USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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 27 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 28 ASN : amide:sc= -1.04 K(o=-5.1,f=-13) USER MOD Set 1.3: A 64 ASN :FLIP amide:sc= -4.04! C(o=-10!,f=-5.1!) USER MOD Single : A 3 SER OG : rot -16:sc= -0.562 USER MOD Single : A 4 THR OG1 : rot -157:sc= -2.89 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -167:sc= -0.0232 (180deg=-0.312) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -2.31 X(o=-2.3,f=-2.6) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0808 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -1.46 K(o=-1.5,f=-2) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.72 X(o=-1.7,f=-1.6) USER MOD Single : A 30 THR OG1 : rot -8:sc= 0.777! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.028 USER MOD Single : A 45 MET CE :methyl -165:sc= -0.0977 (180deg=-0.544) USER MOD Single : A 50 LYS NZ :NH3+ -101:sc= -0.46 (180deg=-2.08!) USER MOD Single : A 52 ASN : amide:sc= -0.0719 K(o=-0.072,f=-1.9) USER MOD Single : A 54 THR OG1 : rot -50:sc= 0.542 USER MOD Single : A 56 SER OG : rot 31:sc= 0.0897 USER MOD Single : A 58 GLN : amide:sc= -0.0486 X(o=-0.049,f=-0.38) USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.062) USER MOD Single : A 65 THR OG1 : rot 170:sc= -0.26 USER MOD Single : A 67 GLN : amide:sc= 0.265 X(o=0.27,f=-0.0099) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.689 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.333 X(o=0.33,f=-0.086) USER MOD Single : A 77 ASN : amide:sc= -3.55 K(o=-3.6,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 -0.558 6.170 0.138 1.00 0.00 N ATOM 43 CA SER A 3 0.011 5.114 0.968 1.00 0.00 C ATOM 44 C SER A 3 -1.011 4.611 1.983 1.00 0.00 C ATOM 45 O SER A 3 -1.550 3.512 1.848 1.00 0.00 O ATOM 46 CB SER A 3 1.259 5.622 1.693 1.00 0.00 C ATOM 47 OG SER A 3 1.442 7.011 1.480 1.00 0.00 O ATOM 0 HA SER A 3 0.290 4.285 0.317 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.169 5.423 2.761 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.135 5.078 1.340 1.00 0.00 H new ATOM 0 HG SER A 3 0.889 7.302 0.725 1.00 0.00 H new ATOM 53 N THR A 4 -1.274 5.424 3.002 1.00 0.00 N ATOM 54 CA THR A 4 -2.230 5.063 4.041 1.00 0.00 C ATOM 55 C THR A 4 -3.607 4.784 3.449 1.00 0.00 C ATOM 56 O THR A 4 -4.421 4.082 4.049 1.00 0.00 O ATOM 57 CB THR A 4 -2.355 6.175 5.100 1.00 0.00 C ATOM 58 OG1 THR A 4 -1.059 6.688 5.427 1.00 0.00 O ATOM 59 CG2 THR A 4 -3.031 5.650 6.358 1.00 0.00 C ATOM 0 H THR A 4 -0.838 6.337 3.129 1.00 0.00 H new ATOM 0 HA THR A 4 -1.852 4.158 4.517 1.00 0.00 H new ATOM 0 HB THR A 4 -2.967 6.975 4.685 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.086 7.103 6.315 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.108 6.453 7.091 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.029 5.287 6.111 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.441 4.834 6.774 1.00 0.00 H new ATOM 67 N PHE A 5 -3.861 5.338 2.268 1.00 0.00 N ATOM 68 CA PHE A 5 -5.140 5.148 1.594 1.00 0.00 C ATOM 69 C PHE A 5 -5.520 3.671 1.553 1.00 0.00 C ATOM 70 O PHE A 5 -6.696 3.318 1.640 1.00 0.00 O ATOM 71 CB PHE A 5 -5.081 5.711 0.173 1.00 0.00 C ATOM 72 CG PHE A 5 -6.399 5.667 -0.545 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.583 5.888 0.139 1.00 0.00 C ATOM 74 CD2 PHE A 5 -6.454 5.406 -1.905 1.00 0.00 C ATOM 75 CE1 PHE A 5 -8.798 5.847 -0.519 1.00 0.00 C ATOM 76 CE2 PHE A 5 -7.666 5.364 -2.569 1.00 0.00 C ATOM 77 CZ PHE A 5 -8.839 5.586 -1.875 1.00 0.00 C ATOM 0 H PHE A 5 -3.198 5.922 1.758 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.902 5.685 2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.733 6.743 0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.345 5.149 -0.401 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.557 6.095 1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.539 5.233 -2.453 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.714 6.019 0.026 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.695 5.158 -3.629 1.00 0.00 H new ATOM 0 HZ PHE A 5 -9.787 5.556 -2.391 1.00 0.00 H new ATOM 87 N ASP A 6 -4.515 2.812 1.419 1.00 0.00 N ATOM 88 CA ASP A 6 -4.742 1.372 1.366 1.00 0.00 C ATOM 89 C ASP A 6 -5.523 0.900 2.588 1.00 0.00 C ATOM 90 O ASP A 6 -6.648 0.414 2.468 1.00 0.00 O ATOM 91 CB ASP A 6 -3.409 0.627 1.278 1.00 0.00 C ATOM 92 CG ASP A 6 -3.328 -0.274 0.062 1.00 0.00 C ATOM 93 OD1 ASP A 6 -3.784 0.149 -1.021 1.00 0.00 O ATOM 94 OD2 ASP A 6 -2.808 -1.401 0.193 1.00 0.00 O ATOM 0 H ASP A 6 -3.536 3.088 1.345 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.330 1.154 0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.594 1.350 1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.270 0.030 2.179 1.00 0.00 H new ATOM 99 N ASP A 7 -4.919 1.046 3.762 1.00 0.00 N ATOM 100 CA ASP A 7 -5.558 0.634 5.007 1.00 0.00 C ATOM 101 C ASP A 7 -6.762 1.518 5.318 1.00 0.00 C ATOM 102 O ASP A 7 -7.749 1.059 5.894 1.00 0.00 O ATOM 103 CB ASP A 7 -4.557 0.690 6.162 1.00 0.00 C ATOM 104 CG ASP A 7 -3.480 -0.371 6.046 1.00 0.00 C ATOM 105 OD1 ASP A 7 -3.359 -0.977 4.961 1.00 0.00 O ATOM 106 OD2 ASP A 7 -2.759 -0.595 7.041 1.00 0.00 O ATOM 0 H ASP A 7 -3.988 1.446 3.878 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.905 -0.392 4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.091 1.675 6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.088 0.563 7.106 1.00 0.00 H new ATOM 111 N ILE A 8 -6.673 2.787 4.934 1.00 0.00 N ATOM 112 CA ILE A 8 -7.755 3.735 5.172 1.00 0.00 C ATOM 113 C ILE A 8 -9.018 3.326 4.422 1.00 0.00 C ATOM 114 O ILE A 8 -10.128 3.453 4.939 1.00 0.00 O ATOM 115 CB ILE A 8 -7.357 5.161 4.747 1.00 0.00 C ATOM 116 CG1 ILE A 8 -6.740 5.915 5.927 1.00 0.00 C ATOM 117 CG2 ILE A 8 -8.567 5.909 4.208 1.00 0.00 C ATOM 118 CD1 ILE A 8 -5.996 7.168 5.521 1.00 0.00 C ATOM 0 H ILE A 8 -5.863 3.183 4.457 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.953 3.726 6.244 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.612 5.094 3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.529 6.182 6.630 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.056 5.251 6.454 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.270 6.915 3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.967 5.379 3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.332 5.969 4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.585 7.651 6.408 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.185 6.906 4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.681 7.852 5.020 1.00 0.00 H new ATOM 130 N LYS A 9 -8.841 2.834 3.201 1.00 0.00 N ATOM 131 CA LYS A 9 -9.966 2.403 2.379 1.00 0.00 C ATOM 132 C LYS A 9 -10.472 1.034 2.824 1.00 0.00 C ATOM 133 O LYS A 9 -11.626 0.679 2.583 1.00 0.00 O ATOM 134 CB LYS A 9 -9.558 2.353 0.905 1.00 0.00 C ATOM 135 CG LYS A 9 -9.058 0.990 0.458 1.00 0.00 C ATOM 136 CD LYS A 9 -8.060 1.108 -0.682 1.00 0.00 C ATOM 137 CE LYS A 9 -8.721 1.632 -1.948 1.00 0.00 C ATOM 138 NZ LYS A 9 -8.028 1.152 -3.175 1.00 0.00 N ATOM 0 H LYS A 9 -7.929 2.724 2.758 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.772 3.127 2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.412 2.637 0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.778 3.093 0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.591 0.479 1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.902 0.378 0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.249 1.776 -0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.614 0.133 -0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.763 1.314 -1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.721 2.722 -1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.509 1.531 -4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.040 1.477 -3.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.051 0.113 -3.202 1.00 0.00 H new ATOM 152 N LYS A 10 -9.602 0.270 3.475 1.00 0.00 N ATOM 153 CA LYS A 10 -9.961 -1.059 3.957 1.00 0.00 C ATOM 154 C LYS A 10 -10.715 -0.972 5.280 1.00 0.00 C ATOM 155 O LYS A 10 -11.605 -1.778 5.552 1.00 0.00 O ATOM 156 CB LYS A 10 -8.706 -1.918 4.128 1.00 0.00 C ATOM 157 CG LYS A 10 -8.311 -2.136 5.578 1.00 0.00 C ATOM 158 CD LYS A 10 -7.004 -2.902 5.691 1.00 0.00 C ATOM 159 CE LYS A 10 -7.105 -4.275 5.046 1.00 0.00 C ATOM 160 NZ LYS A 10 -8.243 -5.064 5.596 1.00 0.00 N ATOM 0 H LYS A 10 -8.643 0.548 3.681 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.613 -1.523 3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.872 -2.886 3.656 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.877 -1.444 3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.213 -1.172 6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.100 -2.684 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.205 -2.333 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.735 -3.011 6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.228 -4.162 3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.175 -4.820 5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.151 -6.057 5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.234 -5.008 6.