USER MOD reduce.3.24.130724 H: found=0, std=0, add=1141, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1137 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 53 ASN : amide:sc= 0.683 K(o=1.5,f=-2.3!) USER MOD Set 1.2: A 57 GLN : amide:sc= 0.777 K(o=1.5,f=-0.43) USER MOD Set 2.1: A 52 THR OG1 : rot 150:sc= 0 USER MOD Set 2.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 31 GLN : amide:sc= -0.498 K(o=-0.68,f=0.54) USER MOD Set 3.2: A 49 MET CE :methyl -160:sc= -0.179 (180deg=-0.474) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -103:sc= 0.0805 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 170:sc= -0.017 (180deg=-0.185) USER MOD Single : A 8 HIS : no HD1:sc= -0.406 X(o=-0.41,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.233 X(o=0.23,f=-0.021) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc=-0.00101 X(o=-0.001,f=-0.11) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -37:sc= 0.537 USER MOD Single : A 45 THR OG1 : rot -178:sc= 1.36 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0312 USER MOD Single : A 55 SER OG : rot 45:sc= 1.29 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 91:sc= 0.805 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -176:sc= 0 (180deg=-0.0176) USER MOD Single : A 75 MET CE :methyl -171:sc= -0.0832 (180deg=-0.0971) USER MOD Single : A 76 THR OG1 : rot 112:sc= 1.2 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0226 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 99:sc= 1.03 USER MOD Single : A 83 MET CE :methyl -150:sc= -0.408 (180deg=-0.98) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 54:sc= 1.45 USER MOD Single : A 99 THR OG1 : rot 80:sc= 1.03 USER MOD Single : A 101 THR OG1 : rot 85:sc= 1.26 USER MOD Single : A 103 GLN : amide:sc= 0.438 X(o=0.44,f=-0.014) USER MOD Single : A 108 HIS : no HE2:sc= -1.41 K(o=-1.4,f=-3.2!) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl -169:sc= -0.0446 (180deg=-0.197) USER MOD Single : A 115 LYS NZ :NH3+ -179:sc= 1.06 (180deg=1.06) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.00392 USER MOD Single : A 135 THR OG1 : rot 180:sc=-0.000513 USER MOD Single : A 137 ASN : amide:sc= 0.635 K(o=0.63,f=-3.2!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 ASN : amide:sc= 0.275 K(o=0.27,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.803 75.840 -61.049 1.00 88.89 N ATOM 2 CA MET A 1 -10.124 75.451 -60.497 1.00 88.38 C ATOM 3 C MET A 1 -10.080 74.020 -59.995 1.00 87.14 C ATOM 4 O MET A 1 -9.327 73.221 -60.549 1.00 87.06 O ATOM 5 CB MET A 1 -11.267 75.582 -61.517 1.00 89.63 C ATOM 6 CG MET A 1 -11.546 77.031 -61.926 1.00 90.69 C ATOM 7 SD MET A 1 -13.134 77.299 -62.772 1.00 92.15 S ATOM 8 CE MET A 1 -12.892 76.363 -64.307 1.00 93.27 C ATOM 0 H1 MET A 1 -8.304 76.442 -60.363 1.00 88.89 H new ATOM 0 H2 MET A 1 -8.239 74.986 -61.235 1.00 88.89 H new ATOM 0 H3 MET A 1 -8.939 76.365 -61.936 1.00 88.89 H new ATOM 0 HA MET A 1 -10.328 76.142 -59.679 1.00 88.38 H new ATOM 0 HB2 MET A 1 -11.021 75.001 -62.406 1.00 89.63 H new ATOM 0 HB3 MET A 1 -12.174 75.149 -61.095 1.00 89.63 H new ATOM 0 HG2 MET A 1 -11.517 77.657 -61.034 1.00 90.69 H new ATOM 0 HG3 MET A 1 -10.742 77.370 -62.579 1.00 90.69 H new ATOM 0 HE1 MET A 1 -13.787 76.439 -64.924 1.00 93.27 H new ATOM 0 HE2 MET A 1 -12.040 76.771 -64.851 1.00 93.27 H new ATOM 0 HE3 MET A 1 -12.703 75.316 -64.069 1.00 93.27 H new ATOM 20 N GLY A 2 -10.885 73.717 -58.974 1.00 86.25 N ATOM 21 CA GLY A 2 -11.035 72.387 -58.392 1.00 85.05 C ATOM 22 C GLY A 2 -10.640 72.327 -56.919 1.00 83.73 C ATOM 23 O GLY A 2 -9.917 73.176 -56.397 1.00 83.72 O ATOM 0 H GLY A 2 -11.469 74.417 -58.516 1.00 86.25 H new ATOM 0 HA2 GLY A 2 -12.072 72.066 -58.497 1.00 85.05 H new ATOM 0 HA3 GLY A 2 -10.424 71.680 -58.954 1.00 85.05 H new ATOM 27 N HIS A 3 -11.118 71.274 -56.261 1.00 82.64 N ATOM 28 CA HIS A 3 -10.751 70.831 -54.910 1.00 81.25 C ATOM 29 C HIS A 3 -10.754 69.283 -54.856 1.00 80.14 C ATOM 30 O HIS A 3 -11.351 68.644 -55.724 1.00 80.48 O ATOM 31 CB HIS A 3 -11.787 71.338 -53.885 1.00 81.14 C ATOM 32 CG HIS A 3 -12.027 72.831 -53.821 1.00 81.60 C ATOM 33 ND1 HIS A 3 -11.354 73.738 -53.034 1.00 81.34 N ATOM 34 CD2 HIS A 3 -13.056 73.509 -54.420 1.00 82.33 C ATOM 35 CE1 HIS A 3 -11.959 74.933 -53.170 1.00 81.94 C ATOM 36 NE2 HIS A 3 -13.008 74.851 -54.016 1.00 82.56 N ATOM 0 H HIS A 3 -11.819 70.664 -56.682 1.00 82.64 H new ATOM 0 HA HIS A 3 -9.763 71.226 -54.674 1.00 81.25 H new ATOM 0 HB2 HIS A 3 -12.739 70.852 -54.099 1.00 81.14 H new ATOM 0 HB3 HIS A 3 -11.474 71.004 -52.896 1.00 81.14 H new ATOM 0 HD2 HIS A 3 -13.784 73.080 -55.093 1.00 82.33 H new ATOM 0 HE1 HIS A 3 -11.647 75.837 -52.669 1.00 81.94 H new ATOM 0 HE2 HIS A 3 -13.633 75.605 -54.301 1.00 82.56 H new ATOM 44 N THR A 4 -10.146 68.693 -53.818 1.00 78.85 N ATOM 45 CA THR A 4 -10.324 67.287 -53.423 1.00 77.62 C ATOM 46 C THR A 4 -10.829 67.251 -51.984 1.00 76.33 C ATOM 47 O THR A 4 -10.608 68.192 -51.222 1.00 76.25 O ATOM 48 CB THR A 4 -9.030 66.479 -53.637 1.00 77.23 C ATOM 49 OG1 THR A 4 -9.215 65.147 -53.212 1.00 76.51 O ATOM 50 CG2 THR A 4 -7.818 67.036 -52.897 1.00 76.75 C ATOM 0 H THR A 4 -9.497 69.195 -53.211 1.00 78.85 H new ATOM 0 HA THR A 4 -11.069 66.805 -54.057 1.00 77.62 H new ATOM 0 HB THR A 4 -8.826 66.542 -54.706 1.00 77.23 H new ATOM 0 HG1 THR A 4 -8.388 64.641 -53.353 1.00 76.51 H new ATOM 0 HG21 THR A 4 -6.949 66.410 -53.100 1.00 76.75 H new ATOM 0 HG22 THR A 4 -7.620 68.053 -53.236 1.00 76.75 H new ATOM 0 HG23 THR A 4 -8.018 67.043 -51.825 1.00 76.75 H new ATOM 58 N MET A 5 -11.505 66.163 -51.625 1.00 75.37 N ATOM 59 CA MET A 5 -11.939 65.847 -50.264 1.00 74.04 C ATOM 60 C MET A 5 -11.477 64.421 -49.937 1.00 72.77 C ATOM 61 O MET A 5 -11.978 63.487 -50.562 1.00 72.84 O ATOM 62 CB MET A 5 -13.468 65.986 -50.167 1.00 74.22 C ATOM 63 CG MET A 5 -14.004 65.617 -48.774 1.00 73.27 C ATOM 64 SD MET A 5 -15.780 65.893 -48.505 1.00 73.61 S ATOM 65 CE MET A 5 -16.485 64.892 -49.840 1.00 74.13 C ATOM 0 H MET A 5 -11.777 65.448 -52.300 1.00 75.37 H new ATOM 0 HA MET A 5 -11.501 66.536 -49.541 1.00 74.04 H new ATOM 0 HB2 MET A 5 -13.752 67.012 -50.403 1.00 74.22 H new ATOM 0 HB3 MET A 5 -13.936 65.346 -50.915 1.00 74.22 H new ATOM 0 HG2 MET A 5 -13.788 64.564 -48.591 1.00 73.27 H new ATOM 0 HG3 MET A 5 -13.451 66.190 -48.030 1.00 73.27 H new ATOM 0 HE1 MET A 5 -17.564 64.813 -49.705 1.00 74.13 H new ATOM 0 HE2 MET A 5 -16.273 65.364 -50.799 1.00 74.13 H new ATOM 0 HE3 MET A 5 -16.043 63.896 -49.820 1.00 74.13 H new ATOM 75 N PRO A 6 -10.553 64.218 -48.979 1.00 71.66 N ATOM 76 CA PRO A 6 -10.149 62.893 -48.515 1.00 70.37 C ATOM 77 C PRO A 6 -11.142 62.342 -47.472 1.00 69.19 C ATOM 78 O PRO A 6 -12.100 63.010 -47.084 1.00 69.32 O ATOM 79 CB PRO A 6 -8.744 63.104 -47.932 1.00 69.87 C ATOM 80 CG PRO A 6 -8.842 64.506 -47.330 1.00 70.26 C ATOM 81 CD PRO A 6 -9.765 65.244 -48.302 1.00 71.66 C ATOM 0 HA PRO A 6 -10.143 62.151 -49.313 1.00 70.37 H new ATOM 0 HB2 PRO A 6 -8.501 62.355 -47.178 1.00 69.87 H new ATOM 0 HB3 PRO A 6 -7.973 63.045 -48.700 1.00 69.87 H new ATOM 0 HG2 PRO A 6 -9.256 64.483 -46.322 1.00 70.26 H new ATOM 0 HG3 PRO A 6 -7.865 64.984 -47.262 1.00 70.26 H new ATOM 0 HD2 PRO A 6 -10.411 65.942 -47.770 1.00 71.66 H new ATOM 0 HD3 PRO A 6 -9.188 65.827 -49.019 1.00 71.66 H new ATOM 89 N ALA A 7 -10.872 61.125 -46.992 1.00 68.08 N ATOM 90 CA ALA A 7 -11.547 60.460 -45.871 1.00 66.75 C ATOM 91 C ALA A 7 -10.541 59.624 -45.044 1.00 65.31 C ATOM 92 O ALA A 7 -9.365 59.533 -45.396 1.00 65.36 O ATOM 93 CB ALA A 7 -12.688 59.604 -46.446 1.00 66.97 C ATOM 0 H ALA A 7 -10.137 60.545 -47.396 1.00 68.08 H new ATOM 0 HA ALA A 7 -11.967 61.194 -45.183 1.00 66.75 H new ATOM 0 HB1 ALA A 7 -13.208 59.097 -45.633 1.00 66.97 H new ATOM 0 HB2 ALA A 7 -13.389 60.244 -46.982 1.00 66.97 H new ATOM 0 HB3 ALA A 7 -12.277 58.863 -47.132 1.00 66.97 H new ATOM 99 N HIS A 8 -10.974 58.989 -43.957 1.00 64.06 N ATOM 100 CA HIS A 8 -10.125 58.213 -43.049 1.00 62.61 C ATOM 101 C HIS A 8 -11.055 57.241 -42.288 1.00 61.54 C ATOM 102 O HIS A 8 -12.232 57.561 -42.103 1.00 61.81 O ATOM 103 CB HIS A 8 -9.372 59.196 -42.117 1.00 62.34 C ATOM 104 CG HIS A 8 -8.034 58.749 -41.554 1.00 61.69 C ATOM 105 ND1 HIS A 8 -7.037 59.594 -41.108 1.00 61.50 N ATOM 106 CD2 HIS A 8 -7.554 57.473 -41.395 1.00 61.30 C ATOM 107 CE1 HIS A 8 -6.001 58.851 -40.698 1.00 61.01 C ATOM 108 NE2 HIS A 8 -6.273 57.548 -40.848 1.00 60.87 N ATOM 0 H HIS A 8 -11.954 58.999 -43.673 1.00 64.06 H new ATOM 0 HA HIS A 8 -9.365 57.628 -43.567 1.00 62.61 H new ATOM 0 HB2 HIS A 8 -9.212 60.123 -42.667 1.00 62.34 H new ATOM 0 HB3 HIS A 8 -10.027 59.432 -41.278 1.00 62.34 H new ATOM 0 HD2 HIS A 8 -8.079 56.565 -41.650 1.00 61.30 H new ATOM 0 HE1 HIS A 8 -5.077 59.246 -40.302 1.00 61.01 H new ATOM 0 HE2 HIS A 8 -5.664 56.765 -40.609 1.00 60.87 H new ATOM 116 N THR A 9 -10.573 56.068 -41.852 1.00 60.40 N ATOM 117 CA THR A 9 -11.385 55.092 -41.108 1.00 59.33 C ATOM 118 C THR A 9 -10.511 54.195 -40.211 1.00 57.95 C ATOM 119 O THR A 9 -9.485 53.710 -40.700 1.00 57.99 O ATOM 120 CB THR A 9 -12.296 54.302 -42.057 1.00 59.66 C ATOM 121 OG1 THR A 9 -13.202 53.581 -41.265 1.00 58.87 O ATOM 122 CG2 THR A 9 -11.578 53.331 -42.999 1.00 59.60 C ATOM 0 H THR A 9 -9.610 55.769 -42.005 1.00 60.40 H new ATOM 0 HA THR A 9 -12.043 55.635 -40.430 1.00 59.33 H new ATOM 0 HB THR A 9 -12.776 55.031 -42.711 1.00 59.66 H new ATOM 0 HG1 THR A 9 -13.802 53.065 -41.842 1.00 58.87 H new ATOM 0 HG21 THR A 9 -12.311 52.824 -43.626 1.00 59.60 H new ATOM 0 HG22 THR A 9 -10.881 53.884 -43.629 1.00 59.60 H new ATOM 0 HG23 THR A 9 -11.030 52.593 -42.413 1.00 59.60 H new ATOM 130 N PRO A 10 -10.839 54.025 -38.911 1.00 56.81 N ATOM 131 CA PRO A 10 -10.038 53.252 -37.962 1.00 55.46 C ATOM 132 C PRO A 10 -10.467 51.772 -37.916 1.00 54.53 C ATOM 133 O PRO A 10 -11.624 51.464 -38.211 1.00 54.67 O ATOM 134 CB PRO A 10 -10.291 53.927 -36.610 1.00 54.78 C ATOM 135 CG PRO A 10 -11.753 54.357 -36.719 1.00 55.34 C ATOM 136 CD PRO A 10 -11.896 54.733 -38.195 1.00 56.84 C ATOM 0 HA PRO A 10 -8.985 53.242 -38.242 1.00 55.46 H new ATOM 0 HB2 PRO A 10 -10.132 53.241 -35.778 1.00 54.78 H new ATOM 0 HB3 PRO A 10 -9.629 54.778 -36.452 1.00 54.78 H new ATOM 0 HG2 PRO A 10 -12.432 53.551 -36.441 1.00 55.34 H new ATOM 0 HG3 PRO A 10 -11.975 55.200 -36.065 1.00 55.34 H new ATOM 0 HD2 PRO A 10 -12.878 54.449 -38.574 1.00 56.84 H new ATOM 0 HD3 PRO A 10 -11.802 55.810 -38.331 1.00 56.84 H new ATOM 144 N PRO A 11 -9.577 50.853 -37.486 1.00 53.63 N ATOM 145 CA PRO A 11 -9.930 49.461 -37.235 1.00 52.64 C ATOM 146 C PRO A 11 -10.726 49.326 -35.927 1.00 51.39 C ATOM 147 O PRO A 11 -10.410 49.977 -34.931 1.00 51.00 O ATOM 148 CB PRO A 11 -8.592 48.718 -37.162 1.00 52.26 C ATOM 149 CG PRO A 11 -7.634 49.771 -36.605 1.00 52.37 C ATOM 150 CD PRO A 11 -8.166 51.081 -37.191 1.00 53.57 C ATOM 0 HA PRO A 11 -10.572 49.051 -38.015 1.00 52.64 H new ATOM 0 HB2 PRO A 11 -8.652 47.845 -36.512 1.00 52.26 H new ATOM 0 HB3 PRO A 11 -8.274 48.364 -38.143 1.00 52.26 H new ATOM 0 HG2 PRO A 11 -7.643 49.786 -35.515 1.00 52.37 H new ATOM 0 HG3 PRO A 11 -6.606 49.582 -36.913 1.00 52.37 H new ATOM 0 HD2 PRO A 11 -8.044 51.901 -36.484 1.00 53.57 H new ATOM 0 HD3 PRO A 11 -7.619 51.354 -38.093 1.00 53.57 H new ATOM 158 N ALA A 12 -11.736 48.449 -35.918 1.00 50.80 N ATOM 159 CA ALA A 12 -12.577 48.170 -34.753 1.00 49.66 C ATOM 160 C ALA A 12 -12.746 46.655 -34.539 1.00 48.54 C ATOM 161 O ALA A 12 -13.337 45.956 -35.365 1.00 48.95 O ATOM 162 CB ALA A 12 -13.925 48.882 -34.946 1.00 50.30 C ATOM 0 H ALA A 12 -11.996 47.903 -36.739 1.00 50.80 H new ATOM 0 HA ALA A 12 -12.101 48.551 -33.850 1.00 49.66 H new ATOM 0 HB1 ALA A 12 -14.566 48.686 -34.087 1.00 50.30 H new ATOM 0 HB2 ALA A 12 -13.760 49.955 -35.038 1.00 50.30 H new ATOM 0 HB3 ALA A 12 -14.406 48.511 -35.851 1.00 50.30 H new ATOM 168 N GLN A 13 -12.240 46.154 -33.407 1.00 47.17 N ATOM 169 CA GLN A 13 -12.227 44.738 -33.037 1.00 45.96 C ATOM 170 C GLN A 13 -12.436 44.565 -31.521 1.00 44.42 C ATOM 171 O GLN A 13 -11.929 45.378 -30.742 1.00 44.15 O ATOM 172 CB GLN A 13 -10.918 44.072 -33.529 1.00 45.96 C ATOM 173 CG GLN A 13 -9.604 44.361 -32.766 1.00 45.44 C ATOM 174 CD GLN A 13 -9.120 45.816 -32.803 1.00 46.19 C ATOM 175 OE1 GLN A 13 -8.301 46.217 -33.617 1.00 46.64 O ATOM 176 NE2 GLN A 13 -9.604 46.660 -31.919 1.00 46.43 N ATOM 0 H GLN A 13 -11.812 46.748 -32.697 1.00 47.17 H new ATOM 0 HA GLN A 13 -13.059 44.233 -33.528 1.00 45.96 H new ATOM 0 HB2 GLN A 13 -11.073 42.993 -33.522 1.00 45.96 H new ATOM 0 HB3 GLN A 13 -10.768 44.366 -34.568 1.00 45.96 H new ATOM 0 HG2 GLN A 13 -9.738 44.068 -31.725 1.00 45.44 H new ATOM 0 HG3 GLN A 13 -8.819 43.726 -33.177 1.00 45.44 H new ATOM 0 HE21 GLN A 13 -10.288 46.343 -31.232 1.00 46.43 H new ATOM 0 HE22 GLN A 13 -9.295 47.632 -31.920 1.00 46.43 H new ATOM 185 N THR A 14 -13.142 43.499 -31.116 1.00 43.47 N ATOM 186 CA THR A 14 -13.294 43.040 -29.720 1.00 41.89 C ATOM 187 C THR A 14 -13.279 41.512 -29.680 1.00 40.67 C ATOM 188 O THR A 14 -13.546 40.850 -30.681 1.00 41.17 O ATOM 189 CB THR A 14 -14.546 43.631 -29.036 1.00 42.10 C ATOM 190 OG1 THR A 14 -14.541 43.250 -27.674 1.00 41.18 O ATOM 191 CG2 THR A 14 -15.871 43.175 -29.654 1.00 42.41 C ATOM 0 H THR A 14 -13.645 42.906 -31.776 1.00 43.47 H new ATOM 0 HA THR A 14 -12.447 43.411 -29.143 1.00 41.89 H new ATOM 0 HB THR A 14 -14.488 44.711 -29.169 1.00 42.10 H new ATOM 0 HG1 THR A 14 -15.331 43.621 -27.228 1.00 41.18 H new ATOM 0 HG21 THR A 14 -16.700 43.635 -29.116 1.00 42.41 H new ATOM 0 HG22 THR A 14 -15.906 43.475 -30.701 1.00 42.41 H new ATOM 0 HG23 THR A 14 -15.950 42.090 -29.585 1.00 42.41 H new ATOM 199 N ALA A 15 -12.975 40.943 -28.518 1.00 39.15 N ATOM 200 CA ALA A 15 -12.885 39.500 -28.283 1.00 37.86 C ATOM 201 C ALA A 15 -12.842 39.225 -26.768 1.00 36.21 C ATOM 202 O ALA A 15 -11.812 39.532 -26.153 1.00 35.66 O ATOM 203 CB ALA A 15 -11.657 38.917 -29.006 1.00 37.86 C ATOM 0 H ALA A 15 -12.777 41.491 -27.681 1.00 39.15 H new ATOM 0 HA ALA A 15 -13.767 39.006 -28.691 1.00 37.86 H new ATOM 0 HB1 ALA A 15 -11.602 37.844 -28.823 1.00 37.86 H new ATOM 0 HB2 ALA A 15 -11.745 39.098 -30.077 1.00 37.86 H new ATOM 0 HB3 ALA A 15 -10.753 39.396 -28.631 1.00 37.86 H new ATOM 209 N PRO A 16 -13.935 38.703 -26.170 1.00 35.55 N ATOM 210 CA PRO A 16 -14.017 38.358 -24.757 1.00 34.03 C ATOM 211 C PRO A 16 -13.650 36.886 -24.506 1.00 32.69 C ATOM 212 O PRO A 16 -13.601 36.069 -25.428 1.00 33.05 O ATOM 213 CB PRO A 16 -15.474 38.639 -24.378 1.00 34.25 C ATOM 214 CG PRO A 16 -16.224 38.208 -25.638 1.00 35.32 C ATOM 215 CD PRO A 16 -15.265 38.591 -26.769 1.00 36.39 C ATOM 0 HA PRO A 16 -13.313 38.934 -24.157 1.00 34.03 H new ATOM 0 HB2 PRO A 16 -15.785 38.067 -23.504 1.00 34.25 H new ATOM 0 HB3 PRO A 16 -15.639 39.691 -24.146 1.00 34.25 H new ATOM 0 HG2 PRO A 16 -16.435 37.139 -25.634 1.00 35.32 H new ATOM 0 HG3 PRO A 16 -17.181 38.721 -25.731 1.00 35.32 H new ATOM 0 HD2 PRO A 16 -15.273 37.837 -27.556 1.00 36.39 H new ATOM 0 HD3 PRO A 16 -15.564 39.534 -27.228 1.00 36.39 H new ATOM 223 N ALA A 17 -13.439 36.541 -23.230 1.00 31.20 N ATOM 224 CA ALA A 17 -13.031 35.199 -22.797 1.00 29.79 C ATOM 225 C ALA A 17 -13.492 34.841 -21.371 1.00 28.23 C ATOM 226 O ALA A 17 -13.596 35.716 -20.505 1.00 28.05 O ATOM 227 CB ALA A 17 -11.502 35.106 -22.923 1.00 29.55 C ATOM 0 H ALA A 17 -13.549 37.197 -22.457 1.00 31.20 H new ATOM 0 HA ALA A 17 -13.522 34.469 -23.441 1.00 29.79 H new ATOM 0 HB1 ALA A 17 -11.170 34.117 -22.607 1.00 29.55 H new ATOM 0 HB2 ALA A 17 -11.212 35.272 -23.960 1.00 29.55 H new ATOM 0 HB3 ALA A 17 -11.038 35.863 -22.291 1.00 29.55 H new ATOM 233 N ALA A 18 -13.715 33.543 -21.138 1.00 27.22 N ATOM 234 CA ALA A 18 -14.046 32.886 -19.867 1.00 25.67 C ATOM 235 C ALA A 18 -14.168 31.364 -20.064 