USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 642 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 112 SER OG : rot 180:sc= 0.103 USER MOD Set 1.2: A 113 HIS :FLIP no HE2:sc= 0.107 F(o=-0.94,f=0.21) USER MOD Set 2.1: A 82 GLN : amide:sc= 0.0188 X(o=-0.027,f=-0.26) USER MOD Set 2.2: A 147 MET CE :methyl 164:sc= -0.0459 (180deg=-0.37) USER MOD Set 3.1: A 77 THR OG1 : rot 71:sc= 0.719 USER MOD Set 3.2: A 142 SER OG : rot 180:sc= 0.635 USER MOD Single : A 79 LYS NZ :NH3+ -161:sc= -0.093 (180deg=-0.473) USER MOD Single : A 80 LYS NZ :NH3+ -123:sc= -0.507 (180deg=-1.03) USER MOD Single : A 85 LYS NZ :NH3+ 142:sc= -1.01 (180deg=-2.98!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.206 K(o=-0.21,f=-0.93) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -2.45! USER MOD Single : A 100 GLN : amide:sc= -0.0802 X(o=-0.08,f=-0.079) USER MOD Single : A 102 LYS NZ :NH3+ -133:sc= 0.115 (180deg=-0.798) USER MOD Single : A 103 GLN : amide:sc= -0.273 K(o=-0.27,f=-1.3!) USER MOD Single : A 104 HIS :FLIP no HE2:sc= 0.152 F(o=-0.57,f=0.15) USER MOD Single : A 107 SER OG : rot -83:sc= 0.666 USER MOD Single : A 110 LYS NZ :NH3+ -165:sc= 1.11 (180deg=0.763) USER MOD Single : A 115 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 118 LYS NZ :NH3+ 137:sc= -0.33 (180deg=-1.2!) USER MOD Single : A 122 LYS NZ :NH3+ 163:sc= -0.04 (180deg=-0.322) USER MOD Single : A 124 LYS NZ :NH3+ 168:sc= -0.012 (180deg=-0.177) USER MOD Single : A 127 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 129 ASN : amide:sc= 0.107 K(o=0.11,f=-4.5!) USER MOD Single : A 133 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 136 LYS NZ :NH3+ -168:sc= -0.0295 (180deg=-0.203) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : A 141 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 54 N LEU A 76 8.484 -3.237 -5.204 1.00 0.41 N ATOM 55 CA LEU A 76 7.609 -3.615 -4.106 1.00 0.29 C ATOM 56 C LEU A 76 6.451 -4.476 -4.603 1.00 0.23 C ATOM 57 O LEU A 76 5.678 -4.063 -5.470 1.00 0.28 O ATOM 58 CB LEU A 76 7.059 -2.376 -3.384 1.00 0.26 C ATOM 59 CG LEU A 76 8.097 -1.493 -2.675 1.00 0.35 C ATOM 60 CD1 LEU A 76 8.823 -0.593 -3.666 1.00 0.54 C ATOM 61 CD2 LEU A 76 7.435 -0.661 -1.586 1.00 0.27 C ATOM 0 HA LEU A 76 8.204 -4.195 -3.401 1.00 0.29 H new ATOM 0 HB2 LEU A 76 6.526 -1.763 -4.111 1.00 0.26 H new ATOM 0 HB3 LEU A 76 6.327 -2.705 -2.647 1.00 0.26 H new ATOM 0 HG LEU A 76 8.835 -2.148 -2.213 1.00 0.35 H new ATOM 0 HD11 LEU A 76 9.551 0.020 -3.135 1.00 0.54 H new ATOM 0 HD12 LEU A 76 9.336 -1.207 -4.406 1.00 0.54 H new ATOM 0 HD13 LEU A 76 8.102 0.053 -4.167 1.00 0.54 H new ATOM 0 HD21 LEU A 76 8.185 -0.042 -1.094 1.00 0.27 H new ATOM 0 HD22 LEU A 76 6.671 -0.022 -2.030 1.00 0.27 H new ATOM 0 HD23 LEU A 76 6.973 -1.322 -0.853 1.00 0.27 H new ATOM 73 N THR A 77 6.350 -5.676 -4.061 1.00 0.20 N ATOM 74 CA THR A 77 5.244 -6.566 -4.356 1.00 0.16 C ATOM 75 C THR A 77 4.223 -6.490 -3.232 1.00 0.16 C ATOM 76 O THR A 77 4.363 -7.152 -2.204 1.00 0.20 O ATOM 77 CB THR A 77 5.722 -8.021 -4.520 1.00 0.15 C ATOM 78 OG1 THR A 77 6.750 -8.085 -5.522 1.00 0.21 O ATOM 79 CG2 THR A 77 4.562 -8.934 -4.902 1.00 0.26 C ATOM 0 H THR A 77 7.031 -6.060 -3.406 1.00 0.20 H new ATOM 0 HA THR A 77 4.792 -6.250 -5.296 1.00 0.16 H new ATOM 0 HB THR A 77 6.125 -8.362 -3.567 1.00 0.15 H new ATOM 0 HG1 THR A 77 7.568 -7.668 -5.179 1.00 0.21 H new ATOM 0 HG21 THR A 77 4.924 -9.956 -5.012 1.00 0.26 H new ATOM 0 HG22 THR A 77 3.801 -8.901 -4.122 1.00 0.26 H new ATOM 0 HG23 THR A 77 4.130 -8.599 -5.845 1.00 0.26 H new ATOM 87 N LEU A 78 3.209 -5.672 -3.428 1.00 0.17 N ATOM 88 CA LEU A 78 2.225 -5.420 -2.394 1.00 0.20 C ATOM 89 C LEU A 78 1.176 -6.526 -2.390 1.00 0.18 C ATOM 90 O LEU A 78 0.263 -6.538 -3.220 1.00 0.20 O ATOM 91 CB LEU A 78 1.566 -4.054 -2.609 1.00 0.22 C ATOM 92 CG LEU A 78 2.525 -2.908 -2.955 1.00 0.30 C ATOM 93 CD1 LEU A 78 1.770 -1.594 -3.076 1.00 0.69 C ATOM 94 CD2 LEU A 78 3.629 -2.791 -1.916 1.00 0.72 C ATOM 0 H LEU A 78 3.044 -5.168 -4.299 1.00 0.17 H new ATOM 0 HA LEU A 78 2.725 -5.411 -1.426 1.00 0.20 H new ATOM 0 HB2 LEU A 78 0.832 -4.146 -3.410 1.00 0.22 H new ATOM 0 HB3 LEU A 78 1.019 -3.787 -1.705 1.00 0.22 H new ATOM 0 HG LEU A 78 2.984 -3.133 -3.917 1.00 0.30 H new ATOM 0 HD11 LEU A 78 2.469 -0.794 -3.322 1.00 0.69 H new ATOM 0 HD12 LEU A 78 1.021 -1.676 -3.863 1.00 0.69 H new ATOM 0 HD13 LEU A 78 1.279 -1.368 -2.130 1.00 0.69 H new ATOM 0 HD21 LEU A 78 4.296 -1.971 -2.184 1.00 0.72 H new ATOM 0 HD22 LEU A 78 3.189 -2.596 -0.938 1.00 0.72 H new ATOM 0 HD23 LEU A 78 4.195 -3.722 -1.880 1.00 0.72 H new ATOM 106 N LYS A 79 1.333 -7.467 -1.472 1.00 0.19 N ATOM 107 CA LYS A 79 0.423 -8.592 -1.365 1.00 0.19 C ATOM 108 C LYS A 79 -0.711 -8.271 -0.386 1.00 0.17 C ATOM 109 O LYS A 79 -0.468 -7.969 0.785 1.00 0.18 O ATOM 110 CB LYS A 79 1.206 -9.841 -0.936 1.00 0.29 C ATOM 111 CG LYS A 79 0.372 -11.116 -0.861 1.00 0.35 C ATOM 112 CD LYS A 79 -0.245 -11.337 0.515 1.00 0.88 C ATOM 113 CE LYS A 79 0.776 -11.819 1.541 1.00 0.97 C ATOM 114 NZ LYS A 79 1.406 -13.106 1.144 1.00 1.39 N ATOM 0 H LYS A 79 2.088 -7.471 -0.787 1.00 0.19 H new ATOM 0 HA LYS A 79 -0.033 -8.789 -2.335 1.00 0.19 H new ATOM 0 HB2 LYS A 79 2.026 -9.999 -1.637 1.00 0.29 H new ATOM 0 HB3 LYS A 79 1.653 -9.656 0.041 1.00 0.29 H new ATOM 0 HG2 LYS A 79 -0.421 -11.070 -1.607 1.00 0.35 H new ATOM 0 HG3 LYS A 79 0.999 -11.971 -1.115 1.00 0.35 H new ATOM 0 HD2 LYS A 79 -0.693 -10.406 0.863 1.00 0.88 H new ATOM 0 HD3 LYS A 79 -1.049 -12.068 0.436 1.00 0.88 H new ATOM 0 HE2 LYS A 79 1.549 -11.061 1.665 1.00 0.97 H new ATOM 0 HE3 LYS A 79 0.288 -11.938 2.508 1.00 0.97 H new ATOM 0 HZ1 LYS A 79 1.833 -13.556 1.979 1.00 1.39 H new ATOM 0 HZ2 LYS A 79 0.683 -13.737 0.743 1.00 1.39 H new ATOM 0 HZ3 LYS A 79 2.143 -12.927 0.432 1.00 1.39 H new ATOM 128 N LYS A 80 -1.945 -8.341 -0.876 1.00 0.20 N ATOM 129 CA LYS A 80 -3.120 -7.953 -0.102 1.00 0.20 C ATOM 130 C LYS A 80 -4.043 -9.142 0.146 1.00 0.26 C ATOM 131 O LYS A 80 -4.588 -9.725 -0.790 1.00 0.30 O ATOM 132 CB LYS A 80 -3.888 -6.862 -0.847 1.00 0.18 C ATOM 133 CG LYS A 80 -5.134 -6.379 -0.124 1.00 0.21 C ATOM 134 CD LYS A 80 -5.822 -5.276 -0.907 1.00 0.26 C ATOM 135 CE LYS A 80 -7.168 -4.926 -0.311 1.00 0.30 C ATOM 136 NZ LYS A 80 -7.827 -3.803 -1.032 1.00 0.40 N ATOM 0 H LYS A 80 -2.159 -8.667 -1.818 1.00 0.20 H new ATOM 0 HA LYS A 80 -2.779 -7.579 0.863 1.00 0.20 H new ATOM 0 HB2 LYS A 80 -3.224 -6.013 -1.012 1.00 0.18 H new ATOM 0 HB3 LYS A 80 -4.174 -7.239 -1.829 1.00 0.18 H new ATOM 0 HG2 LYS A 80 -5.822 -7.212 0.019 1.00 0.21 H new ATOM 0 HG3 LYS A 80 -4.865 -6.014 0.867 1.00 0.21 H new ATOM 0 HD2 LYS A 80 -5.188 -4.389 -0.921 1.00 0.26 H new ATOM 0 HD3 LYS A 80 -5.953 -5.591 -1.942 1.00 0.26 H new ATOM 0 HE2 LYS A 80 -7.815 -5.803 -0.339 1.00 0.30 H new ATOM 0 HE3 LYS A 80 -7.040 -4.657 0.738 1.00 0.30 H new ATOM 0 HZ1 LYS A 80 -8.034 -3.034 -0.363 1.00 0.40 H new ATOM 0 HZ2 LYS A 80 -7.194 -3.451 -1.779 1.00 0.40 H new ATOM 0 HZ3 LYS A 80 -8.714 -4.138 -1.459 1.00 0.40 H new ATOM 150 N ILE A 81 -4.238 -9.476 1.411 1.00 0.33 N ATOM 151 CA ILE A 81 -5.089 -10.596 1.793 1.00 0.42 C ATOM 152 C ILE A 81 -6.153 -10.165 2.797 1.00 0.42 C ATOM 153 O ILE A 81 -6.420 -10.853 3.782 1.00 0.46 O ATOM 154 CB ILE A 81 -4.258 -11.758 2.376 1.00 0.53 C ATOM 155 CG1 ILE A 81 -3.241 -11.241 3.402 1.00 0.51 C ATOM 156 CG2 ILE A 81 -3.562 -12.504 1.253 1.00 0.64 C ATOM 157 CD1 ILE A 81 -2.365 -12.321 4.001 1.00 0.63 C ATOM 0 H ILE A 81 -3.815 -8.984 2.198 1.00 0.33 H new ATOM 0 HA ILE A 81 -5.586 -10.944 0.888 1.00 0.42 H new ATOM 0 HB ILE A 81 -4.928 -12.446 2.892 1.00 0.53 H new ATOM 0 HG12 ILE A 81 -2.605 -10.496 2.924 1.00 0.51 H new ATOM 0 HG13 ILE A 81 -3.776 -10.735 4.205 1.00 0.51 H new ATOM 0 HG21 ILE A 81 -2.976 -13.324 1.669 1.00 0.64 H new ATOM 0 HG22 ILE A 81 -4.307 -12.903 0.565 1.00 0.64 H new ATOM 0 HG23 ILE A 81 -2.902 -11.822 0.717 1.00 0.64 H new ATOM 0 HD11 ILE A 81 -1.674 -11.874 4.716 1.00 0.63 H new ATOM 0 HD12 ILE A 81 -2.989 -13.055 4.510 1.00 0.63 H new ATOM 0 HD13 ILE A 81 -1.800 -12.812 3.209 1.00 0.63 H new ATOM 169 N GLN A 82 -6.763 -9.016 2.537 1.00 0.44 N ATOM 170 CA GLN A 82 -7.809 -8.498 3.404 1.00 0.47 C ATOM 171 C GLN A 82 -9.156 -8.456 2.684 1.00 0.49 C ATOM 172 O GLN A 82 -9.938 -9.400 2.774 1.00 0.54 O ATOM 173 CB GLN A 82 -7.415 -7.117 3.913 1.00 0.46 C ATOM 174 CG GLN A 82 -6.203 -7.151 4.826 1.00 0.47 C ATOM 175 CD GLN A 82 -6.495 -7.826 6.153 1.00 0.57 C ATOM 176 OE1 GLN A 82 -6.907 -7.176 7.113 1.00 1.22 O ATOM 177 NE2 GLN A 82 -6.292 -9.132 6.217 1.00 1.15 N ATOM 0 H GLN A 82 -6.550 -8.426 1.732 1.00 0.44 H new ATOM 0 HA GLN A 82 -7.921 -9.169 4.256 1.00 0.47 H new ATOM 0 HB2 GLN A 82 -7.206 -6.467 3.063 1.00 0.46 H new ATOM 0 