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.139 -4.678 5.236 1.00 0.00 H new ATOM 174 N ILE A 11 -10.353 0.010 6.099 1.00 0.00 N ATOM 175 CA ILE A 11 -10.998 0.202 7.392 1.00 0.00 C ATOM 176 C ILE A 11 -12.354 0.881 7.235 1.00 0.00 C ATOM 177 O ILE A 11 -13.305 0.563 7.949 1.00 0.00 O ATOM 178 CB ILE A 11 -10.121 1.043 8.339 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.849 2.420 7.728 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.815 0.321 8.634 1.00 0.00 C ATOM 181 CD1 ILE A 11 -8.879 3.256 8.532 1.00 0.00 C ATOM 0 H ILE A 11 -9.617 0.685 5.890 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.139 -0.789 7.824 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.656 1.182 9.278 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.455 2.290 6.720 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.791 2.960 7.635 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.207 0.928 9.304 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.028 -0.638 9.106 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.273 0.155 7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.733 4.218 8.040 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.280 3.417 9.533 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.923 2.737 8.603 1.00 0.00 H new ATOM 193 N ILE A 12 -12.436 1.817 6.295 1.00 0.00 N ATOM 194 CA ILE A 12 -13.676 2.538 6.042 1.00 0.00 C ATOM 195 C ILE A 12 -14.662 1.679 5.258 1.00 0.00 C ATOM 196 O ILE A 12 -15.876 1.807 5.417 1.00 0.00 O ATOM 197 CB ILE A 12 -13.420 3.844 5.266 1.00 0.00 C ATOM 198 CG1 ILE A 12 -12.804 3.538 3.900 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.514 4.767 6.068 1.00 0.00 C ATOM 200 CD1 ILE A 12 -13.761 3.741 2.746 1.00 0.00 C ATOM 0 H ILE A 12 -11.658 2.093 5.696 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.103 2.781 7.015 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.373 4.349 5.108 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.931 4.174 3.754 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.452 2.506 3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.342 5.686 5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.989 5.006 7.019 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.561 4.271 6.253 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.256 3.505 1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -14.623 3.085 2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -14.094 4.779 2.728 1.00 0.00 H new ATOM 212 N SER A 13 -14.132 0.802 4.412 1.00 0.00 N ATOM 213 CA SER A 13 -14.965 -0.078 3.601 1.00 0.00 C ATOM 214 C SER A 13 -15.553 -1.202 4.448 1.00 0.00 C ATOM 215 O SER A 13 -16.702 -1.603 4.258 1.00 0.00 O ATOM 216 CB SER A 13 -14.150 -0.667 2.448 1.00 0.00 C ATOM 217 OG SER A 13 -14.945 -1.523 1.647 1.00 0.00 O ATOM 0 H SER A 13 -13.129 0.682 4.270 1.00 0.00 H new ATOM 0 HA SER A 13 -15.785 0.513 3.193 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.746 0.139 1.835 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.300 -1.221 2.845 1.00 0.00 H new ATOM 0 HG SER A 13 -14.402 -1.885 0.916 1.00 0.00 H new ATOM 223 N LYS A 14 -14.758 -1.707 5.385 1.00 0.00 N ATOM 224 CA LYS A 14 -15.198 -2.784 6.264 1.00 0.00 C ATOM 225 C LYS A 14 -16.069 -2.243 7.393 1.00 0.00 C ATOM 226 O LYS A 14 -16.912 -2.957 7.934 1.00 0.00 O ATOM 227 CB LYS A 14 -13.989 -3.521 6.846 1.00 0.00 C ATOM 228 CG LYS A 14 -13.288 -2.757 7.956 1.00 0.00 C ATOM 229 CD LYS A 14 -13.716 -3.249 9.328 1.00 0.00 C ATOM 230 CE LYS A 14 -12.548 -3.849 10.095 1.00 0.00 C ATOM 231 NZ LYS A 14 -12.953 -5.054 10.871 1.00 0.00 N ATOM 0 H LYS A 14 -13.805 -1.387 5.555 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.792 -3.482 5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.314 -4.488 7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.276 -3.720 6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.209 -2.867 7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.511 -1.694 7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.139 -2.421 9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.503 -3.996 9.219 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.755 -4.116 9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.137 -3.102 10.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.129 -5.433 11.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.692 -4.794 11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.321 -5.778 10.221 1.00 0.00 H new ATOM 245 N GLN A 15 -15.859 -0.978 7.742 1.00 0.00 N ATOM 246 CA GLN A 15 -16.626 -0.342 8.807 1.00 0.00 C ATOM 247 C GLN A 15 -18.000 0.089 8.305 1.00 0.00 C ATOM 248 O GLN A 15 -19.026 -0.425 8.752 1.00 0.00 O ATOM 249 CB GLN A 15 -15.869 0.866 9.359 1.00 0.00 C ATOM 250 CG GLN A 15 -14.864 0.512 10.443 1.00 0.00 C ATOM 251 CD GLN A 15 -15.486 -0.272 11.581 1.00 0.00 C ATOM 252 OE1 GLN A 15 -14.933 -1.274 12.036 1.00 0.00 O ATOM 253 NE2 GLN A 15 -16.644 0.180 12.049 1.00 0.00 N ATOM 0 H GLN A 15 -15.165 -0.373 7.303 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.763 -1.071 9.606 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -15.348 1.363 8.540 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -16.587 1.581 9.760 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.054 -0.071 10.005 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.422 1.427 10.836 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -17.067 1.014 11.643 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -17.110 -0.307 12.815 1.00 0.00 H new ATOM 262 N LEU A 16 -18.013 1.036 7.373 1.00 0.00 N ATOM 263 CA LEU A 16 -19.261 1.538 6.810 1.00 0.00 C ATOM 264 C LEU A 16 -19.375 1.179 5.332 1.00 0.00 C ATOM 265 O LEU A 16 -20.217 0.370 4.942 1.00 0.00 O ATOM 266 CB LEU A 16 -19.350 3.055 6.986 1.00 0.00 C ATOM 267 CG LEU A 16 -18.765 3.616 8.283 1.00 0.00 C ATOM 268 CD1 LEU A 16 -17.276 3.879 8.127 1.00 0.00 C ATOM 269 CD2 LEU A 16 -19.494 4.888 8.690 1.00 0.00 C ATOM 0 H LEU A 16 -17.173 1.471 6.992 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.086 1.068 7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.841 3.528 6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -20.399 3.346 6.928 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.901 2.875 9.071 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.877 4.278 9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.766 2.947 7.883 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.116 4.601 7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -19.065 5.273 9.615 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.390 5.635 7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.550 4.668 8.844 1.00 0.00 H new ATOM 281 N SER A 17 -18.519 1.783 4.513 1.00 0.00 N ATOM 282 CA SER A 17 -18.524 1.528 3.078 1.00 0.00 C ATOM 283 C SER A 17 -17.359 2.237 2.396 1.00 0.00 C ATOM 284 O SER A 17 -16.455 2.749 3.057 1.00 0.00 O ATOM 285 CB SER A 17 -19.847 1.988 2.461 1.00 0.00 C ATOM 286 OG SER A 17 -19.768 3.336 2.031 1.00 0.00 O ATOM 0 H SER A 17 -17.813 2.453 4.820 1.00 0.00 H new ATOM 0 HA SER A 17 -18.413 0.454 2.925 1.00 0.00 H new ATOM 0 HB2 SER A 17 -20.100 1.348 1.616 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.649 1.883 3.192 1.00 0.00 H new ATOM 0 HG SER A 17 -20.625 3.605 1.639 1.00 0.00 H new ATOM 292 N VAL A 18 -17.386 2.264 1.067 1.00 0.00 N ATOM 293 CA VAL A 18 -16.333 2.911 0.294 1.00 0.00 C ATOM 294 C VAL A 18 -16.697 4.356 -0.029 1.00 0.00 C ATOM 295 O VAL A 18 -17.436 4.624 -0.975 1.00 0.00 O ATOM 296 CB VAL A 18 -16.058 2.157 -1.021 1.00 0.00 C ATOM 297 CG1 VAL A 18 -15.323 0.854 -0.746 1.00 0.00 C ATOM 298 CG2 VAL A 18 -17.357 1.898 -1.768 1.00 0.00 C ATOM 0 H VAL A 18 -18.126 1.845 0.504 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.433 2.894 0.909 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.422 2.779 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -15.138 0.335 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -14.373 1.068 -0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -15.931 0.223 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -17.144 1.365 -2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -18.020 1.296 -1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.839 2.848 -1.999 1.00 0.00 H new ATOM 308 N GLU A 19 -16.171 5.284 0.765 1.00 0.00 N ATOM 309 CA GLU A 19 -16.441 6.703 0.563 1.00 0.00 C ATOM 310 C GLU A 19 -15.177 7.442 0.135 1.00 0.00 C ATOM 311 O GLU A 19 -15.011 8.627 0.424 1.00 0.00 O ATOM 312 CB GLU A 19 -17.000 7.325 1.845 1.00 0.00 C ATOM 313 CG GLU A 19 -16.231 6.936 3.096 1.00 0.00 C ATOM 314 CD GLU A 19 -16.879 7.455 4.364 1.00 0.00 C ATOM 315 OE1 GLU A 19 -17.117 8.678 4.452 1.00 0.00 O ATOM 316 OE2 GLU A 19 -17.149 6.638 5.269 1.00 0.00 O ATOM 0 H GLU A 19 -15.556 5.079 1.553 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.182 6.797 -0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.991 8.410 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.041 7.024 1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.156 5.850 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.214 7.322 3.028 1.00 0.00 H new ATOM 323 N GLU A 20 -14.289 6.733 -0.556 1.00 0.00 N ATOM 324 CA GLU A 20 -13.039 7.322 -1.023 1.00 0.00 C