9.631 1.992 1.00 1.46 C ATOM 570 NE ARG A 39 6.267 8.706 1.016 1.00 1.46 N ATOM 571 CZ ARG A 39 6.081 7.460 1.309 1.00 2.03 C ATOM 572 NH1 ARG A 39 6.988 6.590 1.009 1.00 2.33 N ATOM 573 NH2 ARG A 39 4.978 7.085 1.872 1.00 2.70 N ATOM 0 H ARG A 39 4.122 10.994 -0.578 1.00 1.13 H new ATOM 0 HA ARG A 39 4.238 12.541 1.174 1.00 1.09 H new ATOM 0 HB2 ARG A 39 7.114 11.659 0.589 1.00 1.12 H new ATOM 0 HB3 ARG A 39 6.774 12.745 1.923 1.00 1.12 H new ATOM 0 HG2 ARG A 39 5.857 11.074 3.202 1.00 1.62 H new ATOM 0 HG3 ARG A 39 4.919 10.444 1.863 1.00 1.62 H new ATOM 0 HD2 ARG A 39 7.876 9.992 1.620 1.00 1.46 H new ATOM 0 HD3 ARG A 39 7.111 9.134 2.943 1.00 1.46 H new ATOM 0 HE ARG A 39 5.966 9.061 0.108 1.00 1.46 H new ATOM 0 HH11 ARG A 39 7.846 6.887 0.543 1.00 2.33 H new ATOM 0 HH12 ARG A 39 6.846 5.606 1.238 1.00 2.33 H new ATOM 0 HH21 ARG A 39 4.255 7.772 2.085 1.00 2.70 H new ATOM 0 HH22 ARG A 39 4.832 6.102 2.103 1.00 2.70 H new ATOM 587 N LEU A 40 4.348 14.562 -0.485 1.00 1.31 N ATOM 588 CA LEU A 40 4.472 15.984 -0.940 1.00 1.53 C ATOM 589 C LEU A 40 4.661 16.894 0.280 1.00 1.70 C ATOM 590 O LEU A 40 3.771 17.047 1.096 1.00 1.77 O ATOM 591 CB LEU A 40 3.147 16.294 -1.654 1.00 1.71 C ATOM 592 CG LEU A 40 3.417 16.688 -3.108 1.00 1.91 C ATOM 593 CD1 LEU A 40 2.150 16.458 -3.935 1.00 2.21 C ATOM 594 CD2 LEU A 40 3.801 18.168 -3.171 1.00 2.31 C ATOM 0 H LEU A 40 3.439 14.133 -0.658 1.00 1.31 H new ATOM 0 HA LEU A 40 5.325 16.144 -1.599 1.00 1.53 H new ATOM 0 HB2 LEU A 40 2.493 15.423 -1.620 1.00 1.71 H new ATOM 0 HB3 LEU A 40 2.627 17.103 -1.140 1.00 1.71 H new ATOM 0 HG LEU A 40 4.232 16.083 -3.506 1.00 1.91 H new ATOM 0 HD11 LEU A 40 2.337 16.737 -4.972 1.00 2.21 H new ATOM 0 HD12 LEU A 40 1.870 15.406 -3.887 1.00 2.21 H new ATOM 0 HD13 LEU A 40 1.339 17.067 -3.536 1.00 2.21 H new ATOM 0 HD21 LEU A 40 3.994 18.450 -4.206 1.00 2.31 H new ATOM 0 HD22 LEU A 40 2.985 18.773 -2.776 1.00 2.31 H new ATOM 0 HD23 LEU A 40 4.699 18.337 -2.576 1.00 2.31 H new ATOM 606 N GLN A 41 5.816 17.498 0.413 1.00 1.85 N ATOM 607 CA GLN A 41 6.070 18.394 1.589 1.00 2.08 C ATOM 608 C GLN A 41 5.053 19.546 1.655 1.00 2.09 C ATOM 609 O GLN A 41 4.925 20.200 2.671 1.00 2.25 O ATOM 610 CB GLN A 41 7.487 18.945 1.384 1.00 2.25 C ATOM 611 CG GLN A 41 8.164 19.132 2.751 1.00 2.61 C ATOM 612 CD GLN A 41 8.789 20.526 2.843 1.00 2.95 C ATOM 613 OE1 GLN A 41 9.668 20.865 2.079 1.00 3.17 O ATOM 614 NE2 GLN A 41 8.369 21.360 3.747 1.00 3.47 N ATOM 0 H GLN A 41 6.595 17.411 -0.240 1.00 1.85 H new ATOM 0 HA GLN A 41 5.970 17.847 2.526 1.00 2.08 H new ATOM 0 HB2 GLN A 41 8.070 18.260 0.768 1.00 2.25 H new ATOM 0 HB3 GLN A 41 7.446 19.896 0.853 1.00 2.25 H new ATOM 0 HG2 GLN A 41 7.433 19.000 3.549 1.00 2.61 H new ATOM 0 HG3 GLN A 41 8.931 18.371 2.892 1.00 2.61 H new ATOM 0 HE21 GLN A 41 7.630 21.082 4.393 1.00 3.47 H new ATOM 0 HE22 GLN A 41 8.778 22.292 3.810 1.00 3.47 H new ATOM 623 N ARG A 42 4.320 19.790 0.596 1.00 1.99 N ATOM 624 CA ARG A 42 3.307 20.894 0.628 1.00 2.10 C ATOM 625 C ARG A 42 2.066 20.417 1.377 1.00 2.17 C ATOM 626 O ARG A 42 1.717 20.937 2.423 1.00 2.40 O ATOM 627 CB ARG A 42 2.994 21.207 -0.846 1.00 2.08 C ATOM 628 CG ARG A 42 1.536 21.669 -0.998 1.00 2.22 C ATOM 629 CD ARG A 42 1.362 23.060 -0.380 1.00 2.48 C ATOM 630 NE ARG A 42 0.216 22.915 0.569 1.00 2.66 N ATOM 631 CZ ARG A 42 0.177 23.608 1.659 1.00 2.85 C ATOM 632 NH1 ARG A 42 -0.311 24.807 1.640 1.00 3.17 N ATOM 633 NH2 ARG A 42 0.623 23.096 2.760 1.00 2.82 N ATOM 0 H ARG A 42 4.377 19.277 -0.284 1.00 1.99 H new ATOM 0 HA ARG A 42 3.666 21.785 1.143 1.00 2.10 H new ATOM 0 HB2 ARG A 42 3.668 21.982 -1.211 1.00 2.08 H new ATOM 0 HB3 ARG A 42 3.167 20.321 -1.457 1.00 2.08 H new ATOM 0 HG2 ARG A 42 1.261 21.693 -2.053 1.00 2.22 H new ATOM 0 HG3 ARG A 42 0.868 20.959 -0.511 1.00 2.22 H new ATOM 0 HD2 ARG A 42 2.267 23.379 0.138 1.00 2.48 H new ATOM 0 HD3 ARG A 42 1.151 23.809 -1.144 1.00 2.48 H new ATOM 0 HE ARG A 42 -0.540 22.265 0.355 1.00 2.66 H new ATOM 0 HH11 ARG A 42 -0.663 25.201 0.767 1.00 3.17 H new ATOM 0 HH12 ARG A 42 -0.344 25.358 2.498 1.00 3.17 H new ATOM 0 HH21 ARG A 42 1.003 22.150 2.765 1.00 2.82 H new ATOM 0 HH22 ARG A 42 0.595 23.639 3.623 1.00 2.82 H new ATOM 647 N ILE A 43 1.410 19.423 0.851 1.00 2.05 N ATOM 648 CA ILE A 43 0.200 18.881 1.524 1.00 2.23 C ATOM 649 C ILE A 43 0.601 18.280 2.864 1.00 2.41 C ATOM 650 O ILE A 43 -0.105 18.399 3.845 1.00 2.70 O ATOM 651 CB ILE A 43 -0.357 17.793 0.592 1.00 2.08 C ATOM 652 CG1 ILE A 43 0.720 16.767 0.210 1.00 1.88 C ATOM 653 CG2 ILE A 43 -0.895 18.435 -0.682 1.00 2.07 C ATOM 654 CD1 ILE A 43 0.431 15.432 0.901 1.00 2.06 C ATOM 0 H ILE A 43 1.662 18.960 -0.022 1.00 2.05 H new ATOM 0 HA ILE A 43 -0.547 19.652 1.711 1.00 2.23 H new ATOM 0 HB ILE A 43 -1.154 17.277 1.128 1.00 2.08 H new ATOM 0 HG12 ILE A 43 0.739 16.631 -0.871 1.00 1.88 H new ATOM 0 HG13 ILE A 43 1.704 17.133 0.502 1.00 1.88 H new ATOM 0 HG21 ILE A 43 -1.289 17.661 -1.341 1.00 2.07 H new ATOM 0 HG22 ILE A 43 -1.691 19.136 -0.428 1.00 2.07 H new ATOM 0 HG23 ILE A 43 -0.090 18.968 -1.189 1.00 2.07 H new ATOM 0 HD11 ILE A 43 1.198 14.707 0.627 1.00 2.06 H new ATOM 0 HD12 ILE A 43 0.435 15.573 1.982 1.00 2.06 H new ATOM 0 HD13 ILE A 43 -0.546 15.064 0.587 1.00 2.06 H new ATOM 666 N SER A 44 1.747 17.644 2.894 1.00 2.35 N ATOM 667 CA SER A 44 2.265 17.003 4.153 1.00 2.66 C ATOM 668 C SER A 44 1.176 16.133 4.818 1.00 2.90 C ATOM 669 O SER A 44 1.124 14.935 4.601 1.00 2.97 O ATOM 670 CB SER A 44 2.685 18.171 5.053 1.00 2.84 C ATOM 671 OG SER A 44 3.234 17.654 6.262 1.00 3.11 O ATOM 0 H SER A 44 2.360 