USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 519 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 10 THR OG1 : rot -31:sc= 0.589 USER MOD Set 1.2: A 11 CYS SG : rot 60:sc= -0.212 USER MOD Set 1.3: A 14 CYS SG : rot 68:sc= 0.851 USER MOD Single : A 1 MET CE :methyl 168:sc= -0.023 (180deg=-0.307) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 177:sc= -0.75 (180deg=-0.777) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl 165:sc= -0.066 (180deg=-0.366) USER MOD Single : A 19 THR OG1 : rot 74:sc= 0.596 USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= -0.0193 (180deg=-0.12) USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= 1.02 (180deg=0.634) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0781) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -39:sc= 0.106 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0072) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.433 -2.481 6.759 1.00 0.00 N ATOM 2 CA MET A 1 -9.995 -2.748 6.872 1.00 0.00 C ATOM 3 C MET A 1 -9.679 -3.961 6.003 1.00 0.00 C ATOM 4 O MET A 1 -10.319 -5.005 6.119 1.00 0.00 O ATOM 5 CB MET A 1 -9.550 -2.909 8.332 1.00 0.00 C ATOM 6 CG MET A 1 -8.037 -3.044 8.432 1.00 0.00 C ATOM 7 SD MET A 1 -7.373 -3.432 10.068 1.00 0.00 S ATOM 8 CE MET A 1 -6.697 -5.074 9.695 1.00 0.00 C ATOM 0 H1 MET A 1 -11.680 -1.656 7.343 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.673 -2.287 5.766 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.967 -3.310 7.088 1.00 0.00 H new ATOM 0 HA MET A 1 -9.421 -1.895 6.510 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.881 -2.048 8.913 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.026 -3.788 8.766 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.717 -3.822 7.740 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.587 -2.111 8.093 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.057 -5.399 10.515 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.514 -5.784 9.569 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.113 -5.027 8.776 1.00 0.00 H new ATOM 18 N LEU A 2 -8.702 -3.796 5.116 1.00 0.00 N ATOM 19 CA LEU A 2 -8.186 -4.755 4.141 1.00 0.00 C ATOM 20 C LEU A 2 -6.858 -5.318 4.614 1.00 0.00 C ATOM 21 O LEU A 2 -6.532 -5.341 5.806 1.00 0.00 O ATOM 22 CB LEU A 2 -8.137 -4.018 2.778 1.00 0.00 C ATOM 23 CG LEU A 2 -9.435 -4.193 1.975 1.00 0.00 C ATOM 24 CD1 LEU A 2 -9.393 -3.236 0.789 1.00 0.00 C ATOM 25 CD2 LEU A 2 -9.604 -5.630 1.452 1.00 0.00 C ATOM 0 H LEU A 2 -8.206 -2.907 5.055 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.824 -5.631 4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.957 -2.956 2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.297 -4.394 2.194 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.278 -3.980 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.306 -3.342 0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.312 -2.211 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.531 -3.469 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.535 -5.706 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.767 -5.881 0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.630 -6.323 2.293 1.00 0.00 H new ATOM 37 N LYS A 3 -6.115 -5.844 3.658 1.00 0.00 N ATOM 38 CA LYS A 3 -4.789 -6.400 3.855 1.00 0.00 C ATOM 39 C LYS A 3 -4.048 -6.430 2.523 1.00 0.00 C ATOM 40 O LYS A 3 -4.606 -6.892 1.520 1.00 0.00 O ATOM 41 CB LYS A 3 -4.917 -7.816 4.438 1.00 0.00 C ATOM 42 CG LYS A 3 -3.669 -8.163 5.247 1.00 0.00 C ATOM 43 CD LYS A 3 -3.780 -9.539 5.890 1.00 0.00 C ATOM 44 CE LYS A 3 -2.483 -9.815 6.655 1.00 0.00 C ATOM 45 NZ LYS A 3 -2.578 -11.054 7.450 1.00 0.00 N ATOM 0 H LYS A 3 -6.429 -5.898 2.689 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.223 -5.782 4.553 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.801 -7.878 5.073 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.051 -8.539 3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.794 -8.134 4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.516 -7.411 6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.635 -9.575 6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.942 -10.302 5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.654 -9.895 5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.262 -8.975 7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.683 -11.212 7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.353 -10.967 8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.765 -11.859 6.818 1.00 0.00 H new ATOM 59 N LEU A 4 -2.809 -5.949 2.485 1.00 0.00 N ATOM 60 CA LEU A 4 -1.955 -5.916 1.299 1.00 0.00 C ATOM 61 C LEU A 4 -0.545 -6.311 1.686 1.00 0.00 C ATOM 62 O LEU A 4 -0.140 -6.140 2.835 1.00 0.00 O ATOM 63 CB LEU A 4 -1.770 -4.470 0.774 1.00 0.00 C ATOM 64 CG LEU A 4 -2.656 -4.024 -0.394 1.00 0.00 C ATOM 65 CD1 LEU A 4 -2.479 -2.519 -0.629 1.00 0.00 C ATOM 66 CD2 LEU A 4 -2.372 -4.780 -1.685 1.00 0.00 C ATOM 0 H LEU A 4 -2.354 -5.557 3.309 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.425 -6.571 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.939 -3.786 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.730 -4.352 0.471 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.685 -4.251 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.110 -2.204 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.765 -1.974 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.436 -2.308 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.033 -4.417 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.335 -4.620 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.545 -5.845 -1.529 1.00 0.00 H new ATOM 78 N LYS A 5 0.226 -6.721 0.690 1.00 0.00 N ATOM 79 CA LYS A 5 1.624 -7.060 0.787 1.00 0.00 C ATOM 80 C LYS A 5 2.271 -6.209 -0.299 1.00 0.00 C ATOM 81 O LYS A 5 1.672 -5.956 -1.350 1.00 0.00 O ATOM 82 CB LYS A 5 1.901 -8.546 0.529 1.00 0.00 C ATOM 83 CG LYS A 5 3.367 -8.881 0.876 1.00 0.00 C ATOM 84 CD LYS A 5 3.827 -10.232 0.340 1.00 0.00 C ATOM 85 CE LYS A 5 3.516 -11.360 1.319 1.00 0.00 C ATOM 86 NZ LYS A 5 3.850 -12.657 0.711 1.00 0.00 N ATOM 0 H LYS A 5 -0.135 -6.830 -0.258 1.00 0.00 H new ATOM 0 HA LYS A 5 2.009 -6.874 1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.228 -9.159 1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.703 -8.785 -0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.014 -8.101 0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.487 -8.869 1.959 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.338 -10.432 -0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.899 -10.202 0.148 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.085 -11.222 2.239 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.461 -11.337 1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.636 -13.421 1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.289 -12.790 -0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.862 -12.679 0.474 1.00 0.00 H new ATOM 100 N VAL A 6 3.481 -5.768 -0.031 1.00 0.00 N ATOM 101 CA VAL A 6 4.342 -4.979 -0.892 1.00 0.00 C ATOM 102 C VAL A 6 5.670 -5.720 -1.107 1.00 0.00 C ATOM 103 O VAL A 6 6.268 -6.231 -0.153 1.00 0.00 O ATOM 104 CB VAL A 6 4.686 -3.646 -0.213 1.00 0.00 C ATOM 105 CG1 VAL A 6 5.424 -2.744 -1.206 1.00 0.00 C ATOM 106 CG2 VAL A 6 3.515 -2.842 0.350 1.00 0.00 C ATOM 0 H VAL A 6 3.925 -5.967 0.865 1.00 0.00 H new ATOM 0 HA VAL A 6 3.821 -4.813 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 6 5.290 -3.939 0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.669 -1.797 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.342 -3.234 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.787 -2.558 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.889 -1.924 0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.823 -2.594 -0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.997 -3.434 1.105 1.00 0.00 H new ATOM 116 N GLU A 7 6.208 -5.665 -2.324 1.00 0.00 N ATOM 117 CA GLU A 7 7.477 -6.260 -2.704 1.00 0.00 C ATOM 118 C GLU A 7 8.228 -5.261 -3.598 1.00 0.00 C ATOM 119 O GLU A 7 7.779 -4.902 -4.694 1.00 0.00 O ATOM 120 CB GLU A 7 7.322 -7.636 -3.387 1.00 0.00 C ATOM 121 CG GLU A 7 7.426 -8.812 -2.407 1.00 0.00 C ATOM 122 CD GLU A 7 7.538 -10.176 -3.104 1.00 0.00 C ATOM 123 OE1 GLU A 7 8.456 -10.383 -3.938 1.00 0.00 O ATOM 124 OE2 GLU A 7 6.763 -11.108 -2.774 1.00 0.00 O ATOM 0 H GLU A 7 5.750 -5.185 -3.099 1.00 0.00 H new ATOM 0 HA GLU A 7 8.053 -6.460 -1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.357 -7.677 -3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.089 -7.742 -4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.296 -8.666 -1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.550 -8.814 -1.759 1.00 0.00 H new ATOM 131 N GLY A 8 9.357 -4.753 -3.108 1.00 0.00 N ATOM 132 CA GLY A 8 10.240 -3.823 -3.791 1.00 0.00 C ATOM 133 C GLY A 8 10.679 -2.621 -2.959 1.00 0.00 C ATOM 134 O GLY A 8 11.465 -1.824 -3.477 1.00 0.00 O ATOM 0 H GLY A 8 9.694 -4.994 -2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.128 -4.363 -4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.738 -3.461 -4.688 1.00 0.00 H new ATOM 138 N MET A 9 10.160 -2.399 -1.747 1.00 0.00 N ATOM 139 CA MET A 9 10.593 -1.244 -0.960 1.00 0.00 C ATOM 140 C MET A 9 12.046 -1.430 -0.523 1.00 0.00 C ATOM 141 O MET A 9 12.521 -2.556 -0.384 1.00 0.00 O ATOM 142 CB MET A 9 9.721 -1.040 0.276 1.00 0.00 C ATOM 143 CG MET A 9 8.279 -0.683 -0.058 1.00 0.00 C ATOM 144 SD MET A 9 7.328 -0.225 1.413 1.00 0.00 S ATOM 145 CE MET A 9 7.122 -1.843 2.197 1.00 0.00 C ATOM 0 H MET A 9 9.457 -2.988 -1.300 1.00 0.00 H new ATOM 0 HA MET A 9 10.498 -0.362 -1.593 1.00 0.00 H new ATOM 0 HB2 MET A 9 9.733 -1.950 0.875 1.00 0.00 H new ATOM 0 HB3 MET A 9 10.151 -0.249 0.889 1.00 0.00 H new ATOM 0 HG2 MET A 9 8.267 0.144 -0.768 1.00 0.00 H new ATOM 0 HG3 MET A 9 7.801 -1.531 -0.548 1.00 0.00 H new ATOM 0 HE1 MET A 9 6.600 -1.723 3.146 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.541 -2.493 1.543 1.00 0.00 H new ATOM 0 HE3 MET A 9 8.101 -2.288 2.375 1.00 0.00 H new ATOM 155 N THR A 10 12.751 -0.322 -0.263 1.00 0.00 N ATOM 156 CA THR A 10 14.144 -0.397 0.163 1.00 0.00 C ATOM 157 C THR A 10 14.470 0.566 1.302 1.00 0.00 C ATOM 158 O THR A 10 15.175 0.179 2.232 1.00 0.00 O ATOM 159 CB THR A 10 15.098 -0.213 -1.031 1.00 0.00 C ATOM 160 OG1 THR A 10 15.125 1.112 -1.541 1.00 0.00 O ATOM 161 CG2 THR A 10 14.803 -1.162 -2.198 1.00 0.00 C ATOM 0 H THR A 10 12.380 0.625 -0.340 1.00 0.00 H new ATOM 0 HA THR A 10 14.296 -1.399 0.565 1.00 0.00 H new ATOM 0 HB THR A 10 16.073 -0.452 -0.607 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.248 1.530 -1.413 1.00 0.00 H new ATOM 0 HG21 THR A 10 15.512 -0.978 -3.005 1.00 0.00 H new ATOM 0 HG22 THR A 10 14.897 -2.194 -1.860 1.00 0.00 H new ATOM 0 HG23 THR A 10 13.789 -0.990 -2.560 1.00 0.00 H new ATOM 169 N CYS A 11 13.964 1.803 1.266 1.00 0.00 N ATOM 170 CA CYS A 11 14.206 2.827 2.278 1.00 0.00 C ATOM 171 C CYS A 11 12.903 3.548 2.601 1.00 0.00 C ATOM 172 O CYS A 11 11.941 3.443 1.841 1.00 0.00 O ATOM 173 CB CYS A 11 15.235 3.846 1.754 1.00 0.00 C ATOM 174 SG CYS A 11 16.714 3.023 1.101 1.00 0.00 S ATOM 0 H CYS A 11 13.359 2.125 0.510 1.00 0.00 H new ATOM 0 HA CYS A 11 14.593 2.352 3.179 1.00 0.00 H new ATOM 0 HB2 CYS A 11 14.780 4.454 0.972 1.00 0.00 H new ATOM 0 HB3 CYS A 11 15.520 4.523 2.559 1.00 0.00 H new ATOM 0 HG CYS A 11 16.377 2.237 0.122 1.00 0.00 H new ATOM 180 N ASN A 12 12.914 4.357 3.665 1.00 0.00 N ATOM 181 CA ASN A 12 11.775 5.139 4.151 1.00 0.00 C ATOM 182 C ASN A 12 11.112 5.933 3.024 1.00 0.00 C ATOM 183 O ASN A 12 9.885 5.930 2.924 1.00 0.00 O ATOM 184 CB ASN A 12 12.213 6.095 5.272 1.00 0.00 C ATOM 185 CG ASN A 12 12.475 5.392 6.601 1.00 0.00 C ATOM 186 OD1 ASN A 12 13.127 4.350 6.640 1.00 0.00 O ATOM 187 ND2 ASN A 12 11.992 5.942 7.702 1.00 0.00 N ATOM 0 H ASN A 12 13.751 4.490 4.233 1.00 0.00 H new ATOM 0 HA ASN A 12 11.044 4.433 4.545 1.00 0.00 H new ATOM 0 HB2 ASN A 12 13.118 6.617 4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.442 6.852 5.416 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.158 5.502 8.607 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.454 6.807 7.646 1.00 0.00 H new ATOM 194 N HIS A 13 11.909 6.564 2.150 1.00 0.00 N ATOM 195 CA HIS A 13 11.399 7.351 1.028 1.00 0.00 C ATOM 196 C HIS A 13 10.521 6.503 0.092 1.00 0.00 C ATOM 197 O HIS A 13 9.521 6.980 -0.436 1.00 0.00 O ATOM 198 CB HIS A 13 12.551 8.016 0.267 1.00 0.00 C ATOM 199 CG HIS A 13 12.090 9.228 -0.505 1.00 0.00 C ATOM 200 ND1 HIS A 13 12.129 10.528 -0.050 1.00 0.00 N ATOM 201 CD2 HIS A 13 11.512 9.238 -1.746 1.00 0.00 C ATOM 202 CE1 HIS A 13 11.608 11.310 -1.010 1.00 0.00 C ATOM 203 NE2 HIS A 13 11.249 10.575 -2.081 1.00 0.00 N ATOM 0 H HIS A 13 12.927 6.540 2.205 1.00 0.00 H new ATOM 0 HA HIS A 13 10.763 8.138 1.434 1.00 0.00 H new ATOM 0 HB2 HIS A 13 13.330 8.309 0.971 1.00 0.00 H new ATOM 0 HB3 HIS A 13 12.996 7.296 -0.420 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.297 8.373 -2.357 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.493 12.381 -0.934 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.863 10.921 -2.959 1.00 0.00 H new ATOM 211 N CYS A 14 10.887 5.237 -0.132 1.00 0.00 N ATOM 212 CA CYS A 14 10.121 4.339 -0.987 1.00 0.00 C ATOM 213 C CYS A 14 8.751 4.086 -0.359 1.00 0.00 C ATOM 214 O CYS A 14 7.754 4.021 -1.073 1.00 0.00 O ATOM 215 CB CYS A 14 10.857 3.003 -1.173 1.00 0.00 C ATOM 216 SG CYS A 14 12.604 3.279 -1.586 1.00 0.00 S ATOM 0 H CYS A 14 11.720 4.812 0.275 1.00 0.00 H new ATOM 0 HA CYS A 14 10.001 4.806 -1.964 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.784 2.412 -0.260 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.378 2.426 -1.965 1.00 0.00 H new ATOM 0 HG CYS A 14 13.217 3.792 -0.560 1.00 0.00 H new ATOM 222 N VAL A 15 8.718 3.931 0.967 1.00 0.00 N ATOM 223 CA VAL A 15 7.500 3.687 1.716 1.00 0.00 C ATOM 224 C VAL A 15 6.583 4.906 1.608 1.00 0.00 C ATOM 225 O VAL A 15 5.464 4.771 1.128 1.00 0.00 O ATOM 226 CB VAL A 15 7.793 3.348 3.198 1.00 0.00 C ATOM 227 CG1 VAL A 15 6.573 2.666 3.826 1.00 0.00 C ATOM 228 CG2 VAL A 15 9.009 2.439 3.427 1.00 0.00 C ATOM 0 H VAL A 15 9.553 3.973 1.551 1.00 0.00 H new ATOM 0 HA VAL A 15 7.001 2.819 1.285 1.00 0.00 H new ATOM 0 HB VAL A 15 8.020 4.307 3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.785 2.430 4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.714 3.335 3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.351 1.747 3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.133 2.259 4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.855 1.490 2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.904 2.922 3.035 1.00 0.00 H new ATOM 238 N MET A 16 7.035 6.094 2.035 1.00 0.00 N ATOM 239 CA MET A 16 6.217 7.310 2.006 1.00 0.00 C ATOM 240 C MET A 16 5.613 7.619 0.639 1.00 0.00 C ATOM 241 O MET A 16 4.455 8.042 0.589 1.00 0.00 O ATOM 242 CB MET A 16 6.930 8.503 2.649 1.00 0.00 C ATOM 243 CG MET A 16 8.252 8.913 1.998 1.00 0.00 C ATOM 244 SD MET A 16 8.214 9.790 0.409 