ATOM 325 C GLU A 20 -13.308 8.496 -1.960 1.00 0.00 C ATOM 326 O GLU A 20 -12.460 9.372 -2.132 1.00 0.00 O ATOM 327 CB GLU A 20 -12.189 6.269 -1.737 1.00 0.00 C ATOM 328 CG GLU A 20 -12.958 5.466 -2.772 1.00 0.00 C ATOM 329 CD GLU A 20 -12.170 5.256 -4.050 1.00 0.00 C ATOM 330 OE1 GLU A 20 -11.982 6.237 -4.799 1.00 0.00 O ATOM 331 OE2 GLU A 20 -11.741 4.110 -4.302 1.00 0.00 O ATOM 0 H GLU A 20 -14.412 5.751 -0.804 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.493 7.691 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.348 6.762 -2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.773 5.587 -0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.224 4.497 -2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.891 5.979 -3.005 1.00 0.00 H new ATOM 338 N ASP A 21 -14.491 8.505 -2.563 1.00 0.00 N ATOM 339 CA ASP A 21 -14.872 9.571 -3.483 1.00 0.00 C ATOM 340 C ASP A 21 -15.650 10.664 -2.756 1.00 0.00 C ATOM 341 O ASP A 21 -16.222 11.555 -3.383 1.00 0.00 O ATOM 342 CB ASP A 21 -15.712 9.007 -4.630 1.00 0.00 C ATOM 343 CG ASP A 21 -14.860 8.429 -5.742 1.00 0.00 C ATOM 344 OD1 ASP A 21 -13.918 9.118 -6.186 1.00 0.00 O ATOM 345 OD2 ASP A 21 -15.135 7.288 -6.169 1.00 0.00 O ATOM 0 H ASP A 21 -15.203 7.787 -2.432 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.961 10.009 -3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.375 8.232 -4.244 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.346 9.796 -5.035 1.00 0.00 H new ATOM 350 N LYS A 22 -15.666 10.588 -1.429 1.00 0.00 N ATOM 351 CA LYS A 22 -16.373 11.571 -0.616 1.00 0.00 C ATOM 352 C LYS A 22 -15.729 11.700 0.762 1.00 0.00 C ATOM 353 O LYS A 22 -16.337 12.227 1.694 1.00 0.00 O ATOM 354 CB LYS A 22 -17.844 11.177 -0.468 1.00 0.00 C ATOM 355 CG LYS A 22 -18.073 9.676 -0.440 1.00 0.00 C ATOM 356 CD LYS A 22 -19.108 9.289 0.602 1.00 0.00 C ATOM 357 CE LYS A 22 -20.493 9.796 0.228 1.00 0.00 C ATOM 358 NZ LYS A 22 -21.501 9.481 1.277 1.00 0.00 N ATOM 0 H LYS A 22 -15.198 9.856 -0.894 1.00 0.00 H new ATOM 0 HA LYS A 22 -16.311 12.536 -1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -18.237 11.613 0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -18.411 11.607 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.402 9.339 -1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.133 9.168 -0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -19.133 8.204 0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.820 9.696 1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.455 10.874 0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -20.801 9.348 -0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -22.431 9.843 0.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -21.556 8.451 1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -21.221 9.929 2.173 1.00 0.00 H new ATOM 372 N ILE A 23 -14.497 11.217 0.882 1.00 0.00 N ATOM 373 CA ILE A 23 -13.772 11.282 2.144 1.00 0.00 C ATOM 374 C ILE A 23 -12.375 11.859 1.947 1.00 0.00 C ATOM 375 O ILE A 23 -11.838 12.527 2.830 1.00 0.00 O ATOM 376 CB ILE A 23 -13.654 9.892 2.797 1.00 0.00 C ATOM 377 CG1 ILE A 23 -13.225 10.026 4.260 1.00 0.00 C ATOM 378 CG2 ILE A 23 -12.666 9.028 2.028 1.00 0.00 C ATOM 379 CD1 ILE A 23 -13.835 8.980 5.167 1.00 0.00 C ATOM 0 H ILE A 23 -13.981 10.777 0.121 1.00 0.00 H new ATOM 0 HA ILE A 23 -14.343 11.937 2.802 1.00 0.00 H new ATOM 0 HB ILE A 23 -14.631 9.409 2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -12.139 9.958 4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.502 11.016 4.622 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.593 8.049 2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.009 8.909 1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.686 9.506 2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.487 9.136 6.188 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.922 9.062 5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.537 7.987 4.830 1.00 0.00 H new ATOM 391 N GLN A 24 -11.792 11.598 0.781 1.00 0.00 N ATOM 392 CA GLN A 24 -10.457 12.092 0.467 1.00 0.00 C ATOM 393 C GLN A 24 -10.506 13.554 0.035 1.00 0.00 C ATOM 394 O GLN A 24 -10.591 13.857 -1.154 1.00 0.00 O ATOM 395 CB GLN A 24 -9.822 11.243 -0.636 1.00 0.00 C ATOM 396 CG GLN A 24 -8.604 10.459 -0.174 1.00 0.00 C ATOM 397 CD GLN A 24 -8.833 9.747 1.144 1.00 0.00 C ATOM 398 OE1 GLN A 24 -8.270 10.123 2.172 1.00 0.00 O ATOM 399 NE2 GLN A 24 -9.664 8.711 1.121 1.00 0.00 N ATOM 0 H GLN A 24 -12.223 11.047 0.039 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.848 12.018 1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.567 10.547 -1.022 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.534 11.892 -1.463 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.337 9.727 -0.936 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.757 11.137 -0.074 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.109 8.434 0.246 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.857 8.193 1.978 1.00 0.00 H new ATOM 408 N MET A 25 -10.451 14.456 1.010 1.00 0.00 N ATOM 409 CA MET A 25 -10.489 15.887 0.730 1.00 0.00 C ATOM 410 C MET A 25 -9.231 16.575 1.250 1.00 0.00 C ATOM 411 O MET A 25 -9.043 17.775 1.054 1.00 0.00 O ATOM 412 CB MET A 25 -11.729 16.520 1.362 1.00 0.00 C ATOM 413 CG MET A 25 -12.707 17.088 0.346 1.00 0.00 C ATOM 414 SD MET A 25 -12.468 18.853 0.063 1.00 0.00 S ATOM 415 CE MET A 25 -14.023 19.505 0.668 1.00 0.00 C ATOM 0 H MET A 25 -10.380 14.222 2.000 1.00 0.00 H new ATOM 0 HA MET A 25 -10.535 16.019 -0.351 1.00 0.00 H new ATOM 0 HB2 MET A 25 -12.240 15.771 1.967 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.416 17.316 2.037 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.595 16.554 -0.598 1.00 0.00 H new ATOM 0 HG3 MET A 25 -13.726 16.914 0.692 1.00 0.00 H new ATOM 0 HE1 MET A 25 -14.029 20.590 0.560 1.00 0.00 H new ATOM 0 HE2 MET A 25 -14.845 19.078 0.093 1.00 0.00 H new ATOM 0 HE3 MET A 25 -14.142 19.244 1.720 1.00 0.00 H new ATOM 425 N ASN A 26 -8.372 15.807 1.913 1.00 0.00 N ATOM 426 CA ASN A 26 -7.133 16.345 2.462 1.00 0.00 C ATOM 427 C ASN A 26 -7.421 17.394 3.531 1.00 0.00 C ATOM 428 O ASN A 26 -6.571 18.229 3.842 1.00 0.00 O ATOM 429 CB ASN A 26 -6.280 16.956 1.348 1.00 0.00 C ATOM 430 CG ASN A 26 -4.867 16.407 1.334 1.00 0.00 C ATOM 431 OD1 ASN A 26 -4.094 16.627 2.266 1.00 0.00 O ATOM 432 ND2 ASN A 26 -4.523 15.687 0.272 1.00 0.00 N ATOM 0 H ASN A 26 -8.511 14.811 2.083 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.583 15.525 2.923 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.752 16.762 0.385 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.245 18.038 1.473 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.585 15.291 0.206 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.197 15.530 -0.478 1.00 0.00 H new ATOM 439 N SER A 27 -8.625 17.345 4.092 1.00 0.00 N ATOM 440 CA SER A 27 -9.028 18.292 5.124 1.00 0.00 C ATOM 441 C SER A 27 -9.029 17.630 6.499 1.00 0.00 C ATOM 442 O SER A 27 -8.116 17.834 7.298 1.00 0.00 O ATOM 443 CB SER A 27 -10.416 18.856 4.816 1.00 0.00 C ATOM 444 OG SER A 27 -10.823 19.782 5.809 1.00 0.00 O ATOM 0 H SER A 27 -9.339 16.658 3.848 1.00 0.00 H new ATOM 0 HA SER A 27 -8.306 19.109 5.134 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.405 19.344 3.842 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.138 18.041 4.756 1.00 0.00 H new ATOM 0 HG SER A 27 -11.712 20.129 5.588 1.00 0.00 H new ATOM 450 N ASN A 28 -10.061 16.837 6.766 1.00 0.00 N ATOM 451 CA ASN A 28 -10.182 16.144 8.043 1.00 0.00 C ATOM 452 C ASN A 28 -11.072 14.912 7.912 1.00 0.00 C ATOM 453 O ASN A 28 -11.891 14.819 6.997 1.00 0.00 O ATOM 454 CB ASN A 28 -10.751 17.087 9.106 1.00 0.00 C ATOM 455 CG ASN A 28 -9.670 17.888 9.806 1.00 0.00 C ATOM 456 OD1 ASN A 28 -9.065 17.424 10.772 1.00 0.00 O ATOM 457 ND2 ASN A 28 -9.424 19.099 9.320 1.00 0.00 N ATOM 0 H ASN A 28 -10.826 16.658 6.115 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.187 15.820 8.348 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.461 17.770 8.639 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.305 16.507 9.844 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.708 19.685 9.750 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.951 19.443 8.517 1.00 0.00 H new ATOM 464 N PHE A 29 -10.906 13.968 8.832 1.00 0.00 N ATOM 465 CA PHE A 29 -11.694 12.741 8.820 1.00 0.00 C ATOM 466 C PHE A 29 -12.838 12.819 9.826 1.00 0.00 C ATOM 467 O PHE A 29 -13.782 12.029 9.775 1.00 0.00 O ATOM 468 CB PHE A 29 -10.805 11.536 9.133 1.00 0.00 C ATOM 469 CG PHE A 29 -10.321 10.814 7.909 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.216 11.272 7.209 1.00 0.00 C ATOM 471 CD2 PHE A 29 -10.970 9.676 7.457 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.767 10.610 6.082 1.00 0.00 C ATOM 473 CE2 PHE A 29 -10.526 9.009 6.331 1.00 0.00 C ATOM 474 CZ PHE A 29 -9.424 9.478 5.642 1.00 0.00 C ATOM 0 H PHE A 29 -10.233 14.029 9.596 1.00 0.00 H new ATOM 0 HA PHE A 29 -12.119 12.621 7.823 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.944 11.870 9.712 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.360 10.839 9.761 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.699 12.157 7.549 