USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=13 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 13 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 17 SER OG : rot 35:sc= 0.0113 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00771 USER MOD Single : A 4 THR OG1 : rot 170:sc= -0.463 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.07 K(o=-1.1,f=-1.8) USER MOD Single : A 22 LYS NZ :NH3+ -122:sc= -0.67 (180deg=-4.15!) USER MOD Single : A 24 GLN : amide:sc= -1.57 K(o=-1.6,f=-0.12) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.713 X(o=-0.71,f=-0.56) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.32! C(o=-3.3!,f=-9.1!) USER MOD Single : A 30 THR OG1 : rot -46:sc= 0.545 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.191 USER MOD Single : A 45 MET CE :methyl -164:sc= -0.101 (180deg=-0.649) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.362 X(o=-0.36,f=-0.82) USER MOD Single : A 54 THR OG1 : rot -46:sc= 0.726 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.757 X(o=-0.76,f=-0.48) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= -0.458 (180deg=-0.458) USER MOD Single : A 64 ASN : amide:sc= -7.62! C(o=-7.6!,f=-6.7!) USER MOD Single : A 65 THR OG1 : rot -148:sc= -0.712 USER MOD Single : A 67 GLN : amide:sc= 0.167 X(o=0.17,f=-0.021) USER MOD Single : A 72 TYR OH : rot 82:sc= -3.84! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.74! C(o=-2.7!,f=-1.1!) USER MOD Single : A 77 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 4.722 -2.392 -4.159 1.00 0.00 N ATOM 43 CA SER A 3 5.650 -2.379 -5.284 1.00 0.00 C ATOM 44 C SER A 3 4.995 -1.776 -6.522 1.00 0.00 C ATOM 45 O SER A 3 3.860 -1.300 -6.470 1.00 0.00 O ATOM 46 CB SER A 3 6.136 -3.797 -5.589 1.00 0.00 C ATOM 47 OG SER A 3 7.529 -3.920 -5.358 1.00 0.00 O ATOM 0 HA SER A 3 6.505 -1.761 -5.010 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.597 -4.511 -4.967 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.913 -4.046 -6.627 1.00 0.00 H new ATOM 0 HG SER A 3 7.814 -4.836 -5.559 1.00 0.00 H new ATOM 53 N THR A 4 5.717 -1.801 -7.638 1.00 0.00 N ATOM 54 CA THR A 4 5.208 -1.257 -8.891 1.00 0.00 C ATOM 55 C THR A 4 3.892 -1.918 -9.283 1.00 0.00 C ATOM 56 O THR A 4 3.093 -1.344 -10.023 1.00 0.00 O ATOM 57 CB THR A 4 6.222 -1.439 -10.036 1.00 0.00 C ATOM 58 OG1 THR A 4 5.670 -0.946 -11.262 1.00 0.00 O ATOM 59 CG2 THR A 4 6.599 -2.904 -10.197 1.00 0.00 C ATOM 0 H THR A 4 6.657 -2.193 -7.700 1.00 0.00 H new ATOM 0 HA THR A 4 5.042 -0.192 -8.729 1.00 0.00 H new ATOM 0 HB THR A 4 7.121 -0.874 -9.789 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.370 -0.915 -11.947 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.316 -3.008 -11.011 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.045 -3.269 -9.272 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.706 -3.487 -10.423 1.00 0.00 H new ATOM 67 N PHE A 5 3.671 -3.129 -8.781 1.00 0.00 N ATOM 68 CA PHE A 5 2.450 -3.869 -9.080 1.00 0.00 C ATOM 69 C PHE A 5 1.217 -3.006 -8.832 1.00 0.00 C ATOM 70 O PHE A 5 0.261 -3.032 -9.609 1.00 0.00 O ATOM 71 CB PHE A 5 2.377 -5.138 -8.229 1.00 0.00 C ATOM 72 CG PHE A 5 1.109 -5.920 -8.425 1.00 0.00 C ATOM 73 CD1 PHE A 5 0.458 -5.912 -9.648 1.00 0.00 C ATOM 74 CD2 PHE A 5 0.570 -6.662 -7.388 1.00 0.00 C ATOM 75 CE1 PHE A 5 -0.709 -6.630 -9.831 1.00 0.00 C ATOM 76 CE2 PHE A 5 -0.597 -7.382 -7.565 1.00 0.00 C ATOM 77 CZ PHE A 5 -1.236 -7.367 -8.789 1.00 0.00 C ATOM 0 H PHE A 5 4.321 -3.618 -8.166 1.00 0.00 H new ATOM 0 HA PHE A 5 2.472 -4.147 -10.134 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.228 -5.776 -8.468 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.468 -4.866 -7.177 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.867 -5.339 -10.467 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.067 -6.679 -6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.208 -6.615 -10.789 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.008 -7.955 -6.747 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.146 -7.931 -8.931 1.00 0.00 H new ATOM 87 N ASP A 6 1.245 -2.242 -7.746 1.00 0.00 N ATOM 88 CA ASP A 6 0.130 -1.370 -7.395 1.00 0.00 C ATOM 89 C ASP A 6 -0.269 -0.494 -8.579 1.00 0.00 C ATOM 90 O ASP A 6 -1.328 -0.686 -9.177 1.00 0.00 O ATOM 91 CB ASP A 6 0.498 -0.493 -6.197 1.00 0.00 C ATOM 92 CG ASP A 6 -0.488 -0.631 -5.054 1.00 0.00 C ATOM 93 OD1 ASP A 6 -1.672 -0.923 -5.324 1.00 0.00 O ATOM 94 OD2 ASP A 6 -0.076 -0.446 -3.889 1.00 0.00 O ATOM 0 H ASP A 6 2.028 -2.209 -7.093 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.720 -1.998 -7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.495 -0.761 -5.847 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.540 0.549 -6.513 1.00 0.00 H new ATOM 99 N ASP A 7 0.586 0.467 -8.912 1.00 0.00 N ATOM 100 CA ASP A 7 0.323 1.372 -10.024 1.00 0.00 C ATOM 101 C ASP A 7 0.122 0.595 -11.322 1.00 0.00 C ATOM 102 O ASP A 7 -0.537 1.072 -12.246 1.00 0.00 O ATOM 103 CB ASP A 7 1.475 2.366 -10.184 1.00 0.00 C ATOM 104 CG ASP A 7 1.955 2.914 -8.854 1.00 0.00 C ATOM 105 OD1 ASP A 7 1.190 3.662 -8.210 1.00 0.00 O ATOM 106 OD2 ASP A 7 3.096 2.595 -8.458 1.00 0.00 O ATOM 0 H ASP A 7 1.467 0.639 -8.428 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.593 1.921 -9.804 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.305 1.877 -10.693 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.153 3.191 -10.819 1.00 0.00 H new ATOM 111 N ILE A 8 0.695 -0.602 -11.383 1.00 0.00 N ATOM 112 CA ILE A 8 0.579 -1.444 -12.567 1.00 0.00 C ATOM 113 C ILE A 8 -0.821 -2.038 -12.683 1.00 0.00 C ATOM 114 O ILE A 8 -1.322 -2.264 -13.785 1.00 0.00 O ATOM 115 CB ILE A 8 1.610 -2.588 -12.547 1.00 0.00 C ATOM 116 CG1 ILE A 8 2.989 -2.069 -12.959 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.167 -3.716 -13.468 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.117 -3.019 -12.624 1.00 0.00 C ATOM 0 H ILE A 8 1.244 -1.011 -10.627 1.00 0.00 H new ATOM 0 HA ILE A 8 0.773 -0.806 -13.429 1.00 0.00 H new ATOM 0 HB ILE A 8 1.678 -2.978 -11.531 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.991 -1.880 -14.032 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.171 -1.114 -12.466 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.906 -4.517 -13.443 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.203 -4.101 -13.135 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.075 -3.339 -14.487 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.065 -2.586 -12.944 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.141 -3.190 -11.548 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.959 -3.967 -13.138 1.00 0.00 H new ATOM 130 N LYS A 9 -1.449 -2.288 -11.539 1.00 0.00 N ATOM 131 CA LYS A 9 -2.793 -2.853 -11.511 1.00 0.00 C ATOM 132 C LYS A 9 -3.841 -1.776 -11.773 1.00 0.00 C ATOM 133 O LYS A 9 -4.933 -2.064 -12.263 1.00 0.00 O ATOM 134 CB LYS A 9 -3.059 -3.521 -10.160 1.00 0.00 C ATOM 135 CG LYS A 9 -3.771 -2.620 -9.166 1.00 0.00 C ATOM 136 CD LYS A 9 -3.540 -3.077 -7.735 1.00 0.00 C ATOM 137 CE LYS A 9 -4.725 -2.739 -6.844 1.00 0.00 C ATOM 138 NZ LYS A 9 -5.617 -3.913 -6.638 1.00 0.00 N ATOM 0 H LYS A 9 -1.048 -2.108 -10.618 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.862 -3.602 -12.300 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.658 -4.417 -10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.111 -3.844 -9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.417 -1.596 -9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.840 -2.614 -9.379 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.367 -4.153 -7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.641 -2.603 -7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.364 -2.384 -5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.295 -1.924 -7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.412 -3.641 -6.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.982 -4.237 -7.