1.00 0.00 S ATOM 245 CE MET A 16 7.236 11.239 0.845 1.00 0.00 C ATOM 0 H MET A 16 7.974 6.236 2.408 1.00 0.00 H new ATOM 0 HA MET A 16 5.352 7.101 2.635 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.256 9.359 2.630 1.00 0.00 H new ATOM 0 HB3 MET A 16 7.119 8.269 3.697 1.00 0.00 H new ATOM 0 HG2 MET A 16 8.788 9.542 2.709 1.00 0.00 H new ATOM 0 HG3 MET A 16 8.846 8.009 1.861 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.343 11.997 0.069 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.187 10.957 0.934 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.586 11.641 1.796 1.00 0.00 H new ATOM 255 N ALA A 17 6.342 7.362 -0.451 1.00 0.00 N ATOM 256 CA ALA A 17 5.855 7.600 -1.801 1.00 0.00 C ATOM 257 C ALA A 17 4.570 6.800 -2.009 1.00 0.00 C ATOM 258 O ALA A 17 3.509 7.342 -2.324 1.00 0.00 O ATOM 259 CB ALA A 17 6.926 7.161 -2.811 1.00 0.00 C ATOM 0 H ALA A 17 7.288 6.982 -0.415 1.00 0.00 H new ATOM 0 HA ALA A 17 5.647 8.660 -1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.565 7.338 -3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.838 7.734 -2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.136 6.099 -2.681 1.00 0.00 H new ATOM 265 N VAL A 18 4.672 5.497 -1.770 1.00 0.00 N ATOM 266 CA VAL A 18 3.587 4.550 -1.922 1.00 0.00 C ATOM 267 C VAL A 18 2.480 4.856 -0.913 1.00 0.00 C ATOM 268 O VAL A 18 1.314 4.865 -1.293 1.00 0.00 O ATOM 269 CB VAL A 18 4.164 3.131 -1.860 1.00 0.00 C ATOM 270 CG1 VAL A 18 3.048 2.109 -2.095 1.00 0.00 C ATOM 271 CG2 VAL A 18 5.275 2.918 -2.919 1.00 0.00 C ATOM 0 H VAL A 18 5.540 5.063 -1.456 1.00 0.00 H new ATOM 0 HA VAL A 18 3.102 4.636 -2.894 1.00 0.00 H new ATOM 0 HB VAL A 18 4.602 2.995 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.462 1.102 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.284 2.222 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.603 2.275 -3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.659 1.901 -2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.863 3.078 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.085 3.626 -2.744 1.00 0.00 H new ATOM 281 N THR A 19 2.794 5.203 0.337 1.00 0.00 N ATOM 282 CA THR A 19 1.786 5.543 1.335 1.00 0.00 C ATOM 283 C THR A 19 0.921 6.679 0.772 1.00 0.00 C ATOM 284 O THR A 19 -0.306 6.641 0.851 1.00 0.00 O ATOM 285 CB THR A 19 2.475 5.983 2.637 1.00 0.00 C ATOM 286 OG1 THR A 19 3.322 4.967 3.118 1.00 0.00 O ATOM 287 CG2 THR A 19 1.473 6.305 3.749 1.00 0.00 C ATOM 0 H THR A 19 3.752 5.255 0.682 1.00 0.00 H new ATOM 0 HA THR A 19 1.159 4.679 1.557 1.00 0.00 H new ATOM 0 HB THR A 19 3.039 6.882 2.388 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.125 4.918 2.558 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.011 6.610 4.646 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.818 7.114 3.426 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.875 5.420 3.968 1.00 0.00 H new ATOM 295 N LYS A 20 1.546 7.709 0.194 1.00 0.00 N ATOM 296 CA LYS A 20 0.828 8.837 -0.380 1.00 0.00 C ATOM 297 C LYS A 20 0.042 8.422 -1.613 1.00 0.00 C ATOM 298 O LYS A 20 -1.054 8.955 -1.814 1.00 0.00 O ATOM 299 CB LYS A 20 1.818 9.969 -0.690 1.00 0.00 C ATOM 300 CG LYS A 20 2.357 10.638 0.591 1.00 0.00 C ATOM 301 CD LYS A 20 1.347 11.586 1.261 1.00 0.00 C ATOM 302 CE LYS A 20 0.961 12.782 0.383 1.00 0.00 C ATOM 303 NZ LYS A 20 2.139 13.582 -0.004 1.00 0.00 N ATOM 0 H LYS A 20 2.560 7.779 0.114 1.00 0.00 H new ATOM 0 HA LYS A 20 0.100 9.201 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.652 9.572 -1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.327 10.719 -1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.643 9.864 1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.261 11.197 0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.447 11.026 1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.769 11.953 2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.453 12.426 -0.513 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.253 13.414 0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.826 14.460 -0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.694 13.815 0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.728 13.035 -0.664 1.00 0.00 H new ATOM 317 N ALA A 21 0.565 7.512 -2.429 1.00 0.00 N ATOM 318 CA ALA A 21 -0.113 7.039 -3.624 1.00 0.00 C ATOM 319 C ALA A 21 -1.324 6.170 -3.272 1.00 0.00 C ATOM 320 O ALA A 21 -2.356 6.297 -3.926 1.00 0.00 O ATOM 321 CB ALA A 21 0.868 6.308 -4.535 1.00 0.00 C ATOM 0 H ALA A 21 1.477 7.081 -2.276 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.495 7.902 -4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.346 5.959 -5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.669 6.987 -4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.290 5.455 -4.005 1.00 0.00 H new ATOM 327 N LEU A 22 -1.270 5.359 -2.211 1.00 0.00 N ATOM 328 CA LEU A 22 -2.382 4.500 -1.800 1.00 0.00 C ATOM 329 C LEU A 22 -3.584 5.371 -1.459 1.00 0.00 C ATOM 330 O LEU A 22 -4.717 5.064 -1.817 1.00 0.00 O ATOM 331 CB LEU A 22 -1.962 3.632 -0.598 1.00 0.00 C ATOM 332 CG LEU A 22 -1.295 2.316 -1.050 1.00 0.00 C ATOM 333 CD1 LEU A 22 -0.263 1.820 -0.036 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.346 1.224 -1.282 1.00 0.00 C ATOM 0 H LEU A 22 -0.449 5.280 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.656 3.829 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.271 4.192 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.837 3.406 0.011 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.780 2.530 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.182 0.892 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.516 2.572 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.751 1.643 0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.852 0.306 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.891 1.041 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.043 1.548 -2.055 1.00 0.00 H new ATOM 346 N LYS A 23 -3.335 6.508 -0.808 1.00 0.00 N ATOM 347 CA LYS A 23 -4.367 7.460 -0.409 1.00 0.00 C ATOM 348 C LYS A 23 -5.034 8.152 -1.606 1.00 0.00 C ATOM 349 O LYS A 23 -6.021 8.856 -1.409 1.00 0.00 O ATOM 350 CB LYS A 23 -3.793 8.433 0.630 1.00 0.00 C ATOM 351 CG LYS A 23 -3.313 7.671 1.883 1.00 0.00 C ATOM 352 CD LYS A 23 -2.720 8.572 2.971 1.00 0.00 C ATOM 353 CE LYS A 23 -3.706 8.774 4.128 1.00 0.00 C ATOM 354 NZ LYS A 23 -4.872 9.605 3.757 1.00 0.00 N ATOM 0 H LYS A 23 -2.394 6.796 -0.540 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.183 6.914 0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.962 8.989 0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.552 9.163 0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.153 7.117 2.302 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.564 6.938 1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.798 8.130 3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.457 9.539 2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.056 7.801 4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.185 9.241 4.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.629 9.475 4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.591 10.606 3.