HB3 GLN A 82 -8.256 -6.679 4.450 1.00 0.46 H new ATOM 0 HG2 GLN A 82 -5.390 -7.677 4.326 1.00 0.47 H new ATOM 0 HG3 GLN A 82 -5.860 -6.132 5.008 1.00 0.47 H new ATOM 0 HE21 GLN A 82 -5.949 -9.636 5.399 1.00 1.15 H new ATOM 0 HE22 GLN A 82 -6.478 -9.635 7.085 1.00 1.15 H new ATOM 186 N ALA A 83 -9.419 -7.373 1.956 1.00 0.46 N ATOM 187 CA ALA A 83 -10.637 -7.264 1.154 1.00 0.50 C ATOM 188 C ALA A 83 -10.506 -6.142 0.132 1.00 0.47 C ATOM 189 O ALA A 83 -10.029 -5.059 0.460 1.00 0.47 O ATOM 190 CB ALA A 83 -11.849 -7.027 2.043 1.00 0.60 C ATOM 0 H ALA A 83 -8.806 -6.559 1.904 1.00 0.46 H new ATOM 0 HA ALA A 83 -10.778 -8.205 0.623 1.00 0.50 H new ATOM 0 HB1 ALA A 83 -12.744 -6.949 1.425 1.00 0.60 H new ATOM 0 HB2 ALA A 83 -11.959 -7.860 2.738 1.00 0.60 H new ATOM 0 HB3 ALA A 83 -11.714 -6.102 2.604 1.00 0.60 H new ATOM 196 N PRO A 84 -10.881 -6.391 -1.136 1.00 0.48 N ATOM 197 CA PRO A 84 -11.339 -7.697 -1.612 1.00 0.48 C ATOM 198 C PRO A 84 -10.173 -8.622 -1.960 1.00 0.40 C ATOM 199 O PRO A 84 -10.359 -9.650 -2.607 1.00 0.39 O ATOM 200 CB PRO A 84 -12.149 -7.364 -2.877 1.00 0.53 C ATOM 201 CG PRO A 84 -12.105 -5.873 -3.020 1.00 0.77 C ATOM 202 CD PRO A 84 -10.928 -5.406 -2.215 1.00 0.54 C ATOM 0 HA PRO A 84 -11.915 -8.225 -0.852 1.00 0.48 H new ATOM 0 HB2 PRO A 84 -11.721 -7.852 -3.753 1.00 0.53 H new ATOM 0 HB3 PRO A 84 -13.176 -7.716 -2.786 1.00 0.53 H new ATOM 0 HG2 PRO A 84 -11.999 -5.586 -4.066 1.00 0.77 H new ATOM 0 HG3 PRO A 84 -13.028 -5.420 -2.657 1.00 0.77 H new ATOM 0 HD2 PRO A 84 -10.010 -5.401 -2.802 1.00 0.54 H new ATOM 0 HD3 PRO A 84 -11.070 -4.394 -1.836 1.00 0.54 H new ATOM 210 N LYS A 85 -8.972 -8.221 -1.525 1.00 0.35 N ATOM 211 CA LYS A 85 -7.744 -9.015 -1.682 1.00 0.30 C ATOM 212 C LYS A 85 -7.227 -8.997 -3.123 1.00 0.27 C ATOM 213 O LYS A 85 -8.006 -8.993 -4.075 1.00 0.31 O ATOM 214 CB LYS A 85 -7.955 -10.461 -1.218 1.00 0.34 C ATOM 215 CG LYS A 85 -8.503 -10.580 0.198 1.00 0.41 C ATOM 216 CD LYS A 85 -8.568 -12.029 0.670 1.00 0.50 C ATOM 217 CE LYS A 85 -9.782 -12.778 0.122 1.00 1.33 C ATOM 218 NZ LYS A 85 -9.702 -13.026 -1.344 1.00 1.96 N ATOM 0 H LYS A 85 -8.823 -7.330 -1.051 1.00 0.35 H new ATOM 0 HA LYS A 85 -6.989 -8.549 -1.049 1.00 0.30 H new ATOM 0 HB2 LYS A 85 -8.641 -10.957 -1.905 1.00 0.34 H new ATOM 0 HB3 LYS A 85 -7.005 -10.993 -1.276 1.00 0.34 H new ATOM 0 HG2 LYS A 85 -7.874 -10.006 0.879 1.00 0.41 H new ATOM 0 HG3 LYS A 85 -9.500 -10.141 0.238 1.00 0.41 H new ATOM 0 HD2 LYS A 85 -7.659 -12.547 0.364 1.00 0.50 H new ATOM 0 HD3 LYS A 85 -8.595 -12.050 1.759 1.00 0.50 H new ATOM 0 HE2 LYS A 85 -9.878 -13.732 0.641 1.00 1.33 H new ATOM 0 HE3 LYS A 85 -10.683 -12.205 0.339 1.00 1.33 H new ATOM 0 HZ1 LYS A 85 -10.091 -13.966 -1.559 1.00 1.96 H new ATOM 0 HZ2 LYS A 85 -10.250 -12.301 -1.849 1.00 1.96 H new ATOM 0 HZ3 LYS A 85 -8.709 -12.984 -1.649 1.00 1.96 H new ATOM 232 N PHE A 86 -5.902 -8.982 -3.258 1.00 0.24 N ATOM 233 CA PHE A 86 -5.227 -8.999 -4.556 1.00 0.23 C ATOM 234 C PHE A 86 -3.717 -9.004 -4.341 1.00 0.22 C ATOM 235 O PHE A 86 -3.248 -9.060 -3.207 1.00 0.24 O ATOM 236 CB PHE A 86 -5.633 -7.799 -5.440 1.00 0.26 C ATOM 237 CG PHE A 86 -5.359 -6.429 -4.858 1.00 0.25 C ATOM 238 CD1 PHE A 86 -4.062 -6.032 -4.583 1.00 0.27 C ATOM 239 CD2 PHE A 86 -6.394 -5.553 -4.565 1.00 0.30 C ATOM 240 CE1 PHE A 86 -3.802 -4.792 -4.031 1.00 0.30 C ATOM 241 CE2 PHE A 86 -6.139 -4.312 -4.020 1.00 0.32 C ATOM 242 CZ PHE A 86 -4.870 -3.893 -3.826 1.00 0.28 C ATOM 0 H PHE A 86 -5.262 -8.958 -2.465 1.00 0.24 H new ATOM 0 HA PHE A 86 -5.533 -9.904 -5.081 1.00 0.23 H new ATOM 0 HB2 PHE A 86 -5.109 -7.880 -6.392 1.00 0.26 H new ATOM 0 HB3 PHE A 86 -6.699 -7.875 -5.655 1.00 0.26 H new ATOM 0 HD1 PHE A 86 -3.242 -6.700 -4.803 1.00 0.27 H new ATOM 0 HD2 PHE A 86 -7.414 -5.847 -4.766 1.00 0.30 H new ATOM 0 HE1 PHE A 86 -2.794 -4.515 -3.760 1.00 0.30 H new ATOM 0 HE2 PHE A 86 -6.962 -3.669 -3.746 1.00 0.32 H new ATOM 0 HZ PHE A 86 -4.674 -2.877 -3.516 1.00 0.28 H new ATOM 252 N SER A 87 -2.957 -8.961 -5.420 1.00 0.22 N ATOM 253 CA SER A 87 -1.512 -8.811 -5.330 1.00 0.24 C ATOM 254 C SER A 87 -1.010 -7.969 -6.494 1.00 0.23 C ATOM 255 O SER A 87 -1.316 -8.252 -7.653 1.00 0.31 O ATOM 256 CB SER A 87 -0.831 -10.181 -5.306 1.00 0.34 C ATOM 257 OG SER A 87 -1.272 -10.936 -4.187 1.00 1.32 O ATOM 0 H SER A 87 -3.316 -9.028 -6.373 1.00 0.22 H new ATOM 0 HA SER A 87 -1.262 -8.301 -4.400 1.00 0.24 H new ATOM 0 HB2 SER A 87 -1.054 -10.720 -6.227 1.00 0.34 H new ATOM 0 HB3 SER A 87 0.251 -10.055 -5.264 1.00 0.34 H new ATOM 0 HG SER A 87 -0.829 -11.810 -4.187 1.00 1.32 H new ATOM 263 N ILE A 88 -0.265 -6.918 -6.180 1.00 0.18 N ATOM 264 CA ILE A 88 0.169 -5.959 -7.188 1.00 0.19 C ATOM 265 C ILE A 88 1.675 -5.734 -7.128 1.00 0.21 C ATOM 266 O ILE A 88 2.261 -5.654 -6.048 1.00 0.38 O ATOM 267 CB ILE A 88 -0.550 -4.601 -7.011 1.00 0.20 C ATOM 268 CG1 ILE A 88 -0.379 -4.095 -5.575 1.00 0.18 C ATOM 269 CG2 ILE A 88 -2.024 -4.727 -7.371 1.00 0.20 C ATOM 270 CD1 ILE A 88 -1.045 -2.763 -5.300 1.00 0.21 C ATOM 0 H ILE A 88 0.052 -6.707 -5.234 1.00 0.18 H new ATOM 0 HA ILE A 88 -0.090 -6.381 -8.159 1.00 0.19 H new ATOM 0 HB ILE A 88 -0.099 -3.874 -7.687 1.00 0.20 H new ATOM 0 HG12 ILE A 88 -0.784 -4.839 -4.889 1.00 0.18 H new ATOM 0 HG13 ILE A 88 0.685 -4.008 -5.357 1.00 0.18 H new ATOM 0 HG21 ILE A 88 -2.514 -3.762 -7.241 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.119 -5.045 -8.409 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -2.496 -5.464 -6.721 1.00 0.20 H new ATOM 0 HD11 ILE A 88 -0.875 -2.479 -4.262 1.00 0.21 H new ATOM 0 HD12 ILE A 88 -0.624 -2.003 -5.958 1.00 0.21 H new ATOM 0 HD13 ILE A 88 -2.116 -2.847 -5.482 1.00 0.21 H new ATOM 282 N GLU A 89 2.300 -5.630 -8.289 1.00 0.21 N ATOM 283 CA GLU A 89 3.721 -5.339 -8.362 1.00 0.25 C ATOM 284 C GLU A 89 3.931 -3.897 -8.798 1.00 0.24 C ATOM 285 O GLU A 89 3.536 -3.510 -9.894 1.00 0.33 O ATOM 286 CB GLU A 89 4.424 -6.279 -9.344 1.00 0.30 C ATOM 287 CG GLU A 89 4.311 -7.749 -8.981 1.00 1.02 C ATOM 288 CD GLU A 89 5.130 -8.635 -9.896 1.00 1.07 C ATOM 289 OE1 GLU A 89 4.682 -8.902 -11.029 1.00 1.45 O ATOM 290 OE2 GLU A 89 6.227 -9.071 -9.492 1.00 0.93 O ATOM 0 H GLU A 89 1.845 -5.743 -9.195 1.00 0.21 H new ATOM 0 HA GLU A 89 4.151 -5.490 -7.372 1.00 0.25 H new ATOM 0 HB2 GLU A 89 4.005 -6.128 -10.339 1.00 0.30 H new ATOM 0 HB3 GLU A 89 5.479 -6.009 -9.398 1.00 0.30 H new ATOM 0 HG2 GLU A 89 4.640 -7.892 -7.952 1.00 1.02 H new ATOM 0 HG3 GLU A 89 3.265 -8.052 -9.027 1.00 1.02 H new ATOM 297 N HIS A 90 4.540 -3.102 -7.935 1.00 0.24 N ATOM 298 CA HIS A 90 4.813 -1.708 -8.254 1.00 0.28 C ATOM 299 C HIS A 90 6.249 -1.349 -7.912 1.00 0.33 C ATOM 300 O HIS A 90 6.820 -1.874 -6.959 1.00 0.44 O ATOM 301 CB HIS A 90 3.861 -0.766 -7.507 1.00 0.36 C ATOM 302 CG HIS A 90 2.530 -0.577 -8.171 1.00 1.10 C ATOM 303 ND1 HIS A 90 2.324 0.340 -9.175 1.00 1.86 N ATOM 304 CD2 HIS A 90 1.328 -1.163 -7.948 1.00 1.51 C ATOM 305 CE1 HIS A 90 1.056 0.313 -9.540 1.00 2.42 C ATOM 306 NE2 HIS A 90 0.426 -0.588 -8.811 1.00 2.20 N ATOM 0 H HIS A 90 4.855 -3.395 -7.010 1.00 0.24 H new ATOM 0 HA HIS A 90 4.655 -1.585 -9.326 1.00 0.28 H new ATOM 0 HB2 HIS A 90 3.700 -1.154 -6.501 1.00 0.36 H new ATOM 0 HB3 HIS A 90 4.341 0.207 -7.400 1.00 0.36 H new ATOM 0 HD2 HIS A 90 1.118 -1.938 -7.226 1.00 1.51 H new ATOM 0 HE1 HIS A 90 0.609 0.927 -10.308 1.00 2.42 H new ATOM 0 HE2 HIS A 90 -0.565 -0.819 -8.877 1.00 2.20 H new ATOM 315 N ASP A 91 6.833 -0.464 -8.697 1.00 0.39 N ATOM 316 CA ASP A 91 8.162 0.045 -8.401 1.00 0.47 C ATOM 317 C ASP A 91 8.083 1.534 -8.102 1.00 0.45 C ATOM 318 O ASP A 91 7.288 2.262 -8.709 1.00 0.54 O ATOM 319 CB ASP A 91 9.139 -0.219 -9.554 1.00 0.65 C ATOM 320 CG ASP A 91 8.847 0.604 -10.795 1.00 1.18 C ATOM 321 OD1 ASP A 91 8.001 0.178 -11.612 1.00 1.83 O ATOM 322 OD2 ASP A 91 9.473 1.671 -10.968 1.00 1.73 O ATOM 0 H ASP A 91 6.411 -0.082 -9.543 1.00 0.39 H new ATOM 0 HA ASP A 91 8.542 -0.482 -7.526 1.00 0.47 H new ATOM 0 HB2 ASP A 91 10.153 -0.006 -9.216 1.00 0.65 H new ATOM 0 HB3 ASP A 91 9.105 -1.277 -9.813 1.00 0.65 H new ATOM 327 N PHE A 92 8.877 1.972 -7.142 1.00 0.40 N ATOM 328 CA PHE A 92 8.899 3.368 -6.736 1.00 0.43 C ATOM 329 C PHE A 92 10.329 3.800 -6.475 1.00 0.43 C ATOM 330 O PHE A 92 11.169 2.990 -6.084 1.00 0.45 O ATOM 331 CB PHE A 92 8.042 3.586 -5.484 1.00 0.44 C ATOM 332 CG PHE A 92 6.567 3.394 -5.715 1.00 0.55 C ATOM 333 CD1 PHE A 92 5.787 4.428 -6.207 1.00 0.83 C ATOM 334 CD2 PHE A 92 5.962 2.178 -5.438 1.00 0.53 C ATOM 335 CE1 PHE A 92 4.434 4.252 -6.419 1.00 0.97 C ATOM 336 CE2 PHE A 92 4.608 1.998 -5.648 1.00 0.68 C ATOM 337 CZ PHE A 92 3.842 3.045 -6.145 1.00 0.85 C ATOM 0 H PHE A 92 9.522 1.375 -6.624 1.00 0.40 H new ATOM 0 HA PHE A 92 8.481 3.972 -7.541 1.00 0.43 H