17.538 2.085 1.00 2.35 H new ATOM 0 HA SER A 44 3.100 16.330 3.958 1.00 2.66 H new ATOM 0 HB2 SER A 44 3.420 18.794 4.543 1.00 2.84 H new ATOM 0 HB3 SER A 44 1.826 18.805 5.271 1.00 2.84 H new ATOM 0 HG SER A 44 2.747 18.025 7.027 1.00 3.11 H new ATOM 677 N GLN A 45 0.309 16.724 5.613 1.00 3.12 N ATOM 678 CA GLN A 45 -0.781 15.934 6.281 1.00 3.40 C ATOM 679 C GLN A 45 -2.153 16.647 6.199 1.00 3.52 C ATOM 680 O GLN A 45 -3.162 16.079 6.568 1.00 3.79 O ATOM 681 CB GLN A 45 -0.342 15.800 7.744 1.00 3.80 C ATOM 682 CG GLN A 45 -0.418 17.163 8.447 1.00 4.06 C ATOM 683 CD GLN A 45 0.980 17.595 8.880 1.00 3.92 C ATOM 684 OE1 GLN A 45 1.747 18.096 8.086 1.00 3.85 O ATOM 685 NE2 GLN A 45 1.348 17.422 10.112 1.00 4.18 N ATOM 0 H GLN A 45 0.310 17.721 5.828 1.00 3.12 H new ATOM 0 HA GLN A 45 -0.916 14.970 5.791 1.00 3.40 H new ATOM 0 HB2 GLN A 45 -0.980 15.081 8.258 1.00 3.80 H new ATOM 0 HB3 GLN A 45 0.676 15.414 7.792 1.00 3.80 H new ATOM 0 HG2 GLN A 45 -0.847 17.906 7.775 1.00 4.06 H new ATOM 0 HG3 GLN A 45 -1.075 17.100 9.314 1.00 4.06 H new ATOM 0 HE21 GLN A 45 0.705 17.001 10.782 1.00 4.18 H new ATOM 0 HE22 GLN A 45 2.281 17.707 10.411 1.00 4.18 H new ATOM 694 N SER A 46 -2.207 17.879 5.737 1.00 3.41 N ATOM 695 CA SER A 46 -3.519 18.594 5.659 1.00 3.64 C ATOM 696 C SER A 46 -4.247 18.248 4.359 1.00 3.46 C ATOM 697 O SER A 46 -5.407 17.887 4.370 1.00 3.73 O ATOM 698 CB SER A 46 -3.190 20.092 5.707 1.00 3.72 C ATOM 699 OG SER A 46 -1.931 20.331 5.081 1.00 3.45 O ATOM 0 H SER A 46 -1.401 18.414 5.413 1.00 3.41 H new ATOM 0 HA SER A 46 -4.177 18.303 6.478 1.00 3.64 H new ATOM 0 HB2 SER A 46 -3.971 20.661 5.203 1.00 3.72 H new ATOM 0 HB3 SER A 46 -3.163 20.435 6.741 1.00 3.72 H new ATOM 0 HG SER A 46 -2.051 20.373 4.109 1.00 3.45 H new ATOM 705 N GLU A 47 -3.576 18.356 3.242 1.00 3.09 N ATOM 706 CA GLU A 47 -4.227 18.030 1.943 1.00 2.99 C ATOM 707 C GLU A 47 -3.898 16.582 1.544 1.00 2.72 C ATOM 708 O GLU A 47 -2.918 16.013 1.990 1.00 2.62 O ATOM 709 CB GLU A 47 -3.652 19.028 0.930 1.00 2.88 C ATOM 710 CG GLU A 47 -3.857 20.469 1.426 1.00 3.20 C ATOM 711 CD GLU A 47 -2.499 21.129 1.669 1.00 3.12 C ATOM 712 OE1 GLU A 47 -1.789 21.358 0.702 1.00 3.03 O ATOM 713 OE2 GLU A 47 -2.191 21.396 2.820 1.00 3.22 O ATOM 0 H GLU A 47 -2.604 18.657 3.175 1.00 3.09 H new ATOM 0 HA GLU A 47 -5.313 18.106 1.993 1.00 2.99 H new ATOM 0 HB2 GLU A 47 -2.590 18.835 0.782 1.00 2.88 H new ATOM 0 HB3 GLU A 47 -4.138 18.896 -0.037 1.00 2.88 H new ATOM 0 HG2 GLU A 47 -4.423 21.040 0.690 1.00 3.20 H new ATOM 0 HG3 GLU A 47 -4.441 20.467 2.346 1.00 3.20 H new ATOM 720 N ASP A 48 -4.716 15.981 0.722 1.00 2.69 N ATOM 721 CA ASP A 48 -4.466 14.565 0.307 1.00 2.48 C ATOM 722 C ASP A 48 -3.409 14.488 -0.810 1.00 2.14 C ATOM 723 O ASP A 48 -3.292 15.380 -1.634 1.00 2.15 O ATOM 724 CB ASP A 48 -5.830 14.069 -0.186 1.00 2.65 C ATOM 725 CG ASP A 48 -6.080 12.661 0.347 1.00 2.79 C ATOM 726 OD1 ASP A 48 -5.591 11.727 -0.262 1.00 2.90 O ATOM 727 OD2 ASP A 48 -6.756 12.541 1.356 1.00 2.92 O ATOM 0 H ASP A 48 -5.549 16.409 0.318 1.00 2.69 H new ATOM 0 HA ASP A 48 -4.073 13.958 1.123 1.00 2.48 H new ATOM 0 HB2 ASP A 48 -6.618 14.743 0.151 1.00 2.65 H new ATOM 0 HB3 ASP A 48 -5.857 14.067 -1.276 1.00 2.65 H new ATOM 732 N GLU A 49 -2.636 13.426 -0.845 1.00 1.98 N ATOM 733 CA GLU A 49 -1.596 13.296 -1.907 1.00 1.74 C ATOM 734 C GLU A 49 -2.248 12.869 -3.227 1.00 1.41 C ATOM 735 O GLU A 49 -2.596 11.715 -3.418 1.00 1.34 O ATOM 736 CB GLU A 49 -0.618 12.228 -1.403 1.00 1.93 C ATOM 737 CG GLU A 49 0.734 12.410 -2.105 1.00 1.95 C ATOM 738 CD GLU A 49 1.872 12.077 -1.144 1.00 1.95 C ATOM 739 OE1 GLU A 49 2.307 12.974 -0.444 1.00 2.23 O ATOM 740 OE2 GLU A 49 2.304 10.935 -1.137 1.00 2.04 O ATOM 0 H GLU A 49 -2.683 12.649 -0.185 1.00 1.98 H new ATOM 0 HA GLU A 49 -1.082 14.238 -2.097 1.00 1.74 H new ATOM 0 HB2 GLU A 49 -0.495 12.311 -0.323 1.00 1.93 H new ATOM 0 HB3 GLU A 49 -1.014 11.232 -1.603 1.00 1.93 H new ATOM 0 HG2 GLU A 49 0.787 11.765 -2.982 1.00 1.95 H new ATOM 0 HG3 GLU A 49 0.834 13.436 -2.458 1.00 1.95 H new ATOM 747 N GLU A 50 -2.433 13.805 -4.131 1.00 1.55 N ATOM 748 CA GLU A 50 -3.072 13.502 -5.440 1.00 1.45 C ATOM 749 C GLU A 50 -4.537 13.108 -5.239 1.00 1.78 C ATOM 750 O GLU A 50 -5.080 13.143 -4.147 1.00 1.92 O ATOM 751 CB GLU A 50 -2.259 12.351 -6.057 1.00 0.96 C ATOM 752 CG GLU A 50 -1.682 12.793 -7.415 1.00 1.11 C ATOM 753 CD GLU A 50 -2.607 12.368 -8.564 1.00 1.50 C ATOM 754 OE1 GLU A 50 -3.805 12.597 -8.465 1.00 1.89 O ATOM 755 OE2 GLU A 50 -2.102 11.830 -9.533 1.00 2.15 O ATOM 0 H GLU A 50 -2.161 14.780 -4.008 1.00 1.55 H new ATOM 0 HA GLU A 50 -3.073 14.370 -6.100 1.00 1.45 H new ATOM 0 HB2 GLU A 50 -1.451 12.062 -5.384 1.00 0.96 H new ATOM 0 HB3 GLU A 50 -2.893 11.474 -6.188 1.00 0.96 H new ATOM 0 HG2 GLU A 50 -1.554 13.875 -7.426 1.00 1.11 H new ATOM 0 HG3 GLU A 50 -0.694 12.354 -7.556 1.00 1.11 H new ATOM 762 N SER A 51 -5.171 12.756 -6.306 1.00 2.14 N ATOM 763 CA SER A 51 -6.610 12.360 -6.260 1.00 2.72 C ATOM 764 C SER A 51 -7.046 11.835 -7.623 1.00 3.00 C ATOM 765 O SER A 51 -7.652 10.788 -7.729 1.00 3.29 O ATOM 766 CB SER A 51 -7.376 13.636 -5.913 1.00 3.21 C ATOM 767 OG SER A 51 -7.538 13.721 -4.498 1.00 3.77 O ATOM 0 H SER A 51 -4.752 12.722 -7.235 1.00 2.14 H new ATOM 0 HA SER A 51 -6.794 11.571 -5.531 1.00 2.72 H new ATOM 0 HB2 SER A 51 -6.837 14.509 -6.282 1.00 3.21 H new ATOM 0 HB3 SER A 51 -8.350 13.633 -6.402 1.00 3.21 H new ATOM 0 HG SER A 51 -6.741 13.361 -4.055 1.00 3.77 H new ATOM 773 N ILE A 52 -6.730 12.556 -8.667 1.00 3.03 N ATOM 774 CA ILE A 52 -7.111 12.115 -10.042 