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.217 9.319 2.818 1.00 0.00 H new ATOM 368 N LYS A 24 -4.523 8.003 -2.838 1.00 0.00 N ATOM 369 CA LYS A 24 -5.158 8.613 -4.011 1.00 0.00 C ATOM 370 C LYS A 24 -6.486 7.912 -4.296 1.00 0.00 C ATOM 371 O LYS A 24 -7.380 8.535 -4.872 1.00 0.00 O ATOM 372 CB LYS A 24 -4.334 8.402 -5.291 1.00 0.00 C ATOM 373 CG LYS A 24 -2.952 9.061 -5.365 1.00 0.00 C ATOM 374 CD LYS A 24 -2.216 8.429 -6.558 1.00 0.00 C ATOM 375 CE LYS A 24 -0.803 8.965 -6.775 1.00 0.00 C ATOM 376 NZ LYS A 24 -0.127 8.247 -7.877 1.00 0.00 N ATOM 0 H LYS A 24 -3.679 7.469 -3.045 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.263 9.673 -3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.202 7.329 -5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.924 8.764 -6.133 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.045 10.139 -5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.398 8.900 -4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.165 7.350 -6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.800 8.599 -7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.845 10.030 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.225 8.858 -5.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.832 8.630 -8.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.068 7.235 -7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.669 8.371 -8.756 1.00 0.00 H new ATOM 390 N VAL A 25 -6.589 6.631 -3.942 1.00 0.00 N ATOM 391 CA VAL A 25 -7.751 5.791 -4.167 1.00 0.00 C ATOM 392 C VAL A 25 -9.015 6.339 -3.505 1.00 0.00 C ATOM 393 O VAL A 25 -8.998 6.658 -2.308 1.00 0.00 O ATOM 394 CB VAL A 25 -7.397 4.339 -3.782 1.00 0.00 C ATOM 395 CG1 VAL A 25 -8.570 3.368 -3.975 1.00 0.00 C ATOM 396 CG2 VAL A 25 -6.206 3.802 -4.595 1.00 0.00 C ATOM 0 H VAL A 25 -5.831 6.136 -3.472 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.008 5.795 -5.226 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.140 4.387 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.261 2.363 -3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.408 3.682 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.875 3.369 -5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.991 2.777 -4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.452 3.822 -5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.331 4.425 -4.413 1.00 0.00 H new ATOM 406 N PRO A 26 -10.122 6.445 -4.269 1.00 0.00 N ATOM 407 CA PRO A 26 -11.376 6.929 -3.750 1.00 0.00 C ATOM 408 C PRO A 26 -11.897 5.894 -2.760 1.00 0.00 C ATOM 409 O PRO A 26 -12.133 4.727 -3.091 1.00 0.00 O ATOM 410 CB PRO A 26 -12.304 7.146 -4.945 1.00 0.00 C ATOM 411 CG PRO A 26 -11.782 6.161 -5.984 1.00 0.00 C ATOM 412 CD PRO A 26 -10.285 6.116 -5.683 1.00 0.00 C ATOM 0 HA PRO A 26 -11.291 7.875 -3.216 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -13.344 6.944 -4.688 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.259 8.173 -5.307 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.245 5.180 -5.880 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.981 6.502 -7.000 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.878 5.128 -5.898 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.745 6.826 -6.309 1.00 0.00 H new ATOM 420 N GLY A 27 -12.006 6.341 -1.523 1.00 0.00 N ATOM 421 CA GLY A 27 -12.490 5.594 -0.376 1.00 0.00 C ATOM 422 C GLY A 27 -11.433 5.436 0.708 1.00 0.00 C ATOM 423 O GLY A 27 -11.776 5.019 1.815 1.00 0.00 O ATOM 0 H GLY A 27 -11.743 7.295 -1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.360 6.100 0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.821 4.608 -0.702 1.00 0.00 H new ATOM 427 N VAL A 28 -10.155 5.701 0.420 1.00 0.00 N ATOM 428 CA VAL A 28 -9.106 5.582 1.424 1.00 0.00 C ATOM 429 C VAL A 28 -9.186 6.805 2.326 1.00 0.00 C ATOM 430 O VAL A 28 -9.369 7.920 1.839 1.00 0.00 O ATOM 431 CB VAL A 28 -7.716 5.467 0.773 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.604 5.387 1.833 1.00 0.00 C ATOM 433 CG2 VAL A 28 -7.656 4.193 -0.065 1.00 0.00 C ATOM 0 H VAL A 28 -9.828 5.998 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.252 4.673 2.007 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.562 6.354 0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.636 5.307 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.623 6.286 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.764 4.512 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.673 4.108 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.832 3.328 0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.420 4.232 -0.841 1.00 0.00 H new ATOM 443 N GLU A 29 -8.977 6.592 3.623 1.00 0.00 N ATOM 444 CA GLU A 29 -8.997 7.636 4.639 1.00 0.00 C ATOM 445 C GLU A 29 -7.646 7.651 5.343 1.00 0.00 C ATOM 446 O GLU A 29 -6.947 8.664 5.371 1.00 0.00 O ATOM 447 CB GLU A 29 -10.140 7.383 5.631 1.00 0.00 C ATOM 448 CG GLU A 29 -11.503 7.380 4.927 1.00 0.00 C ATOM 449 CD GLU A 29 -12.532 8.198 5.693 1.00 0.00 C ATOM 450 OE1 GLU A 29 -12.575 9.429 5.450 1.00 0.00 O ATOM 451 OE2 GLU A 29 -13.323 7.625 6.479 1.00 0.00 O ATOM 0 H GLU A 29 -8.785 5.665 4.004 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.171 8.609 4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.985 6.427 6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.130 8.152 6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.394 7.783 3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.857 6.354 4.823 1.00 0.00 H new ATOM 458 N LYS A 30 -7.236 6.500 5.874 1.00 0.00 N ATOM 459 CA LYS A 30 -5.985 6.337 6.587 1.00 0.00 C ATOM 460 C LYS A 30 -5.362 5.031 6.130 1.00 0.00 C ATOM 461 O LYS A 30 -6.082 4.142 5.658 1.00 0.00 O ATOM 462 CB LYS A 30 -6.304 6.404 8.085 1.00 0.00 C ATOM 463 CG LYS A 30 -5.088 6.664 8.970 1.00 0.00 C ATOM 464 CD LYS A 30 -4.505 5.402 9.617 1.00 0.00 C ATOM 465 CE LYS A 30 -3.581 5.773 10.776 1.00 0.00 C ATOM 466 NZ LYS A 30 -2.499 6.697 10.385 1.00 0.00 N ATOM 0 H LYS A 30 -7.782 5.640 5.815 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.252 7.118 6.383 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.038 7.192 8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.767 5.465 8.389 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.313 7.145 8.373 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.367 7.367 9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.313 4.765 9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.953 4.827 8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.171 6.230 11.570 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.142 4.864 11.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.831 6.803 11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.998 6.315 9.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.904 7.625 10.147 1.00 0.00 H new ATOM 480 N VAL A 31 -4.040 4.948 6.227 1.00 0.00 N ATOM 481 CA VAL A 31 -3.273 3.784 5.822 1.00 0.00 C ATOM 482 C VAL A 31 -2.130 3.512 6.801 1.00 0.00 C ATOM 483 O VAL A 31 -1.766 4.364 7.622 1.00 0.00 O ATOM 484 CB VAL A 31 -2.736 4.011 4.386 1.00 0.00 C ATOM 485 CG1 VAL A 31 -3.842 4.092 3.332 1.00 0.00 C ATOM 486 CG2 VAL A 31 -1.853 5.255 4.239 1.00 0.00 C ATOM 0 H VAL A 31 -3.464 5.704 6.597 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.918 2.905 5.830 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.127 3.124 4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.397 4.252 2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.409 3.161 3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.509 4.921 3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.518 5.343 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.425 6.142 4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.987 5.166 4.895 1.00 0.00 H new ATOM 496 N GLU A 32 -1.505 2.352 6.669 1.00 0.00 N ATOM 497 CA GLU A 32 -0.375 1.861 7.437 1.00 0.00 C ATOM 498 C GLU A 32 0.506 1.145 