new ATOM 0 HB2 PHE A 92 8.371 2.897 -4.706 1.00 0.44 H new ATOM 0 HB3 PHE A 92 8.213 4.595 -5.109 1.00 0.44 H new ATOM 0 HD1 PHE A 92 6.242 5.382 -6.427 1.00 0.83 H new ATOM 0 HD2 PHE A 92 6.556 1.362 -5.054 1.00 0.53 H new ATOM 0 HE1 PHE A 92 3.839 5.068 -6.802 1.00 0.97 H new ATOM 0 HE2 PHE A 92 4.147 1.047 -5.427 1.00 0.68 H new ATOM 0 HZ PHE A 92 2.784 2.909 -6.315 1.00 0.85 H new ATOM 347 N SER A 93 10.608 5.067 -6.719 1.00 0.48 N ATOM 348 CA SER A 93 11.951 5.593 -6.578 1.00 0.49 C ATOM 349 C SER A 93 12.342 5.696 -5.104 1.00 0.42 C ATOM 350 O SER A 93 11.484 5.946 -4.264 1.00 0.42 O ATOM 351 CB SER A 93 12.032 6.959 -7.255 1.00 0.63 C ATOM 352 OG SER A 93 11.501 6.901 -8.572 1.00 0.81 O ATOM 0 H SER A 93 9.916 5.754 -7.018 1.00 0.48 H new ATOM 0 HA SER A 93 12.653 4.912 -7.059 1.00 0.49 H new ATOM 0 HB2 SER A 93 11.482 7.694 -6.668 1.00 0.63 H new ATOM 0 HB3 SER A 93 13.069 7.292 -7.290 1.00 0.63 H new ATOM 0 HG SER A 93 11.560 7.786 -8.988 1.00 0.81 H new ATOM 358 N PRO A 94 13.622 5.484 -4.760 1.00 0.46 N ATOM 359 CA PRO A 94 14.064 5.427 -3.360 1.00 0.51 C ATOM 360 C PRO A 94 13.600 6.622 -2.522 1.00 0.52 C ATOM 361 O PRO A 94 13.120 6.454 -1.403 1.00 0.73 O ATOM 362 CB PRO A 94 15.597 5.402 -3.456 1.00 0.71 C ATOM 363 CG PRO A 94 15.919 5.723 -4.880 1.00 0.67 C ATOM 364 CD PRO A 94 14.737 5.280 -5.688 1.00 0.57 C ATOM 0 HA PRO A 94 13.638 4.560 -2.854 1.00 0.51 H new ATOM 0 HB2 PRO A 94 16.043 6.131 -2.780 1.00 0.71 H new ATOM 0 HB3 PRO A 94 15.991 4.425 -3.176 1.00 0.71 H new ATOM 0 HG2 PRO A 94 16.099 6.791 -5.007 1.00 0.67 H new ATOM 0 HG3 PRO A 94 16.824 5.207 -5.200 1.00 0.67 H new ATOM 0 HD2 PRO A 94 14.622 5.872 -6.596 1.00 0.57 H new ATOM 0 HD3 PRO A 94 14.823 4.238 -5.995 1.00 0.57 H new ATOM 372 N SER A 95 13.700 7.823 -3.066 1.00 0.47 N ATOM 373 CA SER A 95 13.343 9.012 -2.309 1.00 0.51 C ATOM 374 C SER A 95 11.860 9.341 -2.432 1.00 0.44 C ATOM 375 O SER A 95 11.412 10.406 -2.006 1.00 0.49 O ATOM 376 CB SER A 95 14.188 10.199 -2.748 1.00 0.62 C ATOM 377 OG SER A 95 15.565 9.948 -2.513 1.00 0.89 O ATOM 0 H SER A 95 14.021 8.001 -4.018 1.00 0.47 H new ATOM 0 HA SER A 95 13.546 8.802 -1.259 1.00 0.51 H new ATOM 0 HB2 SER A 95 14.025 10.396 -3.808 1.00 0.62 H new ATOM 0 HB3 SER A 95 13.878 11.093 -2.206 1.00 0.62 H new ATOM 0 HG SER A 95 16.093 10.721 -2.803 1.00 0.89 H new ATOM 383 N ASP A 96 11.102 8.428 -3.011 1.00 0.36 N ATOM 384 CA ASP A 96 9.662 8.580 -3.085 1.00 0.33 C ATOM 385 C ASP A 96 9.070 8.096 -1.769 1.00 0.26 C ATOM 386 O ASP A 96 9.687 7.286 -1.072 1.00 0.24 O ATOM 387 CB ASP A 96 9.103 7.780 -4.265 1.00 0.35 C ATOM 388 CG ASP A 96 7.864 8.406 -4.870 1.00 0.80 C ATOM 389 OD1 ASP A 96 7.793 9.651 -4.936 1.00 1.37 O ATOM 390 OD2 ASP A 96 6.942 7.653 -5.256 1.00 1.23 O ATOM 0 H ASP A 96 11.460 7.573 -3.437 1.00 0.36 H new ATOM 0 HA ASP A 96 9.398 9.625 -3.245 1.00 0.33 H new ATOM 0 HB2 ASP A 96 9.871 7.692 -5.033 1.00 0.35 H new ATOM 0 HB3 ASP A 96 8.867 6.769 -3.932 1.00 0.35 H new ATOM 395 N THR A 97 7.908 8.601 -1.402 1.00 0.28 N ATOM 396 CA THR A 97 7.340 8.270 -0.109 1.00 0.22 C ATOM 397 C THR A 97 6.262 7.207 -0.224 1.00 0.19 C ATOM 398 O THR A 97 5.652 7.026 -1.280 1.00 0.23 O ATOM 399 CB THR A 97 6.745 9.509 0.590 1.00 0.25 C ATOM 400 OG1 THR A 97 5.784 10.145 -0.259 1.00 0.32 O ATOM 401 CG2 THR A 97 7.836 10.499 0.966 1.00 0.31 C ATOM 0 H THR A 97 7.345 9.233 -1.971 1.00 0.28 H new ATOM 0 HA THR A 97 8.163 7.883 0.491 1.00 0.22 H new ATOM 0 HB THR A 97 6.251 9.176 1.503 1.00 0.25 H new ATOM 0 HG1 THR A 97 5.413 10.929 0.197 1.00 0.32 H new ATOM 0 HG21 THR A 97 7.389 11.363 1.457 1.00 0.31 H new ATOM 0 HG22 THR A 97 8.543 10.021 1.644 1.00 0.31 H new ATOM 0 HG23 THR A 97 8.359 10.823 0.066 1.00 0.31 H new ATOM 409 N ILE A 98 6.038 6.507 0.877 1.00 0.17 N ATOM 410 CA ILE A 98 4.940 5.561 0.992 1.00 0.18 C ATOM 411 C ILE A 98 3.610 6.264 0.704 1.00 0.18 C ATOM 412 O ILE A 98 2.662 5.654 0.216 1.00 0.20 O ATOM 413 CB ILE A 98 4.925 4.922 2.407 1.00 0.18 C ATOM 414 CG1 ILE A 98 6.184 4.082 2.638 1.00 0.19 C ATOM 415 CG2 ILE A 98 3.690 4.068 2.620 1.00 0.24 C ATOM 416 CD1 ILE A 98 6.307 2.896 1.707 1.00 0.22 C ATOM 0 H ILE A 98 6.613 6.579 1.716 1.00 0.17 H new ATOM 0 HA ILE A 98 5.080 4.767 0.259 1.00 0.18 H new ATOM 0 HB ILE A 98 4.904 5.738 3.129 1.00 0.18 H new ATOM 0 HG12 ILE A 98 7.061 4.718 2.518 1.00 0.19 H new ATOM 0 HG13 ILE A 98 6.187 3.725 3.668 1.00 0.19 H new ATOM 0 HG21 ILE A 98 3.714 3.637 3.621 1.00 0.24 H new ATOM 0 HG22 ILE A 98 2.798 4.685 2.512 1.00 0.24 H new ATOM 0 HG23 ILE A 98 3.669 3.267 1.881 1.00 0.24 H new ATOM 0 HD11 ILE A 98 7.223 2.350 1.932 1.00 0.22 H new ATOM 0 HD12 ILE A 98 5.450 2.237 1.842 1.00 0.22 H new ATOM 0 HD13 ILE A 98 6.337 3.245 0.675 1.00 0.22 H new ATOM 428 N LEU A 99 3.568 7.567 0.976 1.00 0.19 N ATOM 429 CA LEU A 99 2.384 8.377 0.710 1.00 0.21 C ATOM 430 C LEU A 99 2.106 8.405 -0.785 1.00 0.20 C ATOM 431 O LEU A 99 0.953 8.349 -1.212 1.00 0.21 O ATOM 432 CB LEU A 99 2.584 9.798 1.264 1.00 0.27 C ATOM 433 CG LEU A 99 1.325 10.672 1.359 1.00 0.36 C ATOM 434 CD1 LEU A 99 1.511 11.743 2.421 1.00 0.71 C ATOM 435 CD2 LEU A 99 1.010 11.330 0.023 1.00 0.64 C ATOM 0 H LEU A 99 4.346 8.086 1.383 1.00 0.19 H new ATOM 0 HA LEU A 99 1.522 7.937 1.211 1.00 0.21 H new ATOM 0 HB2 LEU A 99 3.022 9.719 2.259 1.00 0.27 H new ATOM 0 HB3 LEU A 99 3.311 10.312 0.635 1.00 0.27 H new ATOM 0 HG LEU A 99 0.490 10.027 1.632 1.00 0.36 H new ATOM 0 HD11 LEU A 99 0.612 12.357 2.480 1.00 0.71 H new ATOM 0 HD12 LEU A 99 1.692 11.271 3.387 1.00 0.71 H new ATOM 0 HD13 LEU A 99 2.363 12.371 2.159 1.00 0.71 H new ATOM 0 HD21 LEU A 99 0.114 11.942 0.121 1.00 0.64 H new ATOM 0 HD22 LEU A 99 1.848 11.959 -0.279 1.00 0.64 H new ATOM 0 HD23 LEU A 99 0.843 10.561 -0.731 1.00 0.64 H new ATOM 447 N GLN A 100 3.170 8.455 -1.577 1.00 0.20 N ATOM 448 CA GLN A 100 3.036 8.438 -3.025 1.00 0.21 C ATOM 449 C GLN A 100 2.485 7.093 -3.481 1.00 0.15 C ATOM 450 O GLN A 100 1.670 7.024 -4.398 1.00 0.13 O ATOM 451 CB GLN A 100 4.383 8.697 -3.699 1.00 0.29 C ATOM 452 CG GLN A 100 5.059 9.989 -3.271 1.00 0.39 C ATOM 453 CD GLN A 100 4.182 11.209 -3.458 1.00 0.45 C ATOM 454 OE1 GLN A 100 4.155 11.812 -4.531 1.00 0.70 O ATOM 455 NE2 GLN A 100 3.479 11.596 -2.407 1.00 0.53 N ATOM 0 H GLN A 100 4.132 8.507 -1.241 1.00 0.20 H new ATOM 0 HA GLN A 100 2.345 9.230 -3.313 1.00 0.21 H new ATOM 0 HB2 GLN A 100 5.050 7.863 -3.483 1.00 0.29 H new ATOM 0 HB3 GLN A 100 4.238 8.717 -4.779 1.00 0.29 H new ATOM 0 HG2 GLN A 100 5.345 9.912 -2.222 1.00 0.39 H new ATOM 0 HG3 GLN A 100 5.978 10.118 -3.843 1.00 0.39 H new ATOM 0 HE21 GLN A 100 3.530 11.067 -1.536 1.00 0.53 H new ATOM 0 HE22 GLN A 100 2.885 12.423 -2.467 1.00 0.53 H new ATOM 464 N ILE A 101 2.938 6.028 -2.824 1.00 0.13 N ATOM 465 CA ILE A 101 2.448 4.681 -3.100 1.00 0.12 C ATOM 466 C ILE A 101 0.969 4.580 -2.753 1.00 0.10 C ATOM 467 O ILE A 101 0.170 4.040 -3.515 1.00 0.11 O ATOM 468 CB ILE A 101 3.221 3.619 -2.285 1.00 0.15 C ATOM 469 CG1 ILE A 101 4.723 3.724 -2.557 1.00 0.17 C ATOM 470 CG2 ILE A 101 2.710 2.221 -2.610 1.00 0.20 C ATOM 471 CD1 ILE A 101 5.542 2.669 -1.848 1.00 0.21 C ATOM 0 H ILE A 101 3.648 6.073 -2.093 1.00 0.13 H new ATOM 0 HA ILE A 101 2.601 4.490 -4.162 1.00 0.12 H new ATOM 0 HB ILE A 101 3.052 3.806 -1.225 1.00 0.15 H new ATOM 0 HG12 ILE A 101 4.896 3.645 -3.630 1.00 0.17 H new ATOM 0 HG13 ILE A 101 5.071 4.710 -2.249 1.00 0.17 H new ATOM 0 HG21 ILE A 101 3.265 1.486 -2.027 1.00 0.20 H new ATOM 0 HG22 ILE A 101 1.650 2.154 -2.363 1.00 0.20 H new ATOM 0 HG23 ILE A 101 2.848 2.021 -3.673 1.00 0.20 H new ATOM 0 HD11 ILE A 101 6.597 2.805 -2.087 1.00 0.21 H new ATOM 0 HD12 ILE A 101 5.399 2.760 -0.771 1.00 0.21 H new ATOM 0 HD13 ILE A 101 5.221 1.680 -2.174 1.00 0.21 H new ATOM 483 N LYS A 102 0.622 5.112 -1.596 1.00 0.13 N ATOM 484 CA LYS A 102 -0.753 5.119 -1.126 1.00 0.17 C ATOM 485 C LYS A 102 -1.656 5.889 -2.072 1.00 0.15 C ATOM 486 O LYS A 102 -2.671 5.370 -2.530 1.00 0.17 O ATOM 487 CB LYS A 102 -0.824 5.739 0.256 1.00 0.28 C ATOM 488 CG LYS A 102 -0.792 4.732 1.382 1.00 0.50 C ATOM 489 CD LYS A 102 0.488 3.931 1.407 1.00 0.94 C ATOM 490 CE LYS A 102 0.507 2.994 2.596 1.00 0.81 C ATOM 491 NZ LYS A 102 0.164 3.701 3.858 1.00 0.83 N ATOM 0 H LYS A 102 1.283 5.551 -0.955 1.00 0.13 H new ATOM 0 HA LYS A 102 -1.098 4.086 -1.086 1.00 0.17 H new ATOM 0 HB2 LYS A 102 0.010 6.430 0.376 1.00 0.28 H new ATOM 0 HB3 LYS A 102 -1.739 6.327 0.333 1.00 0.28 H new ATOM 0 HG2 LYS A 102 -0.910 5.252 2.333 1.00 0.50 H new ATOM 0 HG3 LYS A 102 -1.639 4.054 1.282 1.00 0.50 H new ATOM 0 HD2 LYS A 102 0.583 3.358 0.484 1.00 0.94 H new ATOM 0 HD3 LYS A 102 1.344 4.604 1.454 1.00 0.94 H new ATOM 0 HE2 LYS A 102 -0.200 2.181 2.430 1.00 0.81 H new ATOM 