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.080 -4.682 -6.188 1.00 0.00 H new ATOM 152 N LYS A 10 -3.501 -0.534 -11.445 1.00 0.00 N ATOM 153 CA LYS A 10 -4.411 0.587 -11.647 1.00 0.00 C ATOM 154 C LYS A 10 -4.391 1.049 -13.101 1.00 0.00 C ATOM 155 O LYS A 10 -5.382 1.577 -13.607 1.00 0.00 O ATOM 156 CB LYS A 10 -4.034 1.750 -10.726 1.00 0.00 C ATOM 157 CG LYS A 10 -3.043 2.719 -11.346 1.00 0.00 C ATOM 158 CD LYS A 10 -3.750 3.860 -12.059 1.00 0.00 C ATOM 159 CE LYS A 10 -4.163 4.954 -11.086 1.00 0.00 C ATOM 160 NZ LYS A 10 -5.489 5.535 -11.436 1.00 0.00 N ATOM 0 H LYS A 10 -2.601 -0.278 -11.038 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.419 0.252 -11.404 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.938 2.294 -10.452 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.611 1.350 -9.804 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.392 3.122 -10.570 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.406 2.187 -12.052 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.092 4.278 -12.820 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.631 3.478 -12.574 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.200 4.547 -10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.410 5.742 -11.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.735 6.277 -10.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.447 5.946 -12.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.212 4.788 -11.413 1.00 0.00 H new ATOM 174 N ILE A 11 -3.259 0.845 -13.766 1.00 0.00 N ATOM 175 CA ILE A 11 -3.113 1.239 -15.162 1.00 0.00 C ATOM 176 C ILE A 11 -3.682 0.176 -16.095 1.00 0.00 C ATOM 177 O ILE A 11 -4.263 0.494 -17.134 1.00 0.00 O ATOM 178 CB ILE A 11 -1.637 1.487 -15.525 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.808 0.227 -15.270 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.086 2.660 -14.728 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.658 0.388 -15.610 1.00 0.00 C ATOM 0 H ILE A 11 -2.430 0.410 -13.361 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.671 2.167 -15.288 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.575 1.732 -16.585 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.901 -0.053 -14.221 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.220 -0.594 -15.856 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.042 2.823 -14.995 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.663 3.557 -14.954 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.158 2.442 -13.663 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.184 -0.544 -15.404 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.761 0.637 -16.666 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.086 1.187 -15.005 1.00 0.00 H new ATOM 193 N ILE A 12 -3.514 -1.087 -15.717 1.00 0.00 N ATOM 194 CA ILE A 12 -4.014 -2.197 -16.519 1.00 0.00 C ATOM 195 C ILE A 12 -5.516 -2.380 -16.328 1.00 0.00 C ATOM 196 O ILE A 12 -6.214 -2.847 -17.228 1.00 0.00 O ATOM 197 CB ILE A 12 -3.299 -3.514 -16.166 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.563 -3.887 -14.706 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.805 -3.391 -16.425 1.00 0.00 C ATOM 200 CD1 ILE A 12 -4.433 -5.114 -14.544 1.00 0.00 C ATOM 0 H ILE A 12 -3.036 -1.367 -14.861 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.810 -1.951 -17.561 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.694 -4.307 -16.801 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.610 -4.058 -14.205 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.040 -3.045 -14.205 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.313 -4.330 -16.171 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.636 -3.166 -17.478 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.394 -2.589 -15.812 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.578 -5.320 -13.483 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.400 -4.939 -15.016 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.948 -5.969 -15.016 1.00 0.00 H new ATOM 212 N SER A 13 -6.007 -2.008 -15.150 1.00 0.00 N ATOM 213 CA SER A 13 -7.426 -2.133 -14.840 1.00 0.00 C ATOM 214 C SER A 13 -8.205 -0.931 -15.367 1.00 0.00 C ATOM 215 O SER A 13 -9.366 -1.053 -15.760 1.00 0.00 O ATOM 216 CB SER A 13 -7.630 -2.265 -13.329 1.00 0.00 C ATOM 217 OG SER A 13 -9.005 -2.386 -13.009 1.00 0.00 O ATOM 0 H SER A 13 -5.443 -1.618 -14.395 1.00 0.00 H new ATOM 0 HA SER A 13 -7.802 -3.031 -15.330 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.090 -3.137 -12.961 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.211 -1.394 -12.825 1.00 0.00 H new ATOM 0 HG SER A 13 -9.109 -2.470 -12.038 1.00 0.00 H new ATOM 223 N LYS A 14 -7.559 0.229 -15.371 1.00 0.00 N ATOM 224 CA LYS A 14 -8.188 1.455 -15.849 1.00 0.00 C ATOM 225 C LYS A 14 -8.100 1.553 -17.369 1.00 0.00 C ATOM 226 O LYS A 14 -8.919 2.217 -18.004 1.00 0.00 O ATOM 227 CB LYS A 14 -7.525 2.676 -15.209 1.00 0.00 C ATOM 228 CG LYS A 14 -8.166 3.995 -15.608 1.00 0.00 C ATOM 229 CD LYS A 14 -7.204 4.864 -16.401 1.00 0.00 C ATOM 230 CE LYS A 14 -7.910 6.070 -17.003 1.00 0.00 C ATOM 231 NZ LYS A 14 -6.946 7.041 -17.591 1.00 0.00 N ATOM 0 H LYS A 14 -6.599 0.347 -15.048 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.240 1.430 -15.564 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.566 2.575 -14.124 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.471 2.695 -15.487 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.058 3.802 -16.203 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.488 4.529 -14.714 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.396 5.201 -15.751 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.749 4.273 -17.196 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.605 5.737 -17.774 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.501 6.566 -16.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.466 7.848 -17.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.298 7.379 -16.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.399 6.575 -18.343 1.00 0.00 H new ATOM 245 N GLN A 15 -7.104 0.887 -17.944 1.00 0.00 N ATOM 246 CA GLN A 15 -6.912 0.900 -19.390 1.00 0.00 C ATOM 247 C GLN A 15 -7.645 -0.264 -20.047 1.00 0.00 C ATOM 248 O GLN A 15 -8.417 -0.073 -20.988 1.00 0.00 O ATOM 249 CB GLN A 15 -5.421 0.835 -19.727 1.00 0.00 C ATOM 250 CG GLN A 15 -5.126 0.996 -21.210 1.00 0.00 C ATOM 251 CD GLN A 15 -5.393 2.401 -21.710 1.00 0.00 C ATOM 252 OE1 GLN A 15 -4.724 3.354 -21.308 1.00 0.00 O ATOM 253 NE2 GLN A 15 -6.376 2.539 -22.592 1.00 0.00 N ATOM 0 H GLN A 15 -6.418 0.332 -17.432 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.325 1.831 -19.778 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.897 1.615 -19.174 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.021 -0.120 -19.387 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.084 0.740 -21.399 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.735 0.291 -21.776 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.905 1.722 -22.898 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.602 3.462 -22.964 1.00 0.00 H new ATOM 262 N LEU A 16 -7.400 -1.469 -19.546 1.00 0.00 N ATOM 263 CA LEU A 16 -8.038 -2.666 -20.085 1.00 0.00 C ATOM 264 C LEU A 16 -8.122 -3.762 -19.027 1.00 0.00 C ATOM 265 O LEU A 16 -7.200 -4.563 -18.875 1.00 0.00 O ATOM 266 CB LEU A 16 -7.265 -3.175 -21.303 1.00 0.00 C ATOM 267 CG LEU A 16 -5.802 -2.739 -21.400 1.00 0.00 C ATOM 268 CD1 LEU A 16 -5.012 -3.252 -20.206 1.00 0.00 C ATOM 269 CD2 LEU A 16 -5.185 -3.230 -22.701 1.00 0.00 C ATOM 0 H LEU A 16 -6.764 -1.644 -18.768 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.051 -2.402 -20.389 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.299 -4.264 -21.301 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.783 -2.842 -22.202 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.766 -1.650 -21.392 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.974 -2.932 -20.292 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.440 -2.851 -19.287 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.055 -4.341 -20.182 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.144 -2.911 -22.753 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.233 -4.318 -22.739 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.735 -2.813 -23.545 1.00 0.00 H new ATOM 281 N SER A 17 -9.234 -3.791 -18.300 1.00 0.00 N ATOM 282 CA SER A 17 -9.438 -4.788 -17.256 1.00 0.00 C ATOM 283 C SER A 17 -9.048 -6.178 -17.748 1.00 0.00 C ATOM 284 O SER A 17 -9.770 -6.798 -18.529 1.00 0.00 O ATOM 285 CB SER A 17 -10.898 -4.787 -16.799 