6.413 1.00 0.00 C ATOM 499 O GLU A 32 -0.028 0.506 5.502 1.00 0.00 O ATOM 500 CB GLU A 32 -0.844 0.911 8.558 1.00 0.00 C ATOM 501 CG GLU A 32 -0.292 1.284 9.939 1.00 0.00 C ATOM 502 CD GLU A 32 1.234 1.192 10.019 1.00 0.00 C ATOM 503 OE1 GLU A 32 1.919 2.032 9.392 1.00 0.00 O ATOM 504 OE2 GLU A 32 1.740 0.307 10.751 1.00 0.00 O ATOM 0 H GLU A 32 -1.800 1.676 5.964 1.00 0.00 H new ATOM 0 HA GLU A 32 0.167 2.660 7.943 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.933 0.915 8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.538 -0.106 8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.603 2.299 10.186 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.730 0.625 10.689 1.00 0.00 H new ATOM 511 N VAL A 33 1.825 1.314 6.494 1.00 0.00 N ATOM 512 CA VAL A 33 2.796 0.687 5.595 1.00 0.00 C ATOM 513 C VAL A 33 4.096 0.529 6.395 1.00 0.00 C ATOM 514 O VAL A 33 4.512 1.477 7.076 1.00 0.00 O ATOM 515 CB VAL A 33 3.031 1.514 4.301 1.00 0.00 C ATOM 516 CG1 VAL A 33 3.777 0.662 3.262 1.00 0.00 C ATOM 517 CG2 VAL A 33 1.766 2.048 3.599 1.00 0.00 C ATOM 0 H VAL A 33 2.260 1.905 7.203 1.00 0.00 H new ATOM 0 HA VAL A 33 2.419 -0.278 5.255 1.00 0.00 H new ATOM 0 HB VAL A 33 3.598 2.377 4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.938 1.249 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.739 0.352 3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.184 -0.220 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.053 2.609 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.129 1.212 3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.221 2.702 4.280 1.00 0.00 H new ATOM 527 N SER A 34 4.771 -0.618 6.300 1.00 0.00 N ATOM 528 CA SER A 34 6.006 -0.872 7.028 1.00 0.00 C ATOM 529 C SER A 34 7.022 -1.556 6.125 1.00 0.00 C ATOM 530 O SER A 34 6.711 -2.554 5.474 1.00 0.00 O ATOM 531 CB SER A 34 5.704 -1.737 8.255 1.00 0.00 C ATOM 532 OG SER A 34 6.686 -1.580 9.274 1.00 0.00 O ATOM 0 H SER A 34 4.472 -1.397 5.713 1.00 0.00 H new ATOM 0 HA SER A 34 6.432 0.076 7.358 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.724 -1.473 8.652 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.655 -2.784 7.957 1.00 0.00 H new ATOM 0 HG SER A 34 6.456 -2.147 10.040 1.00 0.00 H new ATOM 538 N LEU A 35 8.237 -1.010 6.091 1.00 0.00 N ATOM 539 CA LEU A 35 9.350 -1.518 5.306 1.00 0.00 C ATOM 540 C LEU A 35 9.782 -2.878 5.842 1.00 0.00 C ATOM 541 O LEU A 35 9.898 -3.822 5.072 1.00 0.00 O ATOM 542 CB LEU A 35 10.501 -0.502 5.347 1.00 0.00 C ATOM 543 CG LEU A 35 11.812 -0.976 4.695 1.00 0.00 C ATOM 544 CD1 LEU A 35 11.667 -1.342 3.217 1.00 0.00 C ATOM 545 CD2 LEU A 35 12.838 0.154 4.800 1.00 0.00 C ATOM 0 H LEU A 35 8.476 -0.176 6.627 1.00 0.00 H new ATOM 0 HA LEU A 35 9.048 -1.652 4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.176 0.412 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.702 -0.246 6.387 1.00 0.00 H new ATOM 0 HG LEU A 35 12.120 -1.878 5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.631 -1.667 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.942 -2.149 3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.324 -0.471 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.776 -0.162 4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.462 1.036 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.009 0.394 5.849 1.00 0.00 H new ATOM 557 N GLU A 36 9.978 -3.001 7.159 1.00 0.00 N ATOM 558 CA GLU A 36 10.404 -4.265 7.755 1.00 0.00 C ATOM 559 C GLU A 36 9.400 -5.400 7.531 1.00 0.00 C ATOM 560 O GLU A 36 9.800 -6.553 7.354 1.00 0.00 O ATOM 561 CB GLU A 36 10.724 -4.094 9.251 1.00 0.00 C ATOM 562 CG GLU A 36 9.495 -3.833 10.137 1.00 0.00 C ATOM 563 CD GLU A 36 9.800 -3.663 11.626 1.00 0.00 C ATOM 564 OE1 GLU A 36 10.848 -4.140 12.122 1.00 0.00 O ATOM 565 OE2 GLU A 36 8.922 -3.115 12.331 1.00 0.00 O ATOM 0 H GLU A 36 9.848 -2.242 7.828 1.00 0.00 H new ATOM 0 HA GLU A 36 11.319 -4.556 7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.229 -4.992 9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.424 -3.267 9.368 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.991 -2.935 9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.796 -4.660 10.016 1.00 0.00 H new ATOM 572 N LYS A 37 8.105 -5.081 7.533 1.00 0.00 N ATOM 573 CA LYS A 37 7.038 -6.061 7.350 1.00 0.00 C ATOM 574 C LYS A 37 6.767 -6.339 5.877 1.00 0.00 C ATOM 575 O LYS A 37 6.367 -7.456 5.541 1.00 0.00 O ATOM 576 CB LYS A 37 5.731 -5.547 7.975 1.00 0.00 C ATOM 577 CG LYS A 37 5.847 -4.926 9.378 1.00 0.00 C ATOM 578 CD LYS A 37 6.100 -5.940 10.487 1.00 0.00 C ATOM 579 CE LYS A 37 4.765 -6.582 10.864 1.00 0.00 C ATOM 580 NZ LYS A 37 4.869 -7.300 12.143 1.00 0.00 N ATOM 0 H LYS A 37 7.766 -4.128 7.663 1.00 0.00 H new ATOM 0 HA LYS A 37 7.370 -6.979 7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.301 -4.802 7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.026 -6.377 8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.657 -4.197 9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.929 -4.382 9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.806 -6.700 10.153 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.545 -5.451 11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.995 -5.814 10.936 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.455 -7.272 10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.950 -7.727 12.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.588 -8.047 12.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.143 -6.634 12.894 1.00 0.00 H new ATOM 594 N GLY A 38 6.991 -5.355 5.007 1.00 0.00 N ATOM 595 CA GLY A 38 6.736 -5.478 3.586 1.00 0.00 C ATOM 596 C GLY A 38 5.223 -5.541 3.357 1.00 0.00 C ATOM 597 O GLY A 38 4.770 -6.266 2.474 1.00 0.00 O ATOM 0 H GLY A 38 7.359 -4.443 5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.163 -4.629 3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.214 -6.375 3.193 1.00 0.00 H new ATOM 601 N GLU A 39 4.412 -4.851 4.172 1.00 0.00 N ATOM 602 CA GLU A 39 2.961 -4.874 4.010 1.00 0.00 C ATOM 603 C GLU A 39 2.332 -3.503 4.158 1.00 0.00 C ATOM 604 O GLU A 39 2.981 -2.540 4.579 1.00 0.00 O ATOM 605 CB GLU A 39 2.296 -5.912 4.923 1.00 0.00 C ATOM 606 CG GLU A 39 2.303 -5.654 6.417 1.00 0.00 C ATOM 607 CD GLU A 39 1.715 -6.842 7.166 1.00 0.00 C ATOM 608 OE1 GLU A 39 2.472 -7.791 7.470 1.00 0.00 O ATOM 609 OE2 GLU A 39 0.489 -6.857 7.433 1.00 0.00 O ATOM 0 H GLU A 39 4.740 -4.273 4.946 1.00 0.00 H new ATOM 0 HA GLU A 39 2.775 -5.186 2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.258 -6.018 4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.782 -6.872 4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.323 -5.472 6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.728 -4.755 6.640 1.00 0.00 H new ATOM 616 N ALA A 40 1.048 -3.445 3.802 1.00 0.00 N ATOM 617 CA ALA A 40 0.241 -2.253 3.841 1.00 0.00 C ATOM 618 C ALA A 40 -1.174 -2.596 4.314 1.00 0.00 C ATOM 619 O ALA A 40 -1.743 -3.623 3.948 1.00 0.00 O ATOM 620 CB ALA A 40 0.246 -1.646 2.432 1.00 0.00 C ATOM 0 H ALA A 40 0.536 -4.262 3.469 1.00 0.00 H new ATOM 0 HA ALA A 40 0.641 -1.525 4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.358 -0.738 2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.269 -1.404 2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.170 -2.364 1.725 1.00 0.00 H new ATOM 626 N LEU A 41 -1.745 -1.729 5.140 1.00 0.00 N ATOM 627 CA LEU A 41 -3.091 -1.826 5.707 1.00 0.00 C ATOM 628 C LEU A 41 -3.821 -0.528 5.346 1.00 0.00 C ATOM 629 O LEU A 41 -3.196 0.528 5.221 1.00 0.00 O