1.00 24.74 C ATOM 236 O ALA A 18 -14.507 30.891 -21.146 1.00 25.58 O ATOM 237 CB ALA A 18 -15.328 33.471 -19.248 1.00 26.15 C ATOM 0 H ALA A 18 -13.664 32.866 -21.899 1.00 27.22 H new ATOM 0 HA ALA A 18 -13.233 33.077 -19.167 1.00 25.67 H new ATOM 0 HB1 ALA A 18 -15.544 32.962 -18.309 1.00 26.15 H new ATOM 0 HB2 ALA A 18 -15.188 34.536 -19.060 1.00 26.15 H new ATOM 0 HB3 ALA A 18 -16.161 33.330 -19.936 1.00 26.15 H new ATOM 243 N GLN A 19 -13.921 30.592 -19.007 1.00 23.15 N ATOM 244 CA GLN A 19 -14.104 29.140 -18.949 1.00 22.24 C ATOM 245 C GLN A 19 -14.641 28.805 -17.560 1.00 20.73 C ATOM 246 O GLN A 19 -14.212 29.414 -16.584 1.00 20.03 O ATOM 247 CB GLN A 19 -12.749 28.432 -19.139 1.00 21.77 C ATOM 248 CG GLN A 19 -12.243 28.370 -20.592 1.00 22.78 C ATOM 249 CD GLN A 19 -10.739 28.065 -20.674 1.00 22.56 C ATOM 250 OE1 GLN A 19 -9.969 28.824 -21.254 1.00 22.87 O ATOM 251 NE2 GLN A 19 -10.245 27.015 -20.040 1.00 22.22 N ATOM 0 H GLN A 19 -13.573 30.977 -18.129 1.00 23.15 H new ATOM 0 HA GLN A 19 -14.788 28.813 -19.732 1.00 22.24 H new ATOM 0 HB2 GLN A 19 -12.002 28.942 -18.532 1.00 21.77 H new ATOM 0 HB3 GLN A 19 -12.831 27.415 -18.755 1.00 21.77 H new ATOM 0 HG2 GLN A 19 -12.797 27.604 -21.135 1.00 22.78 H new ATOM 0 HG3 GLN A 19 -12.446 29.320 -21.086 1.00 22.78 H new ATOM 0 HE21 GLN A 19 -10.870 26.373 -19.552 1.00 22.22 H new ATOM 0 HE22 GLN A 19 -9.239 26.847 -20.039 1.00 22.22 H new ATOM 260 N LYS A 20 -15.564 27.849 -17.457 1.00 20.39 N ATOM 261 CA LYS A 20 -16.123 27.375 -16.186 1.00 19.07 C ATOM 262 C LYS A 20 -16.289 25.841 -16.194 1.00 18.29 C ATOM 263 O LYS A 20 -16.121 25.197 -17.231 1.00 18.78 O ATOM 264 CB LYS A 20 -17.444 28.132 -15.925 1.00 19.72 C ATOM 265 CG LYS A 20 -17.558 28.651 -14.483 1.00 19.34 C ATOM 266 CD LYS A 20 -18.799 29.548 -14.339 1.00 20.66 C ATOM 267 CE LYS A 20 -18.999 30.061 -12.905 1.00 20.79 C ATOM 268 NZ LYS A 20 -18.014 31.101 -12.509 1.00 20.81 N ATOM 0 H LYS A 20 -15.953 27.371 -18.270 1.00 20.39 H new ATOM 0 HA LYS A 20 -15.441 27.587 -15.363 1.00 19.07 H new ATOM 0 HB2 LYS A 20 -17.519 28.972 -16.616 1.00 19.72 H new ATOM 0 HB3 LYS A 20 -18.284 27.470 -16.136 1.00 19.72 H new ATOM 0 HG2 LYS A 20 -17.624 27.812 -13.791 1.00 19.34 H new ATOM 0 HG3 LYS A 20 -16.662 29.212 -14.219 1.00 19.34 H new ATOM 0 HD2 LYS A 20 -18.708 30.398 -15.015 1.00 20.66 H new ATOM 0 HD3 LYS A 20 -19.683 28.990 -14.647 1.00 20.66 H new ATOM 0 HE2 LYS A 20 -20.005 30.469 -12.810 1.00 20.79 H new ATOM 0 HE3 LYS A 20 -18.928 29.222 -12.213 1.00 20.79 H new ATOM 0 HZ1 LYS A 20 -18.203 31.405 -11.532 1.00 20.81 H new ATOM 0 HZ2 LYS A 20 -17.052 30.709 -12.570 1.00 20.81 H new ATOM 0 HZ3 LYS A 20 -18.096 31.918 -13.147 1.00 20.81 H new ATOM 282 N ALA A 21 -16.613 25.222 -15.049 1.00 17.24 N ATOM 283 CA ALA A 21 -16.676 23.757 -14.872 1.00 16.44 C ATOM 284 C ALA A 21 -17.672 23.332 -13.769 1.00 15.52 C ATOM 285 O ALA A 21 -18.216 24.184 -13.073 1.00 15.38 O ATOM 286 CB ALA A 21 -15.259 23.240 -14.562 1.00 15.92 C ATOM 0 H ALA A 21 -16.845 25.735 -14.198 1.00 17.24 H new ATOM 0 HA ALA A 21 -17.046 23.314 -15.796 1.00 16.44 H new ATOM 0 HB1 ALA A 21 -15.287 22.159 -14.428 1.00 15.92 H new ATOM 0 HB2 ALA A 21 -14.593 23.486 -15.389 1.00 15.92 H new ATOM 0 HB3 ALA A 21 -14.892 23.709 -13.649 1.00 15.92 H new ATOM 292 N GLY A 22 -17.899 22.022 -13.607 1.00 15.05 N ATOM 293 CA GLY A 22 -18.716 21.444 -12.530 1.00 14.19 C ATOM 294 C GLY A 22 -17.976 20.367 -11.733 1.00 12.60 C ATOM 295 O GLY A 22 -16.800 20.107 -11.960 1.00 12.20 O ATOM 0 H GLY A 22 -17.511 21.318 -14.235 1.00 15.05 H new ATOM 0 HA2 GLY A 22 -19.030 22.238 -11.853 1.00 14.19 H new ATOM 0 HA3 GLY A 22 -19.621 21.014 -12.959 1.00 14.19 H new ATOM 299 N ALA A 23 -18.695 19.722 -10.815 1.00 11.98 N ATOM 300 CA ALA A 23 -18.253 18.599 -9.981 1.00 10.65 C ATOM 301 C ALA A 23 -19.471 17.785 -9.488 1.00 10.55 C ATOM 302 O ALA A 23 -20.609 18.113 -9.825 1.00 11.50 O ATOM 303 CB ALA A 23 -17.396 19.144 -8.824 1.00 9.88 C ATOM 0 H ALA A 23 -19.661 19.984 -10.620 1.00 11.98 H new ATOM 0 HA ALA A 23 -17.637 17.913 -10.562 1.00 10.65 H new ATOM 0 HB1 ALA A 23 -17.062 18.317 -8.198 1.00 9.88 H new ATOM 0 HB2 ALA A 23 -16.529 19.666 -9.228 1.00 9.88 H new ATOM 0 HB3 ALA A 23 -17.990 19.835 -8.226 1.00 9.88 H new ATOM 309 N GLN A 24 -19.246 16.740 -8.682 1.00 9.76 N ATOM 310 CA GLN A 24 -20.228 15.751 -8.199 1.00 9.90 C ATOM 311 C GLN A 24 -19.627 14.972 -7.004 1.00 8.61 C ATOM 312 O GLN A 24 -18.482 15.226 -6.618 1.00 8.16 O ATOM 313 CB GLN A 24 -20.628 14.799 -9.361 1.00 11.08 C ATOM 314 CG GLN A 24 -21.904 15.212 -10.134 1.00 12.50 C ATOM 315 CD GLN A 24 -21.758 15.061 -11.655 1.00 13.64 C ATOM 316 OE1 GLN A 24 -20.805 15.513 -12.264 1.00 13.44 O ATOM 317 NE2 GLN A 24 -22.670 14.395 -12.334 1.00 15.13 N ATOM 0 H GLN A 24 -18.311 16.547 -8.324 1.00 9.76 H new ATOM 0 HA GLN A 24 -21.131 16.256 -7.856 1.00 9.90 H new ATOM 0 HB2 GLN A 24 -19.798 14.740 -10.065 1.00 11.08 H new ATOM 0 HB3 GLN A 24 -20.774 13.798 -8.956 1.00 11.08 H new ATOM 0 HG2 GLN A 24 -22.742 14.604 -9.793 1.00 12.50 H new ATOM 0 HG3 GLN A 24 -22.145 16.249 -9.899 1.00 12.50 H new ATOM 0 HE21 GLN A 24 -23.480 14.004 -11.853 1.00 15.13 H new ATOM 0 HE22 GLN A 24 -22.566 14.270 -13.341 1.00 15.13 H new ATOM 326 N ALA A 25 -20.381 14.025 -6.430 1.00 8.39 N ATOM 327 CA ALA A 25 -19.915 13.081 -5.407 1.00 7.53 C ATOM 328 C ALA A 25 -20.180 11.635 -5.861 1.00 7.38 C ATOM 329 O ALA A 25 -21.241 11.335 -6.414 1.00 8.24 O ATOM 330 CB ALA A 25 -20.626 13.393 -4.084 1.00 8.41 C ATOM 0 H ALA A 25 -21.363 13.891 -6.673 1.00 8.39 H new ATOM 0 HA ALA A 25 -18.840 13.186 -5.261 1.00 7.53 H new ATOM 0 HB1 ALA A 25 -20.287 12.697 -3.316 1.00 8.41 H new ATOM 0 HB2 ALA A 25 -20.394 14.413 -3.778 1.00 8.41 H new ATOM 0 HB3 ALA A 25 -21.703 13.291 -4.217 1.00 8.41 H new ATOM 336 N LEU A 26 -19.230 10.720 -5.631 1.00 6.56 N ATOM 337 CA LEU A 26 -19.316 9.327 -6.099 1.00 6.46 C ATOM 338 C LEU A 26 -19.319 8.319 -4.936 1.00 6.15 C ATOM 339 O LEU A 26 -18.661 8.576 -3.919 1.00 5.69 O ATOM 340 CB LEU A 26 -18.133 9.021 -7.041 1.00 6.16 C ATOM 341 CG LEU A 26 -18.086 9.842 -8.347 1.00 6.85 C ATOM 342 CD1 LEU A 26 -16.847 9.420 -9.150 1.00 7.09 C ATOM 343 CD2 LEU A 26 -19.341 9.641 -9.210 1.00 8.22 C ATOM 0 H LEU A 26 -18.375 10.924 -5.113 1.00 6.56 H new ATOM 0 HA LEU A 26 -20.261 9.220 -6.631 1.00 6.46 H new ATOM 0 HB2 LEU A 26 -17.205 9.189 -6.495 1.00 6.16 H new ATOM 0 HB3 LEU A 26 -18.163 7.963 -7.300 1.00 6.16 H new ATOM 0 HG LEU A 26 -18.040 10.897 -8.079 1.00 6.85 H new ATOM 0 HD11 LEU A 26 -16.801 9.993 -10.076 1.00 7.09 H new ATOM 0 HD12 LEU A 26 -15.950 9.610 -8.561 1.00 7.09 H new ATOM 0 HD13 LEU A 26 -16.909 8.357 -9.383 1.00 7.09 H new ATOM 0 HD21 LEU A 26 -19.259 10.240 -10.117 1.00 8.22 H new ATOM 0 HD22 LEU A 26 -19.434 8.588 -9.477 1.00 8.22 H new ATOM 0 HD23 LEU A 26 -20.222 9.952 -8.649 1.00 8.22 H new ATOM 355 N PRO A 27 -19.944 7.135 -5.107 1.00 6.72 N ATOM 356 CA PRO A 27 -19.785 5.999 -4.206 1.00 6.72 C ATOM 357 C PRO A 27 -18.395 5.369 -4.411 1.00 5.55 C ATOM 358 O PRO A 27 -18.258 4.263 -4.928 1.00 5.67 O ATOM 359 CB PRO A 27 -20.964 5.072 -4.523 1.00 8.07 C ATOM 360 CG PRO A 27 -21.195 5.301 -6.015 1.00 8.38 C ATOM 361 CD PRO A 27 -20.835 6.775 -6.207 1.00 7.78 C ATOM 0 HA PRO A 27 -19.812 6.259 -3.148 1.00 6.72 H new ATOM 0 HB2 PRO A 27 -20.727 4.030 -4.307 1.00 8.07 H new ATOM 0 HB3 PRO A 27 -21.846 5.326 -3.935 1.00 8.07 H new ATOM 0 HG2 PRO A 27 -20.566 4.651 -6.623 1.00 8.38 H new ATOM 0 HG3 PRO A 27 -22.228 5.100 -6.297 1.00 8.38 H new ATOM 0 HD2 PRO A 27 -20.346 6.932 -7.169 1.00 7.78 H new ATOM 0 HD3 PRO A 27 -21.730 7.396 -6.199 1.00 7.78 H new ATOM 369 N VAL A 28 -17.354 6.112 -4.018 1.00 4.66 N ATOM 370 CA VAL A 28 -15.969 5.651 -3.878 1.00 3.77 C ATOM 371 C VAL A 28 -15.670 5.670 -2.381 1.00 3.98 C ATOM 372 O VAL A 28 -15.610 6.734 -1.765 1.00 4.44 O ATOM 373 CB VAL A 28 -14.971 6.527 -4.674 1.00 3.48 C ATOM 374 CG1 VAL A 28 -13.520 6.079 -4.418 1.00 3.98 C ATOM 375 CG2 VAL A 28 -15.265 6.444 -6.182 1.00 3.24 C ATOM 0 H VAL A 28 -17.460 7.098 -3.778 1.00 4.66 H new ATOM 0 HA VAL A 28 -15.852 4.650 -4.294 1.00 3.77 H new ATOM 0 HB VAL A 28 -15.091 7.556 -4.335 1.00 3.48 H new ATOM 0 HG11 VAL A 28 -12.838 6.710 -4.988 1.00 3.98 H new ATOM 0 HG12 VAL A 28 -13.294 6.168 -3.355 1.00 3.98 H new ATOM 0 HG13 VAL A 28 -13.399 5.041 -4.729 1.00 3.98 H new ATOM 0 HG21 VAL A 28 -14.554 7.066 -6.726 1.00 3.24 H new ATOM 0 HG22 VAL A 28 -15.172 5.410 -6.515 1.00 3.24 H new ATOM 0 HG23 VAL A 28 -16.278 6.797 -6.375 1.00 3.24 H new ATOM 385 N THR A 29 -15.559 4.478 -1.791 1.00 3.93 N ATOM 386 CA THR A 29 -15.722 4.285 -0.324 1.00 4.48 C ATOM 387 C THR A 29 -14.644 3.357 0.251 1.00 4.66 C ATOM 388 O THR A 29 -14.819 2.691 1.263 1.00 6.09 O ATOM 389 CB THR A 29 -17.132 3.736 -0.052 1.00 5.12 C ATOM 390 OG1 THR A 29 -18.075 4.400 -0.864 1.00 5.09 O ATOM 391 CG2 THR A 29 -17.638 3.924 1.382 1.00 6.14 C ATOM 0 H THR A 29 -15.356 3.618 -2.300 1.00 3.93 H new ATOM 0 HA THR A 29 -15.601 5.246 0.177 1.00 4.48 H new ATOM 0 HB THR A 29 -17.040 2.669 -0.258 1.00 5.12 H new ATOM 0 HG1 THR A 29 -18.970 4.043 -0.685 1.00 5.09 H new ATOM 0 HG21 THR A 29 -18.640 3.504 1.472 1.00 6.14 H new ATOM 0 HG22 THR A 29 -16.967 3.415 2.074 1.00 6.14 H new ATOM 0 HG23 THR A 29 -17.667 4.987 1.621 1.00 6.14 H new ATOM 399 N VAL A 30 -13.552 3.260 -0.494 1.00 3.75 N ATOM 400 CA VAL A 30 -12.559 2.184 -0.488 1.00 4.23 C ATOM 401 C VAL A 30 -11.256 2.792 -1.017 1.00 2.69 C ATOM 402 O VAL A 30 -11.300 3.389 -2.098 1.00 3.37 O ATOM 403 CB VAL A 30 -13.035 1.009 -1.378 1.00 6.41 C ATOM 404 CG1 VAL A 30 -11.984 -0.094 -1.467 1.00 7.49 C ATOM 405 CG2 VAL A 30 -14.363 0.369 -0.923 1.00 8.20 C ATOM 0 H VAL A 30 -13.315 3.985 -1.172 1.00 3.75 H new ATOM 0 HA VAL A 30 -12.413 1.780 0.514 1.00 4.23 H new ATOM 0 HB VAL A 30 -13.198 1.465 -2.354 1.00 6.41 H new ATOM 0 HG11 VAL A 30 -12.355 -0.900 -2.100 1.00 7.49 H new ATOM 0 HG12 VAL A 30 -11.067 0.311 -1.895 1.00 7.49 H new ATOM 0 HG13 VAL A 30 -11.778 -0.482 -0.469 1.00 7.49 H new ATOM 0 HG21 VAL A 30 -14.625 -0.445 -1.599 1.00 8.20 H new ATOM 0 HG22 VAL A 30 -14.251 -0.021 0.089 1.00 8.20 H new ATOM 0 HG23 VAL A 30 -15.152 1.120 -0.937 1.00 8.20 H new ATOM 415 N GLN A 31 -10.187 2.681 -0.210 1.00 2.31 N ATOM 416 CA GLN A 31 -8.871 3.335 -0.256 1.00 1.83 C ATOM 417 C GLN A 31 -8.662 4.157 1.024 1.00 2.03 C ATOM 418 O GLN A 31 -8.881 5.368 1.037 1.00 3.47 O ATOM 419 CB GLN A 31 -8.624 4.165 -1.533 1.00 3.20 C ATOM 420 CG GLN A 31 -7.264 4.876 -1.644 1.00 2.95 C ATOM 421 CD GLN A 31 -6.040 3.984 -1.452 1.00 2.33 C ATOM 422 OE1 GLN A 31 -5.040 4.414 -0.904 1.00 2.91 O ATOM 423 NE2 GLN A 31 -6.044 2.736 -1.863 1.00 2.23 N ATOM 0 H GLN A 31 -10.234 2.050 0.590 1.00 2.31 H new ATOM 0 HA GLN A 31 -8.120 2.547 -0.303 1.00 1.83 H new ATOM 0 HB2 GLN A 31 -8.734 3.505 -2.394 1.00 3.20 H new ATOM 0 HB3 GLN A 31 -9.408 4.918 -1.606 1.00 3.20 H new ATOM 0 HG2 GLN A 31 -7.199 5.347 -2.625 1.00 2.95 H new ATOM 0 HG3 GLN A 31 -7.230 5.675 -0.904 1.00 2.95 H new ATOM 0 HE21 GLN A 31 -6.869 2.354 -2.324 1.00 2.23 H new ATOM 0 HE22 GLN A 31 -5.222 2.150 -1.721 1.00 2.23 H new ATOM 432 N GLY A 32 -8.219 3.504 2.104 1.00 1.56 N ATOM 433 CA GLY A 32 -7.835 4.146 3.374 1.00 1.70 C ATOM 434 C GLY A 32 -6.340 4.065 3.702 1.00 1.50 C ATOM 435 O GLY A 32 -5.944 4.514 4.782 1.00 2.02 O ATOM 0 H GLY A 32 -8.114 2.490 2.124 1.00 1.56 H new ATOM 0 HA2 GLY A 32 -8.130 5.195 3.340 1.00 1.70 H new ATOM 0 HA3 GLY A 32 -8.397 3.683 4.185 1.00 1.70 H new ATOM 439 N ALA A 33 -5.549 3.460 2.801 1.00 1.16 N ATOM 440 CA ALA A 33 -4.126 3.138 2.954 1.00 1.14 C ATOM 441 C ALA A 33 -3.863 2.413 4.290 1.00 1.10 C ATOM 442 O ALA A 33 -3.456 3.023 5.283 1.00 1.24 O ATOM 443 CB ALA A 33 -3.300 4.416 2.736 1.00 1.44 C ATOM 0 H ALA A 33 -5.910 3.166 1.893 1.00 1.16 H new ATOM 0 HA ALA A 33 -3.805 2.426 2.194 1.00 1.14 H new ATOM 0 HB1 ALA A 33 -2.240 4.188 2.848 1.00 1.44 H new ATOM 0 HB2 ALA A 33 -3.484 4.802 1.733 1.00 1.44 H new ATOM 0 HB3 ALA A 33 -3.589 5.166 3.472 1.00 1.44 H new ATOM 449 N THR A 34 -4.174 1.112 4.332 1.00 1.19 N ATOM 450 CA THR A 34 -4.266 0.362 5.585 1.00 1.25 C ATOM 451 C THR A 34 -2.934 -0.290 5.955 1.00 1.10 C ATOM 452 O THR A 34 -2.257 -0.842 5.096 1.00 1.28 O ATOM 453 CB THR A 34 -5.403 -0.663 5.570 1.00 1.49 C ATOM 454 OG1 THR A 34 -6.578 -0.091 5.031 1.00 1.77 O ATOM 455 CG2 THR A 34 -5.786 -1.063 6.995 1.00 1.69 C ATOM 0 H THR A 34 -4.368 0.554 3.501 1.00 1.19 H new ATOM 0 HA THR A 34 -4.505 1.088 6.362 1.00 1.25 H new ATOM 0 HB THR A 34 -5.049 -1.512 4.985 1.00 1.49 H new ATOM 0 HG1 THR A 34 -7.295 -0.759 5.027 1.00 1.77 H new ATOM 0 HG21 THR A 34 -6.596 -1.792 6.963 1.00 1.69 H new ATOM 0 HG22 THR A 34 -4.922 -1.502 7.494 1.00 1.69 H new ATOM 0 HG23 THR A 34 -6.114 -0.181 7.545 1.00 1.69 H new ATOM 463 N VAL A 35 -2.569 -0.273 7.234 1.00 1.03 N ATOM 464 CA VAL A 35 -1.391 -0.971 7.791 1.00 0.92 C ATOM 465 C VAL A 35 -1.820 -2.140 8.682 1.00 1.03 C ATOM 466 O VAL A 35 -2.844 -2.079 9.366 1.00 1.21 O ATOM 467 CB VAL A 35 -0.461 -0.037 8.605 1.00 0.85 C ATOM 468 CG1 VAL A 35 0.945 -0.644 8.773 1.00 0.93 C ATOM 469 CG2 VAL A 35 -0.304 1.339 7.934 1.00 0.95 C ATOM 0 H VAL A 35 -3.095 0.240 7.942 1.00 1.03 H new ATOM 0 HA VAL A 35 -0.830 -1.338 6.931 1.00 0.92 H new ATOM 0 HB VAL A 35 -0.935 0.081 9.580 1.00 0.85 H new ATOM 0 HG11 VAL A 35 1.570 0.039 9.349 1.00 0.93 H new ATOM 0 HG12 VAL A 35 0.870 -1.597 9.297 1.00 0.93 H new ATOM 0 HG13 VAL A 35 1.392 -0.804 7.792 1.00 0.93 H new ATOM 0 HG21 VAL A 35 0.355 1.964 8.536 1.00 0.95 H new ATOM 0 HG22 VAL A 35 0.124 1.212 6.940 1.00 0.95 H new ATOM 0 HG23 VAL A 35 -1.280 1.817 7.851 1.00 0.95 H new ATOM 479 N ALA A 36 -1.004 -3.197 8.710 1.00 0.99 N ATOM 480 CA ALA A 36 -1.100 -4.277 9.683 1.00 1.11 C ATOM 481 C ALA A 36 -0.459 -3.845 11.013 1.00 1.15 C ATOM 482 O ALA A 36 0.762 -3.714 11.115 1.00 1.62 O ATOM 483 CB ALA A 36 -0.450 -5.546 9.104 1.00 1.23 C ATOM 0 H ALA A 36 -0.244 -3.324 8.041 1.00 0.99 H new ATOM 0 HA ALA A 36 -2.145 -4.505 9.890 1.00 1.11 H new ATOM 0 HB1 ALA A 36 -0.521 -6.355 9.831 1.00 1.23 H new ATOM 0 HB2 ALA A 36 -0.967 -5.834 8.189 1.00 1.23 H new ATOM 0 HB3 ALA A 36 0.599 -5.349 8.882 1.00 1.23 H new ATOM 489 N ALA A 37 -1.303 -3.633 12.023 1.00 1.13 N ATOM 490 CA ALA A 37 -0.919 -3.356 13.412 1.00 1.10 C ATOM 491 C ALA A 37 0.228 -4.247 13.919 1.00 1.00 C ATOM 492 O ALA A 37 0.181 -5.456 13.696 1.00 1.17 O ATOM 493 CB ALA A 37 -2.155 -3.581 14.294 1.00 1.53 C ATOM 0 H ALA A 37 -2.315 -3.650 11.893 1.00 1.13 H new ATOM 0 HA ALA A 37 -0.558 -2.329 13.460 1.00 1.10 H new ATOM 0 HB1 ALA A 37 -1.900 -3.382 15.335 1.00 1.53 H new ATOM 0 HB2 ALA A 37 -2.953 -2.908 13.981 1.00 1.53 H new ATOM 0 HB3 ALA A 37 -2.491 -4.613 14.193 1.00 1.53 H new ATOM 499 N VAL A 38 1.172 -3.667 14.668 1.00 1.05 N ATOM 500 CA VAL A 38 2.260 -4.393 15.354 1.00 1.12 C ATOM 501 C VAL A 38 2.681 -3.658 16.643 1.00 1.36 C ATOM 502 O VAL A 38 2.739 -2.423 16.636 1.00 1.55 O ATOM 503 CB VAL A 38 3.505 -4.640 14.458 1.00 1.18 C ATOM 504 CG1 VAL A 38 3.286 -5.799 13.474 1.00 2.03 C ATOM 505 CG2 VAL A 38 3.988 -3.388 13.704 1.00 2.51 C ATOM 0 H VAL A 38 1.207 -2.659 14.821 1.00 1.05 H new ATOM 0 HA VAL A 38 1.851 -5.372 15.603 1.00 1.12 H new ATOM 0 HB VAL A 38 4.297 -4.914 15.154 1.00 1.18 H new ATOM 0 HG11 VAL A 38 4.182 -5.936 12.868 1.00 2.03 H new ATOM 0 HG12 VAL A 38 3.080 -6.714 14.030 1.00 2.03 H new ATOM 0 HG13 VAL A 38 2.440 -5.571 12.825 1.00 2.03 H new ATOM 0 HG21 VAL A 38 4.860 -3.640 13.101 1.00 2.51 H new ATOM 0 HG22 VAL A 38 3.191 -3.024 13.056 1.00 2.51 H new ATOM 0 HG23 VAL A 38 4.256 -2.612 14.421 1.00 2.51 H new ATOM 515 N PRO A 39 2.966 -4.378 17.751 1.00 1.46 N ATOM 516 CA PRO A 39 3.386 -3.797 19.029 1.00 1.74 C ATOM 517 C PRO A 39 