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.833 9.306 7.991 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.904 10.977 5.547 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.040 8.122 5.990 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.077 8.960 4.760 1.00 0.00 H new ATOM 484 N THR A 30 -12.748 13.777 10.743 1.00 0.00 N ATOM 485 CA THR A 30 -13.773 13.958 11.764 1.00 0.00 C ATOM 486 C THR A 30 -14.366 15.361 11.704 1.00 0.00 C ATOM 487 O THR A 30 -15.299 15.684 12.440 1.00 0.00 O ATOM 488 CB THR A 30 -13.210 13.711 13.176 1.00 0.00 C ATOM 489 OG1 THR A 30 -14.172 14.101 14.162 1.00 0.00 O ATOM 490 CG2 THR A 30 -11.917 14.485 13.386 1.00 0.00 C ATOM 0 H THR A 30 -11.975 14.440 10.800 1.00 0.00 H new ATOM 0 HA THR A 30 -14.555 13.226 11.560 1.00 0.00 H new ATOM 0 HB THR A 30 -12.998 12.647 13.278 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.922 14.557 13.725 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.538 14.295 14.390 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.178 14.164 12.652 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.108 15.551 13.266 1.00 0.00 H new ATOM 498 N LYS A 31 -13.821 16.192 10.822 1.00 0.00 N ATOM 499 CA LYS A 31 -14.298 17.560 10.663 1.00 0.00 C ATOM 500 C LYS A 31 -14.896 17.771 9.276 1.00 0.00 C ATOM 501 O LYS A 31 -16.030 18.232 9.142 1.00 0.00 O ATOM 502 CB LYS A 31 -13.154 18.550 10.893 1.00 0.00 C ATOM 503 CG LYS A 31 -12.188 18.122 11.984 1.00 0.00 C ATOM 504 CD LYS A 31 -11.542 19.320 12.658 1.00 0.00 C ATOM 505 CE LYS A 31 -11.077 18.984 14.067 1.00 0.00 C ATOM 506 NZ LYS A 31 -10.080 19.968 14.572 1.00 0.00 N ATOM 0 H LYS A 31 -13.048 15.941 10.206 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.077 17.735 11.405 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.603 18.678 9.961 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.573 19.522 11.152 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.718 17.527 12.728 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.415 17.483 11.557 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.693 19.658 12.065 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.253 20.145 12.696 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.936 18.961 14.737 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.639 17.986 14.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.788 19.704 15.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.249 19.972 13.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.506 20.917 14.587 1.00 0.00 H new ATOM 520 N ASP A 32 -14.128 17.429 8.247 1.00 0.00 N ATOM 521 CA ASP A 32 -14.584 17.579 6.870 1.00 0.00 C ATOM 522 C ASP A 32 -15.991 17.016 6.699 1.00 0.00 C ATOM 523 O ASP A 32 -16.901 17.716 6.254 1.00 0.00 O ATOM 524 CB ASP A 32 -13.620 16.876 5.913 1.00 0.00 C ATOM 525 CG ASP A 32 -13.891 17.221 4.462 1.00 0.00 C ATOM 526 OD1 ASP A 32 -13.350 18.240 3.983 1.00 0.00 O ATOM 527 OD2 ASP A 32 -14.643 16.472 3.805 1.00 0.00 O ATOM 0 H ASP A 32 -13.187 17.046 8.340 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.607 18.643 6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.596 17.153 6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.700 15.797 6.048 1.00 0.00 H new ATOM 532 N LEU A 33 -16.162 15.747 7.055 1.00 0.00 N ATOM 533 CA LEU A 33 -17.459 15.089 6.940 1.00 0.00 C ATOM 534 C LEU A 33 -18.082 14.871 8.315 1.00 0.00 C ATOM 535 O LEU A 33 -19.298 14.731 8.442 1.00 0.00 O ATOM 536 CB LEU A 33 -17.311 13.750 6.216 1.00 0.00 C ATOM 537 CG LEU A 33 -15.978 13.026 6.409 1.00 0.00 C ATOM 538 CD1 LEU A 33 -15.856 12.501 7.831 1.00 0.00 C ATOM 539 CD2 LEU A 33 -15.836 11.892 5.405 1.00 0.00 C ATOM 0 H LEU A 33 -15.419 15.154 7.425 1.00 0.00 H new ATOM 0 HA LEU A 33 -18.118 15.737 6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -18.112 13.090 6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -17.459 13.918 5.149 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.172 13.739 6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.901 11.989 7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -15.910 13.334 8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.669 11.804 8.032 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.881 11.388 5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -16.649 11.179 5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -15.876 12.295 4.393 1.00 0.00 H new ATOM 551 N GLY A 34 -17.240 14.845 9.344 1.00 0.00 N ATOM 552 CA GLY A 34 -17.727 14.646 10.696 1.00 0.00 C ATOM 553 C GLY A 34 -18.716 13.501 10.794 1.00 0.00 C ATOM 554 O GLY A 34 -19.838 13.680 11.268 1.00 0.00 O ATOM 0 H GLY A 34 -16.229 14.958 9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.883 14.451 11.358 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.201 15.563 11.047 1.00 0.00 H new ATOM 558 N ALA A 35 -18.301 12.322 10.341 1.00 0.00 N ATOM 559 CA ALA A 35 -19.159 11.144 10.380 1.00 0.00 C ATOM 560 C ALA A 35 -19.676 10.888 11.791 1.00 0.00 C ATOM 561 O ALA A 35 -20.813 11.230 12.118 1.00 0.00 O ATOM 562 CB ALA A 35 -18.407 9.927 9.861 1.00 0.00 C ATOM 0 H ALA A 35 -17.376 12.158 9.943 1.00 0.00 H new ATOM 0 HA ALA A 35 -20.018 11.328 9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -19.059 9.054 9.896 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -18.093 10.105 8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.530 9.749 10.483 1.00 0.00 H new ATOM 568 N ASP A 36 -18.835 10.283 12.623 1.00 0.00 N ATOM 569 CA ASP A 36 -19.207 9.981 14.001 1.00 0.00 C ATOM 570 C ASP A 36 -18.077 9.253 14.722 1.00 0.00 C ATOM 571 O ASP A 36 -17.497 8.284 14.235 1.00 0.00 O ATOM 572 CB ASP A 36 -20.479 9.133 14.033 1.00 0.00 C ATOM 573 CG ASP A 36 -20.419 7.961 13.072 1.00 0.00 C ATOM 574 OD1 ASP A 36 -20.453 8.198 11.847 1.00 0.00 O ATOM 575 OD2 ASP A 36 -20.338 6.808 13.546 1.00 0.00 O ATOM 0 H ASP A 36 -17.891 9.992 12.368 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.394 10.923 14.516 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.639 8.761 15.045 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.336 9.759 13.784 1.00 0.00 H new ATOM 580 N SER A 37 -17.740 9.731 15.932 1.00 0.00 N ATOM 581 CA SER A 37 -16.676 9.202 16.815 1.00 0.00 C ATOM 582 C SER A 37 -16.607 7.666 16.808 1.00 0.00 C ATOM 583 O SER A 37 -15.535 7.066 16.727 1.00 0.00 O ATOM 584 CB SER A 37 -16.946 9.754 18.224 1.00 0.00 C ATOM 585 OG SER A 37 -18.160 9.226 18.760 1.00 0.00 O ATOM 0 H SER A 37 -18.220 10.532 16.343 1.00 0.00 H new ATOM 0 HA SER A 37 -15.701 9.526 16.453 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.114 9.502 18.882 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.004 10.842 18.187 1.00 0.00 H new ATOM 0 HG SER A 37 -18.308 9.591 19.657 1.00 0.00 H new ATOM 590 N LEU A 38 -17.778 7.045 16.896 1.00 0.00 N ATOM 591 CA LEU A 38 -17.873 5.589 16.903 1.00 0.00 C ATOM 592 C LEU A 38 -17.237 4.995 15.650 1.00 0.00 C ATOM 593 O LEU A 38 -16.404 4.093 15.733 1.00 0.00 O ATOM 594 CB LEU A 38 -19.337 5.154 17.001 1.00 0.00 C ATOM 595 CG LEU A 38 -20.201 5.926 17.999 1.00 0.00 C ATOM 596 CD1 LEU A 38 -21.007 7.001 17.287 1.00 0.00 C ATOM 597 CD2 LEU A 38 -21.122 4.977 18.752 1.00 0.00 C ATOM 0 H LEU A 38 -18.675 7.526 16.963 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.331 5.219 17.773 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.789 5.245 16.013 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.364 4.098 17.268 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.544 6.412 18.720 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -21.616 7.540 18.013 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.329 7.697 16.794 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.655 6.537 16.543 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -21.730 5.543 19.458 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.772 4.463 18.044 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -20.525 4.244 19.294 1.00 0.00 H new ATOM 609 N ASP A 39 -17.634 5.510 14.491 1.00 0.00 N ATOM 610 CA ASP A 39 -17.101 5.033 13.221 1.00 0.00 C ATOM 611 C ASP A 39 -15.641 5.444 13.056 1.00 0.00 C ATOM 612 O ASP A 39 -14.773 4.605 12.812 1.00 0.00 O ATOM 613 CB ASP A 39 -17.931 5.579 12.058 1.00 0.00 C ATOM 614 CG ASP A 39 -19.140 4.715 11.754 1.00 0.00 C ATOM 615 OD1 ASP A 39 -19.011 3.475 11.810 1.00 0.00 O ATOM 616 OD2 ASP A 39 -20.214 5.280 11.459 1.00 0.00 O ATOM 0 H ASP A 39 -18.323 6.257 14.405 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.157 3.944 13.218 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.261 6.591 12.294 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.304 5.648 11.169 1.00 0.00 H new ATOM 621 N LEU A 40 -15.377 6.739 13.189 1.00 0.00 N ATOM 622 CA LEU A 40 -14.022 7.262 13.054 1.00 0.00 C ATOM 623 C LEU A 40 -13.045 6.471 13.917 1.00 0.00 C ATOM 624 O LEU A 40 -12.038 5.960 13.426 1.00 0.00 O ATOM 625 CB LEU A 40 -13.984 8.741 13.444 1.00 0.00 C ATOM 626 CG LEU A 40 -12.652 9.458 13.223 1.00 0.00 C ATOM 627 CD1 LEU A 40 -12.710 10.319 11.970 1.00 0.00 C ATOM 628 CD2 LEU A 40 -12.294 10.304 14.437 1.00 0.00 C ATOM 0 H LEU A 40 -16.084 7.446 13.390 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.721 