ATOM 630 CB LEU A 41 -3.081 -2.012 7.239 1.00 0.00 C ATOM 631 CG LEU A 41 -2.635 -3.410 7.712 1.00 0.00 C ATOM 632 CD1 LEU A 41 -1.107 -3.555 7.773 1.00 0.00 C ATOM 633 CD2 LEU A 41 -3.201 -3.676 9.110 1.00 0.00 C ATOM 0 H LEU A 41 -1.256 -0.890 5.452 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.589 -2.705 5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.419 -1.266 7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.082 -1.815 7.622 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.013 -4.129 6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.850 -4.559 8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.686 -3.388 6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.699 -2.822 8.469 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.888 -4.664 9.448 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.829 -2.921 9.803 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.290 -3.633 9.076 1.00 0.00 H new ATOM 645 N VAL A 42 -5.136 -0.576 5.178 1.00 0.00 N ATOM 646 CA VAL A 42 -6.008 0.529 4.824 1.00 0.00 C ATOM 647 C VAL A 42 -7.193 0.532 5.790 1.00 0.00 C ATOM 648 O VAL A 42 -7.828 -0.499 6.005 1.00 0.00 O ATOM 649 CB VAL A 42 -6.455 0.327 3.363 1.00 0.00 C ATOM 650 CG1 VAL A 42 -7.424 1.424 2.898 1.00 0.00 C ATOM 651 CG2 VAL A 42 -5.253 0.280 2.408 1.00 0.00 C ATOM 0 H VAL A 42 -5.653 -1.448 5.294 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.505 1.493 4.902 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.974 -0.631 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.712 1.240 1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.313 1.416 3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.936 2.396 2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.605 0.136 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.700 1.217 2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.600 -0.547 2.686 1.00 0.00 H new ATOM 661 N GLU A 43 -7.533 1.706 6.322 1.00 0.00 N ATOM 662 CA GLU A 43 -8.643 1.883 7.256 1.00 0.00 C ATOM 663 C GLU A 43 -9.894 2.437 6.553 1.00 0.00 C ATOM 664 O GLU A 43 -10.938 2.573 7.184 1.00 0.00 O ATOM 665 CB GLU A 43 -8.172 2.798 8.396 1.00 0.00 C ATOM 666 CG GLU A 43 -9.065 2.734 9.643 1.00 0.00 C ATOM 667 CD GLU A 43 -8.316 3.181 10.900 1.00 0.00 C ATOM 668 OE1 GLU A 43 -7.729 4.283 10.931 1.00 0.00 O ATOM 669 OE2 GLU A 43 -8.274 2.393 11.876 1.00 0.00 O ATOM 0 H GLU A 43 -7.038 2.573 6.113 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.936 0.916 7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.154 2.524 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.139 3.826 8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.940 3.367 9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.428 1.715 9.779 1.00 0.00 H new ATOM 676 N GLY A 44 -9.809 2.758 5.257 1.00 0.00 N ATOM 677 CA GLY A 44 -10.917 3.291 4.466 1.00 0.00 C ATOM 678 C GLY A 44 -11.854 2.204 3.925 1.00 0.00 C ATOM 679 O GLY A 44 -11.739 1.028 4.276 1.00 0.00 O ATOM 0 H GLY A 44 -8.948 2.651 4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.492 3.984 5.080 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.515 3.864 3.630 1.00 0.00 H new ATOM 683 N THR A 45 -12.773 2.592 3.040 1.00 0.00 N ATOM 684 CA THR A 45 -13.769 1.730 2.401 1.00 0.00 C ATOM 685 C THR A 45 -13.351 1.352 0.965 1.00 0.00 C ATOM 686 O THR A 45 -14.090 0.681 0.242 1.00 0.00 O ATOM 687 CB THR A 45 -15.145 2.428 2.518 1.00 0.00 C ATOM 688 OG1 THR A 45 -16.213 1.568 2.167 1.00 0.00 O ATOM 689 CG2 THR A 45 -15.230 3.694 1.657 1.00 0.00 C ATOM 0 H THR A 45 -12.847 3.562 2.734 1.00 0.00 H new ATOM 0 HA THR A 45 -13.844 0.768 2.908 1.00 0.00 H new ATOM 0 HB THR A 45 -15.239 2.705 3.568 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.949 1.013 1.404 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.214 4.148 1.773 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.464 4.402 1.974 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.072 3.434 0.610 1.00 0.00 H new ATOM 697 N ALA A 46 -12.154 1.773 0.542 1.00 0.00 N ATOM 698 CA ALA A 46 -11.620 1.508 -0.788 1.00 0.00 C ATOM 699 C ALA A 46 -11.560 0.013 -1.118 1.00 0.00 C ATOM 700 O ALA A 46 -11.437 -0.819 -0.219 1.00 0.00 O ATOM 701 CB ALA A 46 -10.229 2.121 -0.908 1.00 0.00 C ATOM 0 H ALA A 46 -11.522 2.317 1.129 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.300 1.964 -1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.829 1.923 -1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.291 3.198 -0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.572 1.681 -0.158 1.00 0.00 H new ATOM 707 N ASP A 47 -11.614 -0.321 -2.409 1.00 0.00 N ATOM 708 CA ASP A 47 -11.573 -1.705 -2.878 1.00 0.00 C ATOM 709 C ASP A 47 -10.128 -2.199 -2.970 1.00 0.00 C ATOM 710 O ASP A 47 -9.229 -1.414 -3.296 1.00 0.00 O ATOM 711 CB ASP A 47 -12.250 -1.860 -4.251 1.00 0.00 C ATOM 712 CG ASP A 47 -13.618 -2.528 -4.116 1.00 0.00 C ATOM 713 OD1 ASP A 47 -14.500 -1.918 -3.476 1.00 0.00 O ATOM 714 OD2 ASP A 47 -13.795 -3.659 -4.633 1.00 0.00 O ATOM 0 H ASP A 47 -11.688 0.365 -3.161 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.121 -2.306 -2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.364 -0.881 -4.717 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.615 -2.454 -4.908 1.00 0.00 H new ATOM 719 N PRO A 48 -9.883 -3.508 -2.791 1.00 0.00 N ATOM 720 CA PRO A 48 -8.539 -4.067 -2.846 1.00 0.00 C ATOM 721 C PRO A 48 -7.896 -3.942 -4.227 1.00 0.00 C ATOM 722 O PRO A 48 -6.719 -3.598 -4.325 1.00 0.00 O ATOM 723 CB PRO A 48 -8.681 -5.523 -2.403 1.00 0.00 C ATOM 724 CG PRO A 48 -10.145 -5.861 -2.653 1.00 0.00 C ATOM 725 CD PRO A 48 -10.851 -4.533 -2.424 1.00 0.00 C ATOM 0 HA PRO A 48 -7.864 -3.514 -2.192 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.021 -6.177 -2.973 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.420 -5.644 -1.352 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.305 -6.233 -3.665 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.503 -6.631 -1.970 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.752 -4.458 -3.033 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.159 -4.427 -1.384 1.00 0.00 H new ATOM 733 N LYS A 49 -8.672 -4.176 -5.291 1.00 0.00 N ATOM 734 CA LYS A 49 -8.201 -4.091 -6.668 1.00 0.00 C ATOM 735 C LYS A 49 -7.592 -2.718 -6.947 1.00 0.00 C ATOM 736 O LYS A 49 -6.501 -2.635 -7.503 1.00 0.00 O ATOM 737 CB LYS A 49 -9.323 -4.454 -7.666 1.00 0.00 C ATOM 738 CG LYS A 49 -10.661 -3.732 -7.405 1.00 0.00 C ATOM 739 CD LYS A 49 -11.748 -4.113 -8.409 1.00 0.00 C ATOM 740 CE LYS A 49 -13.070 -3.480 -7.953 1.00 0.00 C ATOM 741 NZ LYS A 49 -14.233 -4.056 -8.649 1.00 0.00 N ATOM 0 H LYS A 49 -9.656 -4.433 -5.214 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.410 -4.827 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.986 -4.217 -8.675 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.491 -5.530 -7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.005 -3.968 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.500 -2.655 -7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.483 -3.762 -9.406 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.847 -5.197 -8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.186 -3.620 -6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.037 -2.405 -8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.103 -3.598 -8.