4.866 -3.360 18.995 1.00 1.73 C ATOM 518 O PRO A 39 5.595 -3.796 18.106 1.00 1.59 O ATOM 519 CB PRO A 39 3.154 -4.918 20.055 1.00 1.88 C ATOM 520 CG PRO A 39 3.424 -6.187 19.249 1.00 1.70 C ATOM 521 CD PRO A 39 2.870 -5.830 17.872 1.00 1.43 C ATOM 0 HA PRO A 39 2.827 -2.893 19.272 1.00 1.74 H new ATOM 0 HB2 PRO A 39 3.828 -4.831 20.907 1.00 1.88 H new ATOM 0 HB3 PRO A 39 2.138 -4.900 20.449 1.00 1.88 H new ATOM 0 HG2 PRO A 39 4.487 -6.424 19.209 1.00 1.70 H new ATOM 0 HG3 PRO A 39 2.920 -7.054 19.677 1.00 1.70 H new ATOM 0 HD2 PRO A 39 3.440 -6.324 17.085 1.00 1.43 H new ATOM 0 HD3 PRO A 39 1.836 -6.160 17.772 1.00 1.43 H new ATOM 529 N PRO A 40 5.350 -2.569 19.980 1.00 1.94 N ATOM 530 CA PRO A 40 6.759 -2.157 20.089 1.00 1.97 C ATOM 531 C PRO A 40 7.762 -3.308 20.269 1.00 1.93 C ATOM 532 O PRO A 40 8.970 -3.094 20.176 1.00 3.03 O ATOM 533 CB PRO A 40 6.820 -1.212 21.293 1.00 2.23 C ATOM 534 CG PRO A 40 5.587 -1.561 22.120 1.00 2.38 C ATOM 535 CD PRO A 40 4.572 -1.972 21.059 1.00 2.25 C ATOM 0 HA PRO A 40 7.059 -1.691 19.150 1.00 1.97 H new ATOM 0 HB2 PRO A 40 7.736 -1.359 21.866 1.00 2.23 H new ATOM 0 HB3 PRO A 40 6.804 -0.168 20.979 1.00 2.23 H new ATOM 0 HG2 PRO A 40 5.787 -2.370 22.823 1.00 2.38 H new ATOM 0 HG3 PRO A 40 5.238 -0.710 22.705 1.00 2.38 H new ATOM 0 HD2 PRO A 40 3.851 -2.683 21.462 1.00 2.25 H new ATOM 0 HD3 PRO A 40 4.006 -1.111 20.704 1.00 2.25 H new ATOM 543 N SER A 41 7.280 -4.525 20.531 1.00 1.97 N ATOM 544 CA SER A 41 8.078 -5.762 20.526 1.00 2.26 C ATOM 545 C SER A 41 8.328 -6.353 19.117 1.00 2.11 C ATOM 546 O SER A 41 9.021 -7.366 19.013 1.00 2.54 O ATOM 547 CB SER A 41 7.381 -6.819 21.404 1.00 2.76 C ATOM 548 OG SER A 41 8.197 -7.966 21.580 1.00 3.22 O ATOM 0 H SER A 41 6.299 -4.686 20.759 1.00 1.97 H new ATOM 0 HA SER A 41 9.058 -5.495 20.922 1.00 2.26 H new ATOM 0 HB2 SER A 41 7.143 -6.387 22.376 1.00 2.76 H new ATOM 0 HB3 SER A 41 6.436 -7.110 20.945 1.00 2.76 H new ATOM 0 HG SER A 41 8.690 -8.147 20.752 1.00 3.22 H new ATOM 554 N ILE A 42 7.762 -5.785 18.044 1.00 1.69 N ATOM 555 CA ILE A 42 7.883 -6.257 16.657 1.00 1.54 C ATOM 556 C ILE A 42 8.198 -5.048 15.756 1.00 1.44 C ATOM 557 O ILE A 42 7.605 -3.983 15.934 1.00 1.67 O ATOM 558 CB ILE A 42 6.547 -6.906 16.228 1.00 1.58 C ATOM 559 CG1 ILE A 42 6.135 -8.101 17.119 1.00 1.93 C ATOM 560 CG2 ILE A 42 6.547 -7.305 14.739 1.00 1.54 C ATOM 561 CD1 ILE A 42 6.973 -9.377 16.972 1.00 2.39 C ATOM 0 H ILE A 42 7.183 -4.949 18.121 1.00 1.69 H new ATOM 0 HA ILE A 42 8.681 -6.995 16.570 1.00 1.54 H new ATOM 0 HB ILE A 42 5.792 -6.133 16.370 1.00 1.58 H new ATOM 0 HG12 ILE A 42 6.177 -7.782 18.160 1.00 1.93 H new ATOM 0 HG13 ILE A 42 5.095 -8.347 16.902 1.00 1.93 H new ATOM 0 HG21 ILE A 42 5.588 -7.757 14.483 1.00 1.54 H new ATOM 0 HG22 ILE A 42 6.706 -6.419 14.125 1.00 1.54 H new ATOM 0 HG23 ILE A 42 7.347 -8.022 14.555 1.00 1.54 H new ATOM 0 HD11 ILE A 42 6.590 -10.143 17.646 1.00 2.39 H new ATOM 0 HD12 ILE A 42 6.914 -9.735 15.944 1.00 2.39 H new ATOM 0 HD13 ILE A 42 8.012 -9.161 17.222 1.00 2.39 H new ATOM 573 N ARG A 43 9.113 -5.206 14.786 1.00 1.29 N ATOM 574 CA ARG A 43 9.540 -4.124 13.886 1.00 1.27 C ATOM 575 C ARG A 43 9.568 -4.495 12.390 1.00 1.04 C ATOM 576 O ARG A 43 10.284 -3.848 11.628 1.00 1.07 O ATOM 577 CB ARG A 43 10.811 -3.417 14.410 1.00 1.64 C ATOM 578 CG ARG A 43 12.080 -4.278 14.555 1.00 2.03 C ATOM 579 CD ARG A 43 13.243 -3.361 14.970 1.00 2.55 C ATOM 580 NE ARG A 43 14.450 -4.123 15.358 1.00 3.16 N ATOM 581 CZ ARG A 43 15.682 -3.630 15.438 1.00 3.77 C ATOM 582 NH1 ARG A 43 15.967 -2.381 15.144 1.00 4.14 N ATOM 583 NH2 ARG A 43 16.644 -4.395 15.901 1.00 4.58 N ATOM 0 H ARG A 43 9.580 -6.094 14.604 1.00 1.29 H new ATOM 0 HA ARG A 43 8.748 -3.376 13.914 1.00 1.27 H new ATOM 0 HB2 ARG A 43 11.039 -2.588 13.740 1.00 1.64 H new ATOM 0 HB3 ARG A 43 10.581 -2.985 15.384 1.00 1.64 H new ATOM 0 HG2 ARG A 43 11.926 -5.057 15.301 1.00 2.03 H new ATOM 0 HG3 ARG A 43 12.309 -4.778 13.614 1.00 2.03 H new ATOM 0 HD2 ARG A 43 13.488 -2.693 14.144 1.00 2.55 H new ATOM 0 HD3 ARG A 43 12.928 -2.734 15.804 1.00 2.55 H new ATOM 0 HE ARG A 43 14.327 -5.110 15.583 1.00 3.16 H new ATOM 0 HH11 ARG A 43 15.228 -1.747 14.840 1.00 4.14 H new ATOM 0 HH12 ARG A 43 16.927 -2.046 15.220 1.00 4.14 H new ATOM 0 HH21 ARG A 43 16.440 -5.351 16.192 1.00 4.58 H new ATOM 0 HH22 ARG A 43 17.595 -4.033 15.969 1.00 4.58 H new ATOM 597 N ASP A 44 8.730 -5.438 11.960 1.00 1.00 N ATOM 598 CA ASP A 44 8.437 -5.719 10.554 1.00 0.96 C ATOM 599 C ASP A 44 6.914 -5.793 10.402 1.00 0.93 C ATOM 600 O ASP A 44 6.252 -6.367 11.269 1.00 1.01 O ATOM 601 CB ASP A 44 9.072 -7.052 10.115 1.00 1.14 C ATOM 602 CG ASP A 44 10.604 -7.063 10.101 1.00 1.31 C ATOM 603 OD1 ASP A 44 11.202 -7.037 11.197 1.00 1.95 O ATOM 604 OD2 ASP A 44 11.195 -7.209 9.007 1.00 2.29 O ATOM 0 H ASP A 44 8.220 -6.047 12.600 1.00 1.00 H new ATOM 0 HA ASP A 44 8.853 -4.932 9.925 1.00 0.96 H new ATOM 0 HB2 ASP A 44 8.724 -7.841 10.782 1.00 1.14 H new ATOM 0 HB3 ASP A 44 8.712 -7.297 9.116 1.00 1.14 H new ATOM 609 N THR A 45 6.356 -5.250 9.309 1.00 0.94 N ATOM 610 CA THR A 45 4.914 -5.337 8.994 1.00 1.08 C ATOM 611 C THR A 45 4.601 -5.011 7.532 1.00 0.89 C ATOM 612 O THR A 45 5.505 -4.792 6.737 1.00 0.90 O ATOM 613 CB THR A 45 4.063 -4.547 10.002 1.00 1.32 C ATOM 614 OG1 THR A 45 2.755 -5.056 9.892 1.00 2.77 O ATOM 615 CG2 THR A 45 4.055 -3.033 9.777 1.00 1.67 C ATOM 0 H THR A 45 6.893 -4.734 8.612 1.00 0.94 H new ATOM 0 HA THR A 45 4.625 -6.382 9.109 1.00 1.08 H new ATOM 0 HB THR A 45 4.493 -4.675 10.995 1.00 1.32 H new ATOM 0 HG1 THR A 45 2.160 -4.562 10.494 1.00 2.77 H new ATOM 0 HG21 THR A 45 3.431 -2.556 10.533 1.00 1.67 H new ATOM 0 HG22 THR A 45 5.072 -2.649 9.852 1.00 1.67 H new ATOM 0 HG23 THR A 45 3.656 -2.814 8.786 1.00 1.67 H new ATOM 623 N ALA A 46 3.320 -5.011 7.165 1.00 0.97 N ATOM 624 CA ALA A 46 2.790 -4.896 5.809 1.00 1.01 C ATOM 625 C ALA A 46 1.679 -3.835 5.713 1.00 0.93 C ATOM 626 O ALA A 46 0.796 -3.785 6.574 1.00 1.07 O ATOM 627 CB ALA A 46 2.254 -6.283 5.436 1.00 1.18 C ATOM 0 H ALA A 46 2.575 -5.097 7.856 1.00 0.97 H new ATOM 0 HA ALA A 46 3.572 -4.571 5.122 1.00 1.01 H new ATOM 0 HB1 ALA A 46 1.844 -6.255 4.427 1.00 1.18 H new ATOM 0 HB2 ALA A 46 3.065 -7.010 5.478 1.00 1.18 H new ATOM 0 HB3 ALA A 46 1.472 -6.572 6.138 1.00 1.18 H new ATOM 633 N ALA A 47 1.704 -3.026 4.648 1.00 1.02 N ATOM 634 CA ALA A 47 0.631 -2.105 4.273 1.00 1.04 C ATOM 635 C ALA A 47 -0.006 -2.507 2.930 1.00 1.30 C ATOM 636 O ALA A 47 0.679 -2.932 1.995 1.00 1.62 O ATOM 637 CB ALA A 47 1.173 -0.672 4.253 1.00 0.98 C ATOM 0 H ALA A 47 2.496 -2.995 4.006 1.00 1.02 H new ATOM 0 HA ALA A 47 -0.165 -2.158 5.016 1.00 1.04 H new ATOM 0 HB1 ALA A 47 0.374 0.015 3.974 1.00 0.98 H new ATOM 0 HB2 ALA A 47 1.547 -0.411 5.243 1.00 0.98 H new ATOM 0 HB3 ALA A 47 1.984 -0.600 3.528 1.00 0.98 H new ATOM 643 N TYR A 48 -1.327 -2.377 2.866 1.00 1.31 N ATOM 644 CA TYR A 48 -2.250 -2.961 1.887 1.00 1.51 C ATOM 645 C TYR A 48 -3.517 -2.085 1.779 1.00 1.04 C ATOM 646 O TYR A 48 -3.805 -1.290 2.675 1.00 1.07 O ATOM 647 CB TYR A 48 -2.597 -4.388 2.350 1.00 2.19 C ATOM 648 CG TYR A 48 -3.218 -4.444 3.736 1.00 1.55 C ATOM 649 CD1 TYR A 48 -4.615 -4.335 3.894 1.00 2.58 C ATOM 650 CD2 TYR A 48 -2.393 -4.523 4.875 1.00 2.51 C ATOM 651 CE1 TYR A 48 -5.181 -4.255 5.181 1.00 3.56 C ATOM 652 CE2 TYR A 48 -2.955 -4.438 6.160 1.00 3.27 C ATOM 653 CZ TYR A 48 -4.347 -4.278 6.322 1.00 3.59 C ATOM 654 OH TYR A 48 -4.883 -4.158 7.567 1.00 5.00 O ATOM 0 H TYR A 48 -1.826 -1.813 3.554 1.00 1.31 H new ATOM 0 HA TYR A 48 -1.792 -3.004 0.899 1.00 1.51 H new ATOM 0 HB2 TYR A 48 -3.286 -4.836 1.634 1.00 2.19 H new ATOM 0 HB3 TYR A 48 -1.691 -4.994 2.342 1.00 2.19 H new ATOM 0 HD1 TYR A 48 -5.254 -4.313 3.024 1.00 2.58 H new ATOM 0 HD2 TYR A 48 -1.327 -4.649 4.760 1.00 2.51 H new ATOM 0 HE1 TYR A 48 -6.252 -4.176 5.296 1.00 3.56 H new ATOM 0 HE2 TYR A 48 -2.317 -4.496 7.029 1.00 3.27 H new ATOM 0 HH TYR A 48 -4.168 -4.195 8.236 1.00 5.00 H new ATOM 664 N MET A 49 -4.296 -2.198 0.696 1.00 0.95 N ATOM 665 CA MET A 49 -5.414 -1.282 0.386 1.00 1.14 C ATOM 666 C MET A 49 -6.244 -1.719 -0.836 1.00 1.10 C ATOM 667 O MET A 49 -6.061 -2.816 -1.351 1.00 1.21 O ATOM 668 CB MET A 49 -4.928 0.186 0.288 1.00 1.58 C ATOM 669 CG MET A 49 -3.833 0.437 -0.757 1.00 2.43 C ATOM 670 SD MET A 49 -2.891 1.945 -0.412 1.00 3.48 S ATOM 671 CE MET A 49 -2.366 2.411 -2.074 1.00 5.13 C ATOM 0 H MET A 49 -4.171 -2.933 0.000 1.00 0.95 H new ATOM 0 HA MET A 49 -6.105 -1.339 1.227 1.00 1.14 H new ATOM 0 HB2 MET A 49 -5.783 0.821 0.057 1.00 1.58 H new ATOM 0 HB3 MET A 49 -4.556 0.496 1.264 1.00 1.58 H new ATOM 0 HG2 MET A 49 -3.154 -0.416 -0.782 1.00 2.43 H new ATOM 0 HG3 MET A 49 -4.287 0.512 -1.745 1.00 2.43 H new ATOM 0 HE1 MET A 49 -1.511 3.084 -2.010 1.00 5.13 H new ATOM 0 HE2 MET A 49 -2.084 1.517 -2.630 1.00 5.13 H new ATOM 0 HE3 MET A 49 -3.186 2.914 -2.587 1.00 5.13 H new ATOM 681 N THR A 50 -7.184 -0.903 -1.325 1.00 1.17 N ATOM 682 CA THR A 50 -8.040 -1.158 -2.508 1.00 1.18 C ATOM 683 C THR A 50 -8.501 0.175 -3.085 1.00 1.34 C ATOM 684 O THR A 50 -8.429 1.185 -2.397 1.00 1.73 O ATOM 685 CB THR A 50 -9.249 -2.011 -2.093 1.00 1.37 C ATOM 686 OG1 THR A 50 -8.812 -3.216 -1.521 1.00 1.87 O ATOM 687 CG2 THR A 50 -10.174 -2.440 -3.238 1.00 2.06 C ATOM 0 H THR A 50 -7.385 -0.002 -0.892 1.00 1.17 H new ATOM 0 HA THR A 50 -7.476 -1.700 -3.268 1.00 1.18 H new ATOM 0 HB THR A 50 -9.800 -1.361 -1.414 1.00 1.37 H new ATOM 0 HG1 THR A 50 -9.588 -3.753 -1.258 1.00 1.87 H new ATOM 0 HG21 THR A 50 -10.994 -3.037 -2.839 1.00 2.06 H new ATOM 0 HG22 THR A 50 -10.576 -1.555 -3.732 1.00 2.06 H new ATOM 0 HG23 THR A 50 -9.611 -3.033 -3.958 1.00 2.06 H new ATOM 695 N LEU A 51 -8.977 0.220 -4.331 1.00 1.39 N ATOM 696 CA LEU A 51 -9.737 1.348 -4.891 1.00 1.53 C ATOM 697 C LEU A 51 -10.982 0.823 -5.616 1.00 1.44 C ATOM 698 O LEU A 51 -10.878 0.078 -6.592 1.00 1.84 O ATOM 699 CB LEU A 51 -8.840 2.167 -5.858 1.00 1.96 C ATOM 700 CG LEU A 51 -8.182 3.401 -5.211 1.00 2.67 C ATOM 701 CD1 LEU A 51 -7.065 3.983 -6.087 1.00 3.55 C ATOM 702 CD2 LEU A 51 -9.221 4.507 -4.959 1.00 3.58 C ATOM 0 H LEU A 51 -8.844 -0.542 -4.996 1.00 1.39 H new ATOM 0 HA LEU A 51 -10.056 2.006 -4.083 1.00 1.53 H new ATOM 0 HB2 LEU A 51 -8.059 1.516 -6.251 1.00 1.96 H new ATOM 0 HB3 LEU A 51 -9.441 2.492 -6.707 1.00 1.96 H new ATOM 0 HG LEU A 51 -7.755 3.062 -4.267 1.00 2.67 H new ATOM 0 HD11 LEU A 51 -6.629 4.851 -5.592 1.00 3.55 H new ATOM 0 HD12 LEU A 51 -6.294 3.229 -6.242 1.00 3.55 H new ATOM 0 HD13 LEU A 51 -7.477 4.284 -7.050 1.00 3.55 H new ATOM 0 HD21 LEU A 51 -8.733 5.368 -4.502 1.00 3.58 H new ATOM 0 HD22 LEU A 51 -9.671 4.806 -5.906 1.00 3.58 H new ATOM 0 HD23 LEU A 51 -9.996 4.132 -4.291 1.00 3.58 H new ATOM 714 N THR A 52 -12.172 1.213 -5.146 1.00 1.45 N ATOM 715 CA THR A 52 -13.447 0.843 -5.792 1.00 1.59 C ATOM 716 C THR A 52 -13.786 1.855 -6.876 1.00 1.47 C ATOM 717 O THR A 52 -13.693 3.059 -6.669 1.00 1.67 O ATOM 718 CB THR A 52 -14.597 0.695 -4.782 1.00 2.15 C ATOM 719 OG1 THR A 52 -15.671 0.062 -5.434 1.00 2.74 O ATOM 720 CG2 THR A 52 -15.149 2.003 -4.208 1.00 2.61 C ATOM 0 H THR A 52 -12.284 1.790 -4.313 1.00 1.45 H new ATOM 0 HA THR A 52 -13.319 -0.138 -6.249 1.00 1.59 H new ATOM 0 HB THR A 52 -14.176 0.135 -3.947 1.00 2.15 H new ATOM 0 HG1 THR A 52 -16.185 -0.462 -4.785 1.00 2.74 H new ATOM 0 HG21 THR A 52 -15.955 1.782 -3.508 1.00 2.61 H new ATOM 0 HG22 THR A 52 -14.353 2.537 -3.688 1.00 2.61 H new ATOM 0 HG23 THR A 52 -15.533 2.623 -5.018 1.00 2.61 H new ATOM 728 N ASN A 53 -14.268 1.340 -7.999 1.00 1.57 N ATOM 729 CA ASN A 53 -14.795 2.092 -9.133 1.00 1.59 C ATOM 730 C ASN A 53 -16.240 1.696 -9.407 1.00 1.78 C ATOM 731 O ASN A 53 -16.513 0.563 -9.783 1.00 2.00 O ATOM 732 CB ASN A 53 -13.948 1.848 -10.395 1.00 1.61 C ATOM 733 CG ASN A 53 -12.672 2.682 -10.416 1.00 1.62 C ATOM 734 OD1 ASN A 53 -12.580 3.755 -9.853 1.00 2.89 O ATOM 735 ND2 ASN A 53 -11.665 2.216 -11.097 1.00 1.87 N ATOM 0 H ASN A 53 -14.304 0.332 -8.153 1.00 1.57 H new ATOM 0 HA ASN A 53 -14.753 3.152 -8.880 1.00 1.59 H new ATOM 0 HB2 ASN A 53 -13.688 0.791 -10.454 1.00 1.61 H new ATOM 0 HB3 ASN A 53 -14.544 2.080 -11.278 1.00 1.61 H new ATOM 0 HD21 ASN A 53 -10.799 2.752 -11.158 1.00 1.87 H new ATOM 0 HD22 ASN A 53 -11.742 1.315 -11.570 1.00 1.87 H new ATOM 742 N LYS A 54 -17.149 2.658 -9.255 1.00 1.88 N ATOM 743 CA LYS A 54 -18.586 2.515 -9.543 1.00 2.12 C ATOM 744 C LYS A 54 -19.018 3.561 -10.602 1.00 1.94 C ATOM 745 O LYS A 54 -19.858 4.424 -10.362 1.00 2.25 O ATOM 746 CB LYS A 54 -19.325 2.538 -8.182 1.00 2.64 C ATOM 747 CG LYS A 54 -19.234 1.153 -7.496 1.00 3.11 C ATOM 748 CD LYS A 54 -19.125 1.185 -5.963 1.00 3.80 C ATOM 749 CE LYS A 54 -18.985 -0.250 -5.418 1.00 4.88 C ATOM 750 NZ LYS A 54 -18.697 -0.271 -3.963 1.00 5.67 N ATOM 0 H LYS A 54 -16.904 3.589 -8.918 1.00 1.88 H new ATOM 0 HA LYS A 54 -18.851 1.568 -10.014 1.00 2.12 H new ATOM 0 HB2 LYS A 54 -18.888 3.300 -7.537 1.00 2.64 H new ATOM 0 HB3 LYS A 54 -20.370 2.808 -8.333 1.00 2.64 H new ATOM 0 HG2 LYS A 54 -20.115 0.572 -7.769 1.00 3.11 H new ATOM 0 HG3 LYS A 54 -18.368 0.625 -7.894 1.00 3.11 H new ATOM 0 HD2 LYS A 54 -18.264 1.783 -5.663 1.00 3.80 H new ATOM 0 HD3 LYS A 54 -20.008 1.661 -5.537 1.00 3.80 H new ATOM 0 HE2 LYS A 54 -19.904 -0.802 -5.613 1.00 4.88 H new ATOM 0 HE3 LYS A 54 -18.186 -0.763 -5.952 1.00 4.88 H new ATOM 0 HZ1 LYS A 54 -18.611 -1.256 -3.640 1.00 5.67 H new ATOM 0 HZ2 LYS A 54 -17.806 0.233 -3.778 1.00 5.67 H new ATOM 0 HZ3 LYS A 54 -19.472 0.195 -3.449 1.00 5.67 H new ATOM 764 N SER A 55 -18.344 3.478 -11.759 1.00 1.72 N ATOM 765 CA SER A 55 -18.367 4.286 -13.000 1.00 1.67 C ATOM 766 C SER A 55 -16.990 4.158 -13.695 1.00 1.46 C ATOM 767 O SER A 55 -16.000 3.805 -13.044 1.00 1.94 O ATOM 768 CB SER A 55 -18.769 5.766 -12.813 1.00 2.06 C ATOM 769 OG SER A 55 -20.150 5.893 -12.494 1.00 2.57 O ATOM 0 H SER A 55 -17.663 2.726 -11.865 1.00 1.72 H new ATOM 0 HA SER A 55 -19.161 3.880 -13.627 1.00 1.67 H new ATOM 0 HB2 SER A 55 -18.168 6.210 -12.019 1.00 2.06 H new ATOM 0 HB3 SER A 55 -18.552 6.321 -13.725 1.00 2.06 H new ATOM 0 HG SER A 55 -20.391 5.230 -11.813 1.00 2.57 H new ATOM 775 N ASP A 56 -16.913 4.409 -15.006 1.00 1.61 N ATOM 776 CA ASP A 56 -15.707 4.281 -15.834 1.00 1.53 C ATOM 777 C ASP A 56 -14.675 5.414 -15.577 1.00 1.56 C ATOM 778 O ASP A 56 -14.376 6.195 -16.483 1.00 1.90 O ATOM 779 CB ASP A 56 -16.107 4.238 -17.331 1.00 1.89 C ATOM 780 CG ASP A 56 -16.917 3.013 -17.768 1.00 3.00 C ATOM 781 OD1 ASP A 56 -17.920 2.670 -17.138 1.00 3.75 O ATOM 782 OD2 ASP A 56 -16.550 2.413 -18.834 1.00 4.01 O ATOM 0 H ASP A 56 -17.723 4.720 -15.543 1.00 1.61 H new ATOM 0 HA ASP A 56 -15.216 3.349 -15.554 1.00 1.53 H new ATOM 0 HB2 ASP A 56 -16.685 5.133 -17.559 1.00 1.89 H new ATOM 0 HB3 ASP A 56 -15.199 4.283 -17.932 1.00 1.89 H new ATOM 787 N GLN A 57 -14.117 5.528 -14.359 1.00 1.47 N ATOM 788 CA GLN A 57 -13.091 6.533 -14.027 1.00 1.63 C ATOM 789 C GLN A 57 -11.701 5.906 -13.736 1.00 1.58 C ATOM 790 O GLN A 57 -11.559 5.180 -12.747 1.00 1.74 O ATOM 791 CB GLN A 57 -13.594 7.495 -12.938 1.00 1.90 C ATOM 792 CG GLN A 57 -13.651 6.974 -11.493 1.00 2.39 C ATOM 793 CD GLN A 57 -12.475 7.436 -10.622 1.00 3.65 C ATOM 794 OE1 GLN A 57 -12.048 8.576 -10.642 1.00 3.92 O ATOM 795 NE2 GLN A 57 -11.928 6.588 -9.791 1.00 5.09 N ATOM 0 H GLN A 57 -14.365 4.924 -13.575 1.00 1.47 H new ATOM 0 HA GLN A 57 -12.922 7.142 -14.915 1.00 1.63 H new ATOM 0 HB2 GLN A 57 -12.956 8.379 -12.951 1.00 1.90 H new ATOM 0 HB3 GLN A 57 -14.596 7.822 -13.216 1.00 1.90 H new ATOM 0 HG2 GLN A 57 -14.583 7.304 -11.034 1.00 2.39 H new ATOM 0 HG3 GLN A 57 -13.673 5.884 -11.510 1.00 2.39 H new ATOM 0 HE21 GLN A 57 -12.263 5.626 -9.750 1.00 5.09 H new ATOM 0 HE22 GLN A 57 -11.166 6.889 -9.183 1.00 5.09 