0 HE3 LYS A 102 1.495 2.543 2.688 1.00 0.81 H new ATOM 0 HZ1 LYS A 102 0.848 3.442 4.598 1.00 0.83 H new ATOM 0 HZ2 LYS A 102 0.197 4.728 3.700 1.00 0.83 H new ATOM 0 HZ3 LYS A 102 -0.793 3.427 4.160 1.00 0.83 H new ATOM 505 N GLN A 103 -1.277 7.126 -2.363 1.00 0.14 N ATOM 506 CA GLN A 103 -2.022 7.955 -3.301 1.00 0.14 C ATOM 507 C GLN A 103 -2.057 7.306 -4.670 1.00 0.13 C ATOM 508 O GLN A 103 -2.925 7.595 -5.489 1.00 0.16 O ATOM 509 CB GLN A 103 -1.392 9.336 -3.404 1.00 0.17 C ATOM 510 CG GLN A 103 -1.622 10.192 -2.174 1.00 0.23 C ATOM 511 CD GLN A 103 -3.033 10.737 -2.113 1.00 0.33 C ATOM 512 OE1 GLN A 103 -3.677 10.950 -3.143 1.00 0.83 O ATOM 513 NE2 GLN A 103 -3.522 10.976 -0.909 1.00 0.45 N ATOM 0 H GLN A 103 -0.456 7.579 -1.962 1.00 0.14 H new ATOM 0 HA GLN A 103 -3.042 8.056 -2.931 1.00 0.14 H new ATOM 0 HB2 GLN A 103 -0.320 9.228 -3.568 1.00 0.17 H new ATOM 0 HB3 GLN A 103 -1.797 9.849 -4.276 1.00 0.17 H new ATOM 0 HG2 GLN A 103 -1.423 9.601 -1.280 1.00 0.23 H new ATOM 0 HG3 GLN A 103 -0.914 11.021 -2.172 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -2.956 10.786 -0.082 1.00 0.45 H new ATOM 0 HE22 GLN A 103 -4.465 11.351 -0.807 1.00 0.45 H new ATOM 522 N HIS A 104 -1.122 6.405 -4.901 1.00 0.12 N ATOM 523 CA HIS A 104 -1.048 5.711 -6.176 1.00 0.12 C ATOM 524 C HIS A 104 -2.119 4.638 -6.208 1.00 0.12 C ATOM 525 O HIS A 104 -2.789 4.449 -7.216 1.00 0.18 O ATOM 526 CB HIS A 104 0.339 5.093 -6.398 1.00 0.14 C ATOM 527 CG HIS A 104 0.623 4.722 -7.825 1.00 0.22 C ATOM 528 ND1 HIS A 104 0.095 3.758 -8.618 1.00 1.21 N flip ATOM 529 CD2 HIS A 104 1.566 5.369 -8.596 1.00 0.98 C flip ATOM 530 CE1 HIS A 104 0.723 3.841 -9.835 1.00 0.95 C flip ATOM 531 NE2 HIS A 104 1.604 4.822 -9.796 1.00 0.54 N flip ATOM 0 H HIS A 104 -0.405 6.136 -4.227 1.00 0.12 H new ATOM 0 HA HIS A 104 -1.214 6.427 -6.981 1.00 0.12 H new ATOM 0 HB2 HIS A 104 1.098 5.798 -6.059 1.00 0.14 H new ATOM 0 HB3 HIS A 104 0.432 4.202 -5.777 1.00 0.14 H new ATOM 0 HD1 HIS A 104 -0.634 3.094 -8.358 1.00 1.21 H new ATOM 0 HD2 HIS A 104 2.179 6.196 -8.268 1.00 0.98 H new ATOM 0 HE1 HIS A 104 0.528 3.206 -10.687 1.00 0.95 H new ATOM 540 N LEU A 105 -2.294 3.966 -5.078 1.00 0.11 N ATOM 541 CA LEU A 105 -3.305 2.928 -4.950 1.00 0.12 C ATOM 542 C LEU A 105 -4.698 3.547 -4.878 1.00 0.13 C ATOM 543 O LEU A 105 -5.654 3.007 -5.434 1.00 0.18 O ATOM 544 CB LEU A 105 -3.029 2.067 -3.716 1.00 0.13 C ATOM 545 CG LEU A 105 -1.641 1.416 -3.681 1.00 0.14 C ATOM 546 CD1 LEU A 105 -1.515 0.479 -2.491 1.00 0.17 C ATOM 547 CD2 LEU A 105 -1.363 0.674 -4.979 1.00 0.18 C ATOM 0 H LEU A 105 -1.745 4.123 -4.233 1.00 0.11 H new ATOM 0 HA LEU A 105 -3.262 2.288 -5.831 1.00 0.12 H new ATOM 0 HB2 LEU A 105 -3.147 2.685 -2.826 1.00 0.13 H new ATOM 0 HB3 LEU A 105 -3.784 1.283 -3.662 1.00 0.13 H new ATOM 0 HG LEU A 105 -0.898 2.206 -3.572 1.00 0.14 H new ATOM 0 HD11 LEU A 105 -0.523 0.028 -2.486 1.00 0.17 H new ATOM 0 HD12 LEU A 105 -1.663 1.040 -1.569 1.00 0.17 H new ATOM 0 HD13 LEU A 105 -2.269 -0.305 -2.564 1.00 0.17 H new ATOM 0 HD21 LEU A 105 -0.373 0.219 -4.933 1.00 0.18 H new ATOM 0 HD22 LEU A 105 -2.113 -0.104 -5.121 1.00 0.18 H new ATOM 0 HD23 LEU A 105 -1.403 1.374 -5.814 1.00 0.18 H new ATOM 559 N ILE A 106 -4.812 4.680 -4.191 1.00 0.11 N ATOM 560 CA ILE A 106 -6.055 5.439 -4.174 1.00 0.13 C ATOM 561 C ILE A 106 -6.460 5.823 -5.595 1.00 0.14 C ATOM 562 O ILE A 106 -7.604 5.623 -6.007 1.00 0.17 O ATOM 563 CB ILE A 106 -5.920 6.732 -3.341 1.00 0.13 C ATOM 564 CG1 ILE A 106 -5.538 6.406 -1.897 1.00 0.14 C ATOM 565 CG2 ILE A 106 -7.216 7.533 -3.383 1.00 0.16 C ATOM 566 CD1 ILE A 106 -5.254 7.634 -1.062 1.00 0.15 C ATOM 0 H ILE A 106 -4.059 5.091 -3.640 1.00 0.11 H new ATOM 0 HA ILE A 106 -6.814 4.801 -3.721 1.00 0.13 H new ATOM 0 HB ILE A 106 -5.126 7.338 -3.777 1.00 0.13 H new ATOM 0 HG12 ILE A 106 -6.346 5.839 -1.434 1.00 0.14 H new ATOM 0 HG13 ILE A 106 -4.657 5.764 -1.898 1.00 0.14 H new ATOM 0 HG21 ILE A 106 -7.102 8.441 -2.790 1.00 0.16 H new ATOM 0 HG22 ILE A 106 -7.446 7.800 -4.415 1.00 0.16 H new ATOM 0 HG23 ILE A 106 -8.028 6.932 -2.974 1.00 0.16 H new ATOM 0 HD11 ILE A 106 -4.989 7.332 -0.049 1.00 0.15 H new ATOM 0 HD12 ILE A 106 -4.427 8.190 -1.503 1.00 0.15 H new ATOM 0 HD13 ILE A 106 -6.141 8.267 -1.032 1.00 0.15 H new ATOM 578 N SER A 107 -5.498 6.343 -6.347 1.00 0.13 N ATOM 579 CA SER A 107 -5.765 6.875 -7.671 1.00 0.17 C ATOM 580 C SER A 107 -6.041 5.763 -8.691 1.00 0.18 C ATOM 581 O SER A 107 -6.705 6.001 -9.702 1.00 0.27 O ATOM 582 CB SER A 107 -4.604 7.771 -8.122 1.00 0.23 C ATOM 583 OG SER A 107 -3.372 7.070 -8.108 1.00 0.61 O ATOM 0 H SER A 107 -4.522 6.406 -6.058 1.00 0.13 H new ATOM 0 HA SER A 107 -6.671 7.479 -7.615 1.00 0.17 H new ATOM 0 HB2 SER A 107 -4.800 8.144 -9.127 1.00 0.23 H new ATOM 0 HB3 SER A 107 -4.537 8.640 -7.467 1.00 0.23 H new ATOM 0 HG SER A 107 -3.004 7.074 -7.200 1.00 0.61 H new ATOM 589 N GLU A 108 -5.553 4.550 -8.426 1.00 0.16 N ATOM 590 CA GLU A 108 -5.836 3.417 -9.308 1.00 0.17 C ATOM 591 C GLU A 108 -6.958 2.547 -8.743 1.00 0.17 C ATOM 592 O GLU A 108 -7.096 1.373 -9.103 1.00 0.21 O ATOM 593 CB GLU A 108 -4.581 2.575 -9.574 1.00 0.20 C ATOM 594 CG GLU A 108 -3.959 1.966 -8.331 1.00 0.22 C ATOM 595 CD GLU A 108 -2.912 0.921 -8.660 1.00 0.28 C ATOM 596 OE1 GLU A 108 -3.278 -0.163 -9.156 1.00 0.35 O ATOM 597 OE2 GLU A 108 -1.713 1.189 -8.432 1.00 0.42 O ATOM 0 H GLU A 108 -4.968 4.329 -7.620 1.00 0.16 H new ATOM 0 HA GLU A 108 -6.167 3.828 -10.262 1.00 0.17 H new ATOM 0 HB2 GLU A 108 -4.836 1.774 -10.267 1.00 0.20 H new ATOM 0 HB3 GLU A 108 -3.837 3.200 -10.069 1.00 0.20 H new ATOM 0 HG2 GLU A 108 -3.505 2.755 -7.732 1.00 0.22 H new ATOM 0 HG3 GLU A 108 -4.741 1.513 -7.722 1.00 0.22 H new ATOM 604 N GLU A 109 -7.750 3.142 -7.848 1.00 0.16 N ATOM 605 CA GLU A 109 -8.946 2.507 -7.290 1.00 0.19 C ATOM 606 C GLU A 109 -8.627 1.163 -6.641 1.00 0.20 C ATOM 607 O GLU A 109 -9.310 0.162 -6.872 1.00 0.30 O ATOM 608 CB GLU A 109 -10.017 2.344 -8.373 1.00 0.24 C ATOM 609 CG GLU A 109 -10.465 3.665 -8.975 1.00 0.31 C ATOM 610 CD GLU A 109 -11.519 3.495 -10.047 1.00 1.02 C ATOM 611 OE1 GLU A 109 -11.161 3.129 -11.188 1.00 1.86 O ATOM 612 OE2 GLU A 109 -12.712 3.711 -9.753 1.00 0.95 O ATOM 0 H GLU A 109 -7.579 4.081 -7.489 1.00 0.16 H new ATOM 0 HA GLU A 109 -9.331 3.161 -6.507 1.00 0.19 H new ATOM 0 HB2 GLU A 109 -9.629 1.704 -9.165 1.00 0.24 H new ATOM 0 HB3 GLU A 109 -10.881 1.835 -7.947 1.00 0.24 H new ATOM 0 HG2 GLU A 109 -10.858 4.304 -8.184 1.00 0.31 H new ATOM 0 HG3 GLU A 109 -9.601 4.177 -9.399 1.00 0.31 H new ATOM 619 N LYS A 110 -7.575 1.145 -5.841 1.00 0.15 N ATOM 620 CA LYS A 110 -7.206 -0.040 -5.086 1.00 0.17 C ATOM 621 C LYS A 110 -7.454 0.181 -3.599 1.00 0.19 C ATOM 622 O LYS A 110 -7.349 -0.752 -2.796 1.00 0.27 O ATOM 623 CB LYS A 110 -5.731 -0.376 -5.314 1.00 0.21 C ATOM 624 CG LYS A 110 -5.402 -0.823 -6.727 1.00 0.23 C ATOM 625 CD LYS A 110 -6.125 -2.098 -7.117 1.00 0.23 C ATOM 626 CE LYS A 110 -5.671 -2.582 -8.486 1.00 0.36 C ATOM 627 NZ LYS A 110 -5.629 -1.476 -9.482 1.00 1.22 N ATOM 0 H LYS A 110 -6.957 1.944 -5.697 1.00 0.15 H new ATOM 0 HA LYS A 110 -7.820 -0.872 -5.431 1.00 0.17 H new ATOM 0 HB2 LYS A 110 -5.130 0.501 -5.074 1.00 0.21 H new ATOM 0 HB3 LYS A 110 -5.438 -1.163 -4.619 1.00 0.21 H new ATOM 0 HG2 LYS A 110 -5.668 -0.030 -7.426 1.00 0.23 H new ATOM 0 HG3 LYS A 110 -4.327 -0.978 -6.814 1.00 0.23 H new ATOM 0 HD2 LYS A 110 -5.935 -2.871 -6.372 1.00 0.23 H new ATOM 0 HD3 LYS A 110 -7.201 -1.922 -7.127 1.00 0.23 H new ATOM 0 HE2 LYS A 110 -4.682 -3.032 -8.402 1.00 0.36 H new ATOM 0 HE3 LYS A 110 -6.347 -3.361 -8.838 1.00 0.36 H new ATOM 0 HZ1 LYS A 110 -5.566 -1.874 -10.441 1.00 1.22 H new ATOM 0 HZ2 LYS A 110 -6.493 -0.903 -9.401 1.00 1.22 H new ATOM 0 HZ3 LYS A 110 -4.798 -0.877 -9.301 1.00 1.22 H new ATOM 641 N ALA A 111 -7.798 1.412 -3.240 1.00 0.16 N ATOM 642 CA ALA A 111 -7.948 1.781 -1.840 1.00 0.18 C ATOM 643 C ALA A 111 -8.820 3.017 -1.672 1.00 0.19 C ATOM 644 O ALA A 111 -9.380 3.532 -2.640 1.00 0.29 O ATOM 645 CB ALA A 111 -6.586 2.031 -1.225 1.00 0.20 C ATOM 0 H ALA A 111 -7.978 2.170 -3.899 1.00 0.16 H new ATOM 0 HA ALA A 111 -8.439 0.952 -1.330 1.00 0.18 H new ATOM 0 HB1 ALA A 111 -6.705 2.307 -0.177 1.00 0.20 H new ATOM 0 HB2 ALA A 111 -5.983 1.126 -1.296 1.00 0.20 H new ATOM 0 HB3 ALA A 111 -6.089 2.841 -1.759 1.00 0.20 H new ATOM 651 N SER A 112 -8.922 3.488 -0.437 1.00 0.21 N ATOM 652 CA SER A 112 -9.702 4.673 -0.128 1.00 0.23 C ATOM 653 C SER A 112 -8.783 5.843 0.230 1.00 0.21 C ATOM 654 O SER A 112 -8.711 6.830 -0.497 1.00 0.26 O ATOM 655 CB SER A 112 -10.676 4.374 1.018 1.00 0.29 C ATOM 656 OG SER A 112 -11.420 5.522 1.380 1.00 1.23 O ATOM 0 H SER A 112 -8.469 3.062 0.372 1.00 0.21 H new ATOM 0 HA