1.00 0.00 C ATOM 286 OG SER A 17 -11.103 -3.861 -15.746 1.00 0.00 O ATOM 0 H SER A 17 -10.007 -3.136 -18.415 1.00 0.00 H new ATOM 0 HA SER A 17 -8.800 -4.529 -16.411 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.545 -4.536 -17.639 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.179 -5.787 -16.468 1.00 0.00 H new ATOM 0 HG SER A 17 -10.524 -3.082 -15.878 1.00 0.00 H new ATOM 292 N VAL A 18 -7.900 -6.663 -17.284 1.00 0.00 N ATOM 293 CA VAL A 18 -7.413 -7.980 -17.675 1.00 0.00 C ATOM 294 C VAL A 18 -6.929 -8.769 -16.464 1.00 0.00 C ATOM 295 O VAL A 18 -7.046 -8.313 -15.327 1.00 0.00 O ATOM 296 CB VAL A 18 -6.266 -7.874 -18.697 1.00 0.00 C ATOM 297 CG1 VAL A 18 -6.749 -7.206 -19.975 1.00 0.00 C ATOM 298 CG2 VAL A 18 -5.090 -7.115 -18.101 1.00 0.00 C ATOM 0 H VAL A 18 -7.290 -6.163 -16.637 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.251 -8.504 -18.134 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.931 -8.881 -18.946 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.925 -7.140 -20.685 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.557 -7.794 -20.410 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.112 -6.204 -19.747 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.289 -7.050 -18.837 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.409 -6.111 -17.822 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.729 -7.640 -17.217 1.00 0.00 H new ATOM 308 N GLU A 19 -6.383 -9.955 -16.716 1.00 0.00 N ATOM 309 CA GLU A 19 -5.881 -10.807 -15.645 1.00 0.00 C ATOM 310 C GLU A 19 -4.404 -10.532 -15.378 1.00 0.00 C ATOM 311 O GLU A 19 -3.539 -10.914 -16.166 1.00 0.00 O ATOM 312 CB GLU A 19 -6.080 -12.282 -16.001 1.00 0.00 C ATOM 313 CG GLU A 19 -5.516 -12.662 -17.359 1.00 0.00 C ATOM 314 CD GLU A 19 -6.568 -13.237 -18.287 1.00 0.00 C ATOM 315 OE1 GLU A 19 -7.465 -13.954 -17.797 1.00 0.00 O ATOM 316 OE2 GLU A 19 -6.494 -12.970 -19.505 1.00 0.00 O ATOM 0 H GLU A 19 -6.277 -10.347 -17.652 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.445 -10.580 -14.740 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.608 -12.898 -15.236 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.146 -12.511 -15.983 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.070 -11.782 -17.822 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.717 -13.391 -17.225 1.00 0.00 H new ATOM 323 N GLU A 20 -4.124 -9.867 -14.262 1.00 0.00 N ATOM 324 CA GLU A 20 -2.752 -9.539 -13.892 1.00 0.00 C ATOM 325 C GLU A 20 -1.985 -10.793 -13.485 1.00 0.00 C ATOM 326 O GLU A 20 -0.774 -10.749 -13.264 1.00 0.00 O ATOM 327 CB GLU A 20 -2.738 -8.525 -12.746 1.00 0.00 C ATOM 328 CG GLU A 20 -3.595 -8.934 -11.560 1.00 0.00 C ATOM 329 CD GLU A 20 -4.601 -7.867 -11.172 1.00 0.00 C ATOM 330 OE1 GLU A 20 -4.226 -6.943 -10.421 1.00 0.00 O ATOM 331 OE2 GLU A 20 -5.763 -7.958 -11.620 1.00 0.00 O ATOM 0 H GLU A 20 -4.828 -9.545 -13.598 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.263 -9.100 -14.762 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.711 -8.384 -12.410 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.086 -7.562 -13.120 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.124 -9.857 -11.799 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.951 -9.148 -10.707 1.00 0.00 H new ATOM 338 N ASP A 21 -2.697 -11.910 -13.387 1.00 0.00 N ATOM 339 CA ASP A 21 -2.084 -13.178 -13.008 1.00 0.00 C ATOM 340 C ASP A 21 -0.997 -13.575 -14.002 1.00 0.00 C ATOM 341 O ASP A 21 -0.157 -14.427 -13.713 1.00 0.00 O ATOM 342 CB ASP A 21 -3.144 -14.277 -12.926 1.00 0.00 C ATOM 343 CG ASP A 21 -3.206 -14.920 -11.554 1.00 0.00 C ATOM 344 OD1 ASP A 21 -3.289 -14.177 -10.554 1.00 0.00 O ATOM 345 OD2 ASP A 21 -3.171 -16.167 -11.480 1.00 0.00 O ATOM 0 H ASP A 21 -3.700 -11.963 -13.565 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.625 -13.053 -12.027 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.119 -13.856 -13.171 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.929 -15.041 -13.673 1.00 0.00 H new ATOM 350 N LYS A 22 -1.020 -12.953 -15.176 1.00 0.00 N ATOM 351 CA LYS A 22 -0.038 -13.240 -16.214 1.00 0.00 C ATOM 352 C LYS A 22 0.822 -12.014 -16.504 1.00 0.00 C ATOM 353 O LYS A 22 1.727 -12.062 -17.338 1.00 0.00 O ATOM 354 CB LYS A 22 -0.738 -13.699 -17.495 1.00 0.00 C ATOM 355 CG LYS A 22 -1.982 -12.894 -17.830 1.00 0.00 C ATOM 356 CD LYS A 22 -1.629 -11.495 -18.305 1.00 0.00 C ATOM 357 CE LYS A 22 -2.580 -11.020 -19.394 1.00 0.00 C ATOM 358 NZ LYS A 22 -2.519 -11.889 -20.601 1.00 0.00 N ATOM 0 H LYS A 22 -1.709 -12.246 -15.432 1.00 0.00 H new ATOM 0 HA LYS A 22 0.610 -14.040 -15.854 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.037 -13.631 -18.327 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.011 -14.749 -17.393 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.552 -13.409 -18.603 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.623 -12.830 -16.951 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.664 -10.804 -17.463 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.607 -11.485 -18.683 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.599 -11.008 -19.006 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.332 -9.995 -19.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.262 -11.315 -21.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.804 -12.631 -20.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.448 -12.329 -20.759 1.00 0.00 H new ATOM 372 N ILE A 23 0.534 -10.918 -15.810 1.00 0.00 N ATOM 373 CA ILE A 23 1.283 -9.681 -15.992 1.00 0.00 C ATOM 374 C ILE A 23 2.594 -9.712 -15.213 1.00 0.00 C ATOM 375 O ILE A 23 3.645 -9.338 -15.734 1.00 0.00 O ATOM 376 CB ILE A 23 0.463 -8.455 -15.546 1.00 0.00 C ATOM 377 CG1 ILE A 23 -0.177 -7.774 -16.757 1.00 0.00 C ATOM 378 CG2 ILE A 23 1.345 -7.476 -14.786 1.00 0.00 C ATOM 379 CD1 ILE A 23 0.819 -7.066 -17.649 1.00 0.00 C ATOM 0 H ILE A 23 -0.212 -10.862 -15.117 1.00 0.00 H new ATOM 0 HA ILE A 23 1.498 -9.596 -17.057 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.332 -8.791 -14.880 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.711 -8.521 -17.344 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.917 -7.054 -16.409 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.751 -6.615 -14.478 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.758 -7.967 -13.905 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.159 -7.143 -15.430 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.295 -6.606 -18.487 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.336 -6.295 -17.077 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.545 -7.786 -18.026 1.00 0.00 H new ATOM 391 N GLN A 24 2.524 -10.162 -13.965 1.00 0.00 N ATOM 392 CA GLN A 24 3.706 -10.243 -13.115 1.00 0.00 C ATOM 393 C GLN A 24 4.406 -11.587 -13.284 1.00 0.00 C ATOM 394 O GLN A 24 4.503 -12.371 -12.340 1.00 0.00 O ATOM 395 CB GLN A 24 3.321 -10.036 -11.649 1.00 0.00 C ATOM 396 CG GLN A 24 2.206 -10.956 -11.177 1.00 0.00 C ATOM 397 CD GLN A 24 0.975 -10.196 -10.724 1.00 0.00 C ATOM 398 OE1 GLN A 24 0.382 -10.511 -9.691 1.00 0.00 O ATOM 399 NE2 GLN A 24 0.584 -9.188 -11.495 1.00 0.00 N ATOM 0 H GLN A 24 1.662 -10.476 -13.520 1.00 0.00 H new ATOM 0 HA GLN A 24 4.395 -9.454 -13.417 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.201 -10.195 -11.025 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.012 -9.001 -11.506 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.933 -11.634 -11.986 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.571 -11.571 -10.355 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.105 -8.962 -12.342 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.237 -8.640 -11.240 1.00 0.00 H new ATOM 408 N MET A 25 4.893 -11.847 -14.493 1.00 0.00 N ATOM 409 CA MET A 25 5.586 -13.097 -14.785 1.00 0.00 C ATOM 410 C MET A 25 7.086 -12.955 -14.548 1.00 0.00 C ATOM 411 O MET A 25 7.847 -13.901 -14.747 1.00 0.00 O ATOM 412 CB MET A 25 5.325 -13.524 -16.231 1.00 0.00 C ATOM 413 CG MET A 25 3.997 -14.238 -16.422 1.00 0.00 C ATOM 414 SD MET A 25 4.181 -16.029 -16.526 1.00 0.00 S ATOM 415 CE MET A 25 2.970 -16.564 -15.319 1.00 0.00 C ATOM 0 H MET A 25 4.821 -11.209 -15.286 1.00 0.00 H new ATOM 0 HA MET A 25 5.200 -13.863 -14.112 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.350 -12.643 -16.872 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.132 -14.180 -16.559 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.334 -13.992 -15.592 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.519 -13.872 -17.331 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.964 -17.653 -15.267 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.226 -16.156 -14.341 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.982 -16.210 -15.613 1.00 0.00 H new ATOM 425 N ASN A 26 7.504 -11.767 -14.122 1.00 0.00 N ATOM 426 CA ASN A 26 8.914 -11.502 -13.859 1.00 0.00 C ATOM 427 C ASN A 26 9.747 -11.682 -15.124 1.00 0.00 C ATOM 428 O ASN A 26 10.966 -11.838 -15.060 1.00 0.00 O ATOM 429 CB ASN A 26 9.431 -12.430 -12.757 1.00 0.00 C ATOM 430 CG ASN A 26 10.087 -11.669 -11.621 1.00 0.00 C ATOM 431 OD1 ASN A 26 11.244 -11.259 -11.720 1.00 0.00 O ATOM 432 ND2 ASN A 26 9.349 -11.477 -10.534 1.00 0.00 N ATOM 0 H ASN A 26 6.887 -10.973 -13.952 1.00 0.00 H new ATOM 0 HA ASN A 26 9.009 -10.468 -13.528 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.603 -13.020 -12.365 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.149 -13.131 -13.183 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.737 -10.972 -9.737 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.394 -11.835 -10.496 1.00 0.00 H new ATOM 439 N SER A 27 9.080 -11.660 -16.273 1.00 0.00 N ATOM 440 CA SER A 27 9.758 -11.824 -17.554 1.00 0.00 C ATOM 441 C SER A 27 9.545 -10.601 -18.442 1.00 0.00 C ATOM 442 O SER A 27 10.442 -9.776 -18.605 1.00 0.00 O ATOM 443 CB SER A 27 9.251 -13.080 -18.266 1.00 0.00 C ATOM 444 OG SER A 27 9.924 -14.236 -17.799 1.00 0.00 O ATOM 0 H SER A 27 8.071 -11.530 -16.344 1.00 0.00 H new ATOM 0 HA SER A 27 10.826 -11.930 -17.361 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.179 -13.188 -18.101 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.400 -12.978 -19.341 1.00 0.00 H new ATOM 0 HG SER A 27 9.581 -15.026 -18.268 1.00 0.00 H new ATOM 450 N ASN A 28 8.350 -10.494 -19.013 1.00 0.00 N ATOM 451 CA ASN A 28 8.017 -9.373 -19.885 1.00 0.00 C ATOM 452 C ASN A 28 6.543 -9.002 -19.757 1.00 0.00 C ATOM 453 O ASN A 28 5.711 -9.837 -19.401 1.00 0.00 O ATOM 454 CB ASN A 28 8.344 -9.718 -21.340 1.00 0.00 C ATOM 455 CG ASN A 28 9.132 -11.007 -21.466 1.00 0.00 C ATOM 456 OD1 ASN A 28 8.574 -12.061 -21.774 1.00 0.00 O ATOM 457 ND2 ASN A 28 10.436 -10.929 -21.226 1.00 0.00 N ATOM 0 H ASN A 28 7.596 -11.169 -18.888 1.00 0.00 H new ATOM 0 HA ASN A 28 8.616 -8.516 -19.578 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.417 -9.805 -21.907 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.914 -8.902 -21.785 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.018 -11.764 -21.294 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.856 -10.034 -20.974 1.00 0.00 H new ATOM 464 N PHE A 29 6.227 -7.746 -20.051 1.00 0.00 N ATOM 465 CA PHE A 29 4.853 -7.264 -19.969 1.00 0.00 C ATOM 466 C PHE A 29 4.155 -7.376 -21.321 1.00 0.00 C ATOM 467 O PHE A 29 2.955 -7.646 -21.394 1.00 0.00 O ATOM 468 CB PHE A 29 4.827 -5.811 -19.488 1.00 0.00 C ATOM 469 CG PHE A 29 4.532 -5.670 -18.022 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.453 -6.086 -17.073 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.335 -5.121 -17.593 1.00 0.00 C ATOM 472 CE1 PHE A 29 5.184 -5.957 -15.724 1.00 0.00 C ATOM 473 CE2 PHE A 29 3.060 -4.990 -16.244 1.00 0.00 C ATOM 474 CZ PHE A 29 3.986 -5.408 -15.309 1.00 0.00 C ATOM 0 H PHE A 29 6.904 -7.043 -20.348 1.00 0.00 H new ATOM 0 HA PHE A 29 4.319 -7.887 -19.251 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.790 -5.348 -19.703 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.076 -5.262 -20.056 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.391 -6.516 -17.392 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.608 -4.791 -18.320 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.910 -6.285 -14.994 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.122 -4.561 -15.922 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.774 -5.306 -14.255 1.00 0.00 H new ATOM 484 N THR A 30 4.914 -7.166 -22.391 1.00 0.00 N ATOM 485 CA THR A 30 4.370 -7.242 -23.741 1.00 0.00 C ATOM 486 C THR A 30 5.080 -8.313 -24.561 1.00 0.00 C ATOM 487 O THR A 30 4.827 -8.465 -25.757 1.00 0.00 O ATOM 488 CB THR A 30 4.488 -5.891 -24.471 1.00 0.00 C ATOM 489 OG1 THR A 30 3.719 -5.917 -25.678 1.00 0.00 O ATOM 490 CG2 THR A 30 5.941 -5.576 -24.796 1.00 0.00 C ATOM 0 H THR A 30 5.908 -6.942 -22.349 1.00 0.00 H new ATOM 0 HA THR A 30 3.316 -7.503 -23.642 1.00 0.00 H new ATOM 0 HB THR A 30 4.103 -5.113 -23.812 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.893 -6.753 -26.159 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.999 -4.617 -25.311 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.518 -5.527 -23.873 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.348 -6.358 -25.437 1.00 0.00 H new ATOM 498 N LYS A 31 5.971 -9.055 -23.912 1.00 0.00 N ATOM 499 CA LYS A 31 6.717 -10.115 -24.580 1.00 0.00 C ATOM 500 C LYS A 31 6.456 -11.464 -23.918 1.00 0.00 C ATOM 501 O LYS A 31 6.827 -12.510 -24.452 1.00 0.00 O ATOM 502 CB LYS A 31 8.216 -9.804 -24.556 1.00 0.00 C ATOM 503 CG LYS A 31 8.530 -8.347 -24.268 1.00 0.00 C ATOM 504 CD LYS A 31 10.028 -8.104 -24.189 1.00 0.00 C ATOM 505 CE LYS A 31 10.362 -6.628 -24.335 1.00 0.00 C ATOM 506 NZ LYS A 31 11.249 -6.373 -25.505 1.00 0.00 N ATOM 0 H LYS A 31 6.194 -8.942 -22.923 1.00 0.00 H new ATOM 0 HA LYS A 31 6.379 -10.167 -25.615 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.696 -10.426 -23.801 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.651 -10.078 -25.517 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.100 -7.720 -25.049 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.063 -8.052 -23.328 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.407 -8.471 -23.235 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.531 -8.671 -24.972 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.441 -6.056 -24.446 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.849 -6.274 -23.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.454 -5.355 -25.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.139 -6.898 -25.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.774 -6.687 -26.375 1.00 0.00 H new ATOM 520 N ASP A 32 5.816 -11.434 -22.755 1.00 0.00 N ATOM 521 CA ASP A 32 5.503 -12.655 -22.022 1.00 0.00 C ATOM 522 C ASP A 32 4.038 -13.040 -22.207 1.00 0.00 C ATOM 523 O ASP A 32 3.725 -14.037 -22.858 1.00 0.00 O ATOM 524 CB ASP A 32 5.812 -12.476 -20.535 1.00 0.00 C ATOM 525 CG ASP A 32 5.991 -13.799 -19.817 1.00 0.00 C ATOM 526 OD1 ASP A 32 7.092 -14.381 -19.910 1.00 0.00 O ATOM 527 OD2 ASP A 32 5.029 -14.253 -19.162 1.00 0.00 O ATOM 0 H ASP A 32 5.503 -10.577 -22.299 1.00 0.00 H new ATOM 0 HA ASP A 32 6.124 -13.457 -22.420 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.718 -11.881 -20.424 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.004 -11.917 -20.064 1.00 0.00 H new ATOM 532 N LEU A 33 3.145 -12.244 -21.630 1.00 0.00 N ATOM 533 CA LEU A 33 1.713 -12.501 -21.730 1.00 0.00 C ATOM 534 C LEU A 33 1.232 -12.351 -23.170 1.00 0.00 C ATOM 535 O LEU A 33 0.249 -12.971 -23.574 1.00 0.00 O ATOM 536 CB LEU A 33 0.938 -11.547 -20.819 1.00 0.00 C ATOM 537 CG LEU A 33 1.403 -10.090 -20.823 1.00 0.00 C ATOM 538 CD1 LEU A 33 0.209 -9.149 -20.866 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.268 -9.803 -19.605 1.00 0.00 C ATOM 0 H LEU A 33 3.387 -11.415 -21.088 1.00 0.00 H new ATOM 0 HA LEU A 33 1.530 -13.527 -21.410 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.113 -11.573 -21.108 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.997 -11.924 -19.798 1.00 0.00 H new ATOM 0 HG LEU A 33 2.003 -9.922 -21.717 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.559 -8.117 -20.868 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.371 -9.338 -21.770 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.419 -9.317 -19.991 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.590 -8.762 -19.624 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.692 -9.988 -18.698 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.143 -10.453 -19.618 1.00 