H new ATOM 804 N PRO A 58 -10.677 6.163 -14.580 1.00 1.60 N ATOM 805 CA PRO A 58 -9.316 5.679 -14.376 1.00 1.69 C ATOM 806 C PRO A 58 -8.392 6.752 -13.770 1.00 1.74 C ATOM 807 O PRO A 58 -8.651 7.955 -13.859 1.00 2.31 O ATOM 808 CB PRO A 58 -8.843 5.275 -15.772 1.00 1.90 C ATOM 809 CG PRO A 58 -9.471 6.360 -16.647 1.00 1.95 C ATOM 810 CD PRO A 58 -10.806 6.646 -15.951 1.00 1.74 C ATOM 0 HA PRO A 58 -9.291 4.854 -13.664 1.00 1.69 H new ATOM 0 HB2 PRO A 58 -7.756 5.268 -15.848 1.00 1.90 H new ATOM 0 HB3 PRO A 58 -9.188 4.278 -16.047 1.00 1.90 H new ATOM 0 HG2 PRO A 58 -8.844 7.250 -16.696 1.00 1.95 H new ATOM 0 HG3 PRO A 58 -9.617 6.016 -17.671 1.00 1.95 H new ATOM 0 HD2 PRO A 58 -11.029 7.713 -15.966 1.00 1.74 H new ATOM 0 HD3 PRO A 58 -11.625 6.142 -16.463 1.00 1.74 H new ATOM 818 N ILE A 59 -7.262 6.305 -13.209 1.00 1.59 N ATOM 819 CA ILE A 59 -6.226 7.126 -12.555 1.00 1.70 C ATOM 820 C ILE A 59 -4.854 6.439 -12.669 1.00 1.74 C ATOM 821 O ILE A 59 -4.798 5.214 -12.745 1.00 2.13 O ATOM 822 CB ILE A 59 -6.634 7.457 -11.089 1.00 1.97 C ATOM 823 CG1 ILE A 59 -6.385 8.955 -10.813 1.00 3.12 C ATOM 824 CG2 ILE A 59 -5.931 6.582 -10.030 1.00 2.33 C ATOM 825 CD1 ILE A 59 -6.868 9.435 -9.438 1.00 3.58 C ATOM 0 H ILE A 59 -7.030 5.312 -13.196 1.00 1.59 H new ATOM 0 HA ILE A 59 -6.138 8.084 -13.068 1.00 1.70 H new ATOM 0 HB ILE A 59 -7.695 7.226 -10.997 1.00 1.97 H new ATOM 0 HG12 ILE A 59 -5.317 9.155 -10.900 1.00 3.12 H new ATOM 0 HG13 ILE A 59 -6.883 9.542 -11.585 1.00 3.12 H new ATOM 0 HG21 ILE A 59 -6.268 6.874 -9.035 1.00 2.33 H new ATOM 0 HG22 ILE A 59 -6.176 5.534 -10.203 1.00 2.33 H new ATOM 0 HG23 ILE A 59 -4.852 6.719 -10.102 1.00 2.33 H new ATOM 0 HD11 ILE A 59 -6.654 10.498 -9.328 1.00 3.58 H new ATOM 0 HD12 ILE A 59 -7.942 9.270 -9.352 1.00 3.58 H new ATOM 0 HD13 ILE A 59 -6.352 8.878 -8.656 1.00 3.58 H new ATOM 837 N LYS A 60 -3.764 7.211 -12.701 1.00 1.67 N ATOM 838 CA LYS A 60 -2.408 6.719 -13.014 1.00 2.00 C ATOM 839 C LYS A 60 -1.417 6.934 -11.852 1.00 1.62 C ATOM 840 O LYS A 60 -1.032 8.062 -11.553 1.00 1.61 O ATOM 841 CB LYS A 60 -1.917 7.360 -14.332 1.00 2.76 C ATOM 842 CG LYS A 60 -1.944 8.906 -14.404 1.00 3.51 C ATOM 843 CD LYS A 60 -2.920 9.527 -15.419 1.00 4.13 C ATOM 844 CE LYS A 60 -4.396 9.252 -15.090 1.00 4.50 C ATOM 845 NZ LYS A 60 -5.293 10.310 -15.615 1.00 5.35 N ATOM 0 H LYS A 60 -3.793 8.212 -12.508 1.00 1.67 H new ATOM 0 HA LYS A 60 -2.459 5.639 -13.151 1.00 2.00 H new ATOM 0 HB2 LYS A 60 -0.894 7.029 -14.511 1.00 2.76 H new ATOM 0 HB3 LYS A 60 -2.526 6.970 -15.148 1.00 2.76 H new ATOM 0 HG2 LYS A 60 -2.191 9.290 -13.414 1.00 3.51 H new ATOM 0 HG3 LYS A 60 -0.938 9.255 -14.640 1.00 3.51 H new ATOM 0 HD2 LYS A 60 -2.758 10.604 -15.456 1.00 4.13 H new ATOM 0 HD3 LYS A 60 -2.698 9.137 -16.412 1.00 4.13 H new ATOM 0 HE2 LYS A 60 -4.687 8.289 -15.511 1.00 4.50 H new ATOM 0 HE3 LYS A 60 -4.518 9.178 -14.009 1.00 4.50 H new ATOM 0 HZ1 LYS A 60 -6.278 10.083 -15.370 1.00 5.35 H new ATOM 0 HZ2 LYS A 60 -5.034 11.225 -15.195 1.00 5.35 H new ATOM 0 HZ3 LYS A 60 -5.197 10.364 -16.649 1.00 5.35 H new ATOM 859 N LEU A 61 -0.975 5.859 -11.187 1.00 1.66 N ATOM 860 CA LEU A 61 -0.203 5.923 -9.932 1.00 1.42 C ATOM 861 C LEU A 61 0.549 4.600 -9.667 1.00 1.32 C ATOM 862 O LEU A 61 0.161 3.545 -10.172 1.00 1.81 O ATOM 863 CB LEU A 61 -1.159 6.318 -8.765 1.00 1.58 C ATOM 864 CG LEU A 61 -0.727 7.453 -7.810 1.00 1.83 C ATOM 865 CD1 LEU A 61 0.648 7.194 -7.196 1.00 3.24 C ATOM 866 CD2 LEU A 61 -0.780 8.826 -8.485 1.00 3.46 C ATOM 0 H LEU A 61 -1.144 4.905 -11.507 1.00 1.66 H new ATOM 0 HA LEU A 61 0.567 6.690 -10.014 1.00 1.42 H new ATOM 0 HB2 LEU A 61 -2.117 6.599 -9.202 1.00 1.58 H new ATOM 0 HB3 LEU A 61 -1.333 5.426 -8.163 1.00 1.58 H new ATOM 0 HG LEU A 61 -1.452 7.462 -6.996 1.00 1.83 H new ATOM 0 HD11 LEU A 61 0.911 8.017 -6.532 1.00 3.24 H new ATOM 0 HD12 LEU A 61 0.624 6.264 -6.629 1.00 3.24 H new ATOM 0 HD13 LEU A 61 1.392 7.116 -7.989 1.00 3.24 H new ATOM 0 HD21 LEU A 61 -0.468 9.592 -7.776 1.00 3.46 H new ATOM 0 HD22 LEU A 61 -0.111 8.834 -9.346 1.00 3.46 H new ATOM 0 HD23 LEU A 61 -1.799 9.030 -8.815 1.00 3.46 H new ATOM 878 N VAL A 62 1.624 4.639 -8.872 1.00 1.10 N ATOM 879 CA VAL A 62 2.446 3.467 -8.496 1.00 1.22 C ATOM 880 C VAL A 62 1.978 2.832 -7.175 1.00 1.32 C ATOM 881 O VAL A 62 2.154 1.637 -6.971 1.00 2.07 O ATOM 882 CB VAL A 62 3.955 3.824 -8.386 1.00 1.64 C ATOM 883 CG1 VAL A 62 4.449 4.526 -9.662 1.00 1.92 C ATOM 884 CG2 VAL A 62 4.285 4.698 -7.161 1.00 2.67 C ATOM 0 H VAL A 62 1.962 5.508 -8.457 1.00 1.10 H new ATOM 0 HA VAL A 62 2.314 2.743 -9.300 1.00 1.22 H new ATOM 0 HB VAL A 62 4.475 2.875 -8.260 1.00 1.64 H new ATOM 0 HG11 VAL A 62 5.507 4.765 -9.559 1.00 1.92 H new ATOM 0 HG12 VAL A 62 4.307 3.866 -10.518 1.00 1.92 H new ATOM 0 HG13 VAL A 62 3.883 5.445 -9.814 1.00 1.92 H new ATOM 0 HG21 VAL A 62 5.354 4.911 -7.143 1.00 2.67 H new ATOM 0 HG22 VAL A 62 3.729 5.634 -7.221 1.00 2.67 H new ATOM 0 HG23 VAL A 62 4.005 4.168 -6.250 1.00 2.67 H new ATOM 894 N GLY A 63 1.391 3.643 -6.287 1.00 1.15 N ATOM 895 CA GLY A 63 1.102 3.302 -4.897 1.00 1.40 C ATOM 896 C GLY A 63 1.895 4.232 -3.986 1.00 0.93 C ATOM 897 O GLY A 63 2.088 5.404 -4.326 1.00 1.01 O ATOM 0 H GLY A 63 1.095 4.588 -6.530 1.00 1.15 H new ATOM 0 HA2 GLY A 63 0.035 3.400 -4.699 1.00 1.40 H new ATOM 0 HA3 GLY A 63 1.369 2.264 -4.700 1.00 1.40 H new ATOM 901 N ALA A 64 2.347 3.725 -2.835 1.00 1.04 N ATOM 902 CA ALA A 64 2.943 4.545 -1.783 1.00 1.26 C ATOM 903 C ALA A 64 3.975 3.805 -0.916 1.00 0.91 C ATOM 904 O ALA A 64 3.997 2.576 -0.849 1.00 1.06 O ATOM 905 CB ALA A 64 1.804 5.095 -0.917 1.00 2.18 C ATOM 0 H ALA A 64 2.308 2.731 -2.609 1.00 1.04 H new ATOM 0 HA ALA A 64 3.505 5.346 -2.262 1.00 1.26 H new ATOM 0 HB1 ALA A 64 2.218 5.713 -0.120 1.00 2.18 H new ATOM 0 HB2 ALA A 64 1.136 5.697 -1.533 1.00 2.18 H new ATOM 0 HB3 ALA A 64 1.246 4.267 -0.480 1.00 2.18 H new ATOM 911 N ALA A 65 4.810 4.590 -0.228 1.00 0.88 N ATOM 912 CA ALA A 65 5.817 4.150 0.739 1.00 0.90 C ATOM 913 C ALA A 65 5.742 4.997 2.032 1.00 0.87 C ATOM 914 O ALA A 65 4.830 5.815 2.194 1.00 0.83 O ATOM 915 CB ALA A 65 7.190 4.230 0.050 1.00 1.29 C ATOM 0 H ALA A 65 4.800 5.604 -0.338 1.00 0.88 H new ATOM 0 HA ALA A 65 5.638 3.121 1.051 1.00 0.90 H new ATOM 0 HB1 ALA A 65 7.965 3.908 0.745 1.00 1.29 H new ATOM 0 HB2 ALA A 65 7.196 3.581 -0.826 1.00 1.29 H new ATOM 0 HB3 ALA A 65 7.383 5.258 -0.258 1.00 1.29 H new ATOM 921 N THR A 66 6.695 4.822 2.961 1.00 1.04 N ATOM 922 CA THR A 66 6.730 5.555 4.238 1.00 1.11 C ATOM 923 C THR A 66 8.163 5.828 4.715 1.00 1.24 C ATOM 924 O THR A 66 8.982 4.908 4.704 1.00 1.33 O ATOM 925 CB THR A 66 5.914 4.825 5.316 1.00 1.19 C ATOM 926 OG1 THR A 66 5.904 5.645 6.461 1.00 1.50 O ATOM 927 CG2 THR A 66 6.461 3.441 5.694 1.00 1.42 C ATOM 0 H THR A 66 7.467 4.165 2.848 1.00 1.04 H new ATOM 0 HA THR A 66 6.267 6.526 4.060 1.00 1.11 H new ATOM 0 HB THR A 66 4.917 4.648 4.911 1.00 1.19 H new ATOM 0 HG1 THR A 66 5.123 6.236 6.433 1.00 1.50 H new ATOM 0 HG21 THR A 66 5.826 2.996 6.460 1.00 1.42 H new ATOM 0 HG22 THR A 66 6.469 2.800 4.812 1.00 1.42 H new ATOM 0 HG23 THR A 66 7.476 3.543 6.078 1.00 1.42 H new ATOM 935 N PRO A 67 8.473 7.057 5.180 1.00 1.36 N ATOM 936 CA PRO A 67 9.730 7.368 5.858 1.00 1.52 C ATOM 937 C PRO A 67 9.748 6.873 7.316 1.00 1.47 C ATOM 938 O PRO A 67 10.745 7.060 8.011 1.00 1.61 O ATOM 939 CB PRO A 67 9.861 8.893 5.761 1.00 1.77 C ATOM 940 CG PRO A 67 8.412 9.366 5.828 1.00 1.75 C ATOM 941 CD PRO A 67 7.645 8.260 5.102 1.00 1.50 C ATOM 0 HA PRO A 67 10.574 6.859 5.393 1.00 1.52 H new ATOM 0 HB2 PRO A 67 10.457 9.300 6.578 1.00 1.77 H new ATOM 0 HB3 PRO A 67 10.343 9.199 4.832 1.00 1.77 H new ATOM 0 HG2 PRO A 67 8.074 9.480 6.858 1.00 1.75 H new ATOM 0 HG3 PRO A 67 8.282 10.332 5.341 1.00 1.75 H new ATOM 0 HD2 PRO A 67 6.674 8.093 5.567 1.00 1.50 H new ATOM 0 HD3 PRO A 67 7.458 8.535 4.064 1.00 1.50 H new ATOM 949 N LEU A 68 8.677 6.229 7.811 1.00 1.33 N ATOM 950 CA LEU A 68 8.682 5.589 9.128 1.00 1.25 C ATOM 951 C LEU A 68 9.377 4.216 9.120 1.00 1.10 C ATOM 952 O LEU A 68 9.458 3.583 10.173 1.00 1.35 O ATOM 953 CB LEU A 68 7.257 5.542 9.726 1.00 1.42 C ATOM 954 CG LEU A 68 6.666 6.889 10.208 1.00 1.66 C ATOM 955 CD1 LEU A 68 7.659 7.713 11.045 1.00 2.61 C ATOM 956 CD2 LEU A 68 6.116 7.762 9.074 1.00 2.20 C ATOM 0 H LEU A 68 7.793 6.140 7.310 1.00 1.33 H new ATOM 0 HA LEU A 68 9.287 6.209 9.790 1.00 1.25 H new ATOM 0 HB2 LEU A 68 6.586 5.124 8.976 1.00 1.42 H new ATOM 0 HB3 LEU A 68 7.263 4.851 10.569 1.00 1.42 H new ATOM 0 HG LEU A 68 5.830 6.595 10.842 1.00 1.66 H new ATOM 0 HD11 LEU A 68 7.188 8.646 11.354 1.00 2.61 H new ATOM 0 HD12 LEU A 68 7.951 7.144 11.928 1.00 2.61 H new ATOM 0 HD13 LEU A 68 8.543 7.934 10.447 1.00 2.61 H new ATOM 0 HD21 LEU A 68 5.719 8.689 9.488 1.00 2.20 H new ATOM 0 HD22 LEU A 68 6.917 7.992 8.371 1.00 2.20 H new ATOM 0 HD23 LEU A 68 5.321 7.226 8.555 1.00 2.20 H new ATOM 968 N ALA A 69 9.934 3.793 7.980 1.00 1.08 N ATOM 969 CA ALA A 69 10.773 2.606 7.807 1.00 1.11 C ATOM 970 C ALA A 69 12.283 2.931 7.769 1.00 1.42 C ATOM 971 O ALA A 69 12.684 4.068 7.508 1.00 2.19 O ATOM 972 CB ALA A 69 10.357 1.967 6.472 1.00 1.53 C ATOM 0 H ALA A 69 9.803 4.300 7.105 1.00 1.08 H new ATOM 0 HA ALA A 69 10.626 1.941 8.658 1.00 1.11 H new ATOM 0 HB1 ALA A 69 10.955 1.073 6.294 1.00 1.53 H new ATOM 0 HB2 ALA A 69 9.302 1.695 6.512 1.00 1.53 H new ATOM 0 HB3 ALA A 69 10.518 2.679 5.662 1.00 1.53 H new ATOM 978 N THR A 70 13.112 1.891 7.924 1.00 1.06 N ATOM 979 CA THR A 70 14.483 1.829 7.393 1.00 1.09 C ATOM 980 C THR A 70 14.423 1.395 5.937 1.00 1.07 C ATOM 981 O THR A 70 15.092 2.000 5.106 1.00 1.26 O ATOM 982 CB THR A 70 15.351 0.870 8.224 1.00 1.17 C ATOM 983 OG1 THR A 70 15.502 1.431 9.507 1.00 1.62 O ATOM 984 CG2 THR A 70 16.754 0.686 7.629 1.00 1.48 C ATOM 0 H THR A 70 12.844 1.049 8.434 1.00 1.06 H new ATOM 0 HA THR A 70 14.945 2.814 7.457 1.00 1.09 H new ATOM 0 HB THR A 70 14.859 -0.102 8.243 1.00 1.17 H new ATOM 0 HG1 THR A 70 16.052 0.838 10.061 1.00 1.62 H new ATOM 0 HG21 THR A 70 17.327 -0.000 8.253 1.00 1.48 H new ATOM 0 HG22 THR A 70 16.671 0.278 6.622 1.00 1.48 H new ATOM 0 HG23 THR A 70 17.262 1.650 7.589 1.00 1.48 H new ATOM 992 N SER A 71 13.615 0.386 5.593 1.00 0.97 N ATOM 993 CA SER A 71 13.424 -0.044 4.197 1.00 1.01 C ATOM 994 C SER A 71 11.955 -0.358 3.849 1.00 0.88 C ATOM 995 O SER A 71 11.396 -1.339 4.351 1.00 0.89 O ATOM 996 CB SER A 71 14.297 -1.270 3.915 1.00 1.11 C ATOM 997 OG SER A 71 15.657 -0.873 3.819 1.00 1.93 O ATOM 0 H SER A 71 13.076 -0.156 6.269 1.00 0.97 H new ATOM 0 HA SER A 71 13.721 0.793 3.565 1.00 1.01 H new ATOM 0 HB2 SER A 71 14.177 -2.005 4.711 1.00 1.11 H new ATOM 0 HB3 SER A 71 13.981 -1.749 2.988 1.00 1.11 H new ATOM 0 HG SER A 71 16.215 -1.658 3.640 1.00 1.93 H new ATOM 1003 N PRO A 72 11.319 0.421 2.951 1.00 0.84 N ATOM 1004 CA PRO A 72 10.140 -0.050 2.243 1.00 0.81 C ATOM 1005 C PRO A 72 10.576 -1.124 1.239 1.00 0.92 C ATOM 1006 O PRO A 72 11.633 -1.012 0.611 1.00 1.29 O ATOM 1007 CB PRO A 72 9.540 1.187 1.570 1.00 0.92 C ATOM 1008 CG PRO A 72 10.762 2.064 1.299 1.00 0.97 C ATOM 1009 CD PRO A 72 11.719 1.733 2.447 1.00 0.94 C ATOM 0 HA PRO A 72 9.392 -0.509 2.889 1.00 0.81 H new ATOM 0 HB2 PRO A 72 9.016 0.930 0.649 1.00 0.92 H new ATOM 0 HB3 PRO A 72 8.820 1.688 2.217 1.00 0.92 H new ATOM 0 HG2 PRO A 72 11.208 1.838 0.330 1.00 0.97 H new ATOM 0 HG3 PRO A 72 10.500 3.122 1.291 1.00 0.97 H new ATOM 0 HD2 PRO A 72 12.752 1.717 2.099 1.00 0.94 H new ATOM 0 HD3 PRO A 72 11.658 2.486 3.233 1.00 0.94 H new ATOM 1017 N MET A 73 9.763 -2.174 1.100 1.00 0.84 N ATOM 1018 CA MET A 73 10.063 -3.362 0.298 1.00 0.93 C ATOM 1019 C MET A 73 8.834 -3.774 -0.533 1.00 1.05 C ATOM 1020 O MET A 73 7.824 -4.225 -0.001 1.00 1.19 O ATOM 1021 CB MET A 73 10.541 -4.469 1.253 1.00 0.97 C ATOM 1022 CG MET A 73 11.203 -5.632 0.510 1.00 1.16 C ATOM 1023 SD MET A 73 11.782 -6.976 1.584 1.00 2.33 S ATOM 1024 CE MET A 73 13.248 -6.203 2.315 1.00 3.49 C ATOM 0 H MET A 73 8.852 -2.222 1.556 1.00 0.84 H new ATOM 0 HA MET A 73 10.856 -3.160 -0.422 1.00 0.93 H new ATOM 0 HB2 MET A 73 11.248 -4.048 1.968 1.00 0.97 H new ATOM 0 HB3 MET A 73 9.692 -4.843 1.826 1.00 0.97 H new ATOM 0 HG2 MET A 73 10.493 -6.039 -0.210 1.00 1.16 H new ATOM 0 HG3 MET A 73 12.049 -5.248 -0.060 1.00 1.16 H new ATOM 0 HE1 MET A 73 13.762 -6.925 2.949 1.00 3.49 H new ATOM 0 HE2 MET A 73 13.919 -5.873 1.522 1.00 3.49 H new ATOM 0 HE3 MET A 73 12.946 -5.345 2.915 1.00 3.49 H new ATOM 1034 N LEU A 74 8.907 -3.568 -1.852 1.00 1.26 N ATOM 1035 CA LEU A 74 7.749 -3.428 -2.744 1.00 1.43 C ATOM 1036 C LEU A 74 7.490 -4.672 -3.618 1.00 1.34 C ATOM 1037 O LEU A 74 8.170 -4.896 -4.625 1.00 1.41 O ATOM 1038 CB LEU A 74 7.876 -2.108 -3.554 1.00 1.80 C ATOM 1039 CG LEU A 74 9.232 -1.531 -4.045 1.00 2.66 C ATOM 1040 CD1 LEU A 74 10.016 -0.800 -2.939 1.00 2.60 C ATOM 1041 CD2 LEU A 74 10.148 -2.534 -4.758 1.00 4.29 C ATOM 0 H LEU A 74 9.798 -3.492 -2.343 1.00 1.26 H new ATOM 0 HA LEU A 74 6.851 -3.361 -2.130 1.00 1.43 H new ATOM 0 HB2 LEU A 74 7.256 -2.232 -4.442 1.00 1.80 H new ATOM 0 HB3 LEU A 74 7.413 -1.330 -2.947 1.00 1.80 H new ATOM 0 HG LEU A 74 8.924 -0.804 -4.797 1.00 2.66 H new ATOM 0 HD11 LEU A 74 10.953 -0.421 -3.347 1.00 2.60 H new ATOM 0 HD12 LEU A 74 9.422 0.032 -2.561 1.00 2.60 H new ATOM 0 HD13 LEU A 74 10.229 -1.493 -2.125 1.00 2.60 H new ATOM 0 HD21 LEU A 74 11.068 -2.034 -5.062 1.00 4.29 H new ATOM 0 HD22 LEU A 74 10.387 -3.354 -4.081 1.00 4.29 H new ATOM 0 HD23 LEU A 74 9.641 -2.927 -5.639 1.00 4.29 H new ATOM 1053 N MET A 75 6.481 -5.478 -3.266 1.00 1.32 N ATOM 1054 CA MET A 75 6.251 -6.817 -3.841 1.00 1.43 C ATOM 1055 C MET A 75 4.817 -7.011 -4.346 1.00 1.48 C ATOM 1056 O MET A 75 3.859 -6.550 -3.722 1.00 1.69 O ATOM 1057 CB MET A 75 6.523 -7.908 -2.793 1.00 1.44 C ATOM 1058 CG MET A 75 7.910 -7.858 -2.152 1.00 2.35 C ATOM 1059 SD MET A 75 8.324 -9.430 -1.364 1.00 2.34 S ATOM 1060 CE MET A 75 9.717 -8.906 -0.338 1.00 3.76 C ATOM 0 H MET A 75 5.789 -5.218 -2.563 1.00 1.32 H new ATOM 0 HA MET A 75 6.936 -6.898 -4.685 1.00 1.43 H new ATOM 0 HB2 MET A 75 5.773 -7.830 -2.006 1.00 1.44 H new ATOM 0 HB3 MET A 75 6.392 -8.883 -3.263 1.00 1.44 H new ATOM 0 HG2 MET A 75 8.656 -7.621 -2.911 1.00 2.35 H new ATOM 0 HG3 MET A 75 7.943 -7.058 -1.412 1.00 2.35 H new ATOM 0 HE1 MET A 75 10.198 -9.782 0.097 1.00 3.76 H new ATOM 0 HE2 MET A 75 10.437 -8.364 -0.951 1.00 3.76 H new ATOM 0 HE3 MET A 75 9.357 -8.256 0.460 1.00 3.76 H new ATOM 1070 N THR A 76 4.659 -7.791 -5.425 1.00 1.58 N ATOM 1071 CA THR A 76 3.351 -8.153 -6.001 1.00 1.57 C ATOM 1072 C THR A 76 3.399 -9.556 -6.615 1.00 1.66 C ATOM 1073 O THR A 76 4.480 -10.135 -6.764 1.00 2.23 O ATOM 1074 CB THR A 76 2.857 -7.042 -6.943 1.00 2.09 C ATOM 1075 OG1 THR A 76 1.854 -7.510 -7.793 1.00 2.59 O ATOM 1076 CG2 THR A 76 3.961 -6.507 -7.840 1.00 3.02 C ATOM 0 H THR A 76 5.447 -8.195 -5.931 1.00 1.58 H new ATOM 0 HA THR A 76 2.598 -8.219 -5.216 1.00 1.57 H new ATOM 0 HB THR A 76 2.489 -6.253 -6.287 1.00 2.09 H new ATOM 0 HG1 THR A 76 1.004 -7.080 -7.564 1.00 2.59 H new ATOM 0 HG21 THR A 76 3.559 -5.725 -8.485 1.00 3.02 H new ATOM 0 HG22 THR A 76 4.761 -6.095 -7.226 1.00 3.02 H new ATOM 0 HG23 THR A 76 4.355 -7.317 -8.454 1.00 3.02 H new ATOM 1084 N THR A 77 2.234 -10.159 -6.847 1.00 1.45 N ATOM 1085 CA THR A 77 2.059 -11.586 -7.149 1.00 1.63 C ATOM 1086 C THR A 77 0.903 -11.710 -8.137 1.00 1.66 C ATOM 1087 O THR A 77 0.902 -11.046 -9.169 1.00 2.77 O ATOM 1088 CB THR A 77 1.906 -12.429 -5.866 1.00 1.80 C ATOM 1089 OG1 THR A 77 2.658 -11.882 -4.807 1.00 2.26 O ATOM 1090 CG2 THR A 77 2.442 -13.844 -6.085 1.00 2.73 C ATOM 0 H THR A 77 1.350 -9.651 -6.830 1.00 1.45 H new ATOM 0 HA THR A 77 2.950 -12.001 -7.620 1.00 1.63 H new ATOM 0 HB THR A 77 0.843 -12.439 -5.624 1.00 