SER A 112 -10.278 4.956 -1.009 1.00 0.23 H new ATOM 0 HB2 SER A 112 -11.357 3.577 0.719 1.00 0.29 H new ATOM 0 HB3 SER A 112 -10.121 4.011 1.883 1.00 0.29 H new ATOM 0 HG SER A 112 -12.032 5.298 2.112 1.00 1.23 H new ATOM 662 N HIS A 113 -8.077 5.725 1.350 1.00 0.16 N ATOM 663 CA HIS A 113 -7.165 6.772 1.799 1.00 0.16 C ATOM 664 C HIS A 113 -5.775 6.201 2.050 1.00 0.14 C ATOM 665 O HIS A 113 -5.605 4.983 2.063 1.00 0.15 O ATOM 666 CB HIS A 113 -7.679 7.451 3.072 1.00 0.21 C ATOM 667 CG HIS A 113 -8.789 8.439 2.850 1.00 0.44 C ATOM 668 ND1 HIS A 113 -10.021 8.288 2.304 1.00 1.47 N flip ATOM 669 CD2 HIS A 113 -8.702 9.763 3.221 1.00 0.75 C flip ATOM 670 CE1 HIS A 113 -10.646 9.509 2.358 1.00 1.47 C flip ATOM 671 NE2 HIS A 113 -9.828 10.380 2.917 1.00 0.73 N flip ATOM 0 H HIS A 113 -8.119 4.912 1.965 1.00 0.16 H new ATOM 0 HA HIS A 113 -7.110 7.519 1.007 1.00 0.16 H new ATOM 0 HB2 HIS A 113 -8.027 6.683 3.763 1.00 0.21 H new ATOM 0 HB3 HIS A 113 -6.847 7.962 3.557 1.00 0.21 H new ATOM 0 HD1 HIS A 113 -10.411 7.426 1.923 1.00 1.47 H new ATOM 0 HD2 HIS A 113 -7.845 10.224 3.688 1.00 0.75 H new ATOM 0 HE1 HIS A 113 -11.643 9.722 2.002 1.00 1.47 H new ATOM 680 N ILE A 114 -4.792 7.072 2.259 1.00 0.15 N ATOM 681 CA ILE A 114 -3.410 6.636 2.453 1.00 0.17 C ATOM 682 C ILE A 114 -3.281 5.743 3.705 1.00 0.16 C ATOM 683 O ILE A 114 -2.587 4.723 3.695 1.00 0.26 O ATOM 684 CB ILE A 114 -2.442 7.845 2.577 1.00 0.18 C ATOM 685 CG1 ILE A 114 -2.743 8.679 3.827 1.00 0.18 C ATOM 686 CG2 ILE A 114 -2.527 8.723 1.335 1.00 0.22 C ATOM 687 CD1 ILE A 114 -1.776 9.823 4.039 1.00 0.23 C ATOM 0 H ILE A 114 -4.925 8.083 2.299 1.00 0.15 H new ATOM 0 HA ILE A 114 -3.133 6.058 1.572 1.00 0.17 H new ATOM 0 HB ILE A 114 -1.431 7.449 2.669 1.00 0.18 H new ATOM 0 HG12 ILE A 114 -3.754 9.078 3.752 1.00 0.18 H new ATOM 0 HG13 ILE A 114 -2.721 8.029 4.701 1.00 0.18 H new ATOM 0 HG21 ILE A 114 -1.843 9.565 1.437 1.00 0.22 H new ATOM 0 HG22 ILE A 114 -2.254 8.138 0.457 1.00 0.22 H new ATOM 0 HG23 ILE A 114 -3.545 9.094 1.221 1.00 0.22 H new ATOM 0 HD11 ILE A 114 -2.051 10.369 4.942 1.00 0.23 H new ATOM 0 HD12 ILE A 114 -0.765 9.430 4.146 1.00 0.23 H new ATOM 0 HD13 ILE A 114 -1.815 10.496 3.182 1.00 0.23 H new ATOM 699 N SER A 115 -3.970 6.128 4.772 1.00 0.14 N ATOM 700 CA SER A 115 -3.914 5.415 6.041 1.00 0.20 C ATOM 701 C SER A 115 -4.737 4.123 6.022 1.00 0.18 C ATOM 702 O SER A 115 -4.545 3.252 6.868 1.00 0.27 O ATOM 703 CB SER A 115 -4.399 6.338 7.157 1.00 0.29 C ATOM 704 OG SER A 115 -5.603 6.988 6.787 1.00 1.50 O ATOM 0 H SER A 115 -4.583 6.943 4.782 1.00 0.14 H new ATOM 0 HA SER A 115 -2.878 5.125 6.218 1.00 0.20 H new ATOM 0 HB2 SER A 115 -4.557 5.761 8.068 1.00 0.29 H new ATOM 0 HB3 SER A 115 -3.633 7.081 7.379 1.00 0.29 H new ATOM 0 HG SER A 115 -5.897 7.573 7.517 1.00 1.50 H new ATOM 710 N GLU A 116 -5.641 3.987 5.053 1.00 0.14 N ATOM 711 CA GLU A 116 -6.445 2.767 4.922 1.00 0.13 C ATOM 712 C GLU A 116 -5.653 1.695 4.186 1.00 0.11 C ATOM 713 O GLU A 116 -6.177 0.633 3.828 1.00 0.15 O ATOM 714 CB GLU A 116 -7.755 3.054 4.193 1.00 0.20 C ATOM 715 CG GLU A 116 -8.678 3.990 4.955 1.00 0.36 C ATOM 716 CD GLU A 116 -9.115 3.415 6.288 1.00 0.47 C ATOM 717 OE1 GLU A 116 -8.391 3.605 7.287 1.00 0.80 O ATOM 718 OE2 GLU A 116 -10.179 2.761 6.343 1.00 0.53 O ATOM 0 H GLU A 116 -5.836 4.700 4.350 1.00 0.14 H new ATOM 0 HA GLU A 116 -6.686 2.405 5.922 1.00 0.13 H new ATOM 0 HB2 GLU A 116 -7.532 3.489 3.219 1.00 0.20 H new ATOM 0 HB3 GLU A 116 -8.274 2.113 4.010 1.00 0.20 H new ATOM 0 HG2 GLU A 116 -8.170 4.940 5.122 1.00 0.36 H new ATOM 0 HG3 GLU A 116 -9.558 4.201 4.348 1.00 0.36 H new ATOM 725 N ILE A 117 -4.392 2.013 3.955 1.00 0.11 N ATOM 726 CA ILE A 117 -3.448 1.109 3.340 1.00 0.12 C ATOM 727 C ILE A 117 -2.309 0.853 4.314 1.00 0.16 C ATOM 728 O ILE A 117 -1.520 1.753 4.597 1.00 0.26 O ATOM 729 CB ILE A 117 -2.864 1.721 2.051 1.00 0.12 C ATOM 730 CG1 ILE A 117 -3.982 2.096 1.079 1.00 0.12 C ATOM 731 CG2 ILE A 117 -1.883 0.760 1.392 1.00 0.16 C ATOM 732 CD1 ILE A 117 -3.505 2.904 -0.107 1.00 0.14 C ATOM 0 H ILE A 117 -3.993 2.921 4.194 1.00 0.11 H new ATOM 0 HA ILE A 117 -3.963 0.181 3.090 1.00 0.12 H new ATOM 0 HB ILE A 117 -2.323 2.628 2.321 1.00 0.12 H new ATOM 0 HG12 ILE A 117 -4.460 1.185 0.719 1.00 0.12 H new ATOM 0 HG13 ILE A 117 -4.742 2.665 1.614 1.00 0.12 H new ATOM 0 HG21 ILE A 117 -1.484 1.213 0.485 1.00 0.16 H new ATOM 0 HG22 ILE A 117 -1.066 0.546 2.080 1.00 0.16 H new ATOM 0 HG23 ILE A 117 -2.397 -0.167 1.139 1.00 0.16 H new ATOM 0 HD11 ILE A 117 -4.351 3.134 -0.754 1.00 0.14 H new ATOM 0 HD12 ILE A 117 -3.053 3.832 0.243 1.00 0.14 H new ATOM 0 HD13 ILE A 117 -2.767 2.329 -0.666 1.00 0.14 H new ATOM 744 N LYS A 118 -2.228 -0.347 4.845 1.00 0.20 N ATOM 745 CA LYS A 118 -1.149 -0.672 5.757 1.00 0.26 C ATOM 746 C LYS A 118 -0.060 -1.414 5.000 1.00 0.17 C ATOM 747 O LYS A 118 -0.267 -2.533 4.551 1.00 0.19 O ATOM 748 CB LYS A 118 -1.666 -1.547 6.908 1.00 0.41 C ATOM 749 CG LYS A 118 -1.143 -1.183 8.301 1.00 0.53 C ATOM 750 CD LYS A 118 0.380 -1.195 8.402 1.00 0.35 C ATOM 751 CE LYS A 118 0.982 0.172 8.094 1.00 0.71 C ATOM 752 NZ LYS A 118 0.391 1.249 8.940 1.00 1.01 N ATOM 0 H LYS A 118 -2.885 -1.106 4.666 1.00 0.20 H new ATOM 0 HA LYS A 118 -0.746 0.251 6.175 1.00 0.26 H new ATOM 0 HB2 LYS A 118 -2.755 -1.492 6.922 1.00 0.41 H new ATOM 0 HB3 LYS A 118 -1.402 -2.584 6.700 1.00 0.41 H new ATOM 0 HG2 LYS A 118 -1.509 -0.192 8.570 1.00 0.53 H new ATOM 0 HG3 LYS A 118 -1.553 -1.883 9.029 1.00 0.53 H new ATOM 0 HD2 LYS A 118 0.675 -1.504 9.405 1.00 0.35 H new ATOM 0 HD3 LYS A 118 0.784 -1.934 7.710 1.00 0.35 H new ATOM 0 HE2 LYS A 118 2.060 0.137 8.253 1.00 0.71 H new ATOM 0 HE3 LYS A 118 0.822 0.409 7.042 1.00 0.71 H new ATOM 0 HZ1 LYS A 118 1.146 1.879 9.277 1.00 1.01 H new ATOM 0 HZ2 LYS A 118 -0.292 1.797 8.378 1.00 1.01 H new ATOM 0 HZ3 LYS A 118 -0.094 0.823 9.755 1.00 1.01 H new ATOM 766 N LEU A 119 1.096 -0.795 4.859 1.00 0.20 N ATOM 767 CA LEU A 119 2.224 -1.454 4.228 1.00 0.19 C ATOM 768 C LEU A 119 3.194 -1.947 5.290 1.00 0.17 C ATOM 769 O LEU A 119 3.594 -1.191 6.174 1.00 0.19 O ATOM 770 CB LEU A 119 2.931 -0.521 3.234 1.00 0.27 C ATOM 771 CG LEU A 119 2.290 -0.433 1.840 1.00 0.26 C ATOM 772 CD1 LEU A 119 3.072 0.513 0.941 1.00 0.69 C ATOM 773 CD2 LEU A 119 2.224 -1.807 1.204 1.00 0.73 C ATOM 0 H LEU A 119 1.279 0.159 5.171 1.00 0.20 H new ATOM 0 HA LEU A 119 1.852 -2.309 3.664 1.00 0.19 H new ATOM 0 HB2 LEU A 119 2.965 0.480 3.663 1.00 0.27 H new ATOM 0 HB3 LEU A 119 3.963 -0.854 3.120 1.00 0.27 H new ATOM 0 HG LEU A 119 1.279 -0.043 1.958 1.00 0.26 H new ATOM 0 HD11 LEU A 119 2.598 0.558 -0.040 1.00 0.69 H new ATOM 0 HD12 LEU A 119 3.084 1.509 1.384 1.00 0.69 H new ATOM 0 HD13 LEU A 119 4.094 0.151 0.834 1.00 0.69 H new ATOM 0 HD21 LEU A 119 1.768 -1.730 0.217 1.00 0.73 H new ATOM 0 HD22 LEU A 119 3.231 -2.212 1.107 1.00 0.73 H new ATOM 0 HD23 LEU A 119 1.625 -2.469 1.830 1.00 0.73 H new ATOM 785 N LEU A 120 3.527 -3.226 5.227 1.00 0.16 N ATOM 786 CA LEU A 120 4.457 -3.817 6.173 1.00 0.15 C ATOM 787 C LEU A 120 5.537 -4.588 5.431 1.00 0.18 C ATOM 788 O LEU A 120 5.252 -5.297 4.464 1.00 0.23 O ATOM 789 CB LEU A 120 3.740 -4.760 7.150 1.00 0.17 C ATOM 790 CG LEU A 120 2.513 -4.183 7.863 1.00 0.18 C ATOM 791 CD1 LEU A 120 1.250 -4.423 7.047 1.00 0.21 C ATOM 792 CD2 LEU A 120 2.371 -4.786 9.249 1.00 0.22 C ATOM 0 H LEU A 120 3.166 -3.876 4.528 1.00 0.16 H new ATOM 0 HA LEU A 120 4.908 -3.006 6.745 1.00 0.15 H new ATOM 0 HB2 LEU A 120 3.432 -5.651 6.603 1.00 0.17 H new ATOM 0 HB3 LEU A 120 4.457 -5.081 7.906 1.00 0.17 H new ATOM 0 HG LEU A 120 2.654 -3.107 7.965 1.00 0.18 H new ATOM 0 HD11 LEU A 120 0.392 -4.005 7.573 1.00 0.21 H new ATOM 0 HD12 LEU A 120 1.349 -3.942 6.074 1.00 0.21 H new ATOM 0 HD13 LEU A 120 1.104 -5.494 6.909 1.00 0.21 H new ATOM 0 HD21 LEU A 120 1.494 -4.365 9.741 1.00 0.22 H new ATOM 0 HD22 LEU A 120 2.256 -5.867 9.166 1.00 0.22 H new ATOM 0 HD23 LEU A 120 3.261 -4.560 9.837 1.00 0.22 H new ATOM 804 N LEU A 121 6.771 -4.447 5.885 1.00 0.19 N ATOM 805 CA LEU A 121 7.885 -5.165 5.293 1.00 0.25 C ATOM 806 C LEU A 121 8.464 -6.147 6.298 1.00 0.33 C ATOM 807 O LEU A 121 9.208 -5.760 7.202 1.00 0.37 O ATOM 808 CB LEU A 121 8.968 -4.184 4.822 1.00 0.29 C ATOM 809 CG LEU A 121 10.307 -4.817 4.413 1.00 0.53 C ATOM 810 CD1 LEU A 121 10.120 -5.824 3.288 1.00 1.36 C ATOM 811 CD2 LEU A 121 11.297 -3.737 4.001 1.00 1.18 C ATOM 0 H LEU A 121 7.026 -3.840 6.664 1.00 0.19 H new ATOM 0 HA LEU A 121 7.523 -5.719 4.427 1.00 0.25 H new ATOM 0 HB2 LEU A 121 8.579 -3.621 3.973 1.00 0.29 H new ATOM 0 HB3 LEU A 121 9.155 -3.467 5.621 1.00 0.29 H new ATOM 0 HG LEU A 121 10.706 -5.350 5.276 1.00 0.53 H new ATOM 0 HD11 LEU A 121 11.085 -6.255 3.021 1.00 