1.00 3.34 C ATOM 775 C ILE A 52 -6.627 10.684 -10.311 1.00 3.20 C ATOM 776 O ILE A 52 -7.302 9.905 -10.956 1.00 3.63 O ATOM 777 CB ILE A 52 -6.454 13.135 -10.982 1.00 3.33 C ATOM 778 CG1 ILE A 52 -7.260 13.184 -12.261 1.00 3.83 C ATOM 779 CG2 ILE A 52 -5.009 12.751 -11.323 1.00 2.85 C ATOM 780 CD1 ILE A 52 -8.393 14.197 -12.102 1.00 4.39 C ATOM 0 H ILE A 52 -6.220 13.439 -8.626 1.00 3.03 H new ATOM 0 HA ILE A 52 -8.191 12.086 -10.186 1.00 3.34 H new ATOM 0 HB ILE A 52 -6.434 14.103 -10.482 1.00 3.33 H new ATOM 0 HG12 ILE A 52 -6.620 13.464 -13.098 1.00 3.83 H new ATOM 0 HG13 ILE A 52 -7.666 12.198 -12.487 1.00 3.83 H new ATOM 0 HG21 ILE A 52 -4.581 13.499 -11.990 1.00 2.85 H new ATOM 0 HG22 ILE A 52 -4.420 12.702 -10.407 1.00 2.85 H new ATOM 0 HG23 ILE A 52 -4.997 11.778 -11.814 1.00 2.85 H new ATOM 0 HD11 ILE A 52 -8.977 14.236 -13.021 1.00 4.39 H new ATOM 0 HD12 ILE A 52 -9.037 13.896 -11.275 1.00 4.39 H new ATOM 0 HD13 ILE A 52 -7.974 15.182 -11.896 1.00 4.39 H new ATOM 792 N VAL A 53 -5.481 10.329 -9.806 1.00 2.72 N ATOM 793 CA VAL A 53 -4.961 8.940 -10.010 1.00 2.80 C ATOM 794 C VAL A 53 -5.934 7.908 -9.407 1.00 3.37 C ATOM 795 O VAL A 53 -6.043 6.795 -9.883 1.00 3.74 O ATOM 796 CB VAL A 53 -3.606 8.911 -9.292 1.00 2.36 C ATOM 797 CG1 VAL A 53 -3.779 9.179 -7.790 1.00 2.31 C ATOM 798 CG2 VAL A 53 -2.969 7.538 -9.481 1.00 2.70 C ATOM 0 H VAL A 53 -4.876 10.940 -9.258 1.00 2.72 H new ATOM 0 HA VAL A 53 -4.860 8.686 -11.065 1.00 2.80 H new ATOM 0 HB VAL A 53 -2.970 9.688 -9.716 1.00 2.36 H new ATOM 0 HG11 VAL A 53 -2.805 9.154 -7.301 1.00 2.31 H new ATOM 0 HG12 VAL A 53 -4.232 10.160 -7.645 1.00 2.31 H new ATOM 0 HG13 VAL A 53 -4.423 8.414 -7.356 1.00 2.31 H new ATOM 0 HG21 VAL A 53 -2.005 7.511 -8.973 1.00 2.70 H new ATOM 0 HG22 VAL A 53 -3.622 6.773 -9.061 1.00 2.70 H new ATOM 0 HG23 VAL A 53 -2.824 7.347 -10.544 1.00 2.70 H new ATOM 808 N GLY A 54 -6.656 8.284 -8.379 1.00 3.52 N ATOM 809 CA GLY A 54 -7.639 7.348 -7.756 1.00 4.15 C ATOM 810 C GLY A 54 -9.045 7.658 -8.282 1.00 4.37 C ATOM 811 O GLY A 54 -10.031 7.160 -7.772 1.00 4.75 O ATOM 0 H GLY A 54 -6.605 9.205 -7.944 1.00 3.52 H new ATOM 0 HA2 GLY A 54 -7.372 6.317 -7.987 1.00 4.15 H new ATOM 0 HA3 GLY A 54 -7.615 7.448 -6.671 1.00 4.15 H new ATOM 815 N ASP A 55 -9.142 8.477 -9.299 1.00 4.23 N ATOM 816 CA ASP A 55 -10.468 8.825 -9.865 1.00 4.53 C ATOM 817 C ASP A 55 -10.880 7.771 -10.909 1.00 4.92 C ATOM 818 O ASP A 55 -10.557 6.604 -10.786 1.00 4.95 O ATOM 819 CB ASP A 55 -10.240 10.200 -10.503 1.00 4.46 C ATOM 820 CG ASP A 55 -11.552 10.968 -10.551 1.00 4.68 C ATOM 821 OD1 ASP A 55 -12.375 10.633 -11.389 1.00 5.08 O ATOM 822 OD2 ASP A 55 -11.716 11.872 -9.746 1.00 4.57 O ATOM 0 H ASP A 55 -8.348 8.920 -9.761 1.00 4.23 H new ATOM 0 HA ASP A 55 -11.270 8.848 -9.127 1.00 4.53 H new ATOM 0 HB2 ASP A 55 -9.501 10.759 -9.929 1.00 4.46 H new ATOM 0 HB3 ASP A 55 -9.840 10.082 -11.510 1.00 4.46 H new ATOM 827 N GLY A 56 -11.602 8.164 -11.921 1.00 5.31 N ATOM 828 CA GLY A 56 -12.042 7.189 -12.951 1.00 5.75 C ATOM 829 C GLY A 56 -13.506 7.451 -13.268 1.00 6.05 C ATOM 830 O GLY A 56 -13.941 7.298 -14.393 1.00 6.38 O ATOM 0 H GLY A 56 -11.907 9.125 -12.078 1.00 5.31 H new ATOM 0 HA2 GLY A 56 -11.436 7.289 -13.851 1.00 5.75 H new ATOM 0 HA3 GLY A 56 -11.909 6.169 -12.589 1.00 5.75 H new ATOM 834 N GLU A 57 -14.273 7.847 -12.279 1.00 6.01 N ATOM 835 CA GLU A 57 -15.715 8.119 -12.527 1.00 6.35 C ATOM 836 C GLU A 57 -16.199 9.435 -11.868 1.00 6.02 C ATOM 837 O GLU A 57 -17.386 9.722 -11.879 1.00 6.01 O ATOM 838 CB GLU A 57 -16.440 6.910 -11.928 1.00 6.70 C ATOM 839 CG GLU A 57 -17.019 6.050 -13.057 1.00 7.36 C ATOM 840 CD GLU A 57 -18.539 5.996 -12.926 1.00 7.34 C ATOM 841 OE1 GLU A 57 -19.022 5.172 -12.171 1.00 7.61 O ATOM 842 OE2 GLU A 57 -19.195 6.794 -13.579 1.00 7.17 O ATOM 0 H GLU A 57 -13.960 7.991 -11.319 1.00 6.01 H new ATOM 0 HA GLU A 57 -15.913 8.252 -13.591 1.00 6.35 H new ATOM 0 HB2 GLU A 57 -15.749 6.320 -11.325 1.00 6.70 H new ATOM 0 HB3 GLU A 57 -17.238 7.243 -11.264 1.00 6.70 H new ATOM 0 HG2 GLU A 57 -16.741 6.467 -14.025 1.00 7.36 H new ATOM 0 HG3 GLU A 57 -16.603 5.043 -13.012 1.00 7.36 H new ATOM 849 N THR A 58 -15.320 10.247 -11.308 1.00 5.75 N ATOM 850 CA THR A 58 -15.788 11.532 -10.675 1.00 5.44 C ATOM 851 C THR A 58 -16.485 12.417 -11.716 1.00 5.53 C ATOM 852 O THR A 58 -15.882 12.855 -12.678 1.00 5.71 O ATOM 853 CB THR A 58 -14.527 12.224 -10.142 1.00 5.28 C ATOM 854 OG1 THR A 58 -14.143 11.628 -8.916 1.00 5.80 O ATOM 855 CG2 THR A 58 -14.785 13.709 -9.896 1.00 5.50 C ATOM 0 H THR A 58 -14.315 10.079 -11.262 1.00 5.75 H new ATOM 0 HA THR A 58 -16.508 11.346 -9.878 1.00 5.44 H new ATOM 0 HB THR A 58 -13.738 12.114 -10.886 1.00 5.28 H new ATOM 0 HG1 THR A 58 -13.178 11.738 -8.787 1.00 5.80 H new ATOM 0 HG21 THR A 58 -13.877 14.178 -9.518 1.00 5.50 H new ATOM 0 HG22 THR A 58 -15.079 14.187 -10.831 1.00 5.50 H new ATOM 0 HG23 THR A 58 -15.584 13.823 -9.163 1.00 5.50 H new ATOM 863 N LYS A 59 -17.753 12.684 -11.525 1.00 5.46 N ATOM 864 CA LYS A 59 -18.499 13.541 -12.497 1.00 5.58 C ATOM 865 C LYS A 59 -19.352 14.582 -11.762 1.00 5.26 C ATOM 866 O LYS A 59 -19.674 14.424 -10.599 1.00 5.00 O ATOM 867 CB LYS A 59 -19.382 12.571 -13.297 1.00 5.87 C ATOM 868 CG LYS A 59 -20.609 12.140 -12.475 1.00 5.75 C ATOM 869 CD LYS A 59 -20.303 10.840 -11.722 1.00 5.84 C ATOM 870 CE LYS A 59 -20.615 9.630 -12.613 1.00 6.21 C ATOM 871 NZ LYS A 59 -19.310 9.226 -13.217 1.00 6.48 N ATOM 0 H LYS A 59 -18.304 12.345 -10.737 1.00 5.46 H new ATOM 0 HA LYS A 59 -17.825 14.101 -13.146 1.00 5.58 H new ATOM 0 HB2 LYS