1.80 H new ATOM 0 HG1 THR A 77 2.543 -12.434 -4.005 1.00 2.26 H new ATOM 0 HG21 THR A 77 2.325 -14.423 -5.169 1.00 2.73 H new ATOM 0 HG22 THR A 77 1.886 -14.323 -6.891 1.00 2.73 H new ATOM 0 HG23 THR A 77 3.498 -13.796 -6.352 1.00 2.73 H new ATOM 1098 N THR A 78 -0.089 -12.556 -7.872 1.00 1.84 N ATOM 1099 CA THR A 78 -1.338 -12.661 -8.620 1.00 1.78 C ATOM 1100 C THR A 78 -2.536 -12.484 -7.692 1.00 2.79 C ATOM 1101 O THR A 78 -2.510 -12.948 -6.559 1.00 4.50 O ATOM 1102 CB THR A 78 -1.396 -13.967 -9.422 1.00 3.26 C ATOM 1103 OG1 THR A 78 -1.479 -15.121 -8.623 1.00 4.16 O ATOM 1104 CG2 THR A 78 -0.192 -14.141 -10.355 1.00 4.61 C ATOM 0 H THR A 78 -0.042 -13.216 -7.096 1.00 1.84 H new ATOM 0 HA THR A 78 -1.378 -11.852 -9.349 1.00 1.78 H new ATOM 0 HB THR A 78 -2.314 -13.868 -10.002 1.00 3.26 H new ATOM 0 HG1 THR A 78 -1.514 -15.914 -9.197 1.00 4.16 H new ATOM 0 HG21 THR A 78 -0.285 -15.082 -10.898 1.00 4.61 H new ATOM 0 HG22 THR A 78 -0.159 -13.314 -11.065 1.00 4.61 H new ATOM 0 HG23 THR A 78 0.726 -14.151 -9.767 1.00 4.61 H new ATOM 1112 N HIS A 79 -3.540 -11.773 -8.207 1.00 2.54 N ATOM 1113 CA HIS A 79 -4.847 -11.430 -7.620 1.00 4.04 C ATOM 1114 C HIS A 79 -4.951 -9.956 -7.162 1.00 4.61 C ATOM 1115 O HIS A 79 -5.106 -9.657 -5.982 1.00 6.06 O ATOM 1116 CB HIS A 79 -5.366 -12.404 -6.533 1.00 5.40 C ATOM 1117 CG HIS A 79 -5.537 -13.858 -6.912 1.00 5.31 C ATOM 1118 ND1 HIS A 79 -5.637 -14.904 -6.021 1.00 6.33 N ATOM 1119 CD2 HIS A 79 -5.694 -14.392 -8.164 1.00 4.95 C ATOM 1120 CE1 HIS A 79 -5.834 -16.033 -6.721 1.00 6.44 C ATOM 1121 NE2 HIS A 79 -5.892 -15.775 -8.039 1.00 5.71 N ATOM 0 H HIS A 79 -3.454 -11.379 -9.144 1.00 2.54 H new ATOM 0 HA HIS A 79 -5.528 -11.558 -8.462 1.00 4.04 H new ATOM 0 HB2 HIS A 79 -4.681 -12.357 -5.687 1.00 5.40 H new ATOM 0 HB3 HIS A 79 -6.330 -12.033 -6.184 1.00 5.40 H new ATOM 0 HD2 HIS A 79 -5.669 -13.840 -9.092 1.00 4.95 H new ATOM 0 HE1 HIS A 79 -5.933 -17.016 -6.284 1.00 6.44 H new ATOM 0 HE2 HIS A 79 -6.048 -16.446 -8.792 1.00 5.71 H new ATOM 1129 N SER A 80 -4.957 -9.034 -8.125 1.00 3.88 N ATOM 1130 CA SER A 80 -5.766 -7.815 -8.055 1.00 4.46 C ATOM 1131 C SER A 80 -7.203 -8.119 -8.571 1.00 4.41 C ATOM 1132 O SER A 80 -7.528 -9.271 -8.873 1.00 4.67 O ATOM 1133 CB SER A 80 -5.089 -6.719 -8.900 1.00 4.30 C ATOM 1134 OG SER A 80 -5.004 -5.497 -8.202 1.00 5.81 O ATOM 0 H SER A 80 -4.401 -9.111 -8.977 1.00 3.88 H new ATOM 0 HA SER A 80 -5.842 -7.464 -7.026 1.00 4.46 H new ATOM 0 HB2 SER A 80 -4.089 -7.045 -9.184 1.00 4.30 H new ATOM 0 HB3 SER A 80 -5.651 -6.572 -9.822 1.00 4.30 H new ATOM 0 HG SER A 80 -4.106 -5.399 -7.821 1.00 5.81 H new ATOM 1140 N GLY A 81 -8.072 -7.119 -8.788 1.00 4.58 N ATOM 1141 CA GLY A 81 -9.510 -7.310 -9.114 1.00 5.07 C ATOM 1142 C GLY A 81 -9.834 -7.739 -10.555 1.00 4.86 C ATOM 1143 O GLY A 81 -10.901 -7.411 -11.077 1.00 5.38 O ATOM 0 H GLY A 81 -7.800 -6.137 -8.743 1.00 4.58 H new ATOM 0 HA2 GLY A 81 -9.918 -8.059 -8.435 1.00 5.07 H new ATOM 0 HA3 GLY A 81 -10.033 -6.376 -8.910 1.00 5.07 H new ATOM 1147 N GLY A 82 -8.917 -8.459 -11.202 1.00 4.59 N ATOM 1148 CA GLY A 82 -8.926 -8.805 -12.636 1.00 4.70 C ATOM 1149 C GLY A 82 -7.592 -8.524 -13.343 1.00 4.20 C ATOM 1150 O GLY A 82 -7.411 -8.944 -14.490 1.00 4.53 O ATOM 0 H GLY A 82 -8.102 -8.840 -10.720 1.00 4.59 H new ATOM 0 HA2 GLY A 82 -9.170 -9.862 -12.745 1.00 4.70 H new ATOM 0 HA3 GLY A 82 -9.717 -8.242 -13.132 1.00 4.70 H new ATOM 1154 N MET A 83 -6.654 -7.870 -12.646 1.00 3.65 N ATOM 1155 CA MET A 83 -5.235 -7.789 -12.995 1.00 3.24 C ATOM 1156 C MET A 83 -4.393 -8.692 -12.067 1.00 3.02 C ATOM 1157 O MET A 83 -4.828 -9.046 -10.970 1.00 3.19 O ATOM 1158 CB MET A 83 -4.785 -6.319 -12.941 1.00 2.97 C ATOM 1159 CG MET A 83 -3.573 -6.012 -13.831 1.00 2.97 C ATOM 1160 SD MET A 83 -3.862 -6.165 -15.619 1.00 4.05 S ATOM 1161 CE MET A 83 -3.168 -7.806 -15.967 1.00 5.43 C ATOM 0 H MET A 83 -6.875 -7.363 -11.789 1.00 3.65 H new ATOM 0 HA MET A 83 -5.082 -8.155 -14.010 1.00 3.24 H new ATOM 0 HB2 MET A 83 -5.617 -5.682 -13.243 1.00 2.97 H new ATOM 0 HB3 MET A 83 -4.543 -6.060 -11.910 1.00 2.97 H new ATOM 0 HG2 MET A 83 -3.236 -4.997 -13.620 1.00 2.97 H new ATOM 0 HG3 MET A 83 -2.760 -6.682 -13.553 1.00 2.97 H new ATOM 0 HE1 MET A 83 -2.786 -7.831 -16.988 1.00 5.43 H new ATOM 0 HE2 MET A 83 -2.356 -8.013 -15.270 1.00 5.43 H new ATOM 0 HE3 MET A 83 -3.945 -8.562 -15.852 1.00 5.43 H new ATOM 1171 N ALA A 84 -3.190 -9.060 -12.498 1.00 2.83 N ATOM 1172 CA ALA A 84 -2.274 -9.962 -11.799 1.00 2.68 C ATOM 1173 C ALA A 84 -0.876 -9.888 -12.431 1.00 2.40 C ATOM 1174 O ALA A 84 -0.707 -9.259 -13.484 1.00 2.78 O ATOM 1175 CB ALA A 84 -2.857 -11.387 -11.881 1.00 3.28 C ATOM 0 H ALA A 84 -2.808 -8.724 -13.382 1.00 2.83 H new ATOM 0 HA ALA A 84 -2.170 -9.674 -10.753 1.00 2.68 H new ATOM 0 HB1 ALA A 84 -2.193 -12.082 -11.367 1.00 3.28 H new ATOM 0 HB2 ALA A 84 -3.839 -11.406 -11.408 1.00 3.28 H new ATOM 0 HB3 ALA A 84 -2.952 -11.682 -12.926 1.00 3.28 H new ATOM 1181 N GLY A 85 0.099 -10.578 -11.830 1.00 2.04 N ATOM 1182 CA GLY A 85 1.412 -10.807 -12.463 1.00 2.24 C ATOM 1183 C GLY A 85 2.601 -10.460 -11.570 1.00 1.75 C ATOM 1184 O GLY A 85 2.889 -9.287 -11.335 1.00 2.68 O ATOM 0 H GLY A 85 0.007 -10.991 -10.902 1.00 2.04 H new ATOM 0 HA2 GLY A 85 1.485 -11.854 -12.757 1.00 2.24 H new ATOM 0 HA3 GLY A 85 1.472 -10.215 -13.376 1.00 2.24 H new ATOM 1188 N MET A 86 3.303 -11.506 -11.121 1.00 2.03 N ATOM 1189 CA MET A 86 4.394 -11.430 -10.145 1.00 1.73 C ATOM 1190 C MET A 86 5.584 -10.622 -10.676 1.00 1.96 C ATOM 1191 O MET A 86 5.966 -10.744 -11.843 1.00 2.98 O ATOM 1192 CB MET A 86 4.786 -12.863 -9.737 1.00 2.78 C ATOM 1193 CG MET A 86 5.866 -12.957 -8.651 1.00 3.70 C ATOM 1194 SD MET A 86 7.575 -12.804 -9.244 1.00 4.22 S ATOM 1195 CE MET A 86 8.442 -13.393 -7.771 1.00 5.66 C ATOM 0 H MET A 86 3.121 -12.459 -11.437 1.00 2.03 H new ATOM 0 HA MET A 86 4.055 -10.891 -9.260 1.00 1.73 H new ATOM 0 HB2 MET A 86 3.894 -13.381 -9.386 1.00 2.78 H new ATOM 0 HB3 MET A 86 5.136 -13.394 -10.623 1.00 2.78 H new ATOM 0 HG2 MET A 86 5.684 -12.177 -7.912 1.00 3.70 H new ATOM 0 HG3 MET A 86 5.761 -13.913 -8.138 1.00 3.70 H new ATOM 0 HE1 MET A 86 9.517 -13.370 -7.948 1.00 5.66 H new ATOM 0 HE2 MET A 86 8.200 -12.750 -6.925 1.00 5.66 H new ATOM 0 HE3 MET A 86 8.132 -14.414 -7.551 1.00 5.66 H new ATOM 1205 N LYS A 87 6.146 -9.800 -9.784 1.00 1.84 N ATOM 1206 CA LYS A 87 7.208 -8.813 -10.009 1.00 2.76 C ATOM 1207 C LYS A 87 7.597 -8.124 -8.681 1.00 1.42 C ATOM 1208 O LYS A 87 6.893 -8.221 -7.672 1.00 1.80 O ATOM 1209 CB LYS A 87 6.784 -7.779 -11.087 1.00 4.79 C ATOM 1210 CG LYS A 87 5.523 -7.005 -10.669 1.00 5.90 C ATOM 1211 CD LYS A 87 4.860 -6.126 -11.727 1.00 7.91 C ATOM 1212 CE LYS A 87 5.717 -4.907 -12.072 1.00 9.26 C ATOM 1213 NZ LYS A 87 4.925 -3.897 -12.812 1.00 11.37 N ATOM 0 H LYS A 87 5.847 -9.808 -8.809 1.00 1.84 H new ATOM 0 HA LYS A 87 8.089 -9.332 -10.385 1.00 2.76 H new ATOM 0 HB2 LYS A 87 7.601 -7.078 -11.260 1.00 4.79 H new ATOM 0 HB3 LYS A 87 6.600 -8.292 -12.031 1.00 4.79 H new ATOM 0 HG2 LYS A 87 4.785 -7.726 -10.318 1.00 5.90 H new ATOM 0 HG3 LYS A 87 5.781 -6.374 -9.819 1.00 5.90 H new ATOM 0 HD2 LYS A 87 4.683 -6.713 -12.628 1.00 7.91 H new ATOM 0 HD3 LYS A 87 3.886 -5.795 -11.366 1.00 7.91 H new ATOM 0 HE2 LYS A 87 6.114 -4.466 -11.158 1.00 9.26 H new ATOM 0 HE3 LYS A 87 6.572 -5.217 -12.673 1.00 9.26 H new ATOM 0 HZ1 LYS A 87 5.527 -3.079 -13.035 1.00 11.37 H new ATOM 0 HZ2 LYS A 87 4.567 -4.315 -13.695 1.00 11.37 H new ATOM 0 HZ3 LYS A 87 4.124 -3.587 -12.226 1.00 11.37 H new ATOM 1227 N MET A 88 8.682 -7.348 -8.680 1.00 2.10 N ATOM 1228 CA MET A 88 8.863 -6.254 -7.714 1.00 1.85 C ATOM 1229 C MET A 88 8.192 -4.977 -8.235 1.00 1.84 C ATOM 1230 O MET A 88 8.055 -4.810 -9.447 1.00 2.77 O ATOM 1231 CB MET A 88 10.343 -6.032 -7.366 1.00 3.07 C ATOM 1232 CG MET A 88 11.231 -5.596 -8.537 1.00 3.29 C ATOM 1233 SD MET A 88 12.846 -5.010 -7.958 1.00 4.82 S ATOM 1234 CE MET A 88 13.621 -4.617 -9.543 1.00 5.08 C ATOM 0 H MET A 88 9.454 -7.455 -9.339 1.00 2.10 H new ATOM 0 HA MET A 88 8.375 -6.536 -6.781 1.00 1.85 H new ATOM 0 HB2 MET A 88 10.406 -5.277 -6.582 1.00 3.07 H new ATOM 0 HB3 MET A 88 10.745 -6.956 -6.951 1.00 3.07 H new ATOM 0 HG2 MET A 88 11.370 -6.433 -9.222 1.00 3.29 H new ATOM 0 HG3 MET A 88 10.734 -4.804 -9.098 1.00 3.29 H new ATOM 0 HE1 MET A 88 14.629 -4.240 -9.371 1.00 5.08 H new ATOM 0 HE2 MET A 88 13.670 -5.516 -10.157 1.00 5.08 H new ATOM 0 HE3 MET A 88 13.032 -3.858 -10.058 1.00 5.08 H new ATOM 1244 N VAL A 89 7.781 -4.098 -7.317 1.00 1.58 N ATOM 1245 CA VAL A 89 7.057 -2.834 -7.556 1.00 1.45 C ATOM 1246 C VAL A 89 5.574 -3.116 -7.901 1.00 1.39 C ATOM 1247 O VAL A 89 5.299 -3.572 -9.016 1.00 1.72 O ATOM 1248 CB VAL A 89 7.708 -1.916 -8.633 1.00 1.67 C ATOM 1249 CG1 VAL A 89 7.021 -0.540 -8.667 1.00 2.13 C ATOM 1250 CG2 VAL A 89 9.206 -1.676 -8.355 1.00 2.88 C ATOM 0 H VAL A 89 7.953 -4.254 -6.324 1.00 1.58 H new ATOM 0 HA VAL A 89 7.118 -2.276 -6.622 1.00 1.45 H new ATOM 0 HB VAL A 89 7.588 -2.433 -9.585 1.00 1.67 H new ATOM 0 HG11 VAL A 89 7.493 0.084 -9.427 1.00 2.13 H new ATOM 0 HG12 VAL A 89 5.965 -0.666 -8.906 1.00 2.13 H new ATOM 0 HG13 VAL A 89 7.118 -0.061 -7.693 1.00 2.13 H new ATOM 0 HG21 VAL A 89 9.621 -1.031 -9.130 1.00 2.88 H new ATOM 0 HG22 VAL A 89 9.324 -1.197 -7.383 1.00 2.88 H new ATOM 0 HG23 VAL A 89 9.734 -2.630 -8.356 1.00 2.88 H new ATOM 1260 N PRO A 90 4.621 -2.870 -6.976 1.00 1.31 N ATOM 1261 CA PRO A 90 3.191 -2.975 -7.249 1.00 1.44 C ATOM 1262 C PRO A 90 2.711 -1.755 -8.048 1.00 1.43 C ATOM 1263 O PRO A 90 3.492 -0.885 -8.434 1.00 2.54 O ATOM 1264 CB PRO A 90 2.531 -3.074 -5.866 1.00 1.77 C ATOM 1265 CG PRO A 90 3.418 -2.162 -5.027 1.00 1.64 C ATOM 1266 CD PRO A 90 4.810 -2.429 -5.598 1.00 1.38 C ATOM 0 HA PRO A 90 2.935 -3.840 -7.861 1.00 1.44 H new ATOM 0 HB2 PRO A 90 1.496 -2.734 -5.883 1.00 1.77 H new ATOM 0 HB3 PRO A 90 2.525 -4.097 -5.489 1.00 1.77 H new ATOM 0 HG2 PRO A 90 3.133 -1.115 -5.128 1.00 1.64 H new ATOM 0 HG3 PRO A 90 3.362 -2.406 -3.966 1.00 1.64 H new ATOM 0 HD2 PRO A 90 5.423 -1.528 -5.561 1.00 1.38 H new ATOM 0 HD3 PRO A 90 5.328 -3.191 -5.015 1.00 1.38 H new ATOM 1274 N TRP A 91 1.403 -1.686 -8.289 1.00 1.23 N ATOM 1275 CA TRP A 91 0.740 -0.585 -8.992 1.00 1.33 C ATOM 1276 C TRP A 91 -0.374 0.052 -8.140 1.00 1.91 C ATOM 1277 O TRP A 91 -0.905 -0.563 -7.217 1.00 2.51 O ATOM 1278 CB TRP A 91 0.209 -1.133 -10.336 1.00 1.62 C ATOM 1279 CG TRP A 91 -0.473 -2.474 -10.282 1.00 1.87 C ATOM 1280 CD1 TRP A 91 -1.516 -2.778 -9.478 1.00 1.76 C ATOM 1281 CD2 TRP A 91 -0.092 -3.738 -10.920 1.00 2.64 C ATOM 1282 NE1 TRP A 91 -1.772 -4.132 -9.530 1.00 2.15 N ATOM 1283 CE2 TRP A 91 -0.931 -4.771 -10.405 1.00 2.76 C ATOM 1284 CE3 TRP A 91 0.912 -4.132 -11.834 1.00 3.44 C ATOM 1285 CZ2 TRP A 91 -0.773 -6.124 -10.736 1.00 3.57 C ATOM 1286 CZ3 TRP A 91 1.079 -5.488 -12.186 1.00 4.29 C ATOM 1287 CH2 TRP A 91 0.253 -6.484 -11.627 1.00 4.34 C ATOM 0 H TRP A 91 0.755 -2.415 -7.992 1.00 1.23 H new ATOM 0 HA TRP A 91 1.452 0.218 -9.181 1.00 1.33 H new ATOM 0 HB2 TRP A 91 -0.492 -0.408 -10.749 1.00 1.62 H new ATOM 0 HB3 TRP A 91 1.044 -1.201 -11.033 1.00 1.62 H new ATOM 0 HD1 TRP A 91 -2.068 -2.066 -8.883 1.00 1.76 H new ATOM 0 HE1 TRP A 91 -2.497 -4.600 -8.986 1.00 2.15 H new ATOM 0 HE3 TRP A 91 1.560 -3.385 -12.269 1.00 3.44 H new ATOM 0 HZ2 TRP A 91 -1.426 -6.874 -10.315 1.00 3.57 H new ATOM 0 HZ3 TRP A 91 1.848 -5.766 -12.891 1.00 4.29 H new ATOM 0 HH2 TRP A 91 0.408 -7.522 -11.883 1.00 4.34 H new ATOM 1298 N LEU A 92 -0.794 1.268 -8.510 1.00 2.19 N ATOM 1299 CA LEU A 92 -2.048 1.905 -8.090 1.00 2.99 C ATOM 1300 C LEU A 92 -2.641 2.677 -9.288 1.00 2.46 C ATOM 1301 O LEU A 92 -3.128 3.797 -9.171 1.00 3.16 O ATOM 1302 CB LEU A 92 -1.794 2.753 -6.829 1.00 4.45 C ATOM 1303 CG LEU A 92 -3.068 3.291 -6.141 1.00 5.42 C ATOM 1304 CD1 LEU A 92 -3.823 2.171 -5.411 1.00 6.67 C ATOM 1305 CD2 LEU A 92 -2.710 4.416 -5.160 1.00 6.73 C ATOM 0 H LEU A 92 -0.247 1.859 -9.136 1.00 2.19 H new ATOM 0 HA LEU A 92 -2.802 1.173 -7.801 1.00 2.99 H new ATOM 0 HB2 LEU A 92 -1.237 2.152 -6.111 1.00 4.45 H new ATOM 0 HB3 LEU A 92 -1.160 3.597 -7.098 1.00 4.45 H new ATOM 0 HG LEU A 92 -3.723 3.690 -6.915 1.00 5.42 H new ATOM 0 HD11 LEU A 92 -4.714 2.582 -4.937 1.00 6.67 H new ATOM 0 HD12 LEU A 92 -4.114 1.402 -6.127 1.00 6.67 H new ATOM 0 HD13 LEU A 92 -3.177 1.733 -4.650 1.00 6.67 H new ATOM 0 HD21 LEU A 92 -3.618 4.785 -4.683 1.00 6.73 H new ATOM 0 HD22 LEU A 92 -2.030 4.033 -4.399 1.00 6.73 H new ATOM 0 HD23 LEU A 92 -2.227 5.230 -5.701 1.00 6.73 H new ATOM 1317 N THR A 93 -2.531 2.080 -10.478 1.00 1.93 N ATOM 1318 CA THR A 93 -3.096 2.591 -11.725 1.00 2.13 C ATOM 1319 C THR A 93 -4.409 1.854 -11.935 1.00 1.80 C ATOM 1320 O THR A 93 -4.404 0.636 -12.077 1.00 2.11 O ATOM 1321 CB THR A 93 -2.104 2.385 -12.874 1.00 3.20 C ATOM 1322 OG1 THR A 93 -1.007 3.239 -12.640 1.00 3.94 O ATOM 1323 CG2 THR A 93 -2.676 2.750 -14.245 1.00 3.99 C ATOM 0 H THR A 93 -2.030 1.200 -10.601 1.00 1.93 H new ATOM 0 HA THR A 93 -3.285 3.664 -11.686 1.00 2.13 H new ATOM 0 HB THR A 93 -1.841 1.327 -12.895 1.00 3.20 H new ATOM 0 HG1 THR A 93 -0.654 3.079 -11.740 1.00 3.94 H new ATOM 0 HG21 THR A 93 -1.920 2.580 -15.012 1.00 3.99 H new ATOM 0 HG22 THR A 93 -3.549 2.130 -14.452 1.00 3.99 H new ATOM 0 HG23 THR A 93 -2.968 3.800 -14.250 1.00 3.99 H new ATOM 1331 N ILE A 94 -5.541 2.552 -11.866 1.00 1.71 N ATOM 1332 CA ILE A 94 -6.857 1.896 -11.742 1.00 1.70 C ATOM 1333 C ILE A 94 -7.585 1.777 -13.096 1.00 1.50 C ATOM 1334 O ILE A 94 -7.725 2.795 -13.786 1.00 1.76 O ATOM 1335 CB ILE A 94 -7.745 2.531 -10.644 1.00 2.34 C ATOM 1336 CG1 ILE A 94 -8.387 3.874 -11.039 1.00 3.58 C ATOM 1337 CG2 ILE A 94 -6.962 2.653 -9.327 1.00 3.45 C ATOM 1338 CD1 ILE A 94 -9.100 4.633 -9.915 1.00 4.89 C ATOM 0 H ILE A 94 -5.582 3.571 -11.893 1.00 1.71 H new ATOM 0 HA ILE A 94 -6.655 0.877 -11.411 1.00 1.70 H new ATOM 0 HB ILE A 94 -8.584 1.849 -10.507 1.00 2.34 H new ATOM 0 HG12 ILE A 94 -7.610 4.519 -11.450 1.00 3.58 H new ATOM 0 HG13 ILE A 94 -9.105 3.690 -11.839 1.00 3.58 H new ATOM 0 HG21 ILE A 94 -7.600 3.101 -8.565 1.00 3.45 H new ATOM 0 HG22 ILE A 94 -6.645 1.663 -8.999 1.00 3.45 H new ATOM 0 HG23 ILE A 94 -6.085 3.282 -9.482 1.00 3.45 H new ATOM 0 HD11 ILE A 94 -9.513 5.562 -10.308 1.00 4.89 H new ATOM 0 HD12 ILE A 94 -9.906 4.018 -9.515 1.00 4.89 H new ATOM 0 HD13 ILE A 94 -8.389 4.860 -9.121 1.00 4.89 H new ATOM 1350 N PRO A 95 -8.066 0.569 -13.470 1.00 1.70 N ATOM 1351 CA PRO A 95 -8.964 0.357 -14.598 1.00 2.06 C ATOM 1352 C PRO A 95 -10.442 0.290 -14.161 1.00 2.00 C ATOM 1353 O PRO A 95 -10.771 -0.035 -13.014 1.00 2.71 O ATOM 1354 CB PRO A 95 -8.513 -0.982 -15.190 1.00 2.61 C ATOM 1355 CG PRO A 95 -8.137 -1.780 -13.944 1.00 2.63 C ATOM 1356 CD PRO A 95 -7.570 -0.720 -12.999 1.00 2.10 C ATOM 0 HA PRO A 95 -8.913 1.179 -15.312 1.00 2.06 H new ATOM 0 HB2 PRO A 95 -9.309 -1.465 -15.757 1.00 2.61 H new ATOM 0 HB3 PRO A 95 -7.667 -0.863 -15.867 1.00 2.61 H new ATOM 0 HG2 PRO A 95 -9.003 -2.281 -13.512 1.00 2.63 H new ATOM 0 HG3 PRO A 95 -7.401 -2.552 -14.169 1.00 2.63 H new ATOM 0 HD2 PRO A 95 -7.888 -0.906 -11.973 1.00 2.10 H new ATOM 0 HD3 PRO A 95 -6.480 -0.741 -13.003 1.00 2.10 H new ATOM 1364 N ALA A 96 -11.350 0.531 -15.116 1.00 2.08 N ATOM 1365 CA ALA A 96 -12.780 0.271 -14.970 1.00 2.37 C ATOM 1366 C ALA A 96 -13.057 -1.242 -14.843 1.00 2.30 C ATOM 1367 O ALA A 96 -12.469 -2.036 -15.578 1.00 3.10 O ATOM 1368 CB ALA A 96 -13.507 0.906 -16.161 1.00 2.92 C ATOM 0 H ALA A 96 -11.102 0.919 -16.026 1.00 2.08 H new ATOM 0 HA ALA A 96 -13.156 0.720 -14.051 1.00 2.37 H new ATOM 0 HB1 ALA A 96 -14.578 0.724 -16.073 1.00 2.92 H new ATOM 0 HB2 ALA A 96 -13.321 1.980 -16.170 1.00 2.92 H new ATOM 0 HB3 ALA A 96 -13.140 0.466 -17.088 1.00 2.92 H new ATOM 1374 N ARG A 