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.137 -3.900 -9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.282 -5.077 -8.457 1.00 0.00 H new ATOM 755 N ALA A 50 -8.282 -1.648 -6.551 1.00 0.00 N ATOM 756 CA ALA A 50 -7.828 -0.283 -6.763 1.00 0.00 C ATOM 757 C ALA A 50 -6.579 0.032 -5.933 1.00 0.00 C ATOM 758 O ALA A 50 -5.707 0.781 -6.371 1.00 0.00 O ATOM 759 CB ALA A 50 -8.978 0.662 -6.405 1.00 0.00 C ATOM 0 H ALA A 50 -9.179 -1.710 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.546 -0.152 -7.808 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.661 1.694 -6.556 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.836 0.449 -7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.257 0.517 -5.361 1.00 0.00 H new ATOM 765 N LEU A 51 -6.499 -0.527 -4.725 1.00 0.00 N ATOM 766 CA LEU A 51 -5.385 -0.323 -3.809 1.00 0.00 C ATOM 767 C LEU A 51 -4.112 -0.952 -4.356 1.00 0.00 C ATOM 768 O LEU A 51 -3.095 -0.267 -4.427 1.00 0.00 O ATOM 769 CB LEU A 51 -5.718 -0.893 -2.427 1.00 0.00 C ATOM 770 CG LEU A 51 -6.706 -0.023 -1.633 1.00 0.00 C ATOM 771 CD1 LEU A 51 -7.323 -0.874 -0.524 1.00 0.00 C ATOM 772 CD2 LEU A 51 -6.006 1.201 -1.036 1.00 0.00 C ATOM 0 H LEU A 51 -7.221 -1.144 -4.353 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.216 0.749 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.138 -1.892 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.797 -1.000 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.485 0.339 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.027 -0.270 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.847 -1.722 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.536 -1.238 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.729 1.798 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.212 0.875 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.579 1.803 -1.838 1.00 0.00 H new ATOM 784 N VAL A 52 -4.149 -2.235 -4.731 1.00 0.00 N ATOM 785 CA VAL A 52 -2.972 -2.914 -5.266 1.00 0.00 C ATOM 786 C VAL A 52 -2.512 -2.199 -6.546 1.00 0.00 C ATOM 787 O VAL A 52 -1.315 -1.953 -6.714 1.00 0.00 O ATOM 788 CB VAL A 52 -3.250 -4.432 -5.398 1.00 0.00 C ATOM 789 CG1 VAL A 52 -4.137 -4.850 -6.562 1.00 0.00 C ATOM 790 CG2 VAL A 52 -1.969 -5.257 -5.467 1.00 0.00 C ATOM 0 H VAL A 52 -4.982 -2.821 -4.673 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.124 -2.852 -4.584 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.802 -4.640 -4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.262 -5.933 -6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.112 -4.372 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.674 -4.545 -7.500 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.221 -6.313 -5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.383 -4.947 -6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.386 -5.101 -4.559 1.00 0.00 H new ATOM 800 N GLN A 53 -3.458 -1.777 -7.397 1.00 0.00 N ATOM 801 CA GLN A 53 -3.180 -1.071 -8.642 1.00 0.00 C ATOM 802 C GLN A 53 -2.394 0.206 -8.352 1.00 0.00 C ATOM 803 O GLN A 53 -1.383 0.471 -8.996 1.00 0.00 O ATOM 804 CB GLN A 53 -4.505 -0.738 -9.338 1.00 0.00 C ATOM 805 CG GLN A 53 -4.314 -0.292 -10.796 1.00 0.00 C ATOM 806 CD GLN A 53 -5.634 0.124 -11.442 1.00 0.00 C ATOM 807 OE1 GLN A 53 -6.706 -0.371 -11.083 1.00 0.00 O ATOM 808 NE2 GLN A 53 -5.590 1.026 -12.400 1.00 0.00 N ATOM 0 H GLN A 53 -4.454 -1.923 -7.230 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.580 -1.703 -9.297 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.154 -1.613 -9.312 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.013 0.052 -8.784 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.614 0.542 -10.832 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.870 -1.106 -11.369 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.695 1.425 -12.684 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.451 1.326 -12.858 1.00 0.00 H new ATOM 817 N ALA A 54 -2.811 0.981 -7.345 1.00 0.00 N ATOM 818 CA ALA A 54 -2.126 2.213 -6.992 1.00 0.00 C ATOM 819 C ALA A 54 -0.657 1.978 -6.622 1.00 0.00 C ATOM 820 O ALA A 54 0.131 2.923 -6.703 1.00 0.00 O ATOM 821 CB ALA A 54 -2.869 2.923 -5.855 1.00 0.00 C ATOM 0 H ALA A 54 -3.622 0.770 -6.764 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.128 2.854 -7.874 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.347 3.845 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.884 3.158 -6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.905 2.272 -4.982 1.00 0.00 H new ATOM 827 N VAL A 55 -0.271 0.788 -6.146 1.00 0.00 N ATOM 828 CA VAL A 55 1.113 0.481 -5.783 1.00 0.00 C ATOM 829 C VAL A 55 1.835 0.018 -7.052 1.00 0.00 C ATOM 830 O VAL A 55 3.034 0.266 -7.206 1.00 0.00 O ATOM 831 CB VAL A 55 1.165 -0.553 -4.638 1.00 0.00 C ATOM 832 CG1 VAL A 55 2.610 -0.771 -4.157 1.00 0.00 C ATOM 833 CG2 VAL A 55 0.332 -0.117 -3.423 1.00 0.00 C ATOM 0 H VAL A 55 -0.914 0.010 -6.002 1.00 0.00 H new ATOM 0 HA VAL A 55 1.623 1.363 -5.396 1.00 0.00 H new ATOM 0 HB VAL A 55 0.753 -1.475 -5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.618 -1.504 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.218 -1.136 -4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.019 0.172 -3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.400 -0.876 -2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.714 0.830 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.709 0.005 -3.721 1.00 0.00 H new ATOM 843 N GLU A 56 1.128 -0.662 -7.965 1.00 0.00 N ATOM 844 CA GLU A 56 1.708 -1.111 -9.223 1.00 0.00 C ATOM 845 C GLU A 56 2.078 0.131 -10.034 1.00 0.00 C ATOM 846 O GLU A 56 3.126 0.123 -10.676 1.00 0.00 O ATOM 847 CB GLU A 56 0.783 -2.093 -9.964 1.00 0.00 C ATOM 848 CG GLU A 56 0.834 -3.488 -9.325 1.00 0.00 C ATOM 849 CD GLU A 56 0.250 -4.608 -10.193 1.00 0.00 C ATOM 850 OE1 GLU A 56 0.464 -4.622 -11.429 1.00 0.00 O ATOM 851 OE2 GLU A 56 -0.377 -5.534 -9.631 1.00 0.00 O ATOM 0 H GLU A 56 0.146 -0.911 -7.847 1.00 0.00 H new ATOM 0 HA GLU A 56 2.615 -1.689 -9.046 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.240 -1.718 -9.945 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.080 -2.158 -11.011 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.871 -3.729 -9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.294 -3.460 -8.379 1.00 0.00 H new ATOM 858 N GLU A 57 1.310 1.220 -9.901 1.00 0.00 N ATOM 859 CA GLU A 57 1.545 2.488 -10.577 1.00 0.00 C ATOM 860 C GLU A 57 2.844 3.119 -10.060 1.00 0.00 C ATOM 861 O GLU A 57 3.496 3.868 -10.786 1.00 0.00 O ATOM 862 CB GLU A 57 0.356 3.421 -10.310 1.00 0.00 C ATOM 863 CG GLU A 57 -0.861 3.117 -11.189 1.00 0.00 C ATOM 864 CD GLU A 57 -0.693 3.677 -12.600 1.00 0.00 C ATOM 865 OE1 GLU A 57 -0.721 4.925 -12.750 1.00 0.00 O ATOM 866 OE2 GLU A 57 -0.596 2.883 -13.561 1.00 0.00 O ATOM 0 H GLU A 57 0.485 1.236 -9.301 1.00 0.00 H new ATOM 0 HA GLU A 57 1.643 2.325 -11.650 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.068 3.340 -9.262 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.667 4.452 -10.477 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.012 2.039 -11.241 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.755 3.542 -10.733 1.00 0.00 H new ATOM 873 N GLU A 58 3.229 2.859 -8.804 1.00 0.00 N ATOM 874 CA GLU A 58 4.468 3.381 -8.230 1.00 0.00 C ATOM 875 C GLU A 58 5.658 2.542 -8.737 1.00 0.00 C ATOM 876 O GLU A 58 6.819 2.890 -8.496 1.00 0.00 O ATOM 877 CB GLU A 58 4.422 3.362 -6.692 1.00 0.00 C ATOM 878 CG GLU A 58 3.413 4.297 -6.027 1.00 0.00 C ATOM 879 CD GLU A 58 3.530 5.751 -6.471 1.00 0.00 C ATOM 880 OE1 GLU A 58 2.909 6.119 -7.496 1.00 0.00 O ATOM 881 OE2 GLU A 58 4.169 6.550 -5.760 1.00 0.00 O ATOM 0 H GLU A 58 2.688 2.281 -8.161 1.00 0.00 H new ATOM 0 HA GLU A 58 4.588 4.417 -8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.206 2.343 -6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.415 3.611 -6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.406 3.941 -6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.543 4.246 -4.946 1.00 0.00 H new ATOM 888 N GLY A 59 5.392 1.443 -9.445 1.00 0.00 N ATOM 889 CA GLY A 59 6.376 0.543 -10.009 1.00 0.00 C ATOM 890 C GLY A 59 6.865 -0.514 -9.027 1.00 0.00 C ATOM 891 O GLY A 59 8.008 -0.951 -9.138 1.00 0.00 O ATOM 0 H GLY A 59 4.436 1.150 -9.645 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.947 0.048 -10.880 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.229 1.124 -10.360 1.00 0.00 H new ATOM 895 N TYR A 60 6.064 -0.864 -8.019 1.00 0.00 N ATOM 896 CA TYR A 60 6.401 -1.891 -7.029 1.00 0.00 C ATOM 897 C TYR A 60 5.513 -3.111 -7.309 1.00 0.00 C ATOM 898 O TYR A 60 4.664 -3.047 -8.207 1.00 0.00 O ATOM 899 CB TYR A 60 6.248 -1.330 -5.611 1.00 0.00 C ATOM 900 CG TYR A 60 7.225 -0.216 -5.281 1.00 0.00 C ATOM 901 CD1 TYR A 60 6.953 1.099 -5.690 1.00 0.00 C ATOM 902 CD2 TYR A 60 8.402 -0.484 -4.563 1.00 0.00 C ATOM 903 CE1 TYR A 60 7.852 2.144 -5.419 1.00 0.00 C ATOM 904 CE2 TYR A 60 9.317 0.550 -4.294 1.00 0.00 C ATOM 905 CZ TYR A 60 9.053 1.867 -4.731 1.00 0.00 C ATOM 906 OH TYR A 60 9.980 2.844 -4.522 1.00 0.00 O ATOM 0 H TYR A 60 5.151 -0.437 -7.864 1.00 0.00 H new ATOM 0 HA TYR A 60 7.443 -2.203 -7.106 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.231 -0.957 -5.486 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.381 -2.140 -4.894 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.037 1.311 -6.222 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.605 -1.487 -4.217 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.626 3.152 -5.735 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.226 0.336 -3.751 1.00 0.00 H new ATOM 0 HH TYR A 60 9.531 3.712 -4.454 1.00 0.00 H new ATOM 916 N LYS A 61 5.664 -4.208 -6.558 1.00 0.00 N ATOM 917 CA LYS A 61 4.883 -5.431 -6.741 1.00 0.00 C ATOM 918 C LYS A 61 4.017 -5.676 -5.511 1.00 0.00 C ATOM 919 O LYS A 61 4.499 -6.209 -4.513 1.00 0.00 O ATOM 920 CB LYS A 61 5.821 -6.620 -6.967 1.00 0.00 C ATOM 921 CG LYS A 61 6.548 -6.586 -8.314 1.00 0.00 C ATOM 922 CD LYS A 61 7.490 -7.787 -8.489 1.00 0.00 C ATOM 923 CE LYS A 61 6.843 -9.154 -8.214 1.00 0.00 C ATOM 924 NZ LYS A 61 5.588 -9.370 -8.969 1.00 0.00 N ATOM 0 H LYS A 61 6.341 -4.269 -5.798 1.00 0.00 H new ATOM 0 HA LYS A 61 4.240 -5.319 -7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.560 -6.645 -6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.245 -7.543 -6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.816 -6.579 -9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.120 -5.662 -8.394 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.878 -7.782 -9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.343 -7.663 -7.822 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.552 -9.942 -8.468 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.637 -9.243 -7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.453 -10.388 -9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.785 -8.999 -8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.643 -8.875 -9.882 1.00 0.00 H new ATOM 938 N ALA A 62 2.747 -5.301 -5.555 1.00 0.00 N ATOM 939 CA ALA A 62 1.836 -5.478 -4.445 1.00 0.00 C ATOM 940 C ALA A 62 0.926 -6.675 -4.680 1.00 0.00 C ATOM 941 O ALA A 62 0.720 -7.107 -5.818 1.00 0.00 O ATOM 942 CB ALA A 62 1.044 -4.190 -4.247 1.00 0.00 C ATOM 0 H ALA A 62 2.321 -4.862 -6.371 1.00 0.00 H new ATOM 0 HA ALA A 62 2.397 -5.686 -3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.354 -4.312 -3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.730 -3.370 -4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.481 -3.966 -5.153 1.00 0.00 H new ATOM 948 N GLU A 63 0.323 -7.169 -3.602 1.00 0.00 N ATOM 949 CA GLU A 63 -0.573 -8.308 -3.621 1.00 0.00 C ATOM 950 C GLU A 63 -1.590 -8.195 -2.493 1.00 0.00 C ATOM 951 O GLU A 63 -1.253 -7.774 -1.388 1.00 0.00 O ATOM 952 CB GLU A 63 0.283 -9.564 -3.440 1.00 0.00 C ATOM 953 CG GLU A 63 -0.551 -10.846 -3.475 1.00 0.00 C ATOM 954 CD GLU A 63 0.273 -11.988 -4.064 1.00 0.00 C ATOM 955 OE1 GLU A 63 0.523 -11.965 -5.295 1.00 0.00 O ATOM 956 OE2 GLU A 63 0.755 -12.842 -3.283 1.00 0.00 O ATOM 0 H GLU A 63 0.451 -6.774 -2.670 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.123 -8.351 -4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.038 -9.603 -4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.814 -9.505 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.878 -11.104 -2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.449 -10.689 -4.072 1.00 0.00 H new ATOM 963 N VAL A 64 -2.846 -8.531 -2.771 1.00 0.00 N ATOM 964 CA VAL A 64 -3.924 -8.493 -1.794 1.00 0.00 C ATOM 965 C VAL A 64 -3.780 -9.741 -0.917 1.00 0.00 C ATOM 966 O VAL A 64 -3.511 -10.832 -1.423 1.00 0.00 O ATOM 967 CB VAL A 64 -5.263 -8.411 -2.557 1.00 0.00 C ATOM 968 CG1 VAL A 64 -6.491 -8.535 -1.647 1.00 0.00 C ATOM 969 CG2 VAL A 64 -5.356 -7.084 -3.333 1.00 0.00 C ATOM 0 H VAL A 64 -3.146 -8.842 -3.695 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.888 -7.623 -1.139 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.270 -9.261 -3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.398 -8.469 -2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.467 -9.495 -1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.483 -7.729 -0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.306 -7.040 -3.866 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.293 -6.249 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.535 -7.022 -4.048 1.00 0.00 H new ATOM 979 N LEU A 65 -3.979 -9.594 0.395 1.00 0.00 N ATOM 980 CA LEU A 65 -3.890 -10.690 1.368 1.00 0.00 C ATOM 981 C LEU A 65 -5.255 -11.000 1.994 1.00 0.00 C ATOM 982 O LEU A 65 -5.325 -11.702 3.003 1.00 0.00 O ATOM 983 CB LEU A 65 -2.839 -10.366 2.447 1.00 0.00 C ATOM 984 CG LEU A 65 -1.362 -10.354 2.023 1.00 0.00 C ATOM 985 CD1 LEU A 65 -0.525 -9.983 3.259 1.00 0.00 C ATOM 986 CD2 LEU A 65 -0.903 -11.716 1.499 1.00 0.00 C ATOM 0 H LEU A 65 -4.210 -8.696 0.820 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.571 -11.587 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.077 -9.387 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.951 -11.091 3.253 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.234 -9.634 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.531 -9.966 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.824 -8.999 3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.688 -10.721 4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.147 -11.660 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.026 -12.466 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.503 -11.993 0.632 1.00 0.00 H new ATOM 998 N ALA A 66 -6.314 -10.406 1.448 1.00 0.00 N ATOM 999 CA ALA A 66 -7.693 -10.572 1.876 1.00 0.00 C ATOM 1000 C ALA A 66 -8.202 -11.916 1.374 1.00 0.00 C ATOM 1001 O ALA A 66 -7.922 -12.261 0.201 1.00 0.00 O ATOM 1002 CB ALA A 66 -8.535 -9.415 1.329 1.00 0.00 C ATOM 0 H ALA A 66 -6.225 -9.767 0.658 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.765 -10.557 2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.570 -9.536 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.146 -8.470 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.489 -9.414 0.240 1.00 0.00 H new TER 1008 ALA A 66