1.36 H new ATOM 0 HD12 LEU A 121 9.448 -6.616 3.617 1.00 1.36 H new ATOM 0 HD13 LEU A 121 9.693 -5.324 2.419 1.00 1.36 H new ATOM 0 HD21 LEU A 121 12.241 -4.199 3.714 1.00 1.18 H new ATOM 0 HD22 LEU A 121 10.895 -3.178 3.156 1.00 1.18 H new ATOM 0 HD23 LEU A 121 11.465 -3.059 4.838 1.00 1.18 H new ATOM 823 N LYS A 122 8.092 -7.413 6.140 1.00 0.43 N ATOM 824 CA LYS A 122 8.614 -8.499 6.970 1.00 0.54 C ATOM 825 C LYS A 122 8.371 -8.215 8.456 1.00 0.44 C ATOM 826 O LYS A 122 9.237 -8.441 9.300 1.00 0.52 O ATOM 827 CB LYS A 122 10.110 -8.694 6.686 1.00 0.71 C ATOM 828 CG LYS A 122 10.655 -10.039 7.135 1.00 1.20 C ATOM 829 CD LYS A 122 12.110 -10.208 6.735 1.00 1.39 C ATOM 830 CE LYS A 122 12.621 -11.601 7.073 1.00 2.05 C ATOM 831 NZ LYS A 122 11.901 -12.657 6.315 1.00 2.47 N ATOM 0 H LYS A 122 7.421 -7.717 5.435 1.00 0.43 H new ATOM 0 HA LYS A 122 8.086 -9.419 6.720 1.00 0.54 H new ATOM 0 HB2 LYS A 122 10.283 -8.582 5.616 1.00 0.71 H new ATOM 0 HB3 LYS A 122 10.670 -7.902 7.184 1.00 0.71 H new ATOM 0 HG2 LYS A 122 10.561 -10.129 8.217 1.00 1.20 H new ATOM 0 HG3 LYS A 122 10.060 -10.840 6.696 1.00 1.20 H new ATOM 0 HD2 LYS A 122 12.218 -10.029 5.665 1.00 1.39 H new ATOM 0 HD3 LYS A 122 12.718 -9.462 7.246 1.00 1.39 H new ATOM 0 HE2 LYS A 122 13.687 -11.659 6.853 1.00 2.05 H new ATOM 0 HE3 LYS A 122 12.506 -11.780 8.142 1.00 2.05 H new ATOM 0 HZ1 LYS A 122 12.449 -13.540 6.345 1.00 2.47 H new ATOM 0 HZ2 LYS A 122 10.966 -12.815 6.742 1.00 2.47 H new ATOM 0 HZ3 LYS A 122 11.783 -12.356 5.327 1.00 2.47 H new ATOM 845 N GLY A 123 7.185 -7.706 8.764 1.00 0.36 N ATOM 846 CA GLY A 123 6.832 -7.417 10.141 1.00 0.39 C ATOM 847 C GLY A 123 7.051 -5.964 10.509 1.00 0.35 C ATOM 848 O GLY A 123 6.566 -5.494 11.539 1.00 0.47 O ATOM 0 H GLY A 123 6.459 -7.487 8.082 1.00 0.36 H new ATOM 0 HA2 GLY A 123 5.786 -7.675 10.305 1.00 0.39 H new ATOM 0 HA3 GLY A 123 7.424 -8.048 10.804 1.00 0.39 H new ATOM 852 N LYS A 124 7.783 -5.246 9.671 1.00 0.26 N ATOM 853 CA LYS A 124 8.058 -3.840 9.925 1.00 0.29 C ATOM 854 C LYS A 124 6.907 -2.972 9.430 1.00 0.23 C ATOM 855 O LYS A 124 6.624 -2.926 8.233 1.00 0.21 O ATOM 856 CB LYS A 124 9.367 -3.417 9.252 1.00 0.37 C ATOM 857 CG LYS A 124 9.740 -1.958 9.484 1.00 0.46 C ATOM 858 CD LYS A 124 9.910 -1.645 10.964 1.00 0.53 C ATOM 859 CE LYS A 124 11.050 -2.437 11.589 1.00 1.36 C ATOM 860 NZ LYS A 124 12.359 -2.146 10.942 1.00 1.94 N ATOM 0 H LYS A 124 8.196 -5.612 8.813 1.00 0.26 H new ATOM 0 HA LYS A 124 8.160 -3.702 11.001 1.00 0.29 H new ATOM 0 HB2 LYS A 124 10.174 -4.051 9.620 1.00 0.37 H new ATOM 0 HB3 LYS A 124 9.286 -3.595 8.180 1.00 0.37 H new ATOM 0 HG2 LYS A 124 10.666 -1.732 8.956 1.00 0.46 H new ATOM 0 HG3 LYS A 124 8.968 -1.314 9.063 1.00 0.46 H new ATOM 0 HD2 LYS A 124 10.098 -0.579 11.089 1.00 0.53 H new ATOM 0 HD3 LYS A 124 8.982 -1.869 11.490 1.00 0.53 H new ATOM 0 HE2 LYS A 124 11.112 -2.203 12.652 1.00 1.36 H new ATOM 0 HE3 LYS A 124 10.836 -3.503 11.509 1.00 1.36 H new ATOM 0 HZ1 LYS A 124 13.128 -2.543 11.520 1.00 1.94 H new ATOM 0 HZ2 LYS A 124 12.381 -2.575 9.995 1.00 1.94 H new ATOM 0 HZ3 LYS A 124 12.484 -1.117 10.859 1.00 1.94 H new ATOM 874 N VAL A 125 6.248 -2.294 10.360 1.00 0.24 N ATOM 875 CA VAL A 125 5.146 -1.403 10.030 1.00 0.21 C ATOM 876 C VAL A 125 5.666 -0.142 9.346 1.00 0.22 C ATOM 877 O VAL A 125 6.334 0.686 9.967 1.00 0.30 O ATOM 878 CB VAL A 125 4.348 -1.014 11.298 1.00 0.24 C ATOM 879 CG1 VAL A 125 3.257 -0.002 10.979 1.00 0.26 C ATOM 880 CG2 VAL A 125 3.744 -2.251 11.946 1.00 0.27 C ATOM 0 H VAL A 125 6.460 -2.346 11.356 1.00 0.24 H new ATOM 0 HA VAL A 125 4.481 -1.934 9.348 1.00 0.21 H new ATOM 0 HB VAL A 125 5.043 -0.550 11.998 1.00 0.24 H new ATOM 0 HG11 VAL A 125 2.716 0.249 11.891 1.00 0.26 H new ATOM 0 HG12 VAL A 125 3.707 0.900 10.564 1.00 0.26 H new ATOM 0 HG13 VAL A 125 2.565 -0.429 10.253 1.00 0.26 H new ATOM 0 HG21 VAL A 125 3.186 -1.960 12.836 1.00 0.27 H new ATOM 0 HG22 VAL A 125 3.072 -2.740 11.241 1.00 0.27 H new ATOM 0 HG23 VAL A 125 4.540 -2.941 12.226 1.00 0.27 H new ATOM 890 N LEU A 126 5.375 -0.009 8.062 1.00 0.20 N ATOM 891 CA LEU A 126 5.790 1.160 7.307 1.00 0.22 C ATOM 892 C LEU A 126 4.780 2.276 7.513 1.00 0.24 C ATOM 893 O LEU A 126 3.572 2.044 7.476 1.00 0.31 O ATOM 894 CB LEU A 126 5.913 0.819 5.818 1.00 0.22 C ATOM 895 CG LEU A 126 6.772 -0.411 5.499 1.00 0.22 C ATOM 896 CD1 LEU A 126 6.876 -0.618 3.997 1.00 0.30 C ATOM 897 CD2 LEU A 126 8.151 -0.276 6.121 1.00 0.23 C ATOM 0 H LEU A 126 4.852 -0.698 7.521 1.00 0.20 H new ATOM 0 HA LEU A 126 6.767 1.489 7.662 1.00 0.22 H new ATOM 0 HB2 LEU A 126 4.913 0.659 5.414 1.00 0.22 H new ATOM 0 HB3 LEU A 126 6.332 1.680 5.298 1.00 0.22 H new ATOM 0 HG LEU A 126 6.288 -1.288 5.930 1.00 0.22 H new ATOM 0 HD11 LEU A 126 7.489 -1.495 3.792 1.00 0.30 H new ATOM 0 HD12 LEU A 126 5.880 -0.766 3.580 1.00 0.30 H new ATOM 0 HD13 LEU A 126 7.333 0.259 3.540 1.00 0.30 H new ATOM 0 HD21 LEU A 126 8.745 -1.158 5.883 1.00 0.23 H new ATOM 0 HD22 LEU A 126 8.644 0.611 5.724 1.00 0.23 H new ATOM 0 HD23 LEU A 126 8.055 -0.184 7.203 1.00 0.23 H new ATOM 909 N HIS A 127 5.268 3.485 7.738 1.00 0.24 N ATOM 910 CA HIS A 127 4.386 4.602 8.053 1.00 0.25 C ATOM 911 C HIS A 127 3.833 5.234 6.785 1.00 0.22 C ATOM 912 O HIS A 127 4.390 5.037 5.704 1.00 0.28 O ATOM 913 CB HIS A 127 5.103 5.668 8.886 1.00 0.28 C ATOM 914 CG HIS A 127 5.579 5.187 10.227 1.00 0.74 C ATOM 915 ND1 HIS A 127 5.059 5.645 11.417 1.00 1.35 N ATOM 916 CD2 HIS A 127 6.547 4.298 10.562 1.00 1.31 C ATOM 917 CE1 HIS A 127 5.683 5.063 12.423 1.00 1.67 C ATOM 918 NE2 HIS A 127 6.590 4.242 11.931 1.00 1.62 N ATOM 0 H HIS A 127 6.260 3.719 7.709 1.00 0.24 H new ATOM 0 HA HIS A 127 3.561 4.200 8.641 1.00 0.25 H new ATOM 0 HB2 HIS A 127 5.958 6.039 8.321 1.00 0.28 H new ATOM 0 HB3 HIS A 127 4.429 6.511 9.034 1.00 0.28 H new ATOM 0 HD2 HIS A 127 7.168 3.739 9.878 1.00 1.31 H new ATOM 0 HE1 HIS A 127 5.485 5.230 13.471 1.00 1.67 H new ATOM 0 HE2 HIS A 127 7.222 3.659 12.480 1.00 1.62 H new ATOM 927 N ASP A 128 2.753 5.990 6.931 1.00 0.24 N ATOM 928 CA ASP A 128 2.051 6.599 5.799 1.00 0.25 C ATOM 929 C ASP A 128 3.007 7.297 4.825 1.00 0.20 C ATOM 930 O ASP A 128 2.909 7.091 3.620 1.00 0.22 O ATOM 931 CB ASP A 128 0.985 7.586 6.298 1.00 0.32 C ATOM 932 CG ASP A 128 1.542 8.659 7.212 1.00 0.35 C ATOM 933 OD1 ASP A 128 1.764 8.370 8.408 1.00 0.45 O ATOM 934 OD2 ASP A 128 1.757 9.793 6.741 1.00 0.42 O ATOM 0 H ASP A 128 2.335 6.201 7.837 1.00 0.24 H new ATOM 0 HA ASP A 128 1.566 5.791 5.251 1.00 0.25 H new ATOM 0 HB2 ASP A 128 0.509 8.061 5.440 1.00 0.32 H new ATOM 0 HB3 ASP A 128 0.209 7.034 6.828 1.00 0.32 H new ATOM 939 N ASN A 129 3.935 8.103 5.338 1.00 0.19 N ATOM 940 CA ASN A 129 4.815 8.903 4.480 1.00 0.19 C ATOM 941 C ASN A 129 6.300 8.523 4.598 1.00 0.17 C ATOM 942 O ASN A 129 7.174 9.368 4.388 1.00 0.22 O ATOM 943 CB ASN A 129 4.630 10.395 4.776 1.00 0.28 C ATOM 944 CG ASN A 129 5.044 10.785 6.186 1.00 1.11 C ATOM 945 OD1 ASN A 129 5.001 9.975 7.113 1.00 1.91 O ATOM 946 ND2 ASN A 129 5.436 12.036 6.358 1.00 1.48 N ATOM 0 H ASN A 129 4.099 8.221 6.338 1.00 0.19 H new ATOM 0 HA ASN A 129 4.521 8.686 3.453 1.00 0.19 H new ATOM 0 HB2 ASN A 129 5.213 10.975 4.060 1.00 0.28 H new ATOM 0 HB3 ASN A 129 3.584 10.661 4.625 1.00 0.28 H new ATOM 0 HD21 ASN A 129 5.716 12.360 7.284 1.00 1.48 H new ATOM 0 HD22 ASN A 129 5.458 12.677 5.565 1.00 1.48 H new ATOM 953 N LEU A 130 6.592 7.267 4.923 1.00 0.15 N ATOM 954 CA LEU A 130 7.984 6.815 5.063 1.00 0.19 C ATOM 955 C LEU A 130 8.705 6.858 3.704 1.00 0.15 C ATOM 956 O LEU A 130 8.110 6.556 2.676 1.00 0.14 O ATOM 957 CB LEU A 130 8.020 5.386 5.636 1.00 0.25 C ATOM 958 CG LEU A 130 9.120 5.091 6.676 1.00 0.33 C ATOM 959 CD1 LEU A 130 10.510 5.356 6.124 1.00 0.33 C ATOM 960 CD2 LEU A 130 8.896 5.898 7.943 1.00 0.39 C ATOM 0 H LEU A 130 5.893 6.544 5.095 1.00 0.15 H new ATOM 0 HA LEU A 130 8.499 7.486 5.750 1.00 0.19 H new ATOM 0 HB2 LEU A 130 7.053 5.177 6.093 1.00 0.25 H new ATOM 0 HB3 LEU A 130 8.138 4.688 4.807 1.00 0.25 H new ATOM 0 HG LEU A 130 9.056 4.030 6.917 1.00 0.33 H new ATOM 0 HD11 LEU A 130 11.254 5.135 6.890 1.00 0.33 H new ATOM 0 HD12 LEU A 130 10.684 4.721 5.255 1.00 0.33 H new ATOM 0 HD13 LEU A 130 10.591 6.403 5.830 1.00 0.33 H new ATOM 0 HD21 LEU A 130 9.684 5.673 8.662 1.00 0.39 H new ATOM 0 HD22 LEU A 130 8.914 6.962 7.705 1.00 0.39 H new ATOM 0 HD23 LEU A 130 7.928 5.639 8.373 1.00 0.39 H new ATOM 972 N PHE A 131 9.974 7.261 3.708 1.00 0.19 N ATOM 973 CA PHE A 131 10.791 7.269 2.490 1.00 0.19 C ATOM 974 C PHE A 131 11.343 5.877 2.199 1.00 0.19 C ATOM 975 O PHE A 131 11.741 5.155 3.114 1.00 0.21 O ATOM 976 CB PHE A 131 11.964 8.243 2.629 1.00 0.22 C ATOM 977 CG PHE A 131 11.582 9.691 2.534 1.00 0.28 C ATOM 978 