97 -13.902 -1.622 -13.869 1.00 2.42 N ATOM 1375 CA ARG A 97 -14.321 -3.002 -13.545 1.00 2.37 C ATOM 1376 C ARG A 97 -13.191 -3.857 -12.931 1.00 2.15 C ATOM 1377 O ARG A 97 -13.448 -4.644 -12.025 1.00 2.65 O ATOM 1378 CB ARG A 97 -14.953 -3.664 -14.795 1.00 2.43 C ATOM 1379 CG ARG A 97 -16.061 -4.687 -14.480 1.00 3.12 C ATOM 1380 CD ARG A 97 -15.596 -6.106 -14.143 1.00 4.14 C ATOM 1381 NE ARG A 97 -16.736 -6.928 -13.670 1.00 4.94 N ATOM 1382 CZ ARG A 97 -16.731 -7.766 -12.637 1.00 6.28 C ATOM 1383 NH1 ARG A 97 -15.645 -7.976 -11.914 1.00 7.34 N ATOM 1384 NH2 ARG A 97 -17.842 -8.390 -12.299 1.00 7.04 N ATOM 0 H ARG A 97 -14.337 -0.938 -13.250 1.00 2.42 H new ATOM 0 HA ARG A 97 -15.077 -2.943 -12.762 1.00 2.37 H new ATOM 0 HB2 ARG A 97 -15.366 -2.884 -15.435 1.00 2.43 H new ATOM 0 HB3 ARG A 97 -14.168 -4.161 -15.365 1.00 2.43 H new ATOM 0 HG2 ARG A 97 -16.646 -4.310 -13.641 1.00 3.12 H new ATOM 0 HG3 ARG A 97 -16.731 -4.741 -15.338 1.00 3.12 H new ATOM 0 HD2 ARG A 97 -15.148 -6.567 -15.023 1.00 4.14 H new ATOM 0 HD3 ARG A 97 -14.823 -6.069 -13.375 1.00 4.14 H new ATOM 0 HE ARG A 97 -17.610 -6.842 -14.188 1.00 4.94 H new ATOM 0 HH11 ARG A 97 -14.778 -7.489 -12.142 1.00 7.34 H new ATOM 0 HH12 ARG A 97 -15.673 -8.625 -11.128 1.00 7.34 H new ATOM 0 HH21 ARG A 97 -18.699 -8.229 -12.829 1.00 7.04 H new ATOM 0 HH22 ARG A 97 -17.845 -9.034 -11.508 1.00 7.04 H new ATOM 1398 N GLY A 98 -11.933 -3.673 -13.349 1.00 1.80 N ATOM 1399 CA GLY A 98 -10.750 -4.417 -12.884 1.00 1.61 C ATOM 1400 C GLY A 98 -10.176 -3.963 -11.535 1.00 1.53 C ATOM 1401 O GLY A 98 -9.140 -4.489 -11.135 1.00 2.75 O ATOM 0 H GLY A 98 -11.699 -2.971 -14.051 1.00 1.80 H new ATOM 0 HA2 GLY A 98 -11.011 -5.473 -12.812 1.00 1.61 H new ATOM 0 HA3 GLY A 98 -9.969 -4.333 -13.639 1.00 1.61 H new ATOM 1405 N THR A 99 -10.855 -3.025 -10.854 1.00 1.79 N ATOM 1406 CA THR A 99 -10.869 -2.790 -9.394 1.00 2.04 C ATOM 1407 C THR A 99 -9.529 -3.059 -8.707 1.00 1.93 C ATOM 1408 O THR A 99 -9.238 -4.163 -8.240 1.00 2.23 O ATOM 1409 CB THR A 99 -12.013 -3.598 -8.774 1.00 2.56 C ATOM 1410 OG1 THR A 99 -13.164 -3.370 -9.566 1.00 3.55 O ATOM 1411 CG2 THR A 99 -12.311 -3.153 -7.343 1.00 3.20 C ATOM 0 H THR A 99 -11.454 -2.360 -11.343 1.00 1.79 H new ATOM 0 HA THR A 99 -11.040 -1.726 -9.229 1.00 2.04 H new ATOM 0 HB THR A 99 -11.732 -4.651 -8.744 1.00 2.56 H new ATOM 0 HG1 THR A 99 -13.123 -3.928 -10.370 1.00 3.55 H new ATOM 0 HG21 THR A 99 -13.128 -3.750 -6.939 1.00 3.20 H new ATOM 0 HG22 THR A 99 -11.422 -3.290 -6.727 1.00 3.20 H new ATOM 0 HG23 THR A 99 -12.595 -2.101 -7.341 1.00 3.20 H new ATOM 1419 N LEU A 100 -8.686 -2.033 -8.698 1.00 1.76 N ATOM 1420 CA LEU A 100 -7.301 -2.137 -8.263 1.00 1.70 C ATOM 1421 C LEU A 100 -7.220 -2.480 -6.759 1.00 1.53 C ATOM 1422 O LEU A 100 -7.744 -1.742 -5.927 1.00 1.51 O ATOM 1423 CB LEU A 100 -6.623 -0.815 -8.650 1.00 1.99 C ATOM 1424 CG LEU A 100 -5.105 -0.882 -8.862 1.00 2.46 C ATOM 1425 CD1 LEU A 100 -4.384 -1.284 -7.580 1.00 3.10 C ATOM 1426 CD2 LEU A 100 -4.731 -1.801 -10.034 1.00 3.92 C ATOM 0 H LEU A 100 -8.950 -1.094 -8.997 1.00 1.76 H new ATOM 0 HA LEU A 100 -6.773 -2.957 -8.751 1.00 1.70 H new ATOM 0 HB2 LEU A 100 -7.083 -0.447 -9.567 1.00 1.99 H new ATOM 0 HB3 LEU A 100 -6.830 -0.080 -7.872 1.00 1.99 H new ATOM 0 HG LEU A 100 -4.770 0.121 -9.126 1.00 2.46 H new ATOM 0 HD11 LEU A 100 -3.310 -1.323 -7.763 1.00 3.10 H new ATOM 0 HD12 LEU A 100 -4.593 -0.552 -6.800 1.00 3.10 H new ATOM 0 HD13 LEU A 100 -4.733 -2.266 -7.259 1.00 3.10 H new ATOM 0 HD21 LEU A 100 -3.647 -1.820 -10.150 1.00 3.92 H new ATOM 0 HD22 LEU A 100 -5.093 -2.810 -9.835 1.00 3.92 H new ATOM 0 HD23 LEU A 100 -5.187 -1.426 -10.950 1.00 3.92 H new ATOM 1438 N THR A 101 -6.588 -3.609 -6.436 1.00 1.56 N ATOM 1439 CA THR A 101 -6.743 -4.320 -5.163 1.00 1.67 C ATOM 1440 C THR A 101 -5.353 -4.691 -4.657 1.00 1.39 C ATOM 1441 O THR A 101 -4.701 -5.546 -5.249 1.00 1.93 O ATOM 1442 CB THR A 101 -7.611 -5.556 -5.431 1.00 2.47 C ATOM 1443 OG1 THR A 101 -8.935 -5.135 -5.694 1.00 3.32 O ATOM 1444 CG2 THR A 101 -7.677 -6.524 -4.257 1.00 2.85 C ATOM 0 H THR A 101 -5.935 -4.069 -7.070 1.00 1.56 H new ATOM 0 HA THR A 101 -7.228 -3.713 -4.398 1.00 1.67 H new ATOM 0 HB THR A 101 -7.152 -6.075 -6.273 1.00 2.47 H new ATOM 0 HG1 THR A 101 -9.022 -4.900 -6.642 1.00 3.32 H new ATOM 0 HG21 THR A 101 -8.308 -7.373 -4.520 1.00 2.85 H new ATOM 0 HG22 THR A 101 -6.674 -6.878 -4.020 1.00 2.85 H new ATOM 0 HG23 THR A 101 -8.097 -6.015 -3.389 1.00 2.85 H new ATOM 1452 N LEU A 102 -4.892 -4.049 -3.579 1.00 1.31 N ATOM 1453 CA LEU A 102 -3.574 -4.270 -2.978 1.00 1.52 C ATOM 1454 C LEU A 102 -3.666 -5.217 -1.772 1.00 1.27 C ATOM 1455 O LEU A 102 -4.177 -4.838 -0.718 1.00 1.33 O ATOM 1456 CB LEU A 102 -2.897 -2.938 -2.582 1.00 2.11 C ATOM 1457 CG LEU A 102 -2.314 -2.139 -3.764 1.00 2.96 C ATOM 1458 CD1 LEU A 102 -3.367 -1.205 -4.365 1.00 4.41 C ATOM 1459 CD2 LEU A 102 -1.105 -1.311 -3.299 1.00 3.47 C ATOM 0 H LEU A 102 -5.440 -3.343 -3.088 1.00 1.31 H new ATOM 0 HA LEU A 102 -2.949 -4.745 -3.734 1.00 1.52 H new ATOM 0 HB2 LEU A 102 -3.626 -2.315 -2.064 1.00 2.11 H new ATOM 0 HB3 LEU A 102 -2.096 -3.149 -1.873 1.00 2.11 H new ATOM 0 HG LEU A 102 -1.998 -2.850 -4.527 1.00 2.96 H new ATOM 0 HD11 LEU A 102 -2.931 -0.652 -5.197 1.00 4.41 H new ATOM 0 HD12 LEU A 102 -4.213 -1.792 -4.723 1.00 4.41 H new ATOM 0 HD13 LEU A 102 -3.709 -0.504 -3.603 1.00 4.41 H new ATOM 0 HD21 LEU A 102 -0.702 -0.751 -4.143 1.00 3.47 H new ATOM 0 HD22 LEU A 102 -1.418 -0.617 -2.519 1.00 3.47 H new ATOM 0 HD23 LEU A 102 -0.337 -1.977 -2.906 1.00 3.47 H new ATOM 1471 N GLN A 103 -3.185 -6.454 -1.901 1.00 1.32 N ATOM 1472 CA GLN A 103 -3.288 -7.489 -0.864 1.00 1.46 C ATOM 1473 C GLN A 103 -1.907 -7.996 -0.453 1.00 1.61 C ATOM 1474 O GLN A 103 -1.013 -8.093 -1.290 1.00 1.94 O ATOM 1475 CB GLN A 103 -4.139 -8.665 -1.363 1.00 2.26 C ATOM 1476 CG GLN A 103 -5.569 -8.256 -1.760 1.00 2.60 C ATOM 1477 CD GLN A 103 -6.424 -7.785 -0.580 1.00 2.07 C ATOM 1478 OE1 GLN A 103 -7.086 -8.563 0.080 1.00 2.66 O ATOM 1479 NE2 GLN A 103 -6.413 -6.521 -0.215 1.00 2.44 N ATOM 0 H GLN A 103 -2.704 -6.773 -2.742 1.00 1.32 H new ATOM 0 HA GLN A 103 -3.767 -7.040 0.006 1.00 1.46 H new ATOM 0 HB2 GLN A 103 -3.647 -9.122 -2.222 1.00 2.26 H new ATOM 0 HB3 GLN A 103 -4.189 -9.425 -0.583 1.00 2.26 H new ATOM 0 HG2 GLN A 103 -5.517 -7.458 -2.501 1.00 2.60 H new ATOM 0 HG3 GLN A 103 -6.060 -9.103 -2.238 1.00 2.60 H new ATOM 0 HE21 GLN A 103 -5.868 -5.842 -0.746 1.00 2.44 H new ATOM 0 HE22 GLN A 103 -6.949 -6.221 0.599 1.00 2.44 H new ATOM 1488 N ARG A 104 -1.744 -8.339 0.832 1.00 1.78 N ATOM 1489 CA ARG A 104 -0.434 -8.642 1.428 1.00 2.68 C ATOM 1490 C ARG A 104 0.319 -9.783 0.727 1.00 3.57 C ATOM 1491 O ARG A 104 1.546 -9.766 0.677 1.00 4.66 O ATOM 1492 CB ARG A 104 -0.629 -8.865 2.936 1.00 2.77 C ATOM 1493 CG ARG A 104 0.684 -8.935 3.726 1.00 4.10 C ATOM 1494 CD ARG A 104 1.269 -10.342 3.852 1.00 4.49 C ATOM 1495 NE ARG A 104 0.518 -11.131 4.836 1.00 4.36 N ATOM 1496 CZ ARG A 104 0.872 -12.329 5.271 1.00 4.72 C ATOM 1497 NH1 ARG A 104 1.829 -13.030 4.709 1.00 5.27 N ATOM 1498 NH2 ARG A 104 0.323 -12.778 6.372 1.00 5.41 N ATOM 0 H ARG A 104 -2.519 -8.415 1.490 1.00 1.78 H new ATOM 0 HA ARG A 104 0.227 -7.788 1.278 1.00 2.68 H new ATOM 0 HB2 ARG A 104 -1.241 -8.057 3.337 1.00 2.77 H new ATOM 0 HB3 ARG A 104 -1.184 -9.791 3.088 1.00 2.77 H new ATOM 0 HG2 ARG A 104 1.419 -8.291 3.244 1.00 4.10 H new ATOM 0 HG3 ARG A 104 0.515 -8.534 4.725 1.00 4.10 H new ATOM 0 HD2 ARG A 104 1.243 -10.840 2.883 1.00 4.49 H new ATOM 0 HD3 ARG A 104 2.316 -10.281 4.150 1.00 4.49 H new ATOM 0 HE ARG A 104 -0.339 -10.726 5.212 1.00 4.36 H new ATOM 0 HH11 ARG A 104 2.331 -12.654 3.905 1.00 5.27 H new ATOM 0 HH12 ARG A 104 2.070 -13.950 5.077 1.00 5.27 H new ATOM 0 HH21 ARG A 104 -0.359 -12.207 6.871 1.00 5.41 H new ATOM 0 HH22 ARG A 104 0.578 -13.698 6.730 1.00 5.41 H new ATOM 1512 N ASP A 105 -0.393 -10.756 0.159 1.00 3.51 N ATOM 1513 CA ASP A 105 0.084 -11.431 -1.049 1.00 4.53 C ATOM 1514 C ASP A 105 -0.934 -11.218 -2.184 1.00 3.04 C ATOM 1515 O ASP A 105 -2.141 -11.391 -1.995 1.00 2.99 O ATOM 1516 CB ASP A 105 0.499 -12.900 -0.799 1.00 6.26 C ATOM 1517 CG ASP A 105 -0.632 -13.923 -0.601 1.00 6.31 C ATOM 1518 OD1 ASP A 105 -1.256 -14.307 -1.626 1.00 6.24 O ATOM 1519 OD2 ASP A 105 -0.779 -14.429 0.536 1.00 7.01 O ATOM 0 H ASP A 105 -1.290 -11.092 0.509 1.00 3.51 H new ATOM 0 HA ASP A 105 1.019 -10.975 -1.374 1.00 4.53 H new ATOM 0 HB2 ASP A 105 1.108 -13.228 -1.642 1.00 6.26 H new ATOM 0 HB3 ASP A 105 1.137 -12.926 0.084 1.00 6.26 H new ATOM 1524 N GLY A 106 -0.418 -10.737 -3.321 1.00 2.75 N ATOM 1525 CA GLY A 106 -1.196 -10.197 -4.434 1.00 2.14 C ATOM 1526 C GLY A 106 -0.592 -8.893 -4.957 1.00 2.63 C ATOM 1527 O GLY A 106 -0.235 -8.847 -6.125 1.00 3.36 O ATOM 0 H GLY A 106 0.587 -10.714 -3.494 1.00 2.75 H new ATOM 0 HA2 GLY A 106 -1.237 -10.930 -5.240 1.00 2.14 H new ATOM 0 HA3 GLY A 106 -2.222 -10.021 -4.111 1.00 2.14 H new ATOM 1531 N ASP A 107 -0.423 -7.878 -4.102 1.00 2.56 N ATOM 1532 CA ASP A 107 -0.047 -6.502 -4.473 1.00 3.22 C ATOM 1533 C ASP A 107 0.193 -5.656 -3.207 1.00 2.50 C ATOM 1534 O ASP A 107 -0.781 -5.229 -2.598 1.00 2.32 O ATOM 1535 CB ASP A 107 -1.207 -5.851 -5.275 1.00 4.24 C ATOM 1536 CG ASP A 107 -1.158 -5.904 -6.794 1.00 5.61 C ATOM 1537 OD1 ASP A 107 -0.034 -5.827 -7.335 1.00 5.88 O ATOM 1538 OD2 ASP A 107 -2.253 -5.875 -7.412 1.00 6.99 O ATOM 0 H ASP A 107 -0.548 -7.992 -3.096 1.00 2.56 H new ATOM 0 HA ASP A 107 0.863 -6.539 -5.072 1.00 3.22 H new ATOM 0 HB2 ASP A 107 -2.136 -6.324 -4.957 1.00 4.24 H new ATOM 0 HB3 ASP A 107 -1.266 -4.803 -4.982 1.00 4.24 H new ATOM 1543 N HIS A 108 1.426 -5.335 -2.778 1.00 2.40 N ATOM 1544 CA HIS A 108 1.612 -4.561 -1.529 1.00 2.00 C ATOM 1545 C HIS A 108 3.025 -3.982 -1.264 1.00 1.84 C ATOM 1546 O HIS A 108 3.960 -4.176 -2.045 1.00 2.19 O ATOM 1547 CB HIS A 108 1.085 -5.376 -0.320 1.00 1.89 C ATOM 1548 CG HIS A 108 2.122 -6.070 0.516 1.00 2.15 C ATOM 1549 ND1 HIS A 108 3.010 -7.026 0.090 1.00 2.50 N ATOM 1550 CD2 HIS A 108 2.321 -5.899 1.856 1.00 3.09 C ATOM 1551 CE1 HIS A 108 3.719 -7.433 1.157 1.00 2.75 C ATOM 1552 NE2 HIS A 108 3.327 -6.779 2.263 1.00 3.19 N ATOM 0 H HIS A 108 2.289 -5.589 -3.259 1.00 2.40 H new ATOM 0 HA HIS A 108 1.016 -3.660 -1.673 1.00 2.00 H new ATOM 0 HB2 HIS A 108 0.519 -4.704 0.325 1.00 1.89 H new ATOM 0 HB3 HIS A 108 0.386 -6.126 -0.691 1.00 1.89 H new ATOM 0 HD1 HIS A 108 3.113 -7.367 -0.866 1.00 2.50 H new ATOM 0 HD2 HIS A 108 1.792 -5.204 2.491 1.00 3.09 H new ATOM 0 HE1 HIS A 108 4.496 -8.182 1.129 1.00 2.75 H new ATOM 1560 N VAL A 109 3.191 -3.275 -0.136 1.00 1.47 N ATOM 1561 CA VAL A 109 4.498 -2.852 0.381 1.00 1.29 C ATOM 1562 C VAL A 109 4.698 -3.363 1.813 1.00 1.13 C ATOM 1563 O VAL A 109 3.852 -3.163 2.686 1.00 1.29 O ATOM 1564 CB VAL A 109 4.696 -1.324 0.271 1.00 1.50 C ATOM 1565 CG1 VAL A 109 4.714 -0.889 -1.205 1.00 3.08 C ATOM 1566 CG2 VAL A 109 3.669 -0.485 1.048 1.00 1.64 C ATOM 0 H VAL A 109 2.410 -2.978 0.449 1.00 1.47 H new ATOM 0 HA VAL A 109 5.270 -3.302 -0.243 1.00 1.29 H new ATOM 0 HB VAL A 109 5.660 -1.127 0.741 1.00 1.50 H new ATOM 0 HG11 VAL A 109 4.854 0.190 -1.265 1.00 3.08 H new ATOM 0 HG12 VAL A 109 5.532 -1.390 -1.722 1.00 3.08 H new ATOM 0 HG13 VAL A 109 3.768 -1.158 -1.675 1.00 3.08 H new ATOM 0 HG21 VAL A 109 3.887 0.574 0.912 1.00 1.64 H new ATOM 0 HG22 VAL A 109 2.667 -0.700 0.676 1.00 1.64 H new ATOM 0 HG23 VAL A 109 3.723 -0.734 2.108 1.00 1.64 H new ATOM 1576 N MET A 110 5.846 -4.006 2.044 1.00 1.01 N ATOM 1577 CA MET A 110 6.343 -4.423 3.360 1.00 0.96 C ATOM 1578 C MET A 110 7.236 -3.331 3.966 1.00 0.81 C ATOM 1579 O MET A 110 7.990 -2.652 3.270 1.00 0.87 O ATOM 1580 CB MET A 110 7.093 -5.772 3.249 1.00 1.12 C ATOM 1581 CG MET A 110 6.399 -6.859 4.080 1.00 1.35 C ATOM 1582 SD MET A 110 7.055 -8.535 3.874 1.00 1.74 S ATOM 1583 CE MET A 110 5.784 -9.427 4.814 1.00 2.83 C ATOM 0 H MET A 110 6.482 -4.261 1.288 1.00 1.01 H new ATOM 0 HA MET A 110 5.495 -4.567 4.029 1.00 0.96 H new ATOM 0 HB2 MET A 110 7.139 -6.082 2.205 1.00 1.12 H new ATOM 0 HB3 MET A 110 8.121 -5.649 3.590 1.00 1.12 H new ATOM 0 HG2 MET A 110 6.469 -6.587 5.133 1.00 1.35 H new ATOM 0 HG3 MET A 110 5.340 -6.868 3.823 1.00 1.35 H new ATOM 0 HE1 MET A 110 6.008 -10.494 4.808 1.00 2.83 H new ATOM 0 HE2 MET A 110 5.770 -9.065 5.842 1.00 2.83 H new ATOM 0 HE3 MET A 110 4.809 -9.259 4.357 1.00 2.83 H new ATOM 1593 N LEU A 111 7.155 -3.160 5.280 1.00 0.80 N ATOM 1594 CA LEU A 111 7.862 -2.167 6.085 1.00 0.75 C ATOM 1595 C LEU A 111 8.956 -2.902 6.879 1.00 0.81 C ATOM 1596 O LEU A 111 8.762 -3.280 8.036 1.00 0.99 O ATOM 1597 CB LEU A 111 6.788 -1.458 6.945 1.00 0.85 C ATOM 1598 CG LEU A 111 7.182 -0.078 7.499 1.00 2.23 C ATOM 1599 CD1 LEU A 111 5.944 0.573 8.129 1.00 2.95 C ATOM 1600 CD2 LEU A 111 8.338 -0.140 8.509 1.00 4.26 C ATOM 0 H LEU A 111 6.552 -3.752 5.852 1.00 0.80 H new ATOM 0 HA LEU A 111 8.377 -1.396 5.511 1.00 0.75 H new ATOM 0 HB2 LEU A 111 5.885 -1.344 6.345 1.00 0.85 H new ATOM 0 HB3 LEU A 111 6.534 -2.107 7.783 1.00 0.85 H new ATOM 0 HG LEU A 111 7.547 0.525 6.667 1.00 2.23 H new ATOM 0 HD11 LEU A 111 6.210 1.553 8.526 1.00 2.95 H new ATOM 0 HD12 LEU A 111 5.168 0.687 7.372 1.00 2.95 H new ATOM 0 HD13 LEU A 111 5.573 -0.057 8.937 1.00 2.95 H new ATOM 0 HD21 LEU A 111 8.567 0.866 8.862 1.00 4.26 H new ATOM 0 HD22 LEU A 111 8.049 -0.764 9.355 1.00 4.26 H new ATOM 0 HD23 LEU A 111 9.219 -0.565 8.028 1.00 4.26 H new ATOM 1612 N MET A 112 10.097 -3.140 6.226 1.00 0.78 N ATOM 1613 CA MET A 112 11.241 -3.829 6.816 1.00 0.86 C ATOM 1614 C MET A 112 12.032 -2.841 7.675 1.00 0.80 C ATOM 1615 O MET A 112 12.652 -1.900 7.163 1.00 0.93 O ATOM 1616 CB MET A 112 12.112 -4.444 5.712 1.00 1.04 C ATOM 1617 CG MET A 112 13.177 -5.397 6.278 1.00 1.33 C ATOM 1618 SD MET A 112 14.805 -5.227 5.503 1.00 2.32 S ATOM 1619 CE MET A 112 15.494 -3.937 6.564 1.00 4.01 C ATOM 0 H MET A 112 10.251 -2.854 5.259 1.00 0.78 H new ATOM 0 HA MET A 112 10.899 -4.644 7.454 1.00 0.86 H new ATOM 0 HB2 MET A 112 11.478 -4.986 5.010 1.00 1.04 H new ATOM 0 HB3 MET A 112 12.601 -3.648 5.151 1.00 1.04 H new ATOM 0 HG2 MET A 112 13.276 -5.220 7.349 1.00 1.33 H new ATOM 0 HG3 MET A 112 12.833 -6.424 6.155 1.00 1.33 H new ATOM 0 HE1 MET A 112 16.418 -3.560 6.125 1.00 4.01 H new ATOM 0 HE2 MET A 112 14.777 -3.121 6.658 1.00 4.01 H new ATOM 0 HE3 MET A 112 15.704 -4.351 7.550 1.00 4.01 H new ATOM 1629 N GLY A 113 11.999 -3.047 8.994 1.00 0.85 N ATOM 1630 CA GLY A 113 12.659 -2.178 9.966 1.00 1.03 C ATOM 1631 C GLY A 113 11.801 -0.969 10.292 1.00 1.15 C ATOM 1632 O GLY A 113 12.008 0.117 9.751 1.00 1.67 O ATOM 0 H GLY A 113 11.507 -3.832 9.420 1.00 0.85 H new ATOM 0 HA2 GLY A 113 12.864 -2.738 10.878 1.00 1.03 H new ATOM 0 HA3 GLY A 113 13.620 -1.849 9.570 1.00 1.03 H new ATOM 1636 N LEU A 114 10.865 -1.151 11.212 1.00 1.09 N ATOM 1637 CA LEU A 114 10.090 -0.090 11.866 1.00 1.19 C ATOM 1638 C LEU A 114 10.886 0.542 13.024 1.00 1.32 C ATOM 1639 O LEU A 114 12.011 0.128 13.317 1.00 2.15 O ATOM 1640 CB LEU A 114 8.787 -0.759 12.327 1.00 1.56 C ATOM 1641 CG LEU A 114 7.643 0.195 12.734 1.00 2.10 C ATOM 1642 CD1 LEU A 114 6.414 -0.010 11.843 1.00 2.95 C ATOM 1643 CD2 LEU A 114 7.242 -0.110 14.188 1.00 2.95 C ATOM 0 H LEU A 114 10.609 -2.081 11.542 1.00 1.09 H new ATOM 0 HA LEU A 114 9.873 0.740 11.194 1.00 1.19 H new ATOM 0 HB2 LEU A 114 8.428 -1.402 11.524 1.00 1.56 H new ATOM 0 HB3 LEU A 114 9.014 -1.405 13.175 1.00 1.56 H new ATOM 0 HG LEU A 114 7.991 1.222 12.626 1.00 2.10 H new ATOM 0 HD11 LEU A 114 5.623 0.674 12.151 1.00 2.95 H new ATOM 0 HD12 LEU A 114 6.680 0.187 10.805 1.00 2.95 H new ATOM 0 HD13 LEU A 114 6.063 -1.037 11.939 1.00 2.95 H new ATOM 0 HD21 LEU A 114 6.434 0.557 14.490 1.00 2.95 H new ATOM 0 HD22 LEU A 114 