A 59 -19.708 13.048 -14.221 1.00 5.87 H new ATOM 0 HB3 LYS A 59 -18.801 11.693 -13.579 1.00 5.87 H new ATOM 0 HG2 LYS A 59 -20.878 12.925 -11.768 1.00 5.75 H new ATOM 0 HG3 LYS A 59 -21.466 11.996 -13.133 1.00 5.75 H new ATOM 0 HD2 LYS A 59 -19.255 10.821 -11.424 1.00 5.84 H new ATOM 0 HD3 LYS A 59 -20.895 10.791 -10.808 1.00 5.84 H new ATOM 0 HE2 LYS A 59 -21.046 8.816 -12.031 1.00 6.21 H new ATOM 0 HE3 LYS A 59 -21.340 9.888 -13.385 1.00 6.21 H new ATOM 0 HZ1 LYS A 59 -19.236 8.189 -13.223 1.00 6.48 H new ATOM 0 HZ2 LYS A 59 -19.254 9.582 -14.192 1.00 6.48 H new ATOM 0 HZ3 LYS A 59 -18.530 9.625 -12.657 1.00 6.48 H new ATOM 885 N GLU A 60 -19.721 15.638 -12.445 1.00 5.31 N ATOM 886 CA GLU A 60 -20.562 16.708 -11.816 1.00 5.04 C ATOM 887 C GLU A 60 -20.025 17.092 -10.420 1.00 4.70 C ATOM 888 O GLU A 60 -20.745 17.038 -9.439 1.00 4.43 O ATOM 889 CB GLU A 60 -21.963 16.092 -11.725 1.00 5.01 C ATOM 890 CG GLU A 60 -22.954 16.963 -12.504 1.00 5.19 C ATOM 891 CD GLU A 60 -24.377 16.694 -12.015 1.00 4.61 C ATOM 892 OE1 GLU A 60 -24.714 17.164 -10.938 1.00 4.40 O ATOM 893 OE2 GLU A 60 -25.106 16.025 -12.729 1.00 4.66 O ATOM 0 H GLU A 60 -19.474 15.807 -13.420 1.00 5.31 H new ATOM 0 HA GLU A 60 -20.557 17.631 -12.395 1.00 5.04 H new ATOM 0 HB2 GLU A 60 -21.954 15.080 -12.131 1.00 5.01 H new ATOM 0 HB3 GLU A 60 -22.271 16.015 -10.682 1.00 5.01 H new ATOM 0 HG2 GLU A 60 -22.708 18.017 -12.372 1.00 5.19 H new ATOM 0 HG3 GLU A 60 -22.880 16.749 -13.570 1.00 5.19 H new ATOM 900 N PRO A 61 -18.768 17.483 -10.373 1.00 4.76 N ATOM 901 CA PRO A 61 -18.142 17.881 -9.081 1.00 4.48 C ATOM 902 C PRO A 61 -18.848 19.117 -8.520 1.00 4.22 C ATOM 903 O PRO A 61 -19.299 19.974 -9.258 1.00 4.32 O ATOM 904 CB PRO A 61 -16.688 18.162 -9.455 1.00 4.68 C ATOM 905 CG PRO A 61 -16.730 18.470 -10.912 1.00 5.02 C ATOM 906 CD PRO A 61 -17.825 17.612 -11.489 1.00 5.12 C ATOM 0 HA PRO A 61 -18.216 17.123 -8.301 1.00 4.48 H new ATOM 0 HB2 PRO A 61 -16.286 18.999 -8.884 1.00 4.68 H new ATOM 0 HB3 PRO A 61 -16.052 17.301 -9.250 1.00 4.68 H new ATOM 0 HG2 PRO A 61 -16.934 19.527 -11.081 1.00 5.02 H new ATOM 0 HG3 PRO A 61 -15.773 18.250 -11.385 1.00 5.02 H new ATOM 0 HD2 PRO A 61 -18.289 18.080 -12.357 1.00 5.12 H new ATOM 0 HD3 PRO A 61 -17.449 16.642 -11.813 1.00 5.12 H new ATOM 914 N PHE A 62 -18.985 19.186 -7.219 1.00 3.92 N ATOM 915 CA PHE A 62 -19.712 20.330 -6.563 1.00 3.67 C ATOM 916 C PHE A 62 -21.211 20.235 -6.882 1.00 3.59 C ATOM 917 O PHE A 62 -22.044 20.237 -5.998 1.00 3.33 O ATOM 918 CB PHE A 62 -19.101 21.628 -7.120 1.00 3.86 C ATOM 919 CG PHE A 62 -19.416 22.779 -6.184 1.00 3.65 C ATOM 920 CD1 PHE A 62 -20.618 23.488 -6.323 1.00 3.47 C ATOM 921 CD2 PHE A 62 -18.502 23.144 -5.184 1.00 4.09 C ATOM 922 CE1 PHE A 62 -20.905 24.557 -5.467 1.00 3.48 C ATOM 923 CE2 PHE A 62 -18.793 24.213 -4.327 1.00 4.03 C ATOM 924 CZ PHE A 62 -19.995 24.917 -4.471 1.00 3.60 C ATOM 0 H PHE A 62 -18.620 18.490 -6.569 1.00 3.92 H new ATOM 0 HA PHE A 62 -19.608 20.306 -5.478 1.00 3.67 H new ATOM 0 HB2 PHE A 62 -18.022 21.518 -7.227 1.00 3.86 H new ATOM 0 HB3 PHE A 62 -19.501 21.833 -8.113 1.00 3.86 H new ATOM 0 HD1 PHE A 62 -21.323 23.208 -7.092 1.00 3.47 H new ATOM 0 HD2 PHE A 62 -17.575 22.601 -5.075 1.00 4.09 H new ATOM 0 HE1 PHE A 62 -21.830 25.103 -5.577 1.00 3.48 H new ATOM 0 HE2 PHE A 62 -18.091 24.494 -3.556 1.00 4.03 H new ATOM 0 HZ PHE A 62 -20.219 25.741 -3.810 1.00 3.60 H new ATOM 934 N LEU A 63 -21.548 20.134 -8.139 1.00 3.83 N ATOM 935 CA LEU A 63 -22.985 20.023 -8.543 1.00 3.78 C ATOM 936 C LEU A 63 -23.625 18.754 -7.964 1.00 3.65 C ATOM 937 O LEU A 63 -24.746 18.784 -7.489 1.00 3.43 O ATOM 938 CB LEU A 63 -22.968 19.983 -10.079 1.00 4.15 C ATOM 939 CG LEU A 63 -22.947 21.412 -10.634 1.00 4.31 C ATOM 940 CD1 LEU A 63 -22.060 21.468 -11.881 1.00 4.75 C ATOM 941 CD2 LEU A 63 -24.370 21.825 -11.009 1.00 4.35 C ATOM 0 H LEU A 63 -20.884 20.123 -8.913 1.00 3.83 H new ATOM 0 HA LEU A 63 -23.578 20.856 -8.166 1.00 3.78 H new ATOM 0 HB2 LEU A 63 -22.093 19.434 -10.428 1.00 4.15 H new ATOM 0 HB3 LEU A 63 -23.846 19.452 -10.448 1.00 4.15 H new ATOM 0 HG LEU A 63 -22.551 22.090 -9.878 1.00 4.31 H new ATOM 0 HD11 LEU A 63 -22.047 22.485 -12.273 1.00 4.75 H new ATOM 0 HD12 LEU A 63 -21.045 21.167 -11.620 1.00 4.75 H new ATOM 0 HD13 LEU A 63 -22.455 20.792 -12.639 1.00 4.75 H new ATOM 0 HD21 LEU A 63 -24.362 22.841 -11.404 1.00 4.35 H new ATOM 0 HD22 LEU A 63 -24.759 21.144 -11.766 1.00 4.35 H new ATOM 0 HD23 LEU A 63 -25.005 21.785 -10.124 1.00 4.35 H new ATOM 953 N LEU A 64 -22.927 17.649 -7.988 1.00 3.83 N ATOM 954 CA LEU A 64 -23.505 16.384 -7.430 1.00 3.81 C ATOM 955 C LEU A 64 -23.893 16.584 -5.956 1.00 3.45 C ATOM 956 O LEU A 64 -25.037 16.403 -5.580 1.00 3.35 O ATOM 957 CB LEU A 64 -22.405 15.326 -7.571 1.00 4.08 C ATOM 958 CG LEU A 64 -23.046 13.939 -7.581 1.00 4.22 C ATOM 959 CD1 LEU A 64 -22.671 13.209 -8.869 1.00 4.74 C ATOM 960 CD2 LEU A 64 -22.550 13.139 -6.376 1.00 4.34 C ATOM 0 H LEU A 64 -21.984 17.565 -8.368 1.00 3.83 H new ATOM 0 HA LEU A 64 -24.411 16.082 -7.956 1.00 3.81 H new ATOM 0 HB2 LEU A 64 -21.843 15.488 -8.491 1.00 4.08 H new ATOM 0 HB3 LEU A 64 -21.697 15.407 -6.746 1.00 4.08 H new ATOM 0 HG LEU A 64 -24.130 14.041 -7.528 1.00 4.22 H new ATOM 0 HD11 LEU A 64 -23.129 12.220 -8.873 1.00 4.74 H new ATOM 0 HD12 LEU A 64 -23.028 13.778 -9.727 1.00 4.74 H new ATOM 0 HD13 LEU A 64 -21.587 13.107 -8.927 1.00 4.74 H new ATOM 0 HD21 LEU A 64 -23.007 12.150 -6.383 1.00 4.34 H new ATOM 0 HD22 LEU A 64 -21.466 13.038 -6.427 1.00 4.34 H new ATOM 0 HD23 LEU A 64 -22.823 13.658 -5.457 1.00 