7.160 12.011 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.754 9.265 12.879 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -14.249 8.825 14.498 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.875 8.706 13.087 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.753 10.821 11.829 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.920 9.689 11.105 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.499 11.064 12.077 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.343 10.807 14.262 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.073 11.048 14.604 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.210 9.663 15.315 1.00 0.00 H new ATOM 640 N VAL A 41 -13.349 6.372 15.208 1.00 0.00 N ATOM 641 CA VAL A 41 -12.499 5.640 16.140 1.00 0.00 C ATOM 642 C VAL A 41 -12.454 4.157 15.793 1.00 0.00 C ATOM 643 O VAL A 41 -11.461 3.478 16.055 1.00 0.00 O ATOM 644 CB VAL A 41 -12.989 5.802 17.591 1.00 0.00 C ATOM 645 CG1 VAL A 41 -12.152 4.952 18.535 1.00 0.00 C ATOM 646 CG2 VAL A 41 -12.953 7.266 18.005 1.00 0.00 C ATOM 0 H VAL A 41 -14.177 6.790 15.632 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.497 6.061 16.053 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.021 5.457 17.648 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.513 5.079 19.556 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.234 3.903 18.249 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.109 5.264 18.477 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.302 7.362 19.033 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -11.932 7.640 17.933 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.599 7.846 17.346 1.00 0.00 H new ATOM 656 N GLU A 42 -13.535 3.659 15.200 1.00 0.00 N ATOM 657 CA GLU A 42 -13.618 2.255 14.817 1.00 0.00 C ATOM 658 C GLU A 42 -12.624 1.935 13.704 1.00 0.00 C ATOM 659 O GLU A 42 -11.627 1.246 13.925 1.00 0.00 O ATOM 660 CB GLU A 42 -15.037 1.910 14.363 1.00 0.00 C ATOM 661 CG GLU A 42 -15.882 1.261 15.447 1.00 0.00 C ATOM 662 CD GLU A 42 -15.497 -0.184 15.700 1.00 0.00 C ATOM 663 OE1 GLU A 42 -15.119 -0.876 14.733 1.00 0.00 O ATOM 664 OE2 GLU A 42 -15.574 -0.621 16.868 1.00 0.00 O ATOM 0 H GLU A 42 -14.365 4.207 14.975 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.367 1.652 15.689 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.532 2.820 14.024 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.982 1.239 13.506 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.778 1.828 16.372 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.933 1.308 15.161 1.00 0.00 H new ATOM 671 N LEU A 43 -12.904 2.439 12.507 1.00 0.00 N ATOM 672 CA LEU A 43 -12.036 2.207 11.358 1.00 0.00 C ATOM 673 C LEU A 43 -10.574 2.445 11.723 1.00 0.00 C ATOM 674 O LEU A 43 -9.682 1.745 11.242 1.00 0.00 O ATOM 675 CB LEU A 43 -12.439 3.119 10.198 1.00 0.00 C ATOM 676 CG LEU A 43 -12.296 4.621 10.444 1.00 0.00 C ATOM 677 CD1 LEU A 43 -11.084 5.171 9.708 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.560 5.354 10.016 1.00 0.00 C ATOM 0 H LEU A 43 -13.725 3.011 12.307 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.150 1.167 11.051 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.837 2.855 9.328 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.478 2.910 9.942 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.150 4.782 11.512 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.999 6.241 9.896 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.184 4.668 10.062 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.199 4.998 8.638 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.441 6.422 10.198 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.737 5.185 8.954 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.409 4.981 10.589 1.00 0.00 H new ATOM 690 N ILE A 44 -10.336 3.436 12.576 1.00 0.00 N ATOM 691 CA ILE A 44 -8.983 3.763 13.007 1.00 0.00 C ATOM 692 C ILE A 44 -8.394 2.648 13.864 1.00 0.00 C ATOM 693 O ILE A 44 -7.266 2.209 13.641 1.00 0.00 O ATOM 694 CB ILE A 44 -8.950 5.080 13.805 1.00 0.00 C ATOM 695 CG1 ILE A 44 -9.232 6.268 12.883 1.00 0.00 C ATOM 696 CG2 ILE A 44 -7.604 5.247 14.495 1.00 0.00 C ATOM 697 CD1 ILE A 44 -9.595 7.536 13.624 1.00 0.00 C ATOM 0 H ILE A 44 -11.062 4.026 12.982 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.384 3.879 12.104 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.727 5.044 14.569 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.353 6.456 12.267 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.045 6.007 12.206 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.596 6.182 15.055 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.439 4.414 15.178 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.811 5.265 13.747 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.781 8.336 12.907 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.492 7.366 14.219 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.773 7.822 14.281 1.00 0.00 H new ATOM 709 N MET A 45 -9.167 2.192 14.845 1.00 0.00 N ATOM 710 CA MET A 45 -8.722 1.125 15.734 1.00 0.00 C ATOM 711 C MET A 45 -8.230 -0.079 14.935 1.00 0.00 C ATOM 712 O MET A 45 -7.326 -0.794 15.367 1.00 0.00 O ATOM 713 CB MET A 45 -9.859 0.702 16.666 1.00 0.00 C ATOM 714 CG MET A 45 -10.584 -0.554 16.210 1.00 0.00 C ATOM 715 SD MET A 45 -12.119 -0.836 17.113 1.00 0.00 S ATOM 716 CE MET A 45 -11.539 -0.743 18.805 1.00 0.00 C ATOM 0 H MET A 45 -10.103 2.544 15.044 1.00 0.00 H new ATOM 0 HA MET A 45 -7.894 1.506 16.332 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.456 0.536 17.665 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.577 1.518 16.743 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.803 -0.476 15.145 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.928 -1.415 16.339 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.296 -1.154 19.472 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.617 -1.316 18.906 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.350 0.298 19.068 1.00 0.00 H new ATOM 726 N ALA A 46 -8.831 -0.296 13.770 1.00 0.00 N ATOM 727 CA ALA A 46 -8.453 -1.411 12.911 1.00 0.00 C ATOM 728 C ALA A 46 -7.137 -1.129 12.193 1.00 0.00 C ATOM 729 O ALA A 46 -6.263 -1.993 12.116 1.00 0.00 O ATOM 730 CB ALA A 46 -9.555 -1.699 11.904 1.00 0.00 C ATOM 0 H ALA A 46 -9.582 0.286 13.399 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.313 -2.290 13.540 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.259 -2.534 11.269 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.474 -1.953 12.433 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.724 -0.816 11.287 1.00 0.00 H new ATOM 736 N LEU A 47 -7.004 0.084 11.668 1.00 0.00 N ATOM 737 CA LEU A 47 -5.794 0.480 10.955 1.00 0.00 C ATOM 738 C LEU A 47 -4.551 0.191 11.789 1.00 0.00 C ATOM 739 O LEU A 47 -3.577 -0.374 11.293 1.00 0.00 O ATOM 740 CB LEU A 47 -5.851 1.967 10.601 1.00 0.00 C ATOM 741 CG LEU A 47 -5.371 2.342 9.199 1.00 0.00 C ATOM 742 CD1 LEU A 47 -5.562 3.830 8.949 1.00 0.00 C ATOM 743 CD2 LEU A 47 -3.912 1.952 9.012 1.00 0.00 C ATOM 0 H LEU A 47 -7.718 0.810 11.722 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.736 -0.104 10.036 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.880 2.308 10.714 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.252 2.516 11.327 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.970 1.792 8.473 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.215 4.078 7.946 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.619 4.081 9.040 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.990 4.399 9.682 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.588 2.227 8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.299 2.474 9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.803 0.876 9.147 1.00 0.00 H new ATOM 755 N GLU A 48 -4.593 0.581 13.060 1.00 0.00 N ATOM 756 CA GLU A 48 -3.469 0.363 13.963 1.00 0.00 C ATOM 757 C GLU A 48 -3.434 -1.084 14.447 1.00 0.00 C ATOM 758 O GLU A 48 -2.367 -1.633 14.718 1.00 0.00 O ATOM 759 CB GLU A 48 -3.556 1.311 15.160 1.00 0.00 C ATOM 760 CG GLU A 48 -4.781 1.083 16.030 1.00 0.00 C ATOM 761 CD GLU A 48 -5.214 2.334 16.768 1.00 0.00 C ATOM 762 OE1 GLU A 48 -5.098 3.434 16.188 1.00 0.00 O ATOM 763 OE2 GLU A 48 -5.669 2.214 17.925 1.00 0.00 O ATOM 0 H GLU A 48 -5.393 1.049 13.487 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.550 0.567 13.414 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.661 1.195 15.771 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.564 2.339 14.798 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.603 0.730 15.408 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.567 0.295 16.752 1.00 0.00 H new ATOM 770 N GLU A 49 -4.610 -1.694 14.555 1.00 0.00 N ATOM 771 CA GLU A 49 -4.714 -3.076 15.009 1.00 0.00 C ATOM 772 C GLU A 49 -4.109 -4.032 13.984 1.00 0.00 C ATOM 773 O GLU A 49 -3.734 -5.157 14.313 1.00 0.00 O ATOM 774 CB GLU A 49 -6.177 -3.444 15.264 1.00 0.00 C ATOM 775 CG GLU A 49 -6.391 -4.918 15.564 1.00 0.00 C ATOM 776 CD GLU A 49 -7.845 -5.254 15.832 1.00 0.00 C ATOM 777 OE1 GLU A 49 -8.667 -5.115 14.902 1.00 0.00 O ATOM 778 OE2 GLU A 49 -8.161 -5.657 16.971 1.00 