6.906 -1.144 14.264 1.00 2.95 H new ATOM 0 HD23 LEU A 114 8.101 0.041 14.842 1.00 2.95 H new ATOM 1655 N LYS A 115 10.286 1.518 13.704 1.00 1.19 N ATOM 1656 CA LYS A 115 10.867 2.286 14.821 1.00 1.56 C ATOM 1657 C LYS A 115 9.770 2.898 15.720 1.00 1.68 C ATOM 1658 O LYS A 115 9.699 2.548 16.892 1.00 2.37 O ATOM 1659 CB LYS A 115 11.870 3.330 14.275 1.00 1.79 C ATOM 1660 CG LYS A 115 11.381 3.997 12.979 1.00 2.02 C ATOM 1661 CD LYS A 115 12.290 5.087 12.422 1.00 2.46 C ATOM 1662 CE LYS A 115 11.613 5.458 11.102 1.00 2.93 C ATOM 1663 NZ LYS A 115 12.264 6.590 10.394 1.00 3.78 N ATOM 0 H LYS A 115 9.335 1.814 13.486 1.00 1.19 H new ATOM 0 HA LYS A 115 11.426 1.611 15.469 1.00 1.56 H new ATOM 0 HB2 LYS A 115 12.040 4.096 15.032 1.00 1.79 H new ATOM 0 HB3 LYS A 115 12.829 2.846 14.091 1.00 1.79 H new ATOM 0 HG2 LYS A 115 11.257 3.226 12.218 1.00 2.02 H new ATOM 0 HG3 LYS A 115 10.396 4.427 13.161 1.00 2.02 H new ATOM 0 HD2 LYS A 115 12.356 5.941 13.096 1.00 2.46 H new ATOM 0 HD3 LYS A 115 13.306 4.725 12.267 1.00 2.46 H new ATOM 0 HE2 LYS A 115 11.610 4.586 10.448 1.00 2.93 H new ATOM 0 HE3 LYS A 115 10.572 5.714 11.297 1.00 2.93 H new ATOM 0 HZ1 LYS A 115 11.743 6.797 9.518 1.00 3.78 H new ATOM 0 HZ2 LYS A 115 12.260 7.431 11.006 1.00 3.78 H new ATOM 0 HZ3 LYS A 115 13.245 6.336 10.161 1.00 3.78 H new ATOM 1677 N ARG A 116 8.879 3.763 15.202 1.00 1.49 N ATOM 1678 CA ARG A 116 7.689 4.220 15.952 1.00 1.78 C ATOM 1679 C ARG A 116 6.577 3.163 15.846 1.00 1.37 C ATOM 1680 O ARG A 116 6.251 2.812 14.711 1.00 1.11 O ATOM 1681 CB ARG A 116 7.223 5.622 15.509 1.00 2.25 C ATOM 1682 CG ARG A 116 6.680 5.754 14.070 1.00 3.69 C ATOM 1683 CD ARG A 116 5.150 5.629 13.943 1.00 4.68 C ATOM 1684 NE ARG A 116 4.471 6.885 14.315 1.00 5.44 N ATOM 1685 CZ ARG A 116 3.518 7.060 15.229 1.00 6.15 C ATOM 1686 NH1 ARG A 116 2.942 6.085 15.901 1.00 6.56 N ATOM 1687 NH2 ARG A 116 3.088 8.279 15.460 1.00 7.07 N ATOM 0 H ARG A 116 8.959 4.161 14.266 1.00 1.49 H new ATOM 0 HA ARG A 116 7.958 4.326 17.003 1.00 1.78 H new ATOM 0 HB2 ARG A 116 6.446 5.954 16.197 1.00 2.25 H new ATOM 0 HB3 ARG A 116 8.062 6.309 15.620 1.00 2.25 H new ATOM 0 HG2 ARG A 116 6.986 6.720 13.668 1.00 3.69 H new ATOM 0 HG3 ARG A 116 7.146 4.989 13.449 1.00 3.69 H new ATOM 0 HD2 ARG A 116 4.890 5.363 12.918 1.00 4.68 H new ATOM 0 HD3 ARG A 116 4.796 4.820 14.582 1.00 4.68 H new ATOM 0 HE ARG A 116 4.767 7.721 13.811 1.00 5.44 H new ATOM 0 HH11 ARG A 116 3.220 5.118 15.735 1.00 6.56 H new ATOM 0 HH12 ARG A 116 2.218 6.297 16.587 1.00 6.56 H new ATOM 0 HH21 ARG A 116 3.483 9.065 14.944 1.00 7.07 H new ATOM 0 HH22 ARG A 116 2.359 8.439 16.155 1.00 7.07 H new ATOM 1701 N PRO A 117 6.045 2.609 16.959 1.00 1.58 N ATOM 1702 CA PRO A 117 5.019 1.559 16.932 1.00 1.42 C ATOM 1703 C PRO A 117 3.721 2.071 16.300 1.00 1.33 C ATOM 1704 O PRO A 117 3.517 3.283 16.235 1.00 1.87 O ATOM 1705 CB PRO A 117 4.829 1.117 18.387 1.00 2.16 C ATOM 1706 CG PRO A 117 5.230 2.354 19.185 1.00 2.63 C ATOM 1707 CD PRO A 117 6.341 2.977 18.341 1.00 2.30 C ATOM 0 HA PRO A 117 5.322 0.713 16.315 1.00 1.42 H new ATOM 0 HB2 PRO A 117 3.798 0.826 18.588 1.00 2.16 H new ATOM 0 HB3 PRO A 117 5.456 0.260 18.632 1.00 2.16 H new ATOM 0 HG2 PRO A 117 4.391 3.038 19.313 1.00 2.63 H new ATOM 0 HG3 PRO A 117 5.583 2.092 20.182 1.00 2.63 H new ATOM 0 HD2 PRO A 117 6.363 4.060 18.461 1.00 2.30 H new ATOM 0 HD3 PRO A 117 7.319 2.603 18.644 1.00 2.30 H new ATOM 1715 N LEU A 118 2.875 1.154 15.805 1.00 1.18 N ATOM 1716 CA LEU A 118 1.599 1.486 15.156 1.00 1.46 C ATOM 1717 C LEU A 118 0.471 0.641 15.759 1.00 1.45 C ATOM 1718 O LEU A 118 0.353 -0.561 15.488 1.00 1.83 O ATOM 1719 CB LEU A 118 1.697 1.286 13.628 1.00 1.81 C ATOM 1720 CG LEU A 118 2.765 2.121 12.898 1.00 1.79 C ATOM 1721 CD1 LEU A 118 2.835 1.681 11.429 1.00 2.67 C ATOM 1722 CD2 LEU A 118 2.441 3.619 12.953 1.00 1.97 C ATOM 0 H LEU A 118 3.060 0.152 15.845 1.00 1.18 H new ATOM 0 HA LEU A 118 1.372 2.537 15.335 1.00 1.46 H new ATOM 0 HB2 LEU A 118 1.894 0.232 13.433 1.00 1.81 H new ATOM 0 HB3 LEU A 118 0.725 1.515 13.190 1.00 1.81 H new ATOM 0 HG LEU A 118 3.721 1.957 13.395 1.00 1.79 H new ATOM 0 HD11 LEU A 118 3.590 2.270 10.908 1.00 2.67 H new ATOM 0 HD12 LEU A 118 3.100 0.625 11.378 1.00 2.67 H new ATOM 0 HD13 LEU A 118 1.865 1.835 10.956 1.00 2.67 H new ATOM 0 HD21 LEU A 118 3.215 4.178 12.428 1.00 1.97 H new ATOM 0 HD22 LEU A 118 1.477 3.800 12.478 1.00 1.97 H new ATOM 0 HD23 LEU A 118 2.400 3.944 13.992 1.00 1.97 H new ATOM 1734 N LYS A 119 -0.366 1.275 16.581 1.00 1.17 N ATOM 1735 CA LYS A 119 -1.469 0.640 17.299 1.00 1.14 C ATOM 1736 C LYS A 119 -2.671 0.419 16.367 1.00 1.20 C ATOM 1737 O LYS A 119 -2.944 1.207 15.480 1.00 1.32 O ATOM 1738 CB LYS A 119 -1.805 1.484 18.554 1.00 1.30 C ATOM 1739 CG LYS A 119 -3.041 0.990 19.325 1.00 1.97 C ATOM 1740 CD LYS A 119 -3.222 1.623 20.713 1.00 2.39 C ATOM 1741 CE LYS A 119 -4.573 1.165 21.293 1.00 3.70 C ATOM 1742 NZ LYS A 119 -4.798 1.614 22.688 1.00 4.33 N ATOM 0 H LYS A 119 -0.292 2.275 16.770 1.00 1.17 H new ATOM 0 HA LYS A 119 -1.179 -0.353 17.641 1.00 1.14 H new ATOM 0 HB2 LYS A 119 -0.945 1.479 19.224 1.00 1.30 H new ATOM 0 HB3 LYS A 119 -1.967 2.518 18.251 1.00 1.30 H new ATOM 0 HG2 LYS A 119 -3.930 1.193 18.728 1.00 1.97 H new ATOM 0 HG3 LYS A 119 -2.974 -0.092 19.439 1.00 1.97 H new ATOM 0 HD2 LYS A 119 -2.407 1.325 21.373 1.00 2.39 H new ATOM 0 HD3 LYS A 119 -3.192 2.710 20.639 1.00 2.39 H new ATOM 0 HE2 LYS A 119 -5.378 1.544 20.663 1.00 3.70 H new ATOM 0 HE3 LYS A 119 -4.625 0.077 21.257 1.00 3.70 H new ATOM 0 HZ1 LYS A 119 -5.724 1.273 23.018 1.00 4.33 H new ATOM 0 HZ2 LYS A 119 -4.050 1.232 23.301 1.00 4.33 H new ATOM 0 HZ3 LYS A 119 -4.779 2.653 22.726 1.00 4.33 H new ATOM 1756 N VAL A 120 -3.435 -0.638 16.642 1.00 1.45 N ATOM 1757 CA VAL A 120 -4.599 -1.224 15.919 1.00 1.75 C ATOM 1758 C VAL A 120 -5.419 -0.331 14.959 1.00 2.15 C ATOM 1759 O VAL A 120 -5.787 -0.805 13.891 1.00 2.84 O ATOM 1760 CB VAL A 120 -5.535 -1.945 16.926 1.00 1.63 C ATOM 1761 CG1 VAL A 120 -6.275 -0.992 17.883 1.00 1.62 C ATOM 1762 CG2 VAL A 120 -6.544 -2.867 16.228 1.00 2.58 C ATOM 0 H VAL A 120 -3.239 -1.184 17.481 1.00 1.45 H new ATOM 0 HA VAL A 120 -4.120 -1.912 15.222 1.00 1.75 H new ATOM 0 HB VAL A 120 -4.862 -2.552 17.532 1.00 1.63 H new ATOM 0 HG11 VAL A 120 -6.909 -1.571 18.555 1.00 1.62 H new ATOM 0 HG12 VAL A 120 -5.549 -0.426 18.467 1.00 1.62 H new ATOM 0 HG13 VAL A 120 -6.892 -0.304 17.306 1.00 1.62 H new ATOM 0 HG21 VAL A 120 -7.175 -3.348 16.975 1.00 2.58 H new ATOM 0 HG22 VAL A 120 -7.165 -2.280 15.551 1.00 2.58 H new ATOM 0 HG23 VAL A 120 -6.009 -3.629 15.661 1.00 2.58 H new ATOM 1772 N GLY A 121 -5.713 0.921 15.321 1.00 2.03 N ATOM 1773 CA GLY A 121 -6.515 1.917 14.593 1.00 2.48 C ATOM 1774 C GLY A 121 -5.850 3.300 14.459 1.00 2.30 C ATOM 1775 O GLY A 121 -6.558 4.295 14.296 1.00 2.59 O ATOM 0 H GLY A 121 -5.369 1.298 16.204 1.00 2.03 H new ATOM 0 HA2 GLY A 121 -6.729 1.533 13.596 1.00 2.48 H new ATOM 0 HA3 GLY A 121 -7.472 2.036 15.101 1.00 2.48 H new ATOM 1779 N GLU A 122 -4.526 3.385 14.609 1.00 1.91 N ATOM 1780 CA GLU A 122 -3.753 4.633 14.622 1.00 1.74 C ATOM 1781 C GLU A 122 -3.619 5.243 13.214 1.00 1.58 C ATOM 1782 O GLU A 122 -3.659 4.532 12.204 1.00 1.58 O ATOM 1783 CB GLU A 122 -2.383 4.352 15.275 1.00 1.64 C ATOM 1784 CG GLU A 122 -1.520 5.594 15.560 1.00 1.59 C ATOM 1785 CD GLU A 122 -0.288 5.278 16.420 1.00 1.74 C ATOM 1786 OE1 GLU A 122 0.007 4.066 16.601 1.00 2.87 O ATOM 1787 OE2 GLU A 122 0.341 6.233 16.920 1.00 1.72 O ATOM 0 H GLU A 122 -3.940 2.559 14.729 1.00 1.91 H new ATOM 0 HA GLU A 122 -4.281 5.383 15.211 1.00 1.74 H new ATOM 0 HB2 GLU A 122 -2.549 3.823 16.213 1.00 1.64 H new ATOM 0 HB3 GLU A 122 -1.821 3.681 14.625 1.00 1.64 H new ATOM 0 HG2 GLU A 122 -1.196 6.030 14.615 1.00 1.59 H new ATOM 0 HG3 GLU A 122 -2.127 6.345 16.066 1.00 1.59 H new ATOM 1794 N THR A 123 -3.457 6.570 13.159 1.00 1.64 N ATOM 1795 CA THR A 123 -3.238 7.349 11.936 1.00 1.70 C ATOM 1796 C THR A 123 -1.752 7.316 11.600 1.00 1.46 C ATOM 1797 O THR A 123 -0.920 7.616 12.449 1.00 1.48 O ATOM 1798 CB THR A 123 -3.758 8.779 12.125 1.00 2.11 C ATOM 1799 OG1 THR A 123 -5.063 8.721 12.646 1.00 3.20 O ATOM 1800 CG2 THR A 123 -3.828 9.532 10.798 1.00 2.73 C ATOM 0 H THR A 123 -3.476 7.152 13.997 1.00 1.64 H new ATOM 0 HA THR A 123 -3.790 6.918 11.101 1.00 1.70 H new ATOM 0 HB THR A 123 -3.073 9.298 12.796 1.00 2.11 H new ATOM 0 HG1 THR A 123 -5.405 9.630 12.773 1.00 3.20 H new ATOM 0 HG21 THR A 123 -4.201 10.541 10.972 1.00 2.73 H new ATOM 0 HG22 THR A 123 -2.833 9.584 10.356 1.00 2.73 H new ATOM 0 HG23 THR A 123 -4.500 9.009 10.118 1.00 2.73 H new ATOM 1808 N VAL A 124 -1.418 6.960 10.363 1.00 1.36 N ATOM 1809 CA VAL A 124 -0.064 6.658 9.880 1.00 1.33 C ATOM 1810 C VAL A 124 0.295 7.605 8.732 1.00 1.07 C ATOM 1811 O VAL A 124 -0.582 8.008 7.967 1.00 0.99 O ATOM 1812 CB VAL A 124 0.057 5.183 9.418 1.00 1.63 C ATOM 1813 CG1 VAL A 124 1.538 4.791 9.245 1.00 1.90 C ATOM 1814 CG2 VAL A 124 -0.623 4.217 10.406 1.00 2.94 C ATOM 0 H VAL A 124 -2.118 6.868 9.627 1.00 1.36 H new ATOM 0 HA VAL A 124 0.634 6.804 10.704 1.00 1.33 H new ATOM 0 HB VAL A 124 -0.454 5.102 8.459 1.00 1.63 H new ATOM 0 HG11 VAL A 124 1.604 3.753 8.920 1.00 1.90 H new ATOM 0 HG12 VAL A 124 2.000 5.435 8.497 1.00 1.90 H new ATOM 0 HG13 VAL A 124 2.059 4.908 10.195 1.00 1.90 H new ATOM 0 HG21 VAL A 124 -0.516 3.194 10.046 1.00 2.94 H new ATOM 0 HG22 VAL A 124 -0.154 4.308 11.385 1.00 2.94 H new ATOM 0 HG23 VAL A 124 -1.681 4.464 10.487 1.00 2.94 H new ATOM 1824 N ASN A 125 1.576 7.971 8.621 1.00 1.08 N ATOM 1825 CA ASN A 125 2.055 8.919 7.616 1.00 0.97 C ATOM 1826 C ASN A 125 2.549 8.176 6.355 1.00 0.81 C ATOM 1827 O ASN A 125 3.567 7.471 6.372 1.00 0.85 O ATOM 1828 CB ASN A 125 3.139 9.851 8.196 1.00 1.21 C ATOM 1829 CG ASN A 125 3.027 10.114 9.695 1.00 1.90 C ATOM 1830 OD1 ASN A 125 3.429 9.294 10.509 1.00 3.46 O ATOM 1831 ND2 ASN A 125 2.508 11.249 10.114 1.00 1.50 N ATOM 0 H ASN A 125 2.312 7.615 9.230 1.00 1.08 H new ATOM 0 HA ASN A 125 1.218 9.551 7.319 1.00 0.97 H new ATOM 0 HB2 ASN A 125 4.118 9.418 7.990 1.00 1.21 H new ATOM 0 HB3 ASN A 125 3.096 10.805 7.671 1.00 1.21 H new ATOM 0 HD21 ASN A 125 2.442 11.442 11.114 1.00 1.50 H new ATOM 0 HD22 ASN A 125 2.171 11.936 9.439 1.00 1.50 H new ATOM 1838 N ILE A 126 1.830 8.346 5.240 1.00 0.85 N ATOM 1839 CA ILE A 126 2.069 7.650 3.964 1.00 0.79 C ATOM 1840 C ILE A 126 2.393 8.650 2.842 1.00 0.78 C ATOM 1841 O ILE A 126 1.823 9.746 2.767 1.00 0.84 O ATOM 1842 CB ILE A 126 0.844 6.738 3.665 1.00 0.81 C ATOM 1843 CG1 ILE A 126 1.018 5.326 4.281 1.00 1.38 C ATOM 1844 CG2 ILE A 126 0.460 6.629 2.184 1.00 1.31 C ATOM 1845 CD1 ILE A 126 2.102 4.429 3.671 1.00 2.00 C ATOM 0 H ILE A 126 1.041 8.991 5.196 1.00 0.85 H new ATOM 0 HA ILE A 126 2.949 7.010 4.030 1.00 0.79 H new ATOM 0 HB ILE A 126 0.010 7.247 4.148 1.00 0.81 H new ATOM 0 HG12 ILE A 126 1.234 5.444 5.343 1.00 1.38 H new ATOM 0 HG13 ILE A 126 0.064 4.804 4.206 1.00 1.38 H new ATOM 0 HG21 ILE A 126 -0.404 5.972 2.079 1.00 1.31 H new ATOM 0 HG22 ILE A 126 0.213 7.618 1.799 1.00 1.31 H new ATOM 0 HG23 ILE A 126 1.298 6.219 1.620 1.00 1.31 H new ATOM 0 HD11 ILE A 126 2.119 3.472 4.193 1.00 2.00 H new ATOM 0 HD12 ILE A 126 1.886 4.263 2.616 1.00 2.00 H new ATOM 0 HD13 ILE A 126 3.073 4.913 3.770 1.00 2.00 H new ATOM 1857 N THR A 127 3.312 8.258 1.950 1.00 0.79 N ATOM 1858 CA THR A 127 3.836 9.097 0.868 1.00 0.87 C ATOM 1859 C THR A 127 3.631 8.382 -0.465 1.00 0.84 C ATOM 1860 O THR A 127 4.330 7.410 -0.764 1.00 1.17 O ATOM 1861 CB THR A 127 5.321 9.380 1.110 1.00 1.12 C ATOM 1862 OG1 THR A 127 5.528 9.831 2.430 1.00 1.69 O ATOM 1863 CG2 THR A 127 5.802 10.488 0.182 1.00 1.37 C ATOM 0 H THR A 127 3.721 7.324 1.963 1.00 0.79 H new ATOM 0 HA THR A 127 3.304 10.048 0.843 1.00 0.87 H new ATOM 0 HB THR A 127 5.866 8.454 0.929 1.00 1.12 H new ATOM 0 HG1 THR A 127 6.482 10.006 2.570 1.00 1.69 H new ATOM 0 HG21 THR A 127 6.859 10.681 0.363 1.00 1.37 H new ATOM 0 HG22 THR A 127 5.661 10.181 -0.854 1.00 1.37 H new ATOM 0 HG23 THR A 127 5.230 11.396 0.372 1.00 1.37 H new ATOM 1871 N LEU A 128 2.663 8.855 -1.250 1.00 0.71 N ATOM 1872 CA LEU A 128 2.489 8.442 -2.644 1.00 0.92 C ATOM 1873 C LEU A 128 3.282 9.353 -3.583 1.00 1.33 C ATOM 1874 O LEU A 128 3.864 10.354 -3.176 1.00 2.31 O ATOM 1875 CB LEU A 128 0.996 8.255 -2.992 1.00 1.13 C ATOM 1876 CG LEU A 128 0.072 9.485 -3.085 1.00 2.31 C ATOM 1877 CD1 LEU A 128 0.283 10.323 -4.359 1.00 4.18 C ATOM 1878 CD2 LEU A 128 -1.381 8.985 -3.096 1.00 2.52 C ATOM 0 H LEU A 128 1.974 9.539 -0.936 1.00 0.71 H new ATOM 0 HA LEU A 128 2.920 7.452 -2.792 1.00 0.92 H new ATOM 0 HB2 LEU A 128 0.948 7.739 -3.951 1.00 1.13 H new ATOM 0 HB3 LEU A 128 0.570 7.584 -2.247 1.00 1.13 H new ATOM 0 HG LEU A 128 0.302 10.123 -2.232 1.00 2.31 H new ATOM 0 HD11 LEU A 128 -0.402 11.171 -4.354 1.00 4.18 H new ATOM 0 HD12 LEU A 128 1.310 10.686 -4.390 1.00 4.18 H new ATOM 0 HD13 LEU A 128 0.090 9.706 -5.237 1.00 4.18 H new ATOM 0 HD21 LEU A 128 -2.058 9.837 -3.161 1.00 2.52 H new ATOM 0 HD22 LEU A 128 -1.535 8.332 -3.955 1.00 2.52 H new ATOM 0 HD23 LEU A 128 -1.582 8.431 -2.179 1.00 2.52 H new ATOM 1890 N LYS A 129 3.333 8.987 -4.859 1.00 0.99 N ATOM 1891 CA LYS A 129 4.169 9.601 -5.893 1.00 1.30 C ATOM 1892 C LYS A 129 3.629 9.164 -7.249 1.00 1.35 C ATOM 1893 O LYS A 129 3.702 7.986 -7.592 1.00 1.52 O ATOM 1894 CB LYS A 129 5.622 9.155 -5.649 1.00 1.60 C ATOM 1895 CG LYS A 129 6.588 9.461 -6.813 1.00 2.44 C ATOM 1896 CD LYS A 129 8.066 9.491 -6.387 1.00 2.84 C ATOM 1897 CE LYS A 129 8.537 8.236 -5.639 1.00 3.35 C ATOM 1898 NZ LYS A 129 9.411 7.370 -6.459 1.00 4.27 N ATOM 0 H LYS A 129 2.768 8.219 -5.221 1.00 0.99 H new ATOM 0 HA LYS A 129 4.149 10.690 -5.865 1.00 1.30 H new ATOM 0 HB2 LYS A 129 5.992 9.644 -4.748 1.00 1.60 H new ATOM 0 HB3 LYS A 129 5.632 8.082 -5.457 1.00 1.60 H new ATOM 0 HG2 LYS A 129 6.457 8.709 -7.592 1.00 2.44 H new ATOM 0 HG3 LYS A 129 6.324 10.423 -7.251 1.00 2.44 H new ATOM 0 HD2 LYS A 129 8.685 9.623 -7.275 1.00 2.84 H new ATOM 0 HD3 LYS A 129 8.230 10.361 -5.751 1.00 2.84 H new ATOM 0 HE2 LYS A 129 9.073 8.536 -4.739 1.00 3.35 H new ATOM 0 HE3 LYS A 129 7.667 7.664 -5.316 1.00 3.35 H new ATOM 0 HZ1 LYS A 129 9.697 6.539 -5.902 1.00 4.27 H new ATOM 0 HZ2 LYS A 129 8.894 7.058 -7.306 1.00 4.27 H new ATOM 0 HZ3 LYS A 129 10.257 7.903 -6.746 1.00 4.27 H new ATOM 1912 N ALA A 130 3.069 10.105 -8.008 1.00 1.41 N ATOM 1913 CA ALA A 130 2.660 9.796 -9.378 1.00 1.48 C ATOM 1914 C ALA A 130 3.874 9.392 -10.235 1.00 1.65 C ATOM 1915 O ALA A 130 4.960 9.939 -10.027 1.00 1.90 O ATOM 1916 CB ALA A 130 1.847 10.950 -9.970 1.00 1.77 C ATOM 0 H ALA A 130 2.891 11.064 -7.709 1.00 1.41 H new ATOM 0 HA ALA A 130 1.998 8.930 -9.370 1.00 1.48 H new ATOM 0 HB1 ALA A 130 1.552 10.702 -10.989 1.00 1.77 H new ATOM 0 HB2 ALA A 130 0.956 11.116 -9.364 1.00 1.77 H new ATOM 0 HB3 ALA A 130 2.454 11.856 -9.978 1.00 1.77 H new ATOM 1922 N THR A 131 3.642 8.476 -11.189 1.00 1.70 N ATOM 1923 CA THR A 131 4.599 7.927 -12.171 1.00 2.02 C ATOM 1924 C THR A 131 5.491 8.977 -12.827 1.00 2.53 C ATOM 1925 O THR A 131 6.645 8.695 -13.133 1.00 3.10 O ATOM 1926 CB THR A 131 3.834 7.169 -13.276 1.00 1.89 C ATOM 1927 OG1 THR A 131 2.678 7.892 -13.644 1.00 2.33 O ATOM 1928 CG2 THR A 131 3.377 5.785 -12.819 1.00 3.36 C ATOM 0 H THR A 131 2.714 8.068 -11.305 1.00 1.70 H new ATOM 0 HA THR A 131 5.253 7.262 -11.608 1.00 2.02 H new ATOM 0 HB THR A 131 4.524 7.061 -14.113 1.00 1.89 H new ATOM 0 HG1 THR A 131 2.198 7.406 -14.347 1.00 2.33 H new ATOM 0 HG21 THR A 131 2.844 5.291 -13.631 1.00 3.36 H new ATOM 0 HG22 THR A 131 4.246 5.189 -12.540 1.00 3.36 H new ATOM 0 HG23 THR A 131 2.715 5.886 -11.959 1.00 3.36 H new ATOM 1936 N ASP A 132 4.948 10.177 -13.022 1.00 2.53 N