4.34 H new ATOM 972 N VAL A 65 -22.957 16.973 -5.120 1.00 3.29 N ATOM 973 CA VAL A 65 -23.291 17.202 -3.681 1.00 2.98 C ATOM 974 C VAL A 65 -24.274 18.372 -3.553 1.00 2.71 C ATOM 975 O VAL A 65 -25.155 18.361 -2.709 1.00 2.50 O ATOM 976 CB VAL A 65 -21.963 17.508 -2.971 1.00 2.98 C ATOM 977 CG1 VAL A 65 -21.032 16.297 -3.060 1.00 3.28 C ATOM 978 CG2 VAL A 65 -21.276 18.720 -3.607 1.00 3.04 C ATOM 0 H VAL A 65 -21.983 17.140 -5.372 1.00 3.29 H new ATOM 0 HA VAL A 65 -23.771 16.332 -3.233 1.00 2.98 H new ATOM 0 HB VAL A 65 -22.178 17.731 -1.926 1.00 2.98 H new ATOM 0 HG11 VAL A 65 -20.093 16.522 -2.554 1.00 3.28 H new ATOM 0 HG12 VAL A 65 -21.505 15.439 -2.582 1.00 3.28 H new ATOM 0 HG13 VAL A 65 -20.834 16.066 -4.107 1.00 3.28 H new ATOM 0 HG21 VAL A 65 -20.338 18.920 -3.089 1.00 3.04 H new ATOM 0 HG22 VAL A 65 -21.074 18.514 -4.658 1.00 3.04 H new ATOM 0 HG23 VAL A 65 -21.927 19.591 -3.527 1.00 3.04 H new ATOM 988 N GLN A 66 -24.150 19.363 -4.403 1.00 2.78 N ATOM 989 CA GLN A 66 -25.099 20.517 -4.355 1.00 2.59 C ATOM 990 C GLN A 66 -26.516 20.002 -4.612 1.00 2.51 C ATOM 991 O GLN A 66 -27.436 20.293 -3.877 1.00 2.28 O ATOM 992 CB GLN A 66 -24.637 21.465 -5.470 1.00 2.84 C ATOM 993 CG GLN A 66 -25.259 22.851 -5.274 1.00 2.78 C ATOM 994 CD GLN A 66 -25.399 23.542 -6.630 1.00 3.07 C ATOM 995 OE1 GLN A 66 -26.497 23.805 -7.079 1.00 3.03 O ATOM 996 NE2 GLN A 66 -24.330 23.843 -7.311 1.00 3.46 N ATOM 0 H GLN A 66 -23.433 19.422 -5.126 1.00 2.78 H new ATOM 0 HA GLN A 66 -25.109 21.027 -3.392 1.00 2.59 H new ATOM 0 HB2 GLN A 66 -23.550 21.542 -5.465 1.00 2.84 H new ATOM 0 HB3 GLN A 66 -24.924 21.063 -6.442 1.00 2.84 H new ATOM 0 HG2 GLN A 66 -26.235 22.759 -4.798 1.00 2.78 H new ATOM 0 HG3 GLN A 66 -24.636 23.451 -4.611 1.00 2.78 H new ATOM 0 HE21 GLN A 66 -23.407 23.623 -6.936 1.00 3.46 H new ATOM 0 HE22 GLN A 66 -24.416 24.299 -8.220 1.00 3.46 H new ATOM 1005 N TYR A 67 -26.680 19.210 -5.635 1.00 2.76 N ATOM 1006 CA TYR A 67 -28.025 18.633 -5.943 1.00 2.76 C ATOM 1007 C TYR A 67 -28.414 17.614 -4.866 1.00 2.67 C ATOM 1008 O TYR A 67 -29.545 17.571 -4.418 1.00 2.52 O ATOM 1009 CB TYR A 67 -27.875 17.962 -7.313 1.00 3.15 C ATOM 1010 CG TYR A 67 -28.261 18.948 -8.392 1.00 3.28 C ATOM 1011 CD1 TYR A 67 -29.611 19.198 -8.662 1.00 3.26 C ATOM 1012 CD2 TYR A 67 -27.269 19.623 -9.113 1.00 3.51 C ATOM 1013 CE1 TYR A 67 -29.968 20.122 -9.653 1.00 3.44 C ATOM 1014 CE2 TYR A 67 -27.628 20.548 -10.101 1.00 3.72 C ATOM 1015 CZ TYR A 67 -28.975 20.796 -10.370 1.00 3.67 C ATOM 1016 OH TYR A 67 -29.325 21.710 -11.341 1.00 3.92 O ATOM 0 H TYR A 67 -25.937 18.934 -6.277 1.00 2.76 H new ATOM 0 HA TYR A 67 -28.810 19.389 -5.959 1.00 2.76 H new ATOM 0 HB2 TYR A 67 -26.847 17.629 -7.458 1.00 3.15 H new ATOM 0 HB3 TYR A 67 -28.508 17.076 -7.369 1.00 3.15 H new ATOM 0 HD1 TYR A 67 -30.378 18.679 -8.106 1.00 3.26 H new ATOM 0 HD2 TYR A 67 -26.226 19.430 -8.907 1.00 3.51 H new ATOM 0 HE1 TYR A 67 -31.010 20.313 -9.863 1.00 3.44 H new ATOM 0 HE2 TYR A 67 -26.862 21.070 -10.655 1.00 3.72 H new ATOM 0 HH TYR A 67 -28.515 22.088 -11.742 1.00 3.92 H new ATOM 1026 N SER A 68 -27.476 16.813 -4.436 1.00 2.83 N ATOM 1027 CA SER A 68 -27.773 15.803 -3.368 1.00 2.88 C ATOM 1028 C SER A 68 -28.204 16.510 -2.075 1.00 2.58 C ATOM 1029 O SER A 68 -29.084 16.049 -1.377 1.00 2.61 O ATOM 1030 CB SER A 68 -26.468 15.039 -3.142 1.00 3.11 C ATOM 1031 OG SER A 68 -26.757 13.654 -2.998 1.00 2.96 O ATOM 0 H SER A 68 -26.514 16.811 -4.776 1.00 2.83 H new ATOM 0 HA SER A 68 -28.584 15.136 -3.660 1.00 2.88 H new ATOM 0 HB2 SER A 68 -25.790 15.196 -3.981 1.00 3.11 H new ATOM 0 HB3 SER A 68 -25.964 15.412 -2.251 1.00 3.11 H new ATOM 0 HG SER A 68 -25.923 13.159 -2.855 1.00 2.96 H new ATOM 1037 N ALA A 69 -27.598 17.630 -1.757 1.00 2.36 N ATOM 1038 CA ALA A 69 -27.990 18.363 -0.517 1.00 2.15 C ATOM 1039 C ALA A 69 -29.218 19.232 -0.794 1.00 1.94 C ATOM 1040 O ALA A 69 -30.133 19.297 0.005 1.00 1.89 O ATOM 1041 CB ALA A 69 -26.782 19.227 -0.150 1.00 2.12 C ATOM 0 H ALA A 69 -26.853 18.064 -2.301 1.00 2.36 H new ATOM 0 HA ALA A 69 -28.253 17.687 0.296 1.00 2.15 H new ATOM 0 HB1 ALA A 69 -27.002 19.794 0.755 1.00 2.12 H new ATOM 0 HB2 ALA A 69 -25.917 18.587 0.024 1.00 2.12 H new ATOM 0 HB3 ALA A 69 -26.566 19.916 -0.967 1.00 2.12 H new ATOM 1047 N LYS A 70 -29.248 19.891 -1.924 1.00 1.90 N ATOM 1048 CA LYS A 70 -30.426 20.755 -2.258 1.00 1.76 C ATOM 1049 C LYS A 70 -31.682 19.905 -2.445 1.00 1.74 C ATOM 1050 O LYS A 70 -32.757 20.319 -2.088 1.00 1.62 O ATOM 1051 CB LYS A 70 -30.063 21.511 -3.551 1.00 1.91 C ATOM 1052 CG LYS A 70 -30.507 20.718 -4.790 1.00 2.10 C ATOM 1053 CD LYS A 70 -30.327 21.574 -6.050 1.00 2.33 C ATOM 1054 CE LYS A 70 -28.844 21.901 -6.253 1.00 2.51 C ATOM 1055 NZ LYS A 70 -28.832 23.192 -6.999 1.00 2.72 N ATOM 0 H LYS A 70 -28.511 19.870 -2.629 1.00 1.90 H new ATOM 0 HA LYS A 70 -30.644 21.456 -1.452 1.00 1.76 H new ATOM 0 HB2 LYS A 70 -30.540 22.491 -3.551 1.00 1.91 H new ATOM 0 HB3 LYS A 70 -28.987 21.680 -3.589 1.00 1.91 H new ATOM 0 HG2 LYS A 70 -29.922 19.802 -4.875 1.00 2.10 H new ATOM 0 HG3 LYS A 70 -31.551 20.421 -4.688 1.00 2.10 H new ATOM 0 HD2 LYS A 70 -30.713 21.042 -6.919 1.00 2.33 H new ATOM 0 HD3 LYS A 70 -30.902 22.495 -5.959 1.00 2.33 H new ATOM 0 HE2 LYS A 70 -28.326 21.992 -5.298 1.00 2.51 H new ATOM 0 HE3 LYS A 70 -28.340 21.115 -6.816 1.00 2.51 H new ATOM 0 HZ1 LYS A 70 -27.852 23.524 -7.102 1.00 2.72 H new ATOM 0 HZ2 LYS A 70 -29.251 23.053 -7.941 1.00 2.72 H new ATOM 0 HZ3 LYS A 70 -29.385 23.901 -6.476 1.00 2.72 H new ATOM 1069 N GLY A 71 -31.557 18.722 -2.992 1.00 1.96 