0.00 O ATOM 0 H GLU A 49 -5.503 -1.254 14.335 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.156 -3.168 15.941 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.551 -2.854 16.101 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.769 -3.170 14.391 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.034 -5.512 14.722 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.791 -5.199 16.430 1.00 0.00 H new ATOM 785 N LYS A 50 -4.019 -3.576 12.739 1.00 0.00 N ATOM 786 CA LYS A 50 -3.460 -4.388 11.665 1.00 0.00 C ATOM 787 C LYS A 50 -2.004 -4.015 11.402 1.00 0.00 C ATOM 788 O LYS A 50 -1.205 -4.851 10.981 1.00 0.00 O ATOM 789 CB LYS A 50 -4.281 -4.213 10.386 1.00 0.00 C ATOM 790 CG LYS A 50 -4.185 -2.820 9.787 1.00 0.00 C ATOM 791 CD LYS A 50 -4.766 -2.776 8.384 1.00 0.00 C ATOM 792 CE LYS A 50 -3.775 -3.293 7.353 1.00 0.00 C ATOM 793 NZ LYS A 50 -3.897 -4.764 7.155 1.00 0.00 N ATOM 0 H LYS A 50 -4.326 -2.648 12.449 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.499 -5.432 11.975 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.946 -4.941 9.647 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.326 -4.435 10.602 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.715 -2.112 10.424 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.142 -2.506 9.760 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.676 -3.375 8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.048 -1.752 8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.940 -2.784 6.403 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.761 -3.052 7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.140 -5.249 7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.822 -5.086 7.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.814 -4.986 6.142 1.00 0.00 H new ATOM 807 N PHE A 51 -1.666 -2.755 11.655 1.00 0.00 N ATOM 808 CA PHE A 51 -0.306 -2.271 11.446 1.00 0.00 C ATOM 809 C PHE A 51 0.580 -2.607 12.642 1.00 0.00 C ATOM 810 O PHE A 51 1.800 -2.702 12.517 1.00 0.00 O ATOM 811 CB PHE A 51 -0.310 -0.760 11.209 1.00 0.00 C ATOM 812 CG PHE A 51 0.053 -0.373 9.804 1.00 0.00 C ATOM 813 CD1 PHE A 51 1.171 -0.914 9.189 1.00 0.00 C ATOM 814 CD2 PHE A 51 -0.722 0.532 9.098 1.00 0.00 C ATOM 815 CE1 PHE A 51 1.509 -0.560 7.897 1.00 0.00 C ATOM 816 CE2 PHE A 51 -0.390 0.889 7.804 1.00 0.00 C ATOM 817 CZ PHE A 51 0.727 0.343 7.204 1.00 0.00 C ATOM 0 H PHE A 51 -2.315 -2.050 12.005 1.00 0.00 H new ATOM 0 HA PHE A 51 0.099 -2.769 10.565 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.299 -0.366 11.442 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.390 -0.290 11.899 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.786 -1.621 9.726 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.596 0.964 9.563 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.383 -0.989 7.430 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.004 1.594 7.263 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.989 0.622 6.194 1.00 0.00 H new ATOM 827 N ASN A 52 -0.044 -2.785 13.802 1.00 0.00 N ATOM 828 CA ASN A 52 0.687 -3.109 15.022 1.00 0.00 C ATOM 829 C ASN A 52 1.582 -1.948 15.444 1.00 0.00 C ATOM 830 O ASN A 52 2.804 -2.087 15.516 1.00 0.00 O ATOM 831 CB ASN A 52 1.529 -4.370 14.817 1.00 0.00 C ATOM 832 CG ASN A 52 1.977 -4.986 16.128 1.00 0.00 C ATOM 833 OD1 ASN A 52 1.871 -4.365 17.186 1.00 0.00 O ATOM 834 ND2 ASN A 52 2.481 -6.212 16.064 1.00 0.00 N ATOM 0 H ASN A 52 -1.054 -2.710 13.923 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.039 -3.291 15.814 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.950 -5.102 14.254 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.405 -4.125 14.216 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.800 -6.677 16.914 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.550 -6.689 15.165 1.00 0.00 H new ATOM 841 N VAL A 53 0.967 -0.803 15.721 1.00 0.00 N ATOM 842 CA VAL A 53 1.707 0.381 16.138 1.00 0.00 C ATOM 843 C VAL A 53 1.395 0.744 17.585 1.00 0.00 C ATOM 844 O VAL A 53 0.787 -0.039 18.316 1.00 0.00 O ATOM 845 CB VAL A 53 1.387 1.589 15.237 1.00 0.00 C ATOM 846 CG1 VAL A 53 2.658 2.350 14.892 1.00 0.00 C ATOM 847 CG2 VAL A 53 0.668 1.136 13.975 1.00 0.00 C ATOM 0 H VAL A 53 -0.043 -0.671 15.664 1.00 0.00 H new ATOM 0 HA VAL A 53 2.766 0.140 16.048 1.00 0.00 H new ATOM 0 HB VAL A 53 0.726 2.262 15.783 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.412 3.200 14.255 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.128 2.707 15.808 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.346 1.689 14.365 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.450 2.002 13.350 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.302 0.442 13.424 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.264 0.639 14.246 1.00 0.00 H new ATOM 857 N THR A 54 1.814 1.938 17.994 1.00 0.00 N ATOM 858 CA THR A 54 1.580 2.405 19.355 1.00 0.00 C ATOM 859 C THR A 54 0.637 3.602 19.370 1.00 0.00 C ATOM 860 O THR A 54 0.707 4.448 20.263 1.00 0.00 O ATOM 861 CB THR A 54 2.899 2.795 20.049 1.00 0.00 C ATOM 862 OG1 THR A 54 2.676 2.990 21.450 1.00 0.00 O ATOM 863 CG2 THR A 54 3.475 4.065 19.441 1.00 0.00 C ATOM 0 H THR A 54 2.317 2.599 17.402 1.00 0.00 H new ATOM 0 HA THR A 54 1.122 1.579 19.899 1.00 0.00 H new ATOM 0 HB THR A 54 3.614 1.985 19.904 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.912 3.590 21.579 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.406 4.321 19.947 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.670 3.905 18.381 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.762 4.881 19.559 1.00 0.00 H new ATOM 871 N ILE A 55 -0.245 3.667 18.379 1.00 0.00 N ATOM 872 CA ILE A 55 -1.203 4.761 18.280 1.00 0.00 C ATOM 873 C ILE A 55 -2.266 4.661 19.370 1.00 0.00 C ATOM 874 O ILE A 55 -2.479 3.594 19.946 1.00 0.00 O ATOM 875 CB ILE A 55 -1.896 4.781 16.905 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.868 4.575 15.790 1.00 0.00 C ATOM 877 CG2 ILE A 55 -2.644 6.091 16.707 1.00 0.00 C ATOM 878 CD1 ILE A 55 -1.261 3.504 14.796 1.00 0.00 C ATOM 0 H ILE A 55 -0.316 2.975 17.633 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.640 5.685 18.407 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.617 3.965 16.866 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.725 5.517 15.260 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.091 4.312 16.235 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.128 6.089 15.731 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.398 6.201 17.486 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.942 6.923 16.762 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.486 3.412 14.035 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.375 2.552 15.314 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.205 3.775 14.323 1.00 0.00 H new ATOM 890 N SER A 56 -2.930 5.778 19.646 1.00 0.00 N ATOM 891 CA SER A 56 -3.969 5.817 20.668 1.00 0.00 C ATOM 892 C SER A 56 -5.028 6.861 20.326 1.00 0.00 C ATOM 893 O SER A 56 -6.097 6.532 19.812 1.00 0.00 O ATOM 894 CB SER A 56 -3.358 6.123 22.036 1.00 0.00 C ATOM 895 OG SER A 56 -3.013 4.930 22.719 1.00 0.00 O ATOM 0 H SER A 56 -2.767 6.669 19.176 1.00 0.00 H new ATOM 0 HA SER A 56 -4.447 4.838 20.703 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.471 6.744 21.911 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.066 6.696 22.634 1.00 0.00 H new ATOM 0 HG SER A 56 -2.771 4.239 22.068 1.00 0.00 H new ATOM 901 N ASP A 57 -4.723 8.121 20.617 1.00 0.00 N ATOM 902 CA ASP A 57 -5.646 9.215 20.340 1.00 0.00 C ATOM 903 C ASP A 57 -5.099 10.125 19.245 1.00 0.00 C ATOM 904 O ASP A 57 -5.852 10.846 18.591 1.00 0.00 O ATOM 905 CB ASP A 57 -5.905 10.026 21.611 1.00 0.00 C ATOM 906 CG ASP A 57 -7.382 10.144 21.932 1.00 0.00 C ATOM 907 OD1 ASP A 57 -8.173 10.393 20.999 1.00 0.00 O ATOM 908 OD2 ASP A 57 -7.747 9.988 23.116 1.00 0.00 O ATOM 0 H ASP A 57 -3.843 8.410 21.045 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.586 8.785 19.994 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.390 9.556 22.449 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.481 11.023 21.495 1.00 0.00 H new ATOM 913 N GLN A 58 -3.785 10.084 19.051 1.00 0.00 N ATOM 914 CA GLN A 58 -3.137 10.906 18.035 1.00 0.00 C ATOM 915 C GLN A 58 -3.713 10.617 16.653 1.00 0.00 C ATOM 916 O GLN A 58 -3.697 11.476 15.771 1.00 0.00 O ATOM 917 CB GLN A 58 -1.628 10.659 18.035 1.00 0.00 C ATOM 918 CG GLN A 58 -1.005 10.693 19.421 1.00 0.00 C ATOM 919 CD GLN A 58 -1.407 11.923 20.211 1.00 0.00 C ATOM 920 OE1 GLN A 58 -1.487 13.026 19.668 1.00 0.00 O ATOM 921 NE2 GLN A 58 -1.664 11.741 21.501 1.00 0.00 N ATOM 0 H GLN A 58 -3.148 9.491 19.583 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.326 11.952 18.275 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.427 9.689 17.579 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.145 11.411 17.410 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.302 9.800 19.971 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.081 10.664 19.328 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.585 10.810 21.910 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.940 12.532 22.083 1.00 0.00 H new ATOM 930 N ASP