0.00 H new ATOM 551 N GLY A 34 1.934 -11.526 -23.940 1.00 0.00 N ATOM 552 CA GLY A 34 1.565 -11.311 -25.327 1.00 0.00 C ATOM 553 C GLY A 34 0.239 -10.590 -25.469 1.00 0.00 C ATOM 554 O GLY A 34 -0.562 -10.917 -26.344 1.00 0.00 O ATOM 0 H GLY A 34 2.752 -11.002 -23.628 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.345 -10.732 -25.822 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.509 -12.272 -25.838 1.00 0.00 H new ATOM 558 N ALA A 35 0.006 -9.607 -24.605 1.00 0.00 N ATOM 559 CA ALA A 35 -1.232 -8.838 -24.639 1.00 0.00 C ATOM 560 C ALA A 35 -1.309 -7.977 -25.895 1.00 0.00 C ATOM 561 O ALA A 35 -2.036 -8.296 -26.835 1.00 0.00 O ATOM 562 CB ALA A 35 -1.349 -7.972 -23.394 1.00 0.00 C ATOM 0 H ALA A 35 0.658 -9.325 -23.873 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.066 -9.539 -24.660 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.278 -7.403 -23.432 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.349 -8.607 -22.508 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.504 -7.285 -23.348 1.00 0.00 H new ATOM 568 N ASP A 36 -0.555 -6.883 -25.903 1.00 0.00 N ATOM 569 CA ASP A 36 -0.537 -5.975 -27.044 1.00 0.00 C ATOM 570 C ASP A 36 0.429 -4.819 -26.804 1.00 0.00 C ATOM 571 O ASP A 36 0.403 -4.137 -25.781 1.00 0.00 O ATOM 572 CB ASP A 36 -1.942 -5.434 -27.314 1.00 0.00 C ATOM 573 CG ASP A 36 -2.447 -5.799 -28.697 1.00 0.00 C ATOM 574 OD1 ASP A 36 -2.896 -6.950 -28.880 1.00 0.00 O ATOM 575 OD2 ASP A 36 -2.394 -4.933 -29.595 1.00 0.00 O ATOM 0 H ASP A 36 0.052 -6.604 -25.132 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.197 -6.534 -27.916 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.629 -5.826 -26.564 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.937 -4.349 -27.207 1.00 0.00 H new ATOM 580 N SER A 37 1.322 -4.579 -27.779 1.00 0.00 N ATOM 581 CA SER A 37 2.361 -3.525 -27.773 1.00 0.00 C ATOM 582 C SER A 37 1.795 -2.136 -27.430 1.00 0.00 C ATOM 583 O SER A 37 2.278 -1.443 -26.533 1.00 0.00 O ATOM 584 CB SER A 37 3.028 -3.542 -29.158 1.00 0.00 C ATOM 585 OG SER A 37 2.109 -3.144 -30.176 1.00 0.00 O ATOM 0 H SER A 37 1.344 -5.137 -28.633 1.00 0.00 H new ATOM 0 HA SER A 37 3.091 -3.731 -26.990 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.889 -2.873 -29.159 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.402 -4.543 -29.373 1.00 0.00 H new ATOM 0 HG SER A 37 2.558 -3.161 -31.047 1.00 0.00 H new ATOM 590 N LEU A 38 0.761 -1.746 -28.167 1.00 0.00 N ATOM 591 CA LEU A 38 0.118 -0.453 -27.961 1.00 0.00 C ATOM 592 C LEU A 38 -0.596 -0.409 -26.613 1.00 0.00 C ATOM 593 O LEU A 38 -0.549 0.599 -25.908 1.00 0.00 O ATOM 594 CB LEU A 38 -0.877 -0.170 -29.088 1.00 0.00 C ATOM 595 CG LEU A 38 -0.449 -0.612 -30.487 1.00 0.00 C ATOM 596 CD1 LEU A 38 -1.044 -1.971 -30.824 1.00 0.00 C ATOM 597 CD2 LEU A 38 -0.861 0.424 -31.523 1.00 0.00 C ATOM 0 H LEU A 38 0.350 -2.307 -28.913 1.00 0.00 H new ATOM 0 HA LEU A 38 0.892 0.315 -27.967 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.819 -0.662 -28.846 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.074 0.902 -29.112 1.00 0.00 H new ATOM 0 HG LEU A 38 0.637 -0.700 -30.502 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.728 -2.269 -31.824 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.699 -2.709 -30.100 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.132 -1.910 -30.790 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.548 0.093 -32.513 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.944 0.545 -31.506 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.386 1.378 -31.293 1.00 0.00 H new ATOM 609 N ASP A 39 -1.254 -1.508 -26.262 1.00 0.00 N ATOM 610 CA ASP A 39 -1.975 -1.596 -24.998 1.00 0.00 C ATOM 611 C ASP A 39 -1.024 -1.430 -23.817 1.00 0.00 C ATOM 612 O ASP A 39 -1.226 -0.569 -22.959 1.00 0.00 O ATOM 613 CB ASP A 39 -2.705 -2.936 -24.895 1.00 0.00 C ATOM 614 CG ASP A 39 -4.050 -2.918 -25.595 1.00 0.00 C ATOM 615 OD1 ASP A 39 -4.404 -1.869 -26.174 1.00 0.00 O ATOM 616 OD2 ASP A 39 -4.749 -3.952 -25.565 1.00 0.00 O ATOM 0 H ASP A 39 -1.303 -2.350 -26.835 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.707 -0.789 -24.969 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.083 -3.719 -25.329 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.849 -3.188 -23.844 1.00 0.00 H new ATOM 621 N LEU A 40 0.014 -2.259 -23.778 1.00 0.00 N ATOM 622 CA LEU A 40 0.997 -2.205 -22.702 1.00 0.00 C ATOM 623 C LEU A 40 1.622 -0.817 -22.605 1.00 0.00 C ATOM 624 O LEU A 40 1.904 -0.327 -21.511 1.00 0.00 O ATOM 625 CB LEU A 40 2.087 -3.253 -22.927 1.00 0.00 C ATOM 626 CG LEU A 40 1.877 -4.600 -22.235 1.00 0.00 C ATOM 627 CD1 LEU A 40 1.729 -4.411 -20.733 1.00 0.00 C ATOM 628 CD2 LEU A 40 0.658 -5.310 -22.807 1.00 0.00 C ATOM 0 H LEU A 40 0.196 -2.977 -24.480 1.00 0.00 H new ATOM 0 HA LEU A 40 0.485 -2.419 -21.764 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.178 -3.428 -23.999 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.037 -2.838 -22.590 1.00 0.00 H new ATOM 0 HG LEU A 40 2.754 -5.221 -22.418 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.580 -5.380 -20.257 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.630 -3.946 -20.334 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.870 -3.771 -20.530 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.524 -6.267 -22.302 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.227 -4.693 -22.655 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.803 -5.480 -23.874 1.00 0.00 H new ATOM 640 N VAL A 41 1.834 -0.187 -23.756 1.00 0.00 N ATOM 641 CA VAL A 41 2.422 1.146 -23.801 1.00 0.00 C ATOM 642 C VAL A 41 1.458 2.191 -23.252 1.00 0.00 C ATOM 643 O VAL A 41 1.878 3.227 -22.736 1.00 0.00 O ATOM 644 CB VAL A 41 2.821 1.535 -25.237 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.156 3.017 -25.315 1.00 0.00 C ATOM 646 CG2 VAL A 41 3.994 0.690 -25.711 1.00 0.00 C ATOM 0 H VAL A 41 1.607 -0.579 -24.670 1.00 0.00 H new ATOM 0 HA VAL A 41 3.316 1.119 -23.178 1.00 0.00 H new ATOM 0 HB VAL A 41 1.974 1.343 -25.896 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.436 3.274 -26.337 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.286 3.603 -25.019 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.987 3.238 -24.645 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.263 0.978 -26.727 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.847 0.849 -25.051 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.714 -0.363 -25.694 1.00 0.00 H new ATOM 656 N GLU A 42 0.163 1.913 -23.367 1.00 0.00 N ATOM 657 CA GLU A 42 -0.861 2.830 -22.882 1.00 0.00 C ATOM 658 C GLU A 42 -0.875 2.873 -21.357 1.00 0.00 C ATOM 659 O GLU A 42 -0.606 3.912 -20.751 1.00 0.00 O ATOM 660 CB GLU A 42 -2.238 2.414 -23.404 1.00 0.00 C ATOM 661 CG GLU A 42 -2.710 3.231 -24.595 1.00 0.00 C ATOM 662 CD GLU A 42 -3.808 4.212 -24.232 1.00 0.00 C ATOM 663 OE1 GLU A 42 -3.593 5.032 -23.315 1.00 0.00 O ATOM 664 OE2 GLU A 42 -4.883 4.158 -24.865 1.00 0.00 O ATOM 0 H GLU A 42 -0.201 1.060 -23.792 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.625 3.827 -23.254 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.208 1.361 -23.685 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.966 2.508 -22.598 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.865 3.777 -25.014 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.072 2.558 -25.372 1.00 0.00 H new ATOM 671 N LEU A 43 -1.191 1.739 -20.742 1.00 0.00 N ATOM 672 CA LEU A 43 -1.240 1.646 -19.287 1.00 0.00 C ATOM 673 C LEU A 43 0.049 2.170 -18.663 1.00 0.00 C ATOM 674 O LEU A 43 0.018 2.901 -17.672 1.00 0.00 O ATOM 675 CB LEU A 43 -1.476 0.197 -18.856 1.00 0.00 C ATOM 676 CG LEU A 43 -0.495 -0.836 -19.413 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.535 -1.215 -18.361 1.00 0.00 C ATOM 678 CD2 LEU A 43 -1.241 -2.070 -19.901 1.00 0.00 C ATOM 0 H LEU A 43 -1.417 0.871 -21.228 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.068 2.263 -18.937 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.441 0.152 -17.767 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.484 -0.091 -19.155 1.00 0.00 H new ATOM 0 HG LEU A 43 0.028 -0.393 -20.261 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.224 -1.951 -18.775 