ATOM 1937 CA ASP A 132 5.581 11.340 -13.647 1.00 3.10 C ATOM 1938 C ASP A 132 5.008 12.638 -13.036 1.00 3.15 C ATOM 1939 O ASP A 132 4.536 13.540 -13.731 1.00 3.59 O ATOM 1940 CB ASP A 132 5.386 11.209 -15.166 1.00 3.56 C ATOM 1941 CG ASP A 132 6.144 12.249 -15.992 1.00 3.75 C ATOM 1942 OD1 ASP A 132 7.254 12.675 -15.593 1.00 4.60 O ATOM 1943 OD2 ASP A 132 5.630 12.568 -17.092 1.00 3.84 O ATOM 0 H ASP A 132 3.992 10.377 -12.729 1.00 2.53 H new ATOM 0 HA ASP A 132 6.653 11.385 -13.456 1.00 3.10 H new ATOM 0 HB2 ASP A 132 5.704 10.214 -15.476 1.00 3.56 H new ATOM 0 HB3 ASP A 132 4.323 11.288 -15.392 1.00 3.56 H new ATOM 1948 N GLY A 133 4.964 12.657 -11.695 1.00 3.03 N ATOM 1949 CA GLY A 133 4.529 13.799 -10.888 1.00 3.30 C ATOM 1950 C GLY A 133 5.608 14.269 -9.926 1.00 3.70 C ATOM 1951 O GLY A 133 6.716 14.586 -10.344 1.00 4.60 O ATOM 0 H GLY A 133 5.239 11.854 -11.130 1.00 3.03 H new ATOM 0 HA2 GLY A 133 4.249 14.621 -11.547 1.00 3.30 H new ATOM 0 HA3 GLY A 133 3.637 13.524 -10.325 1.00 3.30 H new ATOM 1955 N ARG A 134 5.263 14.372 -8.636 1.00 3.53 N ATOM 1956 CA ARG A 134 6.076 15.135 -7.661 1.00 4.16 C ATOM 1957 C ARG A 134 5.846 14.857 -6.163 1.00 4.31 C ATOM 1958 O ARG A 134 6.182 15.695 -5.323 1.00 5.37 O ATOM 1959 CB ARG A 134 6.007 16.644 -8.010 1.00 4.75 C ATOM 1960 CG ARG A 134 4.578 17.219 -7.908 1.00 4.73 C ATOM 1961 CD ARG A 134 4.409 18.559 -8.638 1.00 5.69 C ATOM 1962 NE ARG A 134 5.153 19.660 -8.003 1.00 6.87 N ATOM 1963 CZ ARG A 134 4.763 20.384 -6.956 1.00 7.77 C ATOM 1964 NH1 ARG A 134 3.638 20.189 -6.302 1.00 7.94 N ATOM 1965 NH2 ARG A 134 5.517 21.379 -6.555 1.00 8.98 N ATOM 0 H ARG A 134 4.429 13.940 -8.237 1.00 3.53 H new ATOM 0 HA ARG A 134 7.091 14.756 -7.782 1.00 4.16 H new ATOM 0 HB2 ARG A 134 6.665 17.197 -7.340 1.00 4.75 H new ATOM 0 HB3 ARG A 134 6.383 16.795 -9.022 1.00 4.75 H new ATOM 0 HG2 ARG A 134 3.873 16.497 -8.320 1.00 4.73 H new ATOM 0 HG3 ARG A 134 4.321 17.351 -6.857 1.00 4.73 H new ATOM 0 HD2 ARG A 134 4.744 18.449 -9.669 1.00 5.69 H new ATOM 0 HD3 ARG A 134 3.350 18.816 -8.673 1.00 5.69 H new ATOM 0 HE ARG A 134 6.060 19.892 -8.407 1.00 6.87 H new ATOM 0 HH11 ARG A 134 3.003 19.445 -6.590 1.00 7.94 H new ATOM 0 HH12 ARG A 134 3.401 20.782 -5.507 1.00 7.94 H new ATOM 0 HH21 ARG A 134 6.388 21.588 -7.044 1.00 8.98 H new ATOM 0 HH22 ARG A 134 5.233 21.944 -5.755 1.00 8.98 H new ATOM 1979 N THR A 135 5.330 13.649 -5.858 1.00 3.71 N ATOM 1980 CA THR A 135 5.193 13.054 -4.504 1.00 3.85 C ATOM 1981 C THR A 135 4.040 13.706 -3.721 1.00 2.31 C ATOM 1982 O THR A 135 3.629 14.808 -4.066 1.00 2.74 O ATOM 1983 CB THR A 135 6.533 13.134 -3.769 1.00 5.73 C ATOM 1984 OG1 THR A 135 7.516 12.522 -4.568 1.00 7.02 O ATOM 1985 CG2 THR A 135 6.590 12.437 -2.417 1.00 6.51 C ATOM 0 H THR A 135 4.978 13.026 -6.585 1.00 3.71 H new ATOM 0 HA THR A 135 4.930 12.000 -4.597 1.00 3.85 H new ATOM 0 HB THR A 135 6.690 14.198 -3.589 1.00 5.73 H new ATOM 0 HG1 THR A 135 8.382 12.566 -4.112 1.00 7.02 H new ATOM 0 HG21 THR A 135 7.584 12.558 -1.987 1.00 6.51 H new ATOM 0 HG22 THR A 135 5.850 12.878 -1.749 1.00 6.51 H new ATOM 0 HG23 THR A 135 6.377 11.376 -2.545 1.00 6.51 H new ATOM 1993 N LEU A 136 3.479 13.011 -2.719 1.00 1.54 N ATOM 1994 CA LEU A 136 2.314 13.453 -1.948 1.00 1.47 C ATOM 1995 C LEU A 136 2.142 12.732 -0.600 1.00 1.07 C ATOM 1996 O LEU A 136 1.928 11.526 -0.523 1.00 0.91 O ATOM 1997 CB LEU A 136 1.051 13.353 -2.828 1.00 3.05 C ATOM 1998 CG LEU A 136 0.051 14.525 -2.701 1.00 3.82 C ATOM 1999 CD1 LEU A 136 -1.174 14.230 -3.580 1.00 5.83 C ATOM 2000 CD2 LEU A 136 -0.406 14.825 -1.267 1.00 4.45 C ATOM 0 H LEU A 136 3.835 12.104 -2.418 1.00 1.54 H new ATOM 0 HA LEU A 136 2.483 14.494 -1.673 1.00 1.47 H new ATOM 0 HB2 LEU A 136 1.362 13.276 -3.870 1.00 3.05 H new ATOM 0 HB3 LEU A 136 0.531 12.427 -2.581 1.00 3.05 H new ATOM 0 HG LEU A 136 0.581 15.418 -3.032 1.00 3.82 H new ATOM 0 HD11 LEU A 136 -1.887 15.051 -3.498 1.00 5.83 H new ATOM 0 HD12 LEU A 136 -0.860 14.124 -4.618 1.00 5.83 H new ATOM 0 HD13 LEU A 136 -1.646 13.305 -3.248 1.00 5.83 H new ATOM 0 HD21 LEU A 136 -1.105 15.661 -1.275 1.00 4.45 H new ATOM 0 HD22 LEU A 136 -0.897 13.946 -0.850 1.00 4.45 H new ATOM 0 HD23 LEU A 136 0.459 15.082 -0.656 1.00 4.45 H new ATOM 2012 N ASN A 137 2.184 13.520 0.470 1.00 1.32 N ATOM 2013 CA ASN A 137 1.914 13.203 1.867 1.00 1.31 C ATOM 2014 C ASN A 137 0.400 13.009 2.071 1.00 1.37 C ATOM 2015 O ASN A 137 -0.377 13.964 2.070 1.00 1.80 O ATOM 2016 CB ASN A 137 2.484 14.339 2.748 1.00 1.61 C ATOM 2017 CG ASN A 137 2.157 15.753 2.243 1.00 2.40 C ATOM 2018 OD1 ASN A 137 2.619 16.182 1.197 1.00 3.77 O ATOM 2019 ND2 ASN A 137 1.351 16.529 2.940 1.00 2.82 N ATOM 0 H ASN A 137 2.436 14.503 0.367 1.00 1.32 H new ATOM 0 HA ASN A 137 2.399 12.270 2.156 1.00 1.31 H new ATOM 0 HB2 ASN A 137 2.095 14.228 3.760 1.00 1.61 H new ATOM 0 HB3 ASN A 137 3.567 14.228 2.808 1.00 1.61 H new ATOM 0 HD21 ASN A 137 1.126 17.465 2.602 1.00 2.82 H new ATOM 0 HD22 ASN A 137 0.952 16.194 3.817 1.00 2.82 H new ATOM 2026 N VAL A 138 -0.012 11.757 2.244 1.00 1.14 N ATOM 2027 CA VAL A 138 -1.424 11.322 2.338 1.00 1.33 C ATOM 2028 C VAL A 138 -1.668 10.560 3.649 1.00 1.26 C ATOM 2029 O VAL A 138 -0.806 9.856 4.161 1.00 1.29 O ATOM 2030 CB VAL A 138 -1.802 10.453 1.112 1.00 1.63 C ATOM 2031 CG1 VAL A 138 -3.236 9.897 1.189 1.00 1.89 C ATOM 2032 CG2 VAL A 138 -1.734 11.308 -0.168 1.00 1.96 C ATOM 0 H VAL A 138 0.643 10.980 2.327 1.00 1.14 H new ATOM 0 HA VAL A 138 -2.062 12.206 2.339 1.00 1.33 H new ATOM 0 HB VAL A 138 -1.095 9.623 1.101 1.00 1.63 H new ATOM 0 HG11 VAL A 138 -3.442 9.297 0.303 1.00 1.89 H new ATOM 0 HG12 VAL A 138 -3.338 9.276 2.079 1.00 1.89 H new ATOM 0 HG13 VAL A 138 -3.945 10.724 1.240 1.00 1.89 H new ATOM 0 HG21 VAL A 138 -2.000 10.695 -1.029 1.00 1.96 H new ATOM 0 HG22 VAL A 138 -2.432 12.142 -0.086 1.00 1.96 H new ATOM 0 HG23 VAL A 138 -0.722 11.693 -0.295 1.00 1.96 H new ATOM 2042 N ALA A 139 -2.845 10.745 4.228 1.00 1.43 N ATOM 2043 CA ALA A 139 -3.244 10.096 5.482 1.00 1.47 C ATOM 2044 C ALA A 139 -3.511 8.574 5.260 1.00 1.42 C ATOM 2045 O ALA A 139 -4.102 8.140 4.271 1.00 1.72 O ATOM 2046 CB ALA A 139 -4.520 10.788 5.991 1.00 2.05 C ATOM 0 H ALA A 139 -3.564 11.357 3.841 1.00 1.43 H new ATOM 0 HA ALA A 139 -2.442 10.187 6.215 1.00 1.47 H new ATOM 0 HB1 ALA A 139 -4.838 10.323 6.924 1.00 2.05 H new ATOM 0 HB2 ALA A 139 -4.317 11.845 6.163 1.00 2.05 H new ATOM 0 HB3 ALA A 139 -5.310 10.687 5.247 1.00 2.05 H new ATOM 2052 N ALA A 140 -3.079 7.782 6.230 1.00 1.29 N ATOM 2053 CA ALA A 140 -3.195 6.351 6.271 1.00 1.21 C ATOM 2054 C ALA A 140 -3.600 5.904 7.672 1.00 1.21 C ATOM 2055 O ALA A 140 -3.513 6.688 8.631 1.00 1.32 O ATOM 2056 CB ALA A 140 -1.878 5.724 5.825 1.00 1.08 C ATOM 0 H ALA A 140 -2.611 8.155 7.056 1.00 1.29 H new ATOM 0 HA ALA A 140 -3.973 6.016 5.586 1.00 1.21 H new ATOM 0 HB1 ALA A 140 -1.963 4.638 5.855 1.00 1.08 H new ATOM 0 HB2 ALA A 140 -1.650 6.042 4.808 1.00 1.08 H new ATOM 0 HB3 ALA A 140 -1.078 6.044 6.493 1.00 1.08 H new ATOM 2062 N THR A 141 -4.048 4.648 7.783 1.00 1.20 N ATOM 2063 CA THR A 141 -4.592 4.106 9.021 1.00 1.26 C ATOM 2064 C THR A 141 -4.122 2.689 9.246 1.00 1.26 C ATOM 2065 O THR A 141 -4.040 1.918 8.303 1.00 1.38 O ATOM 2066 CB THR A 141 -6.128 4.172 9.119 1.00 1.32 C ATOM 2067 OG1 THR A 141 -6.660 5.223 8.341 1.00 1.50 O ATOM 2068 CG2 THR A 141 -6.538 4.439 10.571 1.00 1.31 C ATOM 0 H THR A 141 -4.041 3.982 7.011 1.00 1.20 H new ATOM 0 HA THR A 141 -4.206 4.753 9.808 1.00 1.26 H new ATOM 0 HB THR A 141 -6.512 3.218 8.757 1.00 1.32 H new ATOM 0 HG1 THR A 141 -7.636 5.232 8.427 1.00 1.50 H new ATOM 0 HG21 THR A 141 -7.625 4.486 10.639 1.00 1.31 H new ATOM 0 HG22 THR A 141 -6.168 3.635 11.207 1.00 1.31 H new ATOM 0 HG23 THR A 141 -6.113 5.387 10.901 1.00 1.31 H new ATOM 2076 N VAL A 142 -3.863 2.312 10.489 1.00 1.25 N ATOM 2077 CA VAL A 142 -3.861 0.893 10.876 1.00 1.36 C ATOM 2078 C VAL A 142 -5.318 0.419 11.000 1.00 1.54 C ATOM 2079 O VAL A 142 -6.190 1.215 11.345 1.00 1.77 O ATOM 2080 CB VAL A 142 -3.150 0.711 12.231 1.00 1.57 C ATOM 2081 CG1 VAL A 142 -2.784 -0.749 12.489 1.00 2.07 C ATOM 2082 CG2 VAL A 142 -1.849 1.513 12.374 1.00 1.48 C ATOM 0 H VAL A 142 -3.652 2.958 11.249 1.00 1.25 H new ATOM 0 HA VAL A 142 -3.333 0.310 10.121 1.00 1.36 H new ATOM 0 HB VAL A 142 -3.880 1.079 12.951 1.00 1.57 H new ATOM 0 HG11 VAL A 142 -2.285 -0.834 13.454 1.00 2.07 H new ATOM 0 HG12 VAL A 142 -3.690 -1.356 12.494 1.00 2.07 H new ATOM 0 HG13 VAL A 142 -2.116 -1.101 11.703 1.00 2.07 H new ATOM 0 HG21 VAL A 142 -1.413 1.328 13.356 1.00 1.48 H new ATOM 0 HG22 VAL A 142 -1.145 1.205 11.601 1.00 1.48 H new ATOM 0 HG23 VAL A 142 -2.063 2.576 12.267 1.00 1.48 H new ATOM 2092 N LYS A 143 -5.610 -0.870 10.781 1.00 1.58 N ATOM 2093 CA LYS A 143 -6.953 -1.425 11.058 1.00 1.82 C ATOM 2094 C LYS A 143 -6.912 -2.953 11.298 1.00 1.97 C ATOM 2095 O LYS A 143 -7.463 -3.736 10.529 1.00 2.75 O ATOM 2096 CB LYS A 143 -7.905 -0.992 9.912 1.00 2.00 C ATOM 2097 CG LYS A 143 -9.405 -1.119 10.211 1.00 2.36 C ATOM 2098 CD LYS A 143 -10.213 -0.468 9.071 1.00 2.83 C ATOM 2099 CE LYS A 143 -11.725 -0.643 9.270 1.00 3.36 C ATOM 2100 NZ LYS A 143 -12.509 0.169 8.306 1.00 4.09 N ATOM 0 H LYS A 143 -4.943 -1.549 10.415 1.00 1.58 H new ATOM 0 HA LYS A 143 -7.342 -1.021 11.993 1.00 1.82 H new ATOM 0 HB2 LYS A 143 -7.690 0.046 9.658 1.00 2.00 H new ATOM 0 HB3 LYS A 143 -7.677 -1.590 9.029 1.00 2.00 H new ATOM 0 HG2 LYS A 143 -9.679 -2.169 10.312 1.00 2.36 H new ATOM 0 HG3 LYS A 143 -9.640 -0.636 11.159 1.00 2.36 H new ATOM 0 HD2 LYS A 143 -9.974 0.594 9.017 1.00 2.83 H new ATOM 0 HD3 LYS A 143 -9.918 -0.910 8.119 1.00 2.83 H new ATOM 0 HE2 LYS A 143 -11.987 -1.695 9.155 1.00 3.36 H new ATOM 0 HE3 LYS A 143 -11.993 -0.357 10.287 1.00 3.36 H new ATOM 0 HZ1 LYS A 143 -13.525 0.022 8.474 1.00 4.09 H new ATOM 0 HZ2 LYS A 143 -12.279 1.175 8.432 1.00 4.09 H new ATOM 0 HZ3 LYS A 143 -12.273 -0.121 7.335 1.00 4.09 H new ATOM 2114 N LYS A 144 -6.221 -3.375 12.366 1.00 1.65 N ATOM 2115 CA LYS A 144 -5.946 -4.773 12.794 1.00 1.73 C ATOM 2116 C LYS A 144 -4.693 -5.344 12.080 1.00 1.90 C ATOM 2117 O LYS A 144 -4.014 -4.629 11.338 1.00 3.36 O ATOM 2118 CB LYS A 144 -7.185 -5.711 12.704 1.00 3.27 C ATOM 2119 CG LYS A 144 -8.483 -5.193 13.374 1.00 4.01 C ATOM 2120 CD LYS A 144 -8.709 -5.623 14.835 1.00 4.43 C ATOM 2121 CE LYS A 144 -9.070 -7.113 14.938 1.00 5.44 C ATOM 2122 NZ LYS A 144 -9.569 -7.487 16.283 1.00 6.12 N ATOM 0 H LYS A 144 -5.803 -2.703 13.010 1.00 1.65 H new ATOM 0 HA LYS A 144 -5.717 -4.732 13.859 1.00 1.73 H new ATOM 0 HB2 LYS A 144 -7.395 -5.902 11.652 1.00 3.27 H new ATOM 0 HB3 LYS A 144 -6.924 -6.668 13.156 1.00 3.27 H new ATOM 0 HG2 LYS A 144 -8.479 -4.104 13.334 1.00 4.01 H new ATOM 0 HG3 LYS A 144 -9.333 -5.531 12.781 1.00 4.01 H new ATOM 0 HD2 LYS A 144 -7.808 -5.425 15.416 1.00 4.43 H new ATOM 0 HD3 LYS A 144 -9.508 -5.024 15.272 1.00 4.43 H new ATOM 0 HE2 LYS A 144 -9.830 -7.351 14.193 1.00 5.44 H new ATOM 0 HE3 LYS A 144 -8.192 -7.713 14.701 1.00 5.44 H new ATOM 0 HZ1 LYS A 144 -9.798 -8.501 16.299 1.00 6.12 H new ATOM 0 HZ2 LYS A 144 -8.836 -7.286 16.993 1.00 6.12 H new ATOM 0 HZ3 LYS A 144 -10.423 -6.936 16.502 1.00 6.12 H new ATOM 2136 N ASN A 145 -4.315 -6.590 12.399 1.00 1.99 N ATOM 2137 CA ASN A 145 -3.084 -7.269 11.956 1.00 3.47 C ATOM 2138 C ASN A 145 -3.348 -8.264 10.806 1.00 2.99 C ATOM 2139 O ASN A 145 -4.402 -8.891 10.755 1.00 3.09 O ATOM 2140 CB ASN A 145 -2.435 -8.007 13.153 1.00 5.37 C ATOM 2141 CG ASN A 145 -3.279 -9.154 13.725 1.00 6.16 C ATOM 2142 OD1 ASN A 145 -4.504 -9.092 13.772 1.00 5.85 O ATOM 2143 ND2 ASN A 145 -2.681 -10.249 14.153 1.00 7.68 N ATOM 0 H ASN A 145 -4.886 -7.182 13.002 1.00 1.99 H new ATOM 0 HA ASN A 145 -2.405 -6.505 11.576 1.00 3.47 H new ATOM 0 HB2 ASN A 145 -1.470 -8.404 12.839 1.00 5.37 H new ATOM 0 HB3 ASN A 145 -2.240 -7.285 13.946 1.00 5.37 H new ATOM 0 HD21 ASN A 145 -3.236 -11.025 14.515 1.00 7.68 H new ATOM 0 HD22 ASN A 145 -1.664 -10.320 14.122 1.00 7.68 H new ATOM 2150 N ILE A 146 -2.372 -8.471 9.910 1.00 3.58 N ATOM 2151 CA ILE A 146 -2.446 -9.473 8.807 1.00 4.04 C ATOM 2152 C ILE A 146 -1.065 -10.096 8.481 1.00 5.42 C ATOM 2153 O ILE A 146 -0.715 -10.309 7.319 1.00 7.12 O ATOM 2154 CB ILE A 146 -3.153 -8.931 7.524 1.00 4.12 C ATOM 2155 CG1 ILE A 146 -4.318 -7.936 7.758 1.00 4.53 C ATOM 2156 CG2 ILE A 146 -3.699 -10.137 6.725 1.00 5.09 C ATOM 2157 CD1 ILE A 146 -5.039 -7.483 6.483 1.00 5.68 C ATOM 0 H ILE A 146 -1.496 -7.949 9.920 1.00 3.58 H new ATOM 0 HA ILE A 146 -3.080 -10.274 9.187 1.00 4.04 H new ATOM 0 HB ILE A 146 -2.390 -8.364 6.991 1.00 4.12 H new ATOM 0 HG12 ILE A 146 -5.045 -8.399 8.425 1.00 4.53 H new ATOM 0 HG13 ILE A 146 -3.929 -7.057 8.271 1.00 4.53 H new ATOM 0 HG21 ILE A 146 -4.197 -9.781 5.824 1.00 5.09 H new ATOM 0 HG22 ILE A 146 -2.874 -10.794 6.448 1.00 5.09 H new ATOM 0 HG23 ILE A 146 -4.411 -10.688 7.339 1.00 5.09 H new ATOM 0 HD11 ILE A 146 -5.838 -6.789 6.744 1.00 5.68 H new ATOM 0 HD12 ILE A 146 -4.330 -6.987 5.821 1.00 5.68 H new ATOM 0 HD13 ILE A 146 -5.463 -8.350 5.977 1.00 5.68 H new ATOM 2169 N GLU A 147 -0.270 -10.391 9.515 1.00 4.99 N ATOM 2170 CA GLU A 147 0.999 -11.154 9.460 1.00 6.28 C ATOM 2171 C GLU A 147 1.535 -11.447 10.869 1.00 6.15 C ATOM 2172 O GLU A 147 1.916 -12.577 11.156 1.00 7.16 O ATOM 2173 CB GLU A 147 2.093 -10.456 8.614 1.00 7.47 C ATOM 2174 CG GLU A 147 3.401 -11.258 8.463 1.00 8.73 C ATOM 2175 CD GLU A 147 3.268 -12.479 7.548 1.00 9.66 C ATOM 2176 OE1 GLU A 147 2.520 -13.422 7.883 1.00 9.77 O ATOM 2177 OE2 GLU A 147 3.880 -12.483 6.463 1.00 10.62 O ATOM 0 H GLU A 147 -0.498 -10.093 10.464 1.00 4.99 H new ATOM 0 HA GLU A 147 0.758 -12.094 8.964 1.00 6.28 H new ATOM 0 HB2 GLU A 147 1.691 -10.253 7.621 1.00 7.47 H new ATOM 0 HB3 GLU A 147 2.324 -9.492 9.068 1.00 7.47 H new ATOM 0 HG2 GLU A 147 4.177 -10.602 8.069 1.00 8.73 H new ATOM 0 HG3 GLU A 147 3.732 -11.587 9.448 1.00 8.73 H new ATOM 2184 N GLY A 148 1.517 -10.462 11.776 1.00 5.23 N ATOM 2185 CA GLY A 148 1.786 -10.682 13.192 1.00 5.27 C ATOM 2186 C GLY A 148 0.574 -11.315 13.870 1.00 4.95 C ATOM 2187 O GLY A 148 -0.412 -11.675 13.224 1.00 5.69 O ATOM 0 H GLY A 148 1.314 -9.490 11.542 1.00 5.23 H new ATOM 0 HA2 GLY A 148 2.655 -11.330 13.308 1.00 5.27 H new ATOM 0 HA3 GLY A 148 2.028 -9.735 13.675 1.00 5.27 H new ATOM 2191 N ARG A 149 0.640 -11.400 15.194 1.00 4.56 N ATOM 2192 CA ARG A 149 -0.338 -12.093 16.062 1.00 5.23 C ATOM 2193 C ARG A 149 -0.866 -11.207 17.199 1.00 5.36 C ATOM 2194 O ARG A 149 -2.078 -11.257 17.470 1.00 6.06 O ATOM 2195 CB ARG A 149 0.234 -13.447 16.539 1.00 6.07 C ATOM 2196 CG ARG A 149 1.320 -13.329 17.622 1.00 6.63 C ATOM 2197 CD ARG A 149 1.940 -14.683 18.012 1.00 7.70 C ATOM 2198 NE ARG A 149 3.046 -15.112 17.128 1.00 9.14 N ATOM 2199 CZ ARG A 149 4.001 -15.963 17.456 1.00 10.42 C ATOM 2200 NH1 ARG A 149 4.060 -16.549 18.614 1.00 10.58 N ATOM 2201 NH2 ARG A 149 4.961 -16.260 16.632 1.00 11.86 N ATOM 2202 OXT ARG A 149 -0.071 -10.414 17.752 1.00 5.45 O ATOM 0 H ARG A 149 1.401 -10.976 15.724 1.00 4.56 H new ATOM 0 HA ARG A 149 -1.224 -12.311 15.465 1.00 5.23 H new ATOM 0 HB2 ARG A 149 -0.583 -14.057 16.925 1.00 6.07 H new ATOM 0 HB3 ARG A 149 0.649 -13.975 15.681 1.00 6.07 H new ATOM 0 HG2 ARG A 149 2.108 -12.665 17.266 1.00 6.63 H new ATOM 0 HG3 ARG A 149 0.890 -12.865 18.509 1.00 6.63 H new ATOM 0 HD2 ARG A 149 2.309 -14.621 19.036 1.00 7.70 H new ATOM 0 HD3 ARG A 149 1.161 -15.445 17.999 1.00 7.70 H new ATOM 0 HE ARG A 149 3.073 -14.718 16.188 1.00 9.14 H new ATOM 0 HH11 ARG A 149 3.347 -16.359 19.319 1.00 10.58 H new ATOM 0 HH12 ARG A 149 4.819 -17.199 18.819 1.00 10.58 H new ATOM 0 HH21 ARG A 149 4.989 -15.832 15.706 1.00 11.86 H new ATOM 0 HH22 ARG A 149 5.686 -16.921 16.911 1.00 11.86 H new TER 2216 ARG A 149