A 59 -4.219 9.403 16.470 1.00 0.00 N ATOM 931 CA ASP A 59 -4.800 9.000 15.195 1.00 0.00 C ATOM 932 C ASP A 59 -5.937 9.936 14.796 1.00 0.00 C ATOM 933 O ASP A 59 -6.287 10.037 13.621 1.00 0.00 O ATOM 934 CB ASP A 59 -5.311 7.561 15.275 1.00 0.00 C ATOM 935 CG ASP A 59 -5.996 7.262 16.594 1.00 0.00 C ATOM 936 OD1 ASP A 59 -6.570 8.198 17.189 1.00 0.00 O ATOM 937 OD2 ASP A 59 -5.958 6.093 17.031 1.00 0.00 O ATOM 0 H ASP A 59 -4.239 8.680 17.189 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.022 9.059 14.434 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.009 7.380 14.457 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.476 6.874 15.139 1.00 0.00 H new ATOM 942 N ALA A 60 -6.510 10.616 15.783 1.00 0.00 N ATOM 943 CA ALA A 60 -7.607 11.543 15.535 1.00 0.00 C ATOM 944 C ALA A 60 -7.089 12.881 15.017 1.00 0.00 C ATOM 945 O ALA A 60 -7.868 13.790 14.726 1.00 0.00 O ATOM 946 CB ALA A 60 -8.423 11.747 16.803 1.00 0.00 C ATOM 0 H ALA A 60 -6.233 10.542 16.762 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.249 11.110 14.768 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.239 12.442 16.603 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.832 10.791 17.130 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.783 12.155 17.586 1.00 0.00 H new ATOM 952 N LEU A 61 -5.770 12.995 14.904 1.00 0.00 N ATOM 953 CA LEU A 61 -5.147 14.222 14.421 1.00 0.00 C ATOM 954 C LEU A 61 -3.901 13.913 13.598 1.00 0.00 C ATOM 955 O LEU A 61 -3.081 14.794 13.337 1.00 0.00 O ATOM 956 CB LEU A 61 -4.782 15.130 15.598 1.00 0.00 C ATOM 957 CG LEU A 61 -4.034 14.463 16.753 1.00 0.00 C ATOM 958 CD1 LEU A 61 -3.137 15.468 17.459 1.00 0.00 C ATOM 959 CD2 LEU A 61 -5.015 13.839 17.735 1.00 0.00 C ATOM 0 H LEU A 61 -5.112 12.253 15.140 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.864 14.736 13.781 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.171 15.951 15.222 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.699 15.569 15.991 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.407 13.671 16.345 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.613 14.975 18.278 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.411 15.867 16.751 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.744 16.282 17.854 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.465 13.369 18.550 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.669 14.613 18.137 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.615 13.088 17.222 1.00 0.00 H new ATOM 971 N LYS A 62 -3.765 12.656 13.189 1.00 0.00 N ATOM 972 CA LYS A 62 -2.622 12.230 12.391 1.00 0.00 C ATOM 973 C LYS A 62 -3.071 11.709 11.030 1.00 0.00 C ATOM 974 O LYS A 62 -2.332 11.790 10.049 1.00 0.00 O ATOM 975 CB LYS A 62 -1.835 11.145 13.130 1.00 0.00 C ATOM 976 CG LYS A 62 -0.338 11.398 13.167 1.00 0.00 C ATOM 977 CD LYS A 62 0.400 10.275 13.875 1.00 0.00 C ATOM 978 CE LYS A 62 0.001 10.182 15.340 1.00 0.00 C ATOM 979 NZ LYS A 62 1.157 10.424 16.247 1.00 0.00 N ATOM 0 H LYS A 62 -4.433 11.914 13.397 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.978 13.095 12.234 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.208 11.070 14.152 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.021 10.183 12.651 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.040 11.498 12.150 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.140 12.342 13.675 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.187 9.328 13.378 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.475 10.440 13.799 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.783 10.909 15.549 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.417 9.196 15.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.899 10.155 17.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.969 9.854 15.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.412 11.432 16.223 1.00 0.00 H new ATOM 993 N ILE A 63 -4.287 11.176 10.978 1.00 0.00 N ATOM 994 CA ILE A 63 -4.836 10.645 9.736 1.00 0.00 C ATOM 995 C ILE A 63 -5.851 11.606 9.128 1.00 0.00 C ATOM 996 O ILE A 63 -6.130 11.554 7.931 1.00 0.00 O ATOM 997 CB ILE A 63 -5.508 9.277 9.957 1.00 0.00 C ATOM 998 CG1 ILE A 63 -4.472 8.239 10.392 1.00 0.00 C ATOM 999 CG2 ILE A 63 -6.219 8.825 8.690 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -4.142 8.296 11.868 1.00 0.00 C ATOM 0 H ILE A 63 -4.911 11.100 11.781 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.999 10.522 9.048 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.249 9.377 10.750 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.843 7.243 10.149 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.558 8.387 9.818 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.689 7.857 8.862 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.982 9.556 8.420 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.496 8.738 7.878 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.401 7.532 12.105 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.741 9.279 12.113 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.046 8.117 12.450 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.400 12.484 9.961 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.384 13.459 9.506 1.00 0.00 C ATOM 1014 C ASN A 64 -6.941 14.109 8.199 1.00 0.00 C ATOM 1015 O ASN A 64 -7.760 14.397 7.325 1.00 0.00 O ATOM 1016 CB ASN A 64 -7.602 14.532 10.574 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.428 15.485 10.684 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -5.235 14.934 10.879 1.00 0.00 O flip ATOM 1019 ND2 ASN A 64 -6.591 16.702 10.595 1.00 0.00 N flip ATOM 0 H ASN A 64 -6.180 12.540 10.955 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.324 12.935 9.331 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.504 15.097 10.339 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.769 14.052 11.538 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.526 17.082 10.445 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.791 17.331 10.671 1.00 0.00 H new ATOM 1026 N THR A 65 -5.638 14.337 8.070 1.00 0.00 N ATOM 1027 CA THR A 65 -5.084 14.954 6.870 1.00 0.00 C ATOM 1028 C THR A 65 -4.314 13.937 6.036 1.00 0.00 C ATOM 1029 O THR A 65 -3.397 13.281 6.529 1.00 0.00 O ATOM 1030 CB THR A 65 -4.150 16.127 7.221 1.00 0.00 C ATOM 1031 OG1 THR A 65 -2.819 15.645 7.438 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.640 16.855 8.464 1.00 0.00 C ATOM 0 H THR A 65 -4.946 14.104 8.782 1.00 0.00 H new ATOM 0 HA THR A 65 -5.926 15.332 6.291 1.00 0.00 H new ATOM 0 HB THR A 65 -4.151 16.827 6.385 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.202 16.404 7.501 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.965 17.679 8.693 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.642 17.245 8.286 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.665 16.162 9.305 1.00 0.00 H new ATOM 1040 N VAL A 66 -4.691 13.812 4.767 1.00 0.00 N ATOM 1041 CA VAL A 66 -4.034 12.877 3.862 1.00 0.00 C ATOM 1042 C VAL A 66 -2.517 12.992 3.961 1.00 0.00 C ATOM 1043 O VAL A 66 -1.800 12.000 3.825 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.462 13.113 2.402 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -3.703 12.185 1.466 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -5.964 12.925 2.251 1.00 0.00 C ATOM 0 H VAL A 66 -5.449 14.347 4.343 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.341 11.876 4.164 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.218 14.140 2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.019 12.366 0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.633 12.374 1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.912 11.149 1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.249 13.096 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.234 11.909 2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.486 13.635 2.892 1.00 0.00 H new ATOM 1056 N GLN A 67 -2.035 14.207 4.198 1.00 0.00 N ATOM 1057 CA GLN A 67 -0.602 14.451 4.314 1.00 0.00 C ATOM 1058 C GLN A 67 -0.045 13.825 5.589 1.00 0.00 C ATOM 1059 O GLN A 67 0.934 13.080 5.549 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.316 15.954 4.303 1.00 0.00 C ATOM 1061 CG GLN A 67 1.137 16.299 4.583 1.00 0.00 C ATOM 1062 CD GLN A 67 2.077 15.782 3.511 1.00 0.00 C ATOM 1063 OE1 GLN A 67 2.319 16.451 2.506 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.612 14.585 3.721 1.00 0.00 N ATOM 0 H GLN A 67 -2.615 15.038 4.313 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.110 13.989 3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.597 16.362 3.332 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.946 16.441 5.047 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.241 17.381 4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.426 15.881 5.547 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.383 14.066 4.569 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.252 14.185 3.035 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.674 14.134 6.717 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.242 13.602 8.004 1.00 0.00 C ATOM 1075 C ASP A 68 -0.421 12.088 8.053 1.00 0.00 C ATOM 1076 O ASP A 68 0.350 11.382 8.702 