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.090 -0.327 -18.059 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.030 -1.639 -17.493 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.528 -2.795 -20.294 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.790 -2.515 -19.071 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.940 -1.785 -20.688 1.00 0.00 H new ATOM 690 N ILE A 44 1.180 1.794 -19.250 1.00 0.00 N ATOM 691 CA ILE A 44 2.479 2.230 -18.754 1.00 0.00 C ATOM 692 C ILE A 44 2.590 3.751 -18.764 1.00 0.00 C ATOM 693 O ILE A 44 2.993 4.360 -17.774 1.00 0.00 O ATOM 694 CB ILE A 44 3.629 1.638 -19.590 1.00 0.00 C ATOM 695 CG1 ILE A 44 3.746 0.133 -19.342 1.00 0.00 C ATOM 696 CG2 ILE A 44 4.939 2.339 -19.262 1.00 0.00 C ATOM 697 CD1 ILE A 44 4.621 -0.580 -20.350 1.00 0.00 C ATOM 0 H ILE A 44 1.223 1.188 -20.070 1.00 0.00 H new ATOM 0 HA ILE A 44 2.562 1.869 -17.729 1.00 0.00 H new ATOM 0 HB ILE A 44 3.410 1.797 -20.646 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.149 -0.032 -18.343 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.750 -0.309 -19.361 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.742 1.909 -19.861 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.849 3.402 -19.486 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.166 2.209 -18.204 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.658 -1.643 -20.112 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.208 -0.446 -21.350 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.628 -0.165 -20.315 1.00 0.00 H new ATOM 709 N MET A 45 2.226 4.358 -19.889 1.00 0.00 N ATOM 710 CA MET A 45 2.282 5.809 -20.027 1.00 0.00 C ATOM 711 C MET A 45 1.523 6.492 -18.893 1.00 0.00 C ATOM 712 O MET A 45 1.895 7.578 -18.451 1.00 0.00 O ATOM 713 CB MET A 45 1.701 6.237 -21.376 1.00 0.00 C ATOM 714 CG MET A 45 0.299 6.816 -21.277 1.00 0.00 C ATOM 715 SD MET A 45 -0.462 7.070 -22.892 1.00 0.00 S ATOM 716 CE MET A 45 0.800 8.039 -23.713 1.00 0.00 C ATOM 0 H MET A 45 1.889 3.868 -20.718 1.00 0.00 H new ATOM 0 HA MET A 45 3.327 6.114 -19.977 1.00 0.00 H new ATOM 0 HB2 MET A 45 2.360 6.978 -21.828 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.684 5.376 -22.045 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.326 6.146 -20.686 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.339 7.766 -20.745 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.376 8.512 -24.599 1.00 0.00 H new ATOM 0 HE2 MET A 45 1.169 8.806 -23.033 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.624 7.389 -24.008 1.00 0.00 H new ATOM 726 N ALA A 46 0.457 5.848 -18.428 1.00 0.00 N ATOM 727 CA ALA A 46 -0.352 6.392 -17.346 1.00 0.00 C ATOM 728 C ALA A 46 0.363 6.261 -16.005 1.00 0.00 C ATOM 729 O ALA A 46 0.266 7.141 -15.149 1.00 0.00 O ATOM 730 CB ALA A 46 -1.704 5.695 -17.295 1.00 0.00 C ATOM 0 H ALA A 46 0.134 4.949 -18.785 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.509 7.453 -17.542 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.298 6.112 -16.482 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.227 5.845 -18.240 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.557 4.628 -17.127 1.00 0.00 H new ATOM 736 N LEU A 47 1.082 5.158 -15.829 1.00 0.00 N ATOM 737 CA LEU A 47 1.814 4.911 -14.592 1.00 0.00 C ATOM 738 C LEU A 47 2.801 6.039 -14.309 1.00 0.00 C ATOM 739 O LEU A 47 2.788 6.632 -13.231 1.00 0.00 O ATOM 740 CB LEU A 47 2.557 3.576 -14.673 1.00 0.00 C ATOM 741 CG LEU A 47 2.753 2.836 -13.350 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.601 1.590 -13.556 1.00 0.00 C ATOM 743 CD2 LEU A 47 3.389 3.752 -12.315 1.00 0.00 C ATOM 0 H LEU A 47 1.174 4.420 -16.527 1.00 0.00 H new ATOM 0 HA LEU A 47 1.094 4.870 -13.775 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.014 2.922 -15.355 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.537 3.755 -15.115 1.00 0.00 H new ATOM 0 HG LEU A 47 1.775 2.528 -12.980 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.730 1.076 -12.603 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.105 0.925 -14.263 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.577 1.875 -13.950 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.521 3.208 -11.380 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.359 4.092 -12.677 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.743 4.614 -12.146 1.00 0.00 H new ATOM 755 N GLU A 48 3.655 6.330 -15.286 1.00 0.00 N ATOM 756 CA GLU A 48 4.648 7.388 -15.142 1.00 0.00 C ATOM 757 C GLU A 48 3.985 8.762 -15.158 1.00 0.00 C ATOM 758 O GLU A 48 4.296 9.623 -14.335 1.00 0.00 O ATOM 759 CB GLU A 48 5.688 7.298 -16.260 1.00 0.00 C ATOM 760 CG GLU A 48 6.412 5.963 -16.312 1.00 0.00 C ATOM 761 CD GLU A 48 5.655 4.919 -17.108 1.00 0.00 C ATOM 762 OE1 GLU A 48 5.407 5.152 -18.309 1.00 0.00 O ATOM 763 OE2 GLU A 48 5.311 3.867 -16.529 1.00 0.00 O ATOM 0 H GLU A 48 3.679 5.848 -16.185 1.00 0.00 H new ATOM 0 HA GLU A 48 5.146 7.255 -14.182 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.196 7.473 -17.217 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.421 8.094 -16.128 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.398 6.106 -16.753 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.567 5.598 -15.297 1.00 0.00 H new ATOM 770 N GLU A 49 3.069 8.960 -16.102 1.00 0.00 N ATOM 771 CA GLU A 49 2.364 10.230 -16.226 1.00 0.00 C ATOM 772 C GLU A 49 1.804 10.676 -14.878 1.00 0.00 C ATOM 773 O GLU A 49 1.725 11.871 -14.591 1.00 0.00 O ATOM 774 CB GLU A 49 1.230 10.111 -17.247 1.00 0.00 C ATOM 775 CG GLU A 49 0.426 11.389 -17.416 1.00 0.00 C ATOM 776 CD GLU A 49 -1.063 11.170 -17.232 1.00 0.00 C ATOM 777 OE1 GLU A 49 -1.591 10.182 -17.784 1.00 0.00 O ATOM 778 OE2 GLU A 49 -1.701 11.988 -16.536 1.00 0.00 O ATOM 0 H GLU A 49 2.799 8.258 -16.791 1.00 0.00 H new ATOM 0 HA GLU A 49 3.077 10.980 -16.570 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.650 9.826 -18.212 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.560 9.308 -16.941 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.772 12.130 -16.695 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.609 11.800 -18.409 1.00 0.00 H new ATOM 785 N LYS A 50 1.418 9.708 -14.055 1.00 0.00 N ATOM 786 CA LYS A 50 0.866 9.998 -12.737 1.00 0.00 C ATOM 787 C LYS A 50 1.975 10.099 -11.694 1.00 0.00 C ATOM 788 O LYS A 50 1.861 10.849 -10.724 1.00 0.00 O ATOM 789 CB LYS A 50 -0.134 8.914 -12.330 1.00 0.00 C ATOM 790 CG LYS A 50 -0.580 9.010 -10.881 1.00 0.00 C ATOM 791 CD LYS A 50 -1.283 10.328 -10.601 1.00 0.00 C ATOM 792 CE LYS A 50 -2.166 10.236 -9.365 1.00 0.00 C ATOM 793 NZ LYS A 50 -3.482 10.901 -9.574 1.00 0.00 N ATOM 0 H LYS A 50 1.477 8.714 -14.277 1.00 0.00 H new ATOM 0 HA LYS A 50 0.351 10.957 -12.789 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.010 8.979 -12.976 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.315 7.935 -12.499 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.251 8.182 -10.650 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.285 8.911 -10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.542 11.115 -10.462 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.889 10.609 -11.462 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.325 9.188 -9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.656 10.697 -8.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.055 10.817 -8.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.332 11.906 -9.