N ATOM 1070 CA GLY A 71 -32.760 17.847 -3.192 1.00 2.05 C ATOM 1071 C GLY A 71 -33.633 17.889 -1.936 1.00 1.95 C ATOM 1072 O GLY A 71 -34.743 18.386 -1.975 1.00 1.83 O ATOM 0 H GLY A 71 -30.675 18.321 -3.310 1.00 1.96 H new ATOM 0 HA2 GLY A 71 -33.331 18.186 -4.056 1.00 2.05 H new ATOM 0 HA3 GLY A 71 -32.448 16.823 -3.398 1.00 2.05 H new ATOM 1076 N PRO A 72 -33.087 17.399 -0.848 1.00 2.09 N ATOM 1077 CA PRO A 72 -33.819 17.425 0.440 1.00 2.16 C ATOM 1078 C PRO A 72 -33.940 18.872 0.949 1.00 1.95 C ATOM 1079 O PRO A 72 -35.003 19.299 1.357 1.00 1.99 O ATOM 1080 CB PRO A 72 -32.952 16.569 1.365 1.00 2.44 C ATOM 1081 CG PRO A 72 -31.580 16.637 0.774 1.00 2.38 C ATOM 1082 CD PRO A 72 -31.759 16.781 -0.714 1.00 2.28 C ATOM 0 HA PRO A 72 -34.839 17.048 0.371 1.00 2.16 H new ATOM 0 HB2 PRO A 72 -32.963 16.953 2.385 1.00 2.44 H new ATOM 0 HB3 PRO A 72 -33.314 15.542 1.408 1.00 2.44 H new ATOM 0 HG2 PRO A 72 -31.024 17.482 1.181 1.00 2.38 H new ATOM 0 HG3 PRO A 72 -31.011 15.738 1.011 1.00 2.38 H new ATOM 0 HD2 PRO A 72 -30.981 17.406 -1.152 1.00 2.28 H new ATOM 0 HD3 PRO A 72 -31.714 15.816 -1.218 1.00 2.28 H new ATOM 1090 N CYS A 73 -32.872 19.640 0.911 1.00 1.83 N ATOM 1091 CA CYS A 73 -32.960 21.062 1.385 1.00 1.77 C ATOM 1092 C CYS A 73 -34.072 21.800 0.633 1.00 1.66 C ATOM 1093 O CYS A 73 -34.856 22.524 1.219 1.00 1.78 O ATOM 1094 CB CYS A 73 -31.594 21.689 1.092 1.00 1.74 C ATOM 1095 SG CYS A 73 -31.151 22.819 2.434 1.00 2.30 S ATOM 0 H CYS A 73 -31.954 19.348 0.576 1.00 1.83 H new ATOM 0 HA CYS A 73 -33.199 21.121 2.447 1.00 1.77 H new ATOM 0 HB2 CYS A 73 -30.838 20.910 0.993 1.00 1.74 H new ATOM 0 HB3 CYS A 73 -31.624 22.226 0.144 1.00 1.74 H new ATOM 0 HG CYS A 73 -29.990 23.351 2.188 1.00 2.30 H new ATOM 1101 N VAL A 74 -34.164 21.593 -0.652 1.00 1.54 N ATOM 1102 CA VAL A 74 -35.240 22.252 -1.452 1.00 1.50 C ATOM 1103 C VAL A 74 -36.567 21.572 -1.145 1.00 1.54 C ATOM 1104 O VAL A 74 -37.555 22.222 -0.899 1.00 1.61 O ATOM 1105 CB VAL A 74 -34.843 22.075 -2.921 1.00 1.51 C ATOM 1106 CG1 VAL A 74 -36.008 22.485 -3.826 1.00 1.57 C ATOM 1107 CG2 VAL A 74 -33.637 22.964 -3.231 1.00 1.72 C ATOM 0 H VAL A 74 -33.537 20.992 -1.187 1.00 1.54 H new ATOM 0 HA VAL A 74 -35.354 23.311 -1.218 1.00 1.50 H new ATOM 0 HB VAL A 74 -34.592 21.030 -3.100 1.00 1.51 H new ATOM 0 HG11 VAL A 74 -35.720 22.357 -4.870 1.00 1.57 H new ATOM 0 HG12 VAL A 74 -36.874 21.860 -3.609 1.00 1.57 H new ATOM 0 HG13 VAL A 74 -36.260 23.530 -3.644 1.00 1.57 H new ATOM 0 HG21 VAL A 74 -33.352 22.840 -4.276 1.00 1.72 H new ATOM 0 HG22 VAL A 74 -33.897 24.007 -3.047 1.00 1.72 H new ATOM 0 HG23 VAL A 74 -32.801 22.680 -2.591 1.00 1.72 H new ATOM 1117 N GLU A 75 -36.584 20.267 -1.119 1.00 1.61 N ATOM 1118 CA GLU A 75 -37.847 19.540 -0.777 1.00 1.77 C ATOM 1119 C GLU A 75 -38.410 20.110 0.534 1.00 1.91 C ATOM 1120 O GLU A 75 -39.589 20.396 0.658 1.00 1.99 O ATOM 1121 CB GLU A 75 -37.416 18.077 -0.597 1.00 2.04 C ATOM 1122 CG GLU A 75 -38.632 17.208 -0.245 1.00 2.46 C ATOM 1123 CD GLU A 75 -38.377 16.460 1.061 1.00 2.86 C ATOM 1124 OE1 GLU A 75 -37.495 15.614 1.081 1.00 2.87 O ATOM 1125 OE2 GLU A 75 -39.079 16.736 2.025 1.00 3.28 O ATOM 0 H GLU A 75 -35.781 19.671 -1.319 1.00 1.61 H new ATOM 0 HA GLU A 75 -38.623 19.638 -1.536 1.00 1.77 H new ATOM 0 HB2 GLU A 75 -36.951 17.712 -1.513 1.00 2.04 H new ATOM 0 HB3 GLU A 75 -36.667 18.005 0.192 1.00 2.04 H new ATOM 0 HG2 GLU A 75 -39.520 17.832 -0.149 1.00 2.46 H new ATOM 0 HG3 GLU A 75 -38.827 16.498 -1.049 1.00 2.46 H new ATOM 1132 N ARG A 76 -37.552 20.294 1.499 1.00 2.01 N ATOM 1133 CA ARG A 76 -37.982 20.853 2.811 1.00 2.27 C ATOM 1134 C ARG A 76 -38.277 22.361 2.695 1.00 2.27 C ATOM 1135 O ARG A 76 -39.319 22.822 3.127 1.00 2.48 O ATOM 1136 CB ARG A 76 -36.806 20.584 3.759 1.00 2.41 C ATOM 1137 CG ARG A 76 -37.031 19.256 4.499 1.00 2.67 C ATOM 1138 CD ARG A 76 -36.126 18.175 3.895 1.00 2.83 C ATOM 1139 NE ARG A 76 -36.931 16.917 3.925 1.00 3.01 N ATOM 1140 CZ ARG A 76 -36.347 15.776 4.120 1.00 3.35 C ATOM 1141 NH1 ARG A 76 -35.811 15.514 5.269 1.00 3.72 N ATOM 1142 NH2 ARG A 76 -36.302 14.907 3.163 1.00 3.42 N ATOM 0 H ARG A 76 -36.557 20.078 1.433 1.00 2.01 H new ATOM 0 HA ARG A 76 -38.904 20.396 3.172 1.00 2.27 H new ATOM 0 HB2 ARG A 76 -35.874 20.544 3.195 1.00 2.41 H new ATOM 0 HB3 ARG A 76 -36.710 21.399 4.476 1.00 2.41 H new ATOM 0 HG2 ARG A 76 -36.813 19.377 5.560 1.00 2.67 H new ATOM 0 HG3 ARG A 76 -38.076 18.956 4.421 1.00 2.67 H new ATOM 0 HD2 ARG A 76 -35.836 18.431 2.876 1.00 2.83 H new ATOM 0 HD3 ARG A 76 -35.207 18.066 4.471 1.00 2.83 H new ATOM 0 HE ARG A 76 -37.942 16.956 3.792 1.00 3.01 H new ATOM 0 HH11 ARG A 76 -35.849 16.205 6.019 1.00 3.72 H new ATOM 0 HH12 ARG A 76 -35.351 14.617 5.425 1.00 3.72 H new ATOM 0 HH21 ARG A 76 -36.725 15.121 2.260 1.00 3.42 H new ATOM 0 HH22 ARG A 76 -35.844 14.008 3.312 1.00 3.42 H new ATOM 1156 N LYS A 77 -37.385 23.138 2.113 1.00 2.13 N ATOM 1157 CA LYS A 77 -37.660 24.610 1.987 1.00 2.27 C ATOM 1158 C LYS A 77 -38.838 24.868 1.033 1.00 2.25 C ATOM 1159 O LYS A 77 -39.440 25.925 1.064 1.00 2.50 O ATOM 1160 CB LYS A 77 -36.348 25.253 1.487 1.00 2.18 C ATOM 1161 CG LYS A 77 -36.384 25.526 -0.031 1.00 2.08 C ATOM 1162 CD LYS A 77 -36.177 27.027 -0.292 1.00 2.37 C ATOM 1163 CE LYS A 77 -37.433 27.630 -0.934 1.00 2.50 C ATOM 1164 NZ LYS A 77 -38.318 27.996 0.212 1.00 2.73 N ATOM 0 H LYS A 77 -36.495 22.823 1.727 1.00 2.13 H new ATOM 0 HA LYS A 77 -37.955 25.048 2.940 1.00 2.27 H new ATOM 0 HB2 LYS A 77 -36.176 26.188 2.020 1.00 2.18 H new ATOM 0 HB3 LYS A 77 -35.510 24.595 1.718 1.00 2.18 H new ATOM 