1.00 0.00 O ATOM 1077 CB ASP A 68 -1.026 14.258 9.141 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.374 14.043 10.493 1.00 0.00 C ATOM 1079 OD1 ASP A 68 0.455 13.117 10.612 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -0.693 14.802 11.432 1.00 0.00 O ATOM 0 H ASP A 68 -1.485 14.750 6.766 1.00 0.00 H new ATOM 0 HA ASP A 68 0.817 13.829 8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.113 15.327 8.949 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.038 13.854 9.161 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.445 11.595 7.364 1.00 0.00 N ATOM 1086 CA ALA A 69 -1.725 10.165 7.328 1.00 0.00 C ATOM 1087 C ALA A 69 -0.555 9.391 6.731 1.00 0.00 C ATOM 1088 O ALA A 69 0.027 8.526 7.385 1.00 0.00 O ATOM 1089 CB ALA A 69 -2.997 9.896 6.538 1.00 0.00 C ATOM 0 H ALA A 69 -2.095 12.165 6.823 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.868 9.822 8.353 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.194 8.824 6.519 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.834 10.411 7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.876 10.260 5.518 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.216 9.708 5.486 1.00 0.00 N ATOM 1096 CA ILE A 70 0.885 9.042 4.801 1.00 0.00 C ATOM 1097 C ILE A 70 2.184 9.180 5.587 1.00 0.00 C ATOM 1098 O ILE A 70 3.029 8.284 5.572 1.00 0.00 O ATOM 1099 CB ILE A 70 1.092 9.609 3.384 1.00 0.00 C ATOM 1100 CG1 ILE A 70 1.279 11.126 3.441 1.00 0.00 C ATOM 1101 CG2 ILE A 70 -0.086 9.248 2.492 1.00 0.00 C ATOM 1102 CD1 ILE A 70 1.381 11.773 2.077 1.00 0.00 C ATOM 0 H ILE A 70 -0.688 10.422 4.931 1.00 0.00 H new ATOM 0 HA ILE A 70 0.619 7.988 4.726 1.00 0.00 H new ATOM 0 HB ILE A 70 1.993 9.166 2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.442 11.567 3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.181 11.352 4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.075 9.656 1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.177 8.164 2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.001 9.666 2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.512 12.849 2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.235 11.359 1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.469 11.578 1.513 1.00 0.00 H new ATOM 1114 N ASP A 71 2.337 10.307 6.273 1.00 0.00 N ATOM 1115 CA ASP A 71 3.533 10.562 7.068 1.00 0.00 C ATOM 1116 C ASP A 71 3.468 9.821 8.400 1.00 0.00 C ATOM 1117 O ASP A 71 4.493 9.584 9.040 1.00 0.00 O ATOM 1118 CB ASP A 71 3.698 12.063 7.313 1.00 0.00 C ATOM 1119 CG ASP A 71 4.734 12.365 8.377 1.00 0.00 C ATOM 1120 OD1 ASP A 71 5.933 12.435 8.035 1.00 0.00 O ATOM 1121 OD2 ASP A 71 4.346 12.531 9.553 1.00 0.00 O ATOM 0 H ASP A 71 1.648 11.059 6.295 1.00 0.00 H new ATOM 0 HA ASP A 71 4.395 10.196 6.510 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.985 12.551 6.382 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.740 12.487 7.613 1.00 0.00 H new ATOM 1126 N TYR A 72 2.258 9.460 8.812 1.00 0.00 N ATOM 1127 CA TYR A 72 2.059 8.749 10.069 1.00 0.00 C ATOM 1128 C TYR A 72 2.379 7.266 9.913 1.00 0.00 C ATOM 1129 O TYR A 72 2.838 6.616 10.853 1.00 0.00 O ATOM 1130 CB TYR A 72 0.619 8.924 10.556 1.00 0.00 C ATOM 1131 CG TYR A 72 -0.051 7.625 10.942 1.00 0.00 C ATOM 1132 CD1 TYR A 72 0.274 6.979 12.128 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -1.009 7.043 10.120 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.336 5.791 12.484 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -1.624 5.857 10.469 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.284 5.235 11.652 1.00 0.00 C ATOM 1137 OH TYR A 72 -1.894 4.052 12.003 1.00 0.00 O ATOM 0 H TYR A 72 1.400 9.648 8.294 1.00 0.00 H new ATOM 0 HA TYR A 72 2.739 9.172 10.808 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.614 9.595 11.415 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.035 9.405 9.772 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.016 7.412 12.783 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.277 7.527 9.192 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.071 5.301 13.409 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.367 5.419 9.819 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.537 3.797 11.309 1.00 0.00 H new ATOM 1147 N ILE A 73 2.132 6.737 8.720 1.00 0.00 N ATOM 1148 CA ILE A 73 2.395 5.331 8.439 1.00 0.00 C ATOM 1149 C ILE A 73 3.828 5.124 7.960 1.00 0.00 C ATOM 1150 O ILE A 73 4.394 4.043 8.116 1.00 0.00 O ATOM 1151 CB ILE A 73 1.426 4.778 7.376 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.783 5.328 5.994 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.010 5.128 7.736 1.00 0.00 C ATOM 1154 CD1 ILE A 73 2.632 4.385 5.170 1.00 0.00 C ATOM 0 H ILE A 73 1.750 7.261 7.932 1.00 0.00 H new ATOM 0 HA ILE A 73 2.245 4.790 9.373 1.00 0.00 H new ATOM 0 HB ILE A 73 1.520 3.692 7.350 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.864 5.546 5.450 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.314 6.272 6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.683 4.731 6.976 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.259 4.693 8.704 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.119 6.211 7.786 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.847 4.840 4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.567 4.186 5.693 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.094 3.449 5.019 1.00 0.00 H new ATOM 1166 N GLU A 74 4.408 6.169 7.378 1.00 0.00 N ATOM 1167 CA GLU A 74 5.776 6.102 6.878 1.00 0.00 C ATOM 1168 C GLU A 74 6.779 6.368 7.997 1.00 0.00 C ATOM 1169 O GLU A 74 7.907 5.877 7.966 1.00 0.00 O ATOM 1170 CB GLU A 74 5.979 7.111 5.746 1.00 0.00 C ATOM 1171 CG GLU A 74 5.296 6.715 4.447 1.00 0.00 C ATOM 1172 CD GLU A 74 6.284 6.437 3.331 1.00 0.00 C ATOM 1173 OE1 GLU A 74 6.895 7.401 2.824 1.00 0.00 O ATOM 1174 OE2 GLU A 74 6.445 5.254 2.963 1.00 0.00 O ATOM 0 H GLU A 74 3.952 7.071 7.241 1.00 0.00 H new ATOM 0 HA GLU A 74 5.946 5.096 6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.600 8.082 6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.047 7.230 5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.686 5.828 4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.620 7.512 4.139 1.00 0.00 H new ATOM 1181 N LYS A 75 6.359 7.151 8.985 1.00 0.00 N ATOM 1182 CA LYS A 75 7.217 7.483 10.116 1.00 0.00 C ATOM 1183 C LYS A 75 7.172 6.386 11.175 1.00 0.00 C ATOM 1184 O LYS A 75 8.182 6.080 11.808 1.00 0.00 O ATOM 1185 CB LYS A 75 6.791 8.818 10.731 1.00 0.00 C ATOM 1186 CG LYS A 75 5.541 8.722 11.588 1.00 0.00 C ATOM 1187 CD LYS A 75 4.956 10.094 11.878 1.00 0.00 C ATOM 1188 CE LYS A 75 5.725 10.805 12.981 1.00 0.00 C ATOM 1189 NZ LYS A 75 6.527 11.943 12.452 1.00 0.00 N ATOM 0 H LYS A 75 5.429 7.568 9.025 1.00 0.00 H new ATOM 0 HA LYS A 75 8.240 7.568 9.750 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.609 9.206 11.338 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.619 9.538 9.931 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.797 8.108 11.080 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.780 8.222 12.526 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.976 10.698 10.971 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.911 9.991 12.170 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.026 11.172 13.733 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.386 10.095 13.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.036 12.402 13.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.211 11.590 11.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.894 12.633 11.999 1.00 0.00 H new ATOM 1203 N ASN A 76 5.995 5.797 11.361 1.00 0.00 N ATOM 1204 CA ASN A 76 5.819 4.733 12.342 1.00 0.00 C ATOM 1205 C ASN A 76 6.108 3.369 11.724 1.00 0.00 C ATOM 1206 O ASN A 76 7.161 2.780 11.959 1.00 0.00 O ATOM 1207 CB ASN A 76 4.397 4.760 12.905 1.00 0.00 C ATOM 1208 CG ASN A 76 4.190 5.885 13.901 1.00 0.00 C ATOM 1209 OD1 ASN A 76 4.420 5.718 15.099 1.00 0.00 O ATOM 1210 ND2 ASN A 76 3.754 7.039 13.408 1.00 0.00 N ATOM 0 H ASN A 76 5.149 6.039 10.845 1.00 0.00 H new ATOM 0 HA ASN A 76 6.527 4.901 13.154 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.687 4.869 12.085 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.182 3.807 13.388 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.597 7.832 14.030 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.577 7.132 12.408 1.00 0.00 H new ATOM 1217 N ASN A 77 5.164 2.874 10.930 1.00 0.00 N ATOM 1218 CA ASN A 77 5.316 1.579 10.276 1.00 0.00 C ATOM 1219 C ASN A 77 6.522 1.580 9.342 1.00 0.00 C ATOM 1220 O ASN A 77 7.255 0.594 9.255 1.00 0.00 O ATOM 1221 CB ASN A 77 4.050 1.228 9.492 1.00 0.00 C ATOM 1222 CG ASN A 77 2.786 1.478 10.293 1.00 0.00 C ATOM 1223 OD1 ASN A 77 2.565 0.859 11.334 1.00 0.00 O ATOM 1224 ND2 ASN A 77 1.950 2.389 9.809 1.00 0.00 N ATOM 0 H ASN A 77 4.286 3.350 10.724 1.00 0.00 H new ATOM 0 HA ASN A 77 5.477 0.827 11.048 1.00 0.00 H new ATOM 0 HB2 ASN A 77 4.019 1.817 8.575 1.00 0.00 H new ATOM 0 HB3 ASN A 77 4.088 0.180 9.196 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.084 2.600 10.304 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.174 2.878 8.942 1.00 0.00 H new