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.980 10.445 -10.365 1.00 0.00 H new ATOM 807 N PHE A 51 3.046 9.341 -11.900 1.00 0.00 N ATOM 808 CA PHE A 51 4.176 9.346 -10.978 1.00 0.00 C ATOM 809 C PHE A 51 4.986 10.631 -11.117 1.00 0.00 C ATOM 810 O PHE A 51 5.875 10.907 -10.313 1.00 0.00 O ATOM 811 CB PHE A 51 5.074 8.133 -11.231 1.00 0.00 C ATOM 812 CG PHE A 51 4.920 7.049 -10.203 1.00 0.00 C ATOM 813 CD1 PHE A 51 3.674 6.739 -9.684 1.00 0.00 C ATOM 814 CD2 PHE A 51 6.023 6.339 -9.755 1.00 0.00 C ATOM 815 CE1 PHE A 51 3.529 5.741 -8.738 1.00 0.00 C ATOM 816 CE2 PHE A 51 5.885 5.340 -8.810 1.00 0.00 C ATOM 817 CZ PHE A 51 4.637 5.042 -8.300 1.00 0.00 C ATOM 0 H PHE A 51 3.156 8.715 -12.698 1.00 0.00 H new ATOM 0 HA PHE A 51 3.784 9.293 -9.962 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.849 7.723 -12.216 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.114 8.459 -11.251 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.805 7.283 -10.022 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.002 6.569 -10.149 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.551 5.508 -8.342 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.752 4.793 -8.471 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.527 4.263 -7.560 1.00 0.00 H new ATOM 827 N ASN A 52 4.672 11.413 -12.146 1.00 0.00 N ATOM 828 CA ASN A 52 5.372 12.668 -12.392 1.00 0.00 C ATOM 829 C ASN A 52 6.874 12.438 -12.523 1.00 0.00 C ATOM 830 O ASN A 52 7.665 12.977 -11.749 1.00 0.00 O ATOM 831 CB ASN A 52 5.093 13.662 -11.263 1.00 0.00 C ATOM 832 CG ASN A 52 5.758 15.004 -11.496 1.00 0.00 C ATOM 833 OD1 ASN A 52 5.861 15.470 -12.631 1.00 0.00 O ATOM 834 ND2 ASN A 52 6.214 15.634 -10.419 1.00 0.00 N ATOM 0 H ASN A 52 3.938 11.199 -12.822 1.00 0.00 H new ATOM 0 HA ASN A 52 5.003 13.082 -13.331 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.017 13.805 -11.166 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.445 13.244 -10.320 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.671 16.541 -10.514 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.107 15.211 -9.497 1.00 0.00 H new ATOM 841 N VAL A 53 7.261 11.634 -13.508 1.00 0.00 N ATOM 842 CA VAL A 53 8.668 11.333 -13.742 1.00 0.00 C ATOM 843 C VAL A 53 9.126 11.865 -15.095 1.00 0.00 C ATOM 844 O VAL A 53 8.429 12.655 -15.733 1.00 0.00 O ATOM 845 CB VAL A 53 8.935 9.817 -13.682 1.00 0.00 C ATOM 846 CG1 VAL A 53 10.148 9.523 -12.812 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.708 9.080 -13.167 1.00 0.00 C ATOM 0 H VAL A 53 6.619 11.179 -14.157 1.00 0.00 H new ATOM 0 HA VAL A 53 9.233 11.826 -12.951 1.00 0.00 H new ATOM 0 HB VAL A 53 9.146 9.462 -14.691 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.322 8.447 -12.781 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.024 10.020 -13.229 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.969 9.891 -11.802 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.914 8.010 -13.131 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.463 9.436 -12.166 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.866 9.265 -13.834 1.00 0.00 H new ATOM 857 N THR A 54 10.305 11.428 -15.529 1.00 0.00 N ATOM 858 CA THR A 54 10.858 11.861 -16.806 1.00 0.00 C ATOM 859 C THR A 54 11.057 10.679 -17.747 1.00 0.00 C ATOM 860 O THR A 54 11.879 10.734 -18.662 1.00 0.00 O ATOM 861 CB THR A 54 12.204 12.586 -16.618 1.00 0.00 C ATOM 862 OG1 THR A 54 12.609 13.193 -17.851 1.00 0.00 O ATOM 863 CG2 THR A 54 13.278 11.619 -16.146 1.00 0.00 C ATOM 0 H THR A 54 10.895 10.774 -15.014 1.00 0.00 H new ATOM 0 HA THR A 54 10.139 12.554 -17.244 1.00 0.00 H new ATOM 0 HB THR A 54 12.074 13.357 -15.859 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.501 12.550 -18.583 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.219 12.154 -16.020 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.980 11.181 -15.194 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.406 10.828 -16.885 1.00 0.00 H new ATOM 871 N ILE A 55 10.300 9.611 -17.518 1.00 0.00 N ATOM 872 CA ILE A 55 10.393 8.417 -18.348 1.00 0.00 C ATOM 873 C ILE A 55 9.553 8.559 -19.613 1.00 0.00 C ATOM 874 O ILE A 55 8.715 9.454 -19.716 1.00 0.00 O ATOM 875 CB ILE A 55 9.937 7.161 -17.581 1.00 0.00 C ATOM 876 CG1 ILE A 55 10.340 7.262 -16.109 1.00 0.00 C ATOM 877 CG2 ILE A 55 10.527 5.910 -18.214 1.00 0.00 C ATOM 878 CD1 ILE A 55 9.200 6.998 -15.150 1.00 0.00 C ATOM 0 H ILE A 55 9.616 9.549 -16.764 1.00 0.00 H new ATOM 0 HA ILE A 55 11.442 8.305 -18.622 1.00 0.00 H new ATOM 0 HB ILE A 55 8.851 7.094 -17.637 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.142 6.551 -15.911 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.741 8.257 -15.918 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.196 5.031 -17.661 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.194 5.834 -19.249 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.615 5.967 -18.186 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.559 7.087 -14.125 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.406 7.725 -15.320 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.813 5.992 -15.313 1.00 0.00 H new ATOM 890 N SER A 56 9.783 7.669 -20.573 1.00 0.00 N ATOM 891 CA SER A 56 9.049 7.696 -21.832 1.00 0.00 C ATOM 892 C SER A 56 9.291 6.418 -22.630 1.00 0.00 C ATOM 893 O SER A 56 8.368 5.640 -22.872 1.00 0.00 O ATOM 894 CB SER A 56 9.462 8.914 -22.661 1.00 0.00 C ATOM 895 OG SER A 56 8.892 8.865 -23.958 1.00 0.00 O ATOM 0 H SER A 56 10.472 6.920 -20.503 1.00 0.00 H new ATOM 0 HA SER A 56 7.986 7.764 -21.603 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.145 9.826 -22.155 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.548 8.953 -22.739 1.00 0.00 H new ATOM 0 HG SER A 56 9.169 9.655 -24.467 1.00 0.00 H new ATOM 901 N ASP A 57 10.539 6.209 -23.035 1.00 0.00 N ATOM 902 CA ASP A 57 10.904 5.026 -23.805 1.00 0.00 C ATOM 903 C ASP A 57 11.681 4.035 -22.943 1.00 0.00 C ATOM 904 O ASP A 57 12.091 2.976 -23.416 1.00 0.00 O ATOM 905 CB ASP A 57 11.737 5.421 -25.025 1.00 0.00 C ATOM 906 CG ASP A 57 10.918 6.145 -26.075 1.00 0.00 C ATOM 907 OD1 ASP A 57 9.698 5.891 -26.156 1.00 0.00 O ATOM 908 OD2 ASP A 57 11.497 6.967 -26.816 1.00 0.00 O ATOM 0 H ASP A 57 11.314 6.843 -22.843 1.00 0.00 H new ATOM 0 HA ASP A 57 9.986 4.546 -24.142 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.561 6.060 -24.707 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.178 4.527 -25.465 1.00 0.00 H new ATOM 913 N GLN A 58 11.879 4.389 -21.677 1.00 0.00 N ATOM 914 CA GLN A 58 12.609 3.532 -20.750 1.00 0.00 C ATOM 915 C GLN A 58 11.648 2.692 -19.915 1.00 0.00 C ATOM 916 O GLN A 58 12.000 1.608 -19.449 1.00 0.00 O ATOM 917 CB GLN A 58 13.497 4.375 -19.834 1.00 0.00 C ATOM 918 CG GLN A 58 14.768 4.869 -20.505 1.00 0.00 C ATOM 919 CD GLN A 58 15.564 3.749 -21.144 1.00 0.00 C ATOM 920 OE1 GLN A 58 16.385 3.104 -20.490 1.00 0.00 O ATOM 921 NE2 GLN A 58 15.325 3.510 -22.428 1.00 0.00 N ATOM 0 H GLN A 58 11.544 5.262 -21.270 1.00 0.00 H new ATOM 0 HA GLN A 58 13.238 2.860 -21.334 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.927 5.233 -19.478 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.765 3.785 -18.958 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.510 5.606 -21.266 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.390 5.377 -19.768 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.636 4.069 -22.931 1.00 0.00 H new ATOM 0 HE22 GLN A 58 15.830 2.767 -22.911 1.00 0.00 H new ATOM 930 N ASP A 59 10.434 3.199 -19.729 1.00 0.00 N ATOM 931 CA ASP A 59 9.422 2.495 -18.951 1.00 0.00 C ATOM 932 C ASP A 59 9.079 1.154 -19.591 1.00 0.00 C ATOM 933 O ASP A 59 9.199 0.105 -18.959 1.00 0.00 O ATOM 934 CB ASP A 59 8.160 3.351 -18.823 1.00 0.00 C ATOM 935 CG ASP A 59 7.775 4.014 -20.131 1.00 0.00 C ATOM 936 OD1 ASP A 59 7.056 3.378 -20.928 1.00 0.00 O ATOM 937 OD2 ASP A 59 8.195 5.168 -20.357 1.00 0.00 O ATOM 0 H ASP A 59 10.127 4.095 -20.107 1.00 0.00 H new ATOM 0 HA ASP A 59 9.828 2.309 -17.957 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.335 2.727 -18.478 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.319 4.117 -18.064 1.00 0.00 H new ATOM 942 N ALA A 60 8.652 1.196 -20.848 1.00 0.00 N ATOM 943 CA ALA A 60 8.293 -0.016 -21.574 1.00 0.00 C ATOM 944 C ALA A 60 9.452 -1.007 -21.595 1.00 0.00 C ATOM 945 O ALA A 60 9.246 -2.216 -21.703 1.00 0.00 O ATOM 946 CB ALA A 60 7.863 0.327 -22.993 1.00 0.00 C ATOM 0 H ALA A 60 8.546 2.056 -21.385 1.00 0.00 H new ATOM 0 HA ALA A 60 7.457 -0.486 -21.056 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.598 -0.587 -23.524 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.000 0.992 -22.961 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.683 0.823 -23.512 1.00 0.00 H new ATOM 952 N LEU A 61 10.670 -0.487 -21.492 1.00 0.00 N ATOM 953 CA LEU A 61 11.863 -1.327 -21.500 1.00 0.00 C ATOM 954 C LEU A 61 12.371 -1.565 -20.081 1.00 0.00 C ATOM 955 O LEU A 61 13.511 -1.982 -19.880 1.00 0.00 O ATOM 956 CB LEU A 61 12.961 -0.679 -22.345 1.00 0.00 C ATOM 957 CG LEU A 61 12.687 -0.587 -23.846 1.00 0.00 C ATOM 958 CD1 LEU A 61 13.700 0.326 -24.519 