0 HG2 LYS A 77 -35.607 24.949 -0.533 1.00 2.08 H new ATOM 0 HG3 LYS A 77 -37.339 25.203 -0.446 1.00 2.08 H new ATOM 0 HD2 LYS A 77 -35.956 27.540 0.644 1.00 2.37 H new ATOM 0 HD3 LYS A 77 -35.318 27.175 -0.947 1.00 2.37 H new ATOM 0 HE2 LYS A 77 -37.187 28.504 -1.537 1.00 2.50 H new ATOM 0 HE3 LYS A 77 -37.920 26.914 -1.595 1.00 2.50 H new ATOM 0 HZ1 LYS A 77 -39.254 28.272 -0.147 1.00 2.73 H new ATOM 0 HZ2 LYS A 77 -38.418 27.179 0.848 1.00 2.73 H new ATOM 0 HZ3 LYS A 77 -37.899 28.792 0.734 1.00 2.73 H new ATOM 1178 N ALA A 78 -39.171 23.917 0.199 1.00 2.01 N ATOM 1179 CA ALA A 78 -40.319 24.095 -0.740 1.00 2.02 C ATOM 1180 C ALA A 78 -41.608 23.678 -0.027 1.00 2.20 C ATOM 1181 O ALA A 78 -42.634 24.326 -0.137 1.00 2.37 O ATOM 1182 CB ALA A 78 -40.020 23.178 -1.928 1.00 1.79 C ATOM 0 H ALA A 78 -38.694 23.018 0.128 1.00 2.01 H new ATOM 0 HA ALA A 78 -40.446 25.126 -1.071 1.00 2.02 H new ATOM 0 HB1 ALA A 78 -40.824 23.257 -2.660 1.00 1.79 H new ATOM 0 HB2 ALA A 78 -39.078 23.476 -2.389 1.00 1.79 H new ATOM 0 HB3 ALA A 78 -39.945 22.147 -1.582 1.00 1.79 H new ATOM 1188 N LYS A 79 -41.544 22.620 0.738 1.00 2.22 N ATOM 1189 CA LYS A 79 -42.744 22.176 1.510 1.00 2.49 C ATOM 1190 C LYS A 79 -43.029 23.220 2.595 1.00 2.78 C ATOM 1191 O LYS A 79 -44.163 23.537 2.892 1.00 3.00 O ATOM 1192 CB LYS A 79 -42.352 20.838 2.148 1.00 2.57 C ATOM 1193 CG LYS A 79 -42.539 19.705 1.133 1.00 2.46 C ATOM 1194 CD LYS A 79 -41.650 18.516 1.519 1.00 2.86 C ATOM 1195 CE LYS A 79 -42.507 17.270 1.749 1.00 3.41 C ATOM 1196 NZ LYS A 79 -41.536 16.195 2.132 1.00 3.64 N ATOM 0 H LYS A 79 -40.712 22.043 0.862 1.00 2.22 H new ATOM 0 HA LYS A 79 -43.634 22.068 0.890 1.00 2.49 H new ATOM 0 HB2 LYS A 79 -41.315 20.873 2.481 1.00 2.57 H new ATOM 0 HB3 LYS A 79 -42.964 20.652 3.031 1.00 2.57 H new ATOM 0 HG2 LYS A 79 -43.584 19.397 1.106 1.00 2.46 H new ATOM 0 HG3 LYS A 79 -42.283 20.054 0.132 1.00 2.46 H new ATOM 0 HD2 LYS A 79 -40.922 18.325 0.730 1.00 2.86 H new ATOM 0 HD3 LYS A 79 -41.087 18.751 2.422 1.00 2.86 H new ATOM 0 HE2 LYS A 79 -43.242 17.437 2.537 1.00 3.41 H new ATOM 0 HE3 LYS A 79 -43.060 17.000 0.849 1.00 3.41 H new ATOM 0 HZ1 LYS A 79 -41.417 15.535 1.337 1.00 3.64 H new ATOM 0 HZ2 LYS A 79 -40.618 16.624 2.367 1.00 3.64 H new ATOM 0 HZ3 LYS A 79 -41.898 15.679 2.959 1.00 3.64 H new ATOM 1210 N LEU A 80 -41.984 23.758 3.176 1.00 2.83 N ATOM 1211 CA LEU A 80 -42.145 24.792 4.233 1.00 3.17 C ATOM 1212 C LEU A 80 -42.394 26.171 3.603 1.00 3.23 C ATOM 1213 O LEU A 80 -43.174 26.958 4.103 1.00 3.51 O ATOM 1214 CB LEU A 80 -40.821 24.760 5.001 1.00 3.23 C ATOM 1215 CG LEU A 80 -40.921 25.653 6.238 1.00 3.61 C ATOM 1216 CD1 LEU A 80 -41.156 24.782 7.471 1.00 3.86 C ATOM 1217 CD2 LEU A 80 -39.617 26.430 6.411 1.00 3.74 C ATOM 0 H LEU A 80 -41.017 23.518 2.957 1.00 2.83 H new ATOM 0 HA LEU A 80 -42.998 24.601 4.884 1.00 3.17 H new ATOM 0 HB2 LEU A 80 -40.586 23.738 5.297 1.00 3.23 H new ATOM 0 HB3 LEU A 80 -40.009 25.101 4.359 1.00 3.23 H new ATOM 0 HG LEU A 80 -41.749 26.352 6.118 1.00 3.61 H new ATOM 0 HD11 LEU A 80 -41.228 25.415 8.355 1.00 3.86 H new ATOM 0 HD12 LEU A 80 -42.083 24.222 7.349 1.00 3.86 H new ATOM 0 HD13 LEU A 80 -40.325 24.087 7.589 1.00 3.86 H new ATOM 0 HD21 LEU A 80 -39.687 27.067 7.293 1.00 3.74 H new ATOM 0 HD22 LEU A 80 -38.790 25.730 6.534 1.00 3.74 H new ATOM 0 HD23 LEU A 80 -39.442 27.048 5.530 1.00 3.74 H new ATOM 1229 N MET A 81 -41.737 26.463 2.509 1.00 3.02 N ATOM 1230 CA MET A 81 -41.927 27.789 1.832 1.00 3.16 C ATOM 1231 C MET A 81 -41.645 27.677 0.317 1.00 2.89 C ATOM 1232 O MET A 81 -40.708 28.269 -0.199 1.00 2.90 O ATOM 1233 CB MET A 81 -40.917 28.716 2.513 1.00 3.41 C ATOM 1234 CG MET A 81 -41.663 29.837 3.238 1.00 3.80 C ATOM 1235 SD MET A 81 -40.487 31.129 3.706 1.00 4.22 S ATOM 1236 CE MET A 81 -41.674 32.481 3.882 1.00 4.94 C ATOM 0 H MET A 81 -41.073 25.839 2.051 1.00 3.02 H new ATOM 0 HA MET A 81 -42.949 28.158 1.921 1.00 3.16 H new ATOM 0 HB2 MET A 81 -40.309 28.152 3.221 1.00 3.41 H new ATOM 0 HB3 MET A 81 -40.237 29.137 1.773 1.00 3.41 H new ATOM 0 HG2 MET A 81 -42.438 30.251 2.593 1.00 3.80 H new ATOM 0 HG3 MET A 81 -42.162 29.444 4.124 1.00 3.80 H new ATOM 0 HE1 MET A 81 -41.149 33.391 4.172 1.00 4.94 H new ATOM 0 HE2 MET A 81 -42.184 32.644 2.932 1.00 4.94 H new ATOM 0 HE3 MET A 81 -42.406 32.225 4.648 1.00 4.94 H new ATOM 1246 N THR A 82 -42.441 26.898 -0.384 1.00 2.70 N ATOM 1247 CA THR A 82 -42.251 26.693 -1.871 1.00 2.49 C ATOM 1248 C THR A 82 -41.796 27.981 -2.572 1.00 2.68 C ATOM 1249 O THR A 82 -42.474 28.989 -2.515 1.00 2.97 O ATOM 1250 CB THR A 82 -43.625 26.264 -2.418 1.00 2.47 C ATOM 1251 OG1 THR A 82 -44.301 25.441 -1.474 1.00 2.49 O ATOM 1252 CG2 THR A 82 -43.433 25.481 -3.719 1.00 2.31 C ATOM 0 H THR A 82 -43.228 26.385 0.013 1.00 2.70 H new ATOM 0 HA THR A 82 -41.478 25.947 -2.054 1.00 2.49 H new ATOM 0 HB THR A 82 -44.222 27.157 -2.603 1.00 2.47 H new ATOM 0 HG1 THR A 82 -43.698 24.732 -1.167 1.00 2.49 H new ATOM 0 HG21 THR A 82 -44.405 25.177 -4.107 1.00 2.31 H new ATOM 0 HG22 THR A 82 -42.930 26.112 -4.452 1.00 2.31 H new ATOM 0 HG23 THR A 82 -42.827 24.596 -3.525 1.00 2.31 H new ATOM 1260 N PRO A 83 -40.654 27.901 -3.219 1.00 2.58 N ATOM 1261 CA PRO A 83 -40.103 29.083 -3.940 1.00 2.83 C ATOM 1262 C PRO A 83 -40.857 29.361 -5.255 1.00 2.93 C ATOM 1263 O PRO A 83 -40.557 30.316 -5.945 1.00 3.16 O ATOM 1264 CB PRO A 83 -38.662 28.675 -4.235 1.00 2.72 C ATOM 1265 CG PRO A 83 -38.673 27.179 -4.257 1.00 2.37 C ATOM 1266 CD PRO A 83 -39.779 26.725 -3.339 1.00 2.28 C ATOM 0 HA PRO A 83 -40.191 29.998 -3.355 1.00 2.83 