CD1 PHE A 131 11.480 10.316 1.304 1.00 0.35 C ATOM 979 CD2 PHE A 131 11.314 10.422 3.678 1.00 0.38 C ATOM 980 CE1 PHE A 131 11.118 11.646 1.215 1.00 0.44 C ATOM 981 CE2 PHE A 131 10.950 11.752 3.597 1.00 0.47 C ATOM 982 CZ PHE A 131 10.898 12.376 2.348 1.00 0.47 C ATOM 0 H PHE A 131 10.462 7.588 4.542 1.00 0.19 H new ATOM 0 HA PHE A 131 10.149 7.586 1.668 1.00 0.19 H new ATOM 0 HB2 PHE A 131 12.452 8.071 3.588 1.00 0.22 H new ATOM 0 HB3 PHE A 131 12.698 8.022 1.854 1.00 0.22 H new ATOM 0 HD1 PHE A 131 11.686 9.757 0.403 1.00 0.35 H new ATOM 0 HD2 PHE A 131 11.390 9.947 4.645 1.00 0.38 H new ATOM 0 HE1 PHE A 131 11.009 12.110 0.246 1.00 0.44 H new ATOM 0 HE2 PHE A 131 10.707 12.305 4.492 1.00 0.47 H new ATOM 0 HZ PHE A 131 10.684 13.432 2.279 1.00 0.47 H new ATOM 992 N LEU A 132 11.397 5.519 0.919 1.00 0.19 N ATOM 993 CA LEU A 132 11.861 4.197 0.509 1.00 0.21 C ATOM 994 C LEU A 132 13.371 4.063 0.641 1.00 0.23 C ATOM 995 O LEU A 132 13.904 2.955 0.619 1.00 0.26 O ATOM 996 CB LEU A 132 11.434 3.886 -0.928 1.00 0.23 C ATOM 997 CG LEU A 132 10.055 3.244 -1.072 1.00 0.21 C ATOM 998 CD1 LEU A 132 8.959 4.171 -0.568 1.00 0.16 C ATOM 999 CD2 LEU A 132 9.798 2.857 -2.518 1.00 0.28 C ATOM 0 H LEU A 132 11.125 6.127 0.147 1.00 0.19 H new ATOM 0 HA LEU A 132 11.396 3.475 1.180 1.00 0.21 H new ATOM 0 HB2 LEU A 132 11.448 4.812 -1.503 1.00 0.23 H new ATOM 0 HB3 LEU A 132 12.175 3.223 -1.375 1.00 0.23 H new ATOM 0 HG LEU A 132 10.040 2.343 -0.459 1.00 0.21 H new ATOM 0 HD11 LEU A 132 7.990 3.686 -0.684 1.00 0.16 H new ATOM 0 HD12 LEU A 132 9.128 4.396 0.485 1.00 0.16 H new ATOM 0 HD13 LEU A 132 8.972 5.097 -1.143 1.00 0.16 H new ATOM 0 HD21 LEU A 132 8.812 2.401 -2.603 1.00 0.28 H new ATOM 0 HD22 LEU A 132 9.842 3.747 -3.146 1.00 0.28 H new ATOM 0 HD23 LEU A 132 10.556 2.145 -2.844 1.00 0.28 H new ATOM 1011 N SER A 133 14.056 5.187 0.775 1.00 0.24 N ATOM 1012 CA SER A 133 15.497 5.188 0.955 1.00 0.28 C ATOM 1013 C SER A 133 15.861 4.657 2.336 1.00 0.32 C ATOM 1014 O SER A 133 16.970 4.174 2.558 1.00 0.39 O ATOM 1015 CB SER A 133 16.044 6.602 0.754 1.00 0.33 C ATOM 1016 OG SER A 133 15.284 7.549 1.489 1.00 1.25 O ATOM 0 H SER A 133 13.633 6.115 0.762 1.00 0.24 H new ATOM 0 HA SER A 133 15.949 4.531 0.212 1.00 0.28 H new ATOM 0 HB2 SER A 133 17.086 6.641 1.071 1.00 0.33 H new ATOM 0 HB3 SER A 133 16.023 6.857 -0.306 1.00 0.33 H new ATOM 0 HG SER A 133 15.653 8.446 1.347 1.00 1.25 H new ATOM 1022 N ASP A 134 14.910 4.744 3.257 1.00 0.32 N ATOM 1023 CA ASP A 134 15.099 4.225 4.604 1.00 0.38 C ATOM 1024 C ASP A 134 14.620 2.781 4.673 1.00 0.39 C ATOM 1025 O ASP A 134 15.042 2.005 5.533 1.00 0.49 O ATOM 1026 CB ASP A 134 14.335 5.084 5.615 1.00 0.40 C ATOM 1027 CG ASP A 134 14.614 4.680 7.048 1.00 1.12 C ATOM 1028 OD1 ASP A 134 15.752 4.892 7.513 1.00 1.33 O ATOM 1029 OD2 ASP A 134 13.694 4.164 7.724 1.00 1.93 O ATOM 0 H ASP A 134 13.998 5.170 3.094 1.00 0.32 H new ATOM 0 HA ASP A 134 16.160 4.259 4.851 1.00 0.38 H new ATOM 0 HB2 ASP A 134 14.607 6.130 5.477 1.00 0.40 H new ATOM 0 HB3 ASP A 134 13.266 5.004 5.420 1.00 0.40 H new ATOM 1034 N LEU A 135 13.739 2.430 3.747 1.00 0.34 N ATOM 1035 CA LEU A 135 13.166 1.094 3.690 1.00 0.36 C ATOM 1036 C LEU A 135 14.100 0.145 2.954 1.00 0.39 C ATOM 1037 O LEU A 135 14.466 -0.909 3.475 1.00 0.42 O ATOM 1038 CB LEU A 135 11.819 1.129 2.975 1.00 0.34 C ATOM 1039 CG LEU A 135 10.847 2.198 3.469 1.00 0.30 C ATOM 1040 CD1 LEU A 135 9.531 2.084 2.733 1.00 0.32 C ATOM 1041 CD2 LEU A 135 10.627 2.083 4.968 1.00 0.34 C ATOM 0 H LEU A 135 13.403 3.060 3.018 1.00 0.34 H new ATOM 0 HA LEU A 135 13.027 0.739 4.711 1.00 0.36 H new ATOM 0 HB2 LEU A 135 11.995 1.285 1.911 1.00 0.34 H new ATOM 0 HB3 LEU A 135 11.345 0.153 3.080 1.00 0.34 H new ATOM 0 HG LEU A 135 11.282 3.177 3.266 1.00 0.30 H new ATOM 0 HD11 LEU A 135 8.845 2.851 3.093 1.00 0.32 H new ATOM 0 HD12 LEU A 135 9.699 2.220 1.665 1.00 0.32 H new ATOM 0 HD13 LEU A 135 9.099 1.099 2.910 1.00 0.32 H new ATOM 0 HD21 LEU A 135 9.931 2.856 5.294 1.00 0.34 H new ATOM 0 HD22 LEU A 135 10.214 1.101 5.201 1.00 0.34 H new ATOM 0 HD23 LEU A 135 11.578 2.209 5.486 1.00 0.34 H new ATOM 1053 N LYS A 136 14.479 0.539 1.741 1.00 0.39 N ATOM 1054 CA LYS A 136 15.374 -0.246 0.898 1.00 0.42 C ATOM 1055 C LYS A 136 14.792 -1.634 0.621 1.00 0.41 C ATOM 1056 O LYS A 136 15.284 -2.645 1.134 1.00 0.47 O ATOM 1057 CB LYS A 136 16.759 -0.360 1.550 1.00 0.47 C ATOM 1058 CG LYS A 136 17.848 -0.843 0.607 1.00 1.24 C ATOM 1059 CD LYS A 136 18.120 0.171 -0.493 1.00 1.64 C ATOM 1060 CE LYS A 136 19.212 -0.307 -1.435 1.00 2.49 C ATOM 1061 NZ LYS A 136 20.512 -0.491 -0.738 1.00 2.87 N ATOM 0 H LYS A 136 14.173 1.414 1.315 1.00 0.39 H new ATOM 0 HA LYS A 136 15.480 0.269 -0.057 1.00 0.42 H new ATOM 0 HB2 LYS A 136 17.043 0.614 1.948 1.00 0.47 H new ATOM 0 HB3 LYS A 136 16.696 -1.044 2.396 1.00 0.47 H new ATOM 0 HG2 LYS A 136 18.764 -1.026 1.170 1.00 1.24 H new ATOM 0 HG3 LYS A 136 17.551 -1.793 0.163 1.00 1.24 H new ATOM 0 HD2 LYS A 136 17.205 0.351 -1.057 1.00 1.64 H new ATOM 0 HD3 LYS A 136 18.413 1.122 -0.048 1.00 1.64 H new ATOM 0 HE2 LYS A 136 18.909 -1.250 -1.891 1.00 2.49 H new ATOM 0 HE3 LYS A 136 19.334 0.414 -2.243 1.00 2.49 H new ATOM 0 HZ1 LYS A 136 21.268 -0.618 -1.441 1.00 2.87 H new ATOM 0 HZ2 LYS A 136 20.716 0.347 -0.157 1.00 2.87 H new ATOM 0 HZ3 LYS A 136 20.463 -1.331 -0.127 1.00 2.87 H new ATOM 1075 N VAL A 137 13.729 -1.675 -0.177 1.00 0.37 N ATOM 1076 CA VAL A 137 13.130 -2.942 -0.574 1.00 0.38 C ATOM 1077 C VAL A 137 13.925 -3.566 -1.719 1.00 0.43 C ATOM 1078 O VAL A 137 13.824 -3.138 -2.870 1.00 0.48 O ATOM 1079 CB VAL A 137 11.658 -2.775 -1.008 1.00 0.38 C ATOM 1080 CG1 VAL A 137 11.025 -4.126 -1.308 1.00 0.45 C ATOM 1081 CG2 VAL A 137 10.867 -2.034 0.061 1.00 0.47 C ATOM 0 H VAL A 137 13.268 -0.849 -0.559 1.00 0.37 H new ATOM 0 HA VAL A 137 13.155 -3.596 0.297 1.00 0.38 H new ATOM 0 HB VAL A 137 11.637 -2.183 -1.923 1.00 0.38 H new ATOM 0 HG11 VAL A 137 9.988 -3.983 -1.612 1.00 0.45 H new ATOM 0 HG12 VAL A 137 11.574 -4.615 -2.113 1.00 0.45 H new ATOM 0 HG13 VAL A 137 11.058 -4.750 -0.415 1.00 0.45 H new ATOM 0 HG21 VAL A 137 9.832 -1.925 -0.262 1.00 0.47 H new ATOM 0 HG22 VAL A 137 10.899 -2.598 0.993 1.00 0.47 H new ATOM 0 HG23 VAL A 137 11.303 -1.048 0.218 1.00 0.47 H new ATOM 1091 N THR A 138 14.727 -4.564 -1.382 1.00 0.50 N ATOM 1092 CA THR A 138 15.553 -5.258 -2.355 1.00 0.60 C ATOM 1093 C THR A 138 14.763 -6.365 -3.063 1.00 0.55 C ATOM 1094 O THR A 138 13.732 -6.799 -2.556 1.00 0.51 O ATOM 1095 CB THR A 138 16.790 -5.859 -1.666 1.00 0.73 C ATOM 1096 OG1 THR A 138 16.397 -6.531 -0.461 1.00 0.72 O ATOM 1097 CG2 THR A 138 17.806 -4.776 -1.337 1.00 0.88 C ATOM 0 H THR A 138 14.823 -4.914 -0.429 1.00 0.50 H new ATOM 0 HA THR A 138 15.872 -4.533 -3.104 1.00 0.60 H new ATOM 0 HB THR A 138 17.251 -6.572 -2.350 1.00 0.73 H new ATOM 0 HG1 THR A 138 17.188 -6.913 -0.027 1.00 0.72 H new ATOM 0 HG21 THR A 138 18.672 -5.225 -0.850 1.00 0.88 H new ATOM 0 HG22 THR A 138 18.122 -4.282 -2.256 1.00 0.88 H new ATOM 0 HG23 THR A 138 17.353 -4.044 -0.668 1.00 0.88 H new ATOM 1105 N PRO A 139 15.227 -6.824 -4.243 1.00 0.63 N ATOM 1106 CA PRO A 139 14.524 -7.837 -5.049 1.00 0.67 C ATOM 1107 C PRO A 139 14.028 -9.042 -4.240 1.00 0.63 C ATOM 1108 O PRO A 139 12.867 -9.441 -4.356 1.00 0.74 O ATOM 1109 CB PRO A 139 15.587 -8.276 -6.053 1.00 0.86 C ATOM 1110 CG PRO A 139 16.441 -7.071 -6.236 1.00 0.93 C ATOM 1111 CD PRO A 139 16.473 -6.378 -4.901 1.00 0.77 C ATOM 0 HA PRO A 139 13.618 -7.426 -5.494 1.00 0.67 H new ATOM 0 HB2 PRO A 139 16.165 -9.120 -5.676 1.00 0.86 H new ATOM 0 HB3 PRO A 139 15.138 -8.592 -6.995 1.00 0.86 H new ATOM 0 HG2 PRO A 139 17.445 -7.350 -6.555 1.00 0.93 H new ATOM 0 HG3 PRO A 139 16.032 -6.416 -7.006 1.00 0.93 H new ATOM 0 HD2 PRO A 139 17.354 -6.661 -4.324 1.00 0.77 H new ATOM 0 HD3 PRO A 139 16.500 -5.294 -5.013 1.00 0.77 H new ATOM 1119 N ALA A 140 14.902 -9.606 -3.413 1.00 0.64 N ATOM 1120 CA ALA A 140 14.566 -10.804 -2.647 1.00 0.72 C ATOM 1121 C ALA A 140 13.623 -10.487 -1.488 1.00 0.64 C ATOM 1122 O ALA A 140 12.973 -11.379 -0.939 1.00 0.77 O ATOM 1123 CB ALA A 140 15.831 -11.473 -2.134 1.00 0.89 C ATOM 0 H ALA A 140 15.847 -9.255 -3.255 1.00 0.64 H new ATOM 0 HA ALA A 140 14.046 -11.490 -3.315 1.00 0.72 H new ATOM 0 HB1 ALA A 140 15.566 -12.364 -1.565 1.00 0.89 H new ATOM 0 HB2 ALA A 140 16.461 -11.755 -2.977 1.00 0.89 H new ATOM 0 HB3 ALA A 140 16.374 -10.780 -1.491 1.00 0.89 H new ATOM 1129 N ASN A 141 13.546 -9.216 -1.126 1.00 0.54 N ATOM 1130 CA ASN A 141 12.691 -8.780 -0.029 1.00 0.54 C ATOM 1131 C ASN A 141 11.539 -7.947 -0.566 1.00 0.42 C ATOM 1132 O ASN A 141 10.998 -7.091 0.129 1.00 0.42 O ATOM 1133 CB ASN A 141 13.494 -7.962 0.989 1.00 0.69 C ATOM 1134 CG ASN A 141 14.563 -8.777 1.693 1.00 0.82 C ATOM 1135 OD1 ASN A 141 14.411 -9.983 1.898 1.00 1.10 O ATOM 1136 ND2 ASN A 141 15.656 -8.127 2.065 1.00 1.02 N ATOM 0 H ASN A 141 14.067 -8.464 -1.577 1.00 0.54 H new ATOM 0 HA ASN A 141 12.293 -9.664 0.470 1.00 0.54 H new ATOM 0 HB2 ASN A 141 13.963 -7.119 0.481 1.00 0.69 H new ATOM 0 HB3 ASN A 141 12.813 -7.547 1.732 1.00 0.69 H new ATOM 0 HD21 ASN A 141 16.409 -8.625 2.539 1.00 1.02 H new ATOM 0 HD22 ASN A 141 15.744 -7.128 1.877 1.00 1.02 H new ATOM 1143 N SER A 142 11.164 -8.216 -1.810 1.00 0.36 N ATOM 1144 CA SER A 142 10.139 -7.441 -2.492 1.00 0.31 C ATOM 1145 C SER A 142 8.748 -7.756 -1.946 1.00 0.26 C ATOM 1146 O SER A 142 7.808 -6.999 -2.163 1.00 0.26 O ATOM 1147 CB SER A 142 10.190 -7.724 -3.997 1.00 0.37 C ATOM 1148 OG SER A 142 9.283 -6.903 -4.716 1.00 1.23 O ATOM 0 H SER A 142 11.559 -8.972 -2.370 1.00 0.36 H new ATOM 0 HA SER A 142 10.337 -6.384 -2.314 1.00 0.31 H new ATOM 0 HB2 SER A 142 11.202 -7.557 -4.365 1.00 0.37 H new ATOM 0 HB3 SER A 142 9.954 -8.773 -4.178 1.00 0.37 H new ATOM 0 HG SER A 142 9.343 -7.109 -5.672 1.00 1.23 H new ATOM 1154 N THR A 143 8.619 -8.871 -1.237 1.00 0.30 N ATOM 1155 CA THR A 143 7.326 -9.280 -0.709 1.00 0.31 C ATOM 1156 C THR A 143 6.863 -8.345 0.405 1.00 0.25 C ATOM 1157 O THR A 143 7.340 -8.414 1.540 1.00 0.34 O ATOM 1158 CB THR A 143 7.357 -10.723 -0.177 1.00 0.41 C ATOM 1159 OG1 THR A 143 7.888 -11.604 -1.180 1.00 0.48 O ATOM 1160 CG2 THR A 143 5.956 -11.179 0.211 1.00 0.45 C ATOM 0 H THR A 143 9.388 -9.503 -1.016 1.00 0.30 H new ATOM 0 HA THR A 143 6.621 -9.228 -1.539 1.00 0.31 H new ATOM 0 HB THR A 143 7.995 -10.752 0.706 1.00 0.41 H new ATOM 0 HG1 THR A 143 7.906 -12.521 -0.834 1.00 0.48 H new ATOM 0 HG21 THR A 143 5.997 -12.202 0.585 1.00 0.45 H new ATOM 0 HG22 THR A 143 5.562 -10.524 0.988 1.00 0.45 H new ATOM 0 HG23 THR A 143 5.305 -11.138 -0.662 1.00 0.45 H new ATOM 1168 N ILE A 144 5.930 -7.472 0.066 1.00 0.20 N ATOM 1169 CA ILE A 144 5.376 -6.525 1.013 1.00 0.18 C ATOM 1170 C ILE A 144 3.965 -6.952 1.394 1.00 0.18 C ATOM 1171 O ILE A 144 3.214 -7.438 0.552 1.00 0.24 O ATOM 1172 CB ILE A 144 5.317 -5.103 0.410 1.00 0.21 C ATOM 1173 CG1 ILE A 144 6.661 -4.715 -0.214 1.00 0.22 C ATOM 1174 CG2 ILE A 144 4.919 -4.086 1.470 1.00 0.27 C ATOM 1175 CD1 ILE A 144 7.807 -4.656 0.775 1.00 0.25 C ATOM 0 H ILE A 144 5.537 -7.401 -0.873 1.00 0.20 H new ATOM 0 HA ILE A 144 6.021 -6.510 1.891 1.00 0.18 H new ATOM 0 HB ILE A 144 4.561 -5.105 -0.375 1.00 0.21 H new ATOM 0 HG12 ILE A 144 6.907 -5.433 -0.997 1.00 0.22 H new ATOM 0 HG13 ILE A 144 6.559 -3.742 -0.694 1.00 0.22 H new ATOM 0 HG21 ILE A 144 4.883 -3.092 1.025 1.00 0.27 H new ATOM 0 HG22 ILE A 144 3.937 -4.341 1.868 1.00 0.27 H new ATOM 0 HG23 ILE A 144 5.651 -4.096 2.277 1.00 0.27 H new ATOM 0 HD11 ILE A 144 8.723 -4.375 0.255 1.00 0.25 H new ATOM 0 HD12 ILE A 144 7.585 -3.917 1.545 1.00 0.25 H new ATOM 0 HD13 ILE A 144 7.939 -5.634 1.238 1.00 0.25 H new ATOM 1187 N THR A 145 3.606 -6.787 2.650 1.00 0.14 N ATOM 1188 CA THR A 145 2.255 -7.083 3.085 1.00 0.14 C ATOM 1189 C THR A 145 1.435 -5.803 3.093 1.00 0.14 C ATOM 1190 O THR A 145 1.762 -4.858 3.810 1.00 0.19 O ATOM 1191 CB THR A 145 2.244 -7.711 4.488 1.00 0.17 C ATOM 1192 OG1 THR A 145 3.211 -8.769 4.540 1.00 0.21 O ATOM 1193 CG2 THR A 145 0.867 -8.267 4.825 1.00 0.19 C ATOM 0 H THR A 145 4.227 -6.451 3.386 1.00 0.14 H new ATOM 0 HA THR A 145 1.821 -7.801 2.389 1.00 0.14 H new ATOM 0 HB THR A 145 2.492 -6.939 5.217 1.00 0.17 H new ATOM 0 HG1 THR A 145 3.208 -9.171 5.434 1.00 0.21 H new ATOM 0 HG21 THR A 145 0.886 -8.706 5.823 1.00 0.19 H new ATOM 0 HG22 THR A 145 0.133 -7.462 4.796 1.00 0.19 H new ATOM 0 HG23 THR A 145 0.595 -9.032 4.097 1.00 0.19 H new ATOM 1201 N VAL A 146 0.394 -5.754 2.278 1.00 0.14 N ATOM 1202 CA VAL A 146 -0.430 -4.566 2.208 1.00 0.15 C ATOM 1203 C VAL A 146 -1.859 -4.863 2.671 1.00 0.15 C ATOM 1204 O VAL A 146 -2.607 -5.614 2.045 1.00 0.19 O ATOM 1205 CB VAL A 146 -0.411 -3.933 0.792 1.00 0.15 C ATOM 1206 CG1 VAL A 146 -1.068 -4.819 -0.249 1.00 0.16 C ATOM 1207 CG2 VAL A 146 -1.060 -2.563 0.816 1.00 0.20 C ATOM 0 H VAL A 146 0.104 -6.515 1.664 1.00 0.14 H new ATOM 0 HA VAL A 146 -0.003 -3.830 2.890 1.00 0.15 H new ATOM 0 HB VAL A 146 0.634 -3.827 0.502 1.00 0.15 H new ATOM 0 HG11 VAL A 146 -1.028 -4.329 -1.222 1.00 0.16 H new ATOM 0 HG12 VAL A 146 -0.541 -5.772 -0.301 1.00 0.16 H new ATOM 0 HG13 VAL A 146 -2.108 -4.994 0.026 1.00 0.16 H new ATOM 0 HG21 VAL A 146 -1.038 -2.133 -0.185 1.00 0.20 H new ATOM 0 HG22 VAL A 146 -2.094 -2.656 1.149 1.00 0.20 H new ATOM 0 HG23 VAL A 146 -0.515 -1.914 1.502 1.00 0.20 H new ATOM 1217 N MET A 147 -2.211 -4.294 3.807 1.00 0.17 N ATOM 1218 CA MET A 147 -3.531 -4.471 4.382 1.00 0.18 C ATOM 1219 C MET A 147 -4.402 -3.277 4.019 1.00 0.15 C ATOM 1220 O MET A 147 -4.269 -2.205 4.607 1.00 0.19 O ATOM 1221 CB MET A 147 -3.421 -4.604 5.907 1.00 0.24 C ATOM 1222 CG MET A 147 -2.468 -5.699 6.359 1.00 0.26 C ATOM 1223 SD MET A 147 -2.289 -5.775 8.154 1.00 0.95 S ATOM 1224 CE MET A 147 -3.942 -6.263 8.646 1.00 1.62 C ATOM 0 H MET A 147 -1.593 -3.697 4.357 1.00 0.17 H new ATOM 0 HA MET A 147 -3.984 -5.379 3.985 1.00 0.18 H new ATOM 0 HB2 MET A 147 -3.090 -3.652 6.323 1.00 0.24 H new ATOM 0 HB3 MET A 147 -4.411 -4.804 6.318 1.00 0.24 H new ATOM 0 HG2 MET A 147 -2.828 -6.661 5.993 1.00 0.26 H new ATOM 0 HG3 MET A 147 -1.490 -5.532 5.908 1.00 0.26 H new ATOM 0 HE1 MET A 147 -3.924 -6.624 9.674 1.00 1.62 H new ATOM 0 HE2 MET A 147 -4.611 -5.405 8.574 1.00 1.62 H new ATOM 0 HE3 MET A 147 -4.298 -7.057 7.989 1.00 1.62 H new ATOM 1234 N ILE A 148 -5.278 -3.455 3.042 1.00 0.12 N ATOM 1235 CA ILE A 148 -6.133 -2.364 2.591 1.00 0.09 C ATOM 1236 C ILE A 148 -7.595 -2.716 2.755 1.00 0.10 C ATOM 1237 O ILE A 148 -8.007 -3.836 2.442 1.00 0.14 O ATOM 1238 CB ILE A 148 -5.920 -2.021 1.105 1.00 0.11 C ATOM 1239 CG1 ILE A 148 -4.449 -1.766 0.805 1.00 0.12 C ATOM 1240 CG2 ILE A 148 -6.758 -0.809 0.736 1.00 0.19 C ATOM 1241 CD1 ILE A 148 -4.171 -1.479 -0.656 1.00 0.14 C ATOM 0 H ILE A 148 -5.416 -4.337 2.548 1.00 0.12 H new ATOM 0 HA ILE A 148 -5.860 -1.508 3.208 1.00 0.09 H new ATOM 0 HB ILE A 148 -6.237 -2.873 0.503 1.00 0.11 H new ATOM 0 HG12 ILE A 148 -4.105 -0.923 1.404 1.00 0.12 H new ATOM 0 HG13 ILE A 148 -3.868 -2.635 1.113 1.00 0.12 H new ATOM 0 HG21 ILE A 148 -6.606 -0.568 -0.316 1.00 0.19 H new ATOM 0 HG22 ILE A 148 -7.811 -1.029 0.909 1.00 0.19 H new ATOM 0 HG23 ILE A 148 -6.459 0.041 1.350 1.00 0.19 H new ATOM 0 HD11 ILE A 148 -3.104 -1.307 -0.796 1.00 0.14 H new ATOM 0 HD12 ILE A 148 -4.484 -2.331 -1.260 1.00 0.14 H new ATOM 0 HD13 ILE A 148 -4.725 -0.592 -0.964 1.00 0.14 H new ATOM 1253 N LYS A 149 -8.373 -1.757 3.223 1.00 0.12 N ATOM 1254 CA LYS A 149 -9.818 -1.904 3.278 1.00 0.16 C ATOM 1255 C LYS A 149 -10.461 -0.703 2.584 1.00 0.22 C ATOM 1256 O LYS A 149 -10.426 0.412 3.105 1.00 0.34 O ATOM 1257 CB LYS A 149 -10.297 -1.996 4.729 1.00 0.22 C ATOM 1258 CG LYS A 149 -9.439 -2.905 5.607 1.00 0.35 C ATOM 1259 CD LYS A 149 -9.394 -4.351 5.140 1.00 0.66 C ATOM 1260 CE LYS A 149 -10.769 -4.877 4.849 1.00 0.76 C ATOM 1261 NZ LYS A 149 -11.572 -5.084 6.086 1.00 1.18 N ATOM 0 H LYS A 149 -8.027 -0.863 3.572 1.00 0.12 H new ATOM 0 HA LYS A 149 -10.108 -2.824 2.770 1.00 0.16 H new ATOM 0 HB2 LYS A 149 -10.309 -0.996 5.161 1.00 0.22 H new ATOM 0 HB3 LYS A 149 -11.324 -2.361 4.740 1.00 0.22 H new ATOM 0 HG2 LYS A 149 -8.423 -2.511 5.636 1.00 0.35 H new ATOM 0 HG3 LYS A 149 -9.822 -2.875 6.627 1.00 0.35 H new ATOM 0 HD2 LYS A 149 -8.777 -4.426 4.244 1.00 0.66 H new ATOM 0 HD3 LYS A 149 -8.922 -4.967 5.905 1.00 0.66 H new ATOM 0 HE2 LYS A 149 -11.290 -4.180 4.193 1.00 0.76 H new ATOM 0 HE3 LYS A 149 -10.687 -5.821 4.310 1.00 0.76 H new ATOM 0 HZ1 LYS A 149 -12.513 -5.448 5.832 1.00 1.18 H new ATOM 0 HZ2 LYS A 149 -11.090 -5.770 6.702 1.00 1.18 H new ATOM 0 HZ3 LYS A 149 -11.675 -4.179 6.589 1.00 1.18 H new ATOM 1275 N PRO A 150 -11.023 -0.906 1.382 1.00 0.23 N ATOM 1276 CA PRO A 150 -11.610 0.177 0.584 1.00 0.30 C ATOM 1277 C PRO A 150 -12.855 0.776 1.229 1.00 0.45 C ATOM 1278 O PRO A 150 -13.422 0.215 2.170 1.00 0.78 O ATOM 1279 CB PRO A 150 -11.984 -0.500 -0.742 1.00 0.47 C ATOM 1280 CG PRO A 150 -11.262 -1.803 -0.738 1.00 0.44 C ATOM 1281 CD PRO A 150 -11.138 -2.201 0.701 1.00 0.29 C ATOM 0 HA PRO A 150 -10.912 1.007 0.475 1.00 0.30 H new ATOM 0 HB2 PRO A 150 -13.061 -0.648 -0.817 1.00 0.47 H new ATOM 0 HB3 PRO A 150 -11.686 0.112 -1.593 1.00 0.47 H new ATOM 0 HG2 PRO A 150 -11.811 -2.555 -1.305 1.00 0.44 H new ATOM 0 HG3 PRO A 150 -10.281 -1.707 -1.202 1.00 0.44 H new ATOM 0 HD2 PRO A 150 -12.007 -2.763 1.043 1.00 0.29 H new ATOM 0 HD3 PRO A 150 -10.264 -2.829 0.874 1.00 0.29 H new