H new ATOM 0 HB2 PRO A 83 -38.326 29.080 -5.189 1.00 2.72 H new ATOM 0 HB3 PRO A 83 -37.982 29.052 -3.471 1.00 2.72 H new ATOM 0 HG2 PRO A 83 -38.839 26.811 -5.269 1.00 2.37 H new ATOM 0 HG3 PRO A 83 -37.713 26.783 -3.927 1.00 2.37 H new ATOM 0 HD2 PRO A 83 -40.315 25.871 -3.753 1.00 2.28 H new ATOM 0 HD3 PRO A 83 -39.390 26.417 -2.368 1.00 2.28 H new ATOM 1274 N ASN A 84 -41.815 28.527 -5.618 1.00 2.80 N ATOM 1275 CA ASN A 84 -42.583 28.726 -6.899 1.00 2.92 C ATOM 1276 C ASN A 84 -41.712 28.421 -8.137 1.00 2.92 C ATOM 1277 O ASN A 84 -42.200 28.418 -9.251 1.00 3.15 O ATOM 1278 CB ASN A 84 -43.027 30.194 -6.895 1.00 3.35 C ATOM 1279 CG ASN A 84 -44.462 30.295 -7.406 1.00 3.48 C ATOM 1280 OD1 ASN A 84 -45.383 30.445 -6.635 1.00 3.67 O ATOM 1281 ND2 ASN A 84 -44.695 30.210 -8.682 1.00 3.54 N ATOM 0 H ASN A 84 -42.099 27.711 -5.076 1.00 2.80 H new ATOM 0 HA ASN A 84 -43.433 28.046 -6.954 1.00 2.92 H new ATOM 0 HB2 ASN A 84 -42.960 30.602 -5.887 1.00 3.35 H new ATOM 0 HB3 ASN A 84 -42.363 30.787 -7.524 1.00 3.35 H new ATOM 0 HD21 ASN A 84 -45.652 30.270 -9.031 1.00 3.54 H new ATOM 0 HD22 ASN A 84 -43.921 30.084 -9.334 1.00 3.54 H new ATOM 1288 N GLY A 85 -40.440 28.159 -7.950 1.00 2.85 N ATOM 1289 CA GLY A 85 -39.542 27.849 -9.103 1.00 2.90 C ATOM 1290 C GLY A 85 -38.177 27.423 -8.561 1.00 2.75 C ATOM 1291 O GLY A 85 -37.211 28.153 -8.674 1.00 2.95 O ATOM 0 H GLY A 85 -39.983 28.147 -7.038 1.00 2.85 H new ATOM 0 HA2 GLY A 85 -39.971 27.054 -9.713 1.00 2.90 H new ATOM 0 HA3 GLY A 85 -39.437 28.723 -9.746 1.00 2.90 H new ATOM 1295 N PRO A 86 -38.142 26.247 -7.979 1.00 2.44 N ATOM 1296 CA PRO A 86 -36.877 25.713 -7.400 1.00 2.30 C ATOM 1297 C PRO A 86 -35.802 25.535 -8.480 1.00 2.50 C ATOM 1298 O PRO A 86 -34.625 25.480 -8.180 1.00 2.53 O ATOM 1299 CB PRO A 86 -37.303 24.379 -6.786 1.00 2.02 C ATOM 1300 CG PRO A 86 -38.540 24.004 -7.533 1.00 2.05 C ATOM 1301 CD PRO A 86 -39.252 25.298 -7.814 1.00 2.26 C ATOM 0 HA PRO A 86 -36.424 26.381 -6.667 1.00 2.30 H new ATOM 0 HB2 PRO A 86 -36.526 23.623 -6.900 1.00 2.02 H new ATOM 0 HB3 PRO A 86 -37.498 24.477 -5.718 1.00 2.02 H new ATOM 0 HG2 PRO A 86 -38.296 23.482 -8.458 1.00 2.05 H new ATOM 0 HG3 PRO A 86 -39.165 23.333 -6.944 1.00 2.05 H new ATOM 0 HD2 PRO A 86 -39.868 25.235 -8.711 1.00 2.26 H new ATOM 0 HD3 PRO A 86 -39.911 25.584 -6.994 1.00 2.26 H new ATOM 1309 N GLU A 87 -36.191 25.474 -9.728 1.00 2.68 N ATOM 1310 CA GLU A 87 -35.186 25.329 -10.830 1.00 2.96 C ATOM 1311 C GLU A 87 -34.178 26.491 -10.783 1.00 3.18 C ATOM 1312 O GLU A 87 -33.027 26.337 -11.140 1.00 3.34 O ATOM 1313 CB GLU A 87 -35.998 25.362 -12.134 1.00 3.17 C ATOM 1314 CG GLU A 87 -36.974 24.175 -12.175 1.00 2.99 C ATOM 1315 CD GLU A 87 -38.398 24.662 -11.903 1.00 2.87 C ATOM 1316 OE1 GLU A 87 -38.653 25.092 -10.789 1.00 2.84 O ATOM 1317 OE2 GLU A 87 -39.208 24.597 -12.811 1.00 2.97 O ATOM 0 H GLU A 87 -37.163 25.518 -10.034 1.00 2.68 H new ATOM 0 HA GLU A 87 -34.611 24.407 -10.743 1.00 2.96 H new ATOM 0 HB2 GLU A 87 -36.549 26.300 -12.205 1.00 3.17 H new ATOM 0 HB3 GLU A 87 -35.326 25.321 -12.992 1.00 3.17 H new ATOM 0 HG2 GLU A 87 -36.927 23.688 -13.149 1.00 2.99 H new ATOM 0 HG3 GLU A 87 -36.687 23.431 -11.432 1.00 2.99 H new ATOM 1324 N VAL A 88 -34.603 27.644 -10.329 1.00 3.24 N ATOM 1325 CA VAL A 88 -33.674 28.819 -10.237 1.00 3.51 C ATOM 1326 C VAL A 88 -33.328 29.140 -8.764 1.00 3.33 C ATOM 1327 O VAL A 88 -32.508 30.000 -8.481 1.00 3.49 O ATOM 1328 CB VAL A 88 -34.435 29.978 -10.899 1.00 3.79 C ATOM 1329 CG1 VAL A 88 -35.597 30.434 -10.010 1.00 3.67 C ATOM 1330 CG2 VAL A 88 -33.483 31.153 -11.121 1.00 4.17 C ATOM 0 H VAL A 88 -35.557 27.825 -10.016 1.00 3.24 H new ATOM 0 HA VAL A 88 -32.721 28.627 -10.730 1.00 3.51 H new ATOM 0 HB VAL A 88 -34.832 29.634 -11.854 1.00 3.79 H new ATOM 0 HG11 VAL A 88 -36.125 31.255 -10.494 1.00 3.67 H new ATOM 0 HG12 VAL A 88 -36.284 29.602 -9.855 1.00 3.67 H new ATOM 0 HG13 VAL A 88 -35.209 30.769 -9.048 1.00 3.67 H new ATOM 0 HG21 VAL A 88 -34.023 31.975 -11.591 1.00 4.17 H new ATOM 0 HG22 VAL A 88 -33.082 31.483 -10.162 1.00 4.17 H new ATOM 0 HG23 VAL A 88 -32.664 30.840 -11.768 1.00 4.17 H new ATOM 1340 N HIS A 89 -33.939 28.457 -7.824 1.00 3.04 N ATOM 1341 CA HIS A 89 -33.641 28.717 -6.382 1.00 2.91 C ATOM 1342 C HIS A 89 -33.638 27.400 -5.594 1.00 2.55 C ATOM 1343 O HIS A 89 -34.562 27.097 -4.858 1.00 2.42 O ATOM 1344 CB HIS A 89 -34.763 29.645 -5.908 1.00 3.04 C ATOM 1345 CG HIS A 89 -34.210 31.025 -5.693 1.00 3.37 C ATOM 1346 ND1 HIS A 89 -33.270 31.587 -6.544 1.00 3.61 N ATOM 1347 CD2 HIS A 89 -34.458 31.970 -4.731 1.00 3.58 C ATOM 1348 CE1 HIS A 89 -32.991 32.819 -6.080 1.00 3.92 C ATOM 1349 NE2 HIS A 89 -33.688 33.102 -4.977 1.00 3.93 N ATOM 0 H HIS A 89 -34.633 27.729 -7.996 1.00 3.04 H new ATOM 0 HA HIS A 89 -32.659 29.167 -6.233 1.00 2.91 H new ATOM 0 HB2 HIS A 89 -35.564 29.673 -6.647 1.00 3.04 H new ATOM 0 HB3 HIS A 89 -35.197 29.266 -4.982 1.00 3.04 H new ATOM 0 HD1 HIS A 89 -32.864 31.147 -7.370 1.00 3.61 H new ATOM 0 HD2 HIS A 89 -35.147 31.853 -3.907 1.00 3.58 H new ATOM 0 HE1 HIS A 89 -32.289 33.496 -6.543 1.00 3.92 H new ATOM 1357 N GLY A 90 -32.603 26.616 -5.748 1.00 2.49 N ATOM 1358 CA GLY A 90 -32.521 25.315 -5.020 1.00 2.21 C ATOM 1359 C GLY A 90 -31.060 24.888 -4.887 1.00 2.21 C ATOM 1360 O GLY A 90 -30.394 24.789 -5.907 1.00 2.48 O ATOM 1361 OXT GLY A 90 -30.631 24.663 -3.770 1.00 2.08 O ATOM 0 H GLY A 90 -31.806 26.822 -6.350 1.00 2.49 H new ATOM 0 HA2 GLY A 90 -32.973 25.411 -4.033 1.00 2.21 H new ATOM 0 HA3 GLY A 90 -33.085 24.552 -5.556 1.00 2.21 H new TER 1365 GLY A 90