1.00 0.00 C ATOM 959 CD2 LEU A 61 12.712 -1.971 -24.478 1.00 0.00 C ATOM 0 H LEU A 61 10.858 0.512 -21.402 1.00 0.00 H new ATOM 0 HA LEU A 61 11.597 -2.289 -21.937 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.137 0.328 -21.966 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.884 -1.241 -22.198 1.00 0.00 H new ATOM 0 HG LEU A 61 11.694 -0.161 -23.989 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.489 0.379 -25.587 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.634 1.324 -24.086 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.704 -0.070 -24.367 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.515 -1.887 -25.547 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.692 -2.424 -24.324 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.947 -2.596 -24.016 1.00 0.00 H new ATOM 971 N LYS A 62 11.515 -1.299 -19.100 1.00 0.00 N ATOM 972 CA LYS A 62 11.874 -1.487 -17.699 1.00 0.00 C ATOM 973 C LYS A 62 10.790 -2.263 -16.959 1.00 0.00 C ATOM 974 O LYS A 62 11.043 -3.342 -16.422 1.00 0.00 O ATOM 975 CB LYS A 62 12.098 -0.133 -17.023 1.00 0.00 C ATOM 976 CG LYS A 62 13.528 0.371 -17.128 1.00 0.00 C ATOM 977 CD LYS A 62 13.822 1.435 -16.085 1.00 0.00 C ATOM 978 CE LYS A 62 13.343 2.806 -16.536 1.00 0.00 C ATOM 979 NZ LYS A 62 14.453 3.798 -16.572 1.00 0.00 N ATOM 0 H LYS A 62 10.567 -0.952 -19.249 1.00 0.00 H new ATOM 0 HA LYS A 62 12.799 -2.063 -17.661 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.429 0.602 -17.470 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.826 -0.213 -15.970 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.219 -0.463 -17.003 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.699 0.780 -18.124 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.336 1.170 -15.146 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.894 1.469 -15.891 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.895 2.726 -17.527 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.563 3.158 -15.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.085 4.719 -16.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.864 3.893 -15.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.186 3.475 -17.235 1.00 0.00 H new ATOM 993 N ILE A 63 9.582 -1.709 -16.936 1.00 0.00 N ATOM 994 CA ILE A 63 8.460 -2.351 -16.265 1.00 0.00 C ATOM 995 C ILE A 63 8.264 -3.779 -16.764 1.00 0.00 C ATOM 996 O ILE A 63 7.714 -4.624 -16.059 1.00 0.00 O ATOM 997 CB ILE A 63 7.153 -1.563 -16.473 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.222 -0.217 -15.748 1.00 0.00 C ATOM 999 CG2 ILE A 63 5.962 -2.374 -15.984 1.00 0.00 C ATOM 1000 CD1 ILE A 63 7.764 0.904 -16.607 1.00 0.00 C ATOM 0 H ILE A 63 9.356 -0.816 -17.375 1.00 0.00 H new ATOM 0 HA ILE A 63 8.698 -2.370 -15.202 1.00 0.00 H new ATOM 0 HB ILE A 63 7.026 -1.374 -17.539 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.224 0.052 -15.401 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.849 -0.322 -14.863 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.046 -1.804 -16.138 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.905 -3.309 -16.541 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.081 -2.591 -14.922 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.785 1.828 -16.029 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.774 0.657 -16.933 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.124 1.036 -17.479 1.00 0.00 H new ATOM 1012 N ASN A 64 8.721 -4.041 -17.984 1.00 0.00 N ATOM 1013 CA ASN A 64 8.597 -5.367 -18.578 1.00 0.00 C ATOM 1014 C ASN A 64 9.008 -6.449 -17.583 1.00 0.00 C ATOM 1015 O ASN A 64 8.440 -7.541 -17.566 1.00 0.00 O ATOM 1016 CB ASN A 64 9.457 -5.466 -19.840 1.00 0.00 C ATOM 1017 CG ASN A 64 10.910 -5.768 -19.527 1.00 0.00 C ATOM 1018 OD1 ASN A 64 11.441 -6.802 -19.932 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.560 -4.864 -18.804 1.00 0.00 N ATOM 0 H ASN A 64 9.180 -3.353 -18.580 1.00 0.00 H new ATOM 0 HA ASN A 64 7.552 -5.522 -18.846 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.058 -6.246 -20.488 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.394 -4.529 -20.393 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.540 -5.012 -18.563 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.079 -4.021 -18.490 1.00 0.00 H new ATOM 1026 N THR A 65 10.000 -6.137 -16.755 1.00 0.00 N ATOM 1027 CA THR A 65 10.488 -7.082 -15.758 1.00 0.00 C ATOM 1028 C THR A 65 10.205 -6.585 -14.345 1.00 0.00 C ATOM 1029 O THR A 65 10.516 -5.443 -14.003 1.00 0.00 O ATOM 1030 CB THR A 65 12.001 -7.328 -15.910 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.732 -6.182 -15.458 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.358 -7.624 -17.358 1.00 0.00 C ATOM 0 H THR A 65 10.481 -5.238 -16.755 1.00 0.00 H new ATOM 0 HA THR A 65 9.957 -8.019 -15.924 1.00 0.00 H new ATOM 0 HB THR A 65 12.269 -8.192 -15.302 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.558 -6.095 -15.978 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.431 -7.794 -17.441 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.823 -8.514 -17.690 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.076 -6.777 -17.983 1.00 0.00 H new ATOM 1040 N VAL A 66 9.614 -7.449 -13.525 1.00 0.00 N ATOM 1041 CA VAL A 66 9.291 -7.098 -12.147 1.00 0.00 C ATOM 1042 C VAL A 66 10.476 -6.431 -11.458 1.00 0.00 C ATOM 1043 O VAL A 66 10.301 -5.596 -10.571 1.00 0.00 O ATOM 1044 CB VAL A 66 8.871 -8.337 -11.336 1.00 0.00 C ATOM 1045 CG1 VAL A 66 8.689 -7.979 -9.869 1.00 0.00 C ATOM 1046 CG2 VAL A 66 7.597 -8.941 -11.908 1.00 0.00 C ATOM 0 H VAL A 66 9.349 -8.397 -13.791 1.00 0.00 H new ATOM 0 HA VAL A 66 8.456 -6.399 -12.186 1.00 0.00 H new ATOM 0 HB VAL A 66 9.663 -9.082 -11.407 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.392 -8.868 -9.312 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.628 -7.596 -9.469 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.916 -7.216 -9.774 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.314 -9.816 -11.323 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.795 -8.204 -11.869 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.767 -9.237 -12.943 1.00 0.00 H new ATOM 1056 N GLN A 67 11.682 -6.804 -11.873 1.00 0.00 N ATOM 1057 CA GLN A 67 12.897 -6.242 -11.295 1.00 0.00 C ATOM 1058 C GLN A 67 13.054 -4.774 -11.679 1.00 0.00 C ATOM 1059 O GLN A 67 13.053 -3.894 -10.818 1.00 0.00 O ATOM 1060 CB GLN A 67 14.121 -7.036 -11.755 1.00 0.00 C ATOM 1061 CG GLN A 67 15.439 -6.466 -11.255 1.00 0.00 C ATOM 1062 CD GLN A 67 15.493 -6.358 -9.744 1.00 0.00 C ATOM 1063 OE1 GLN A 67 15.821 -7.323 -9.053 1.00 0.00 O ATOM 1064 NE2 GLN A 67 15.169 -5.181 -9.222 1.00 0.00 N ATOM 0 H GLN A 67 11.844 -7.493 -12.607 1.00 0.00 H new ATOM 0 HA GLN A 67 12.817 -6.308 -10.210 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.026 -8.066 -11.411 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.137 -7.064 -12.845 1.00 0.00 H new ATOM 0 HG2 GLN A 67 16.258 -7.098 -11.600 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.592 -5.479 -11.692 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.903 -4.408 -9.832 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.186 -5.050 -8.211 1.00 0.00 H new ATOM 1073 N ASP A 68 13.189 -4.519 -12.975 1.00 0.00 N ATOM 1074 CA ASP A 68 13.346 -3.157 -13.473 1.00 0.00 C ATOM 1075 C ASP A 68 12.148 -2.295 -13.087 1.00 0.00 C ATOM 1076 O ASP A 68 12.285 -1.095 -12.850 1.00 0.00 O ATOM 1077 CB ASP A 68 13.516 -3.164 -14.993 1.00 0.00 C ATOM 1078 CG ASP A 68 14.963 -3.330 -15.413 1.00 0.00 C ATOM 1079 OD1 ASP A 68 15.728 -2.348 -15.307 1.00 0.00 O ATOM 1080 OD2 ASP A 68 15.331 -4.441 -15.848 1.00 0.00 O ATOM 0 H ASP A 68 13.193 -5.237 -13.700 1.00 0.00 H new ATOM 0 HA ASP A 68 14.239 -2.731 -13.017 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.922 -3.973 -15.418 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.126 -2.233 -15.404 1.00 0.00 H new ATOM 1085 N ALA A 69 10.974 -2.915 -13.027 1.00 0.00 N ATOM 1086 CA ALA A 69 9.753 -2.205 -12.669 1.00 0.00 C ATOM 1087 C ALA A 69 9.872 -1.571 -11.287 1.00 0.00 C ATOM 1088 O ALA A 69 9.836 -0.348 -11.150 1.00 0.00 O ATOM 1089 CB ALA A 69 8.560 -3.149 -12.717 1.00 0.00 C ATOM 0 H ALA A 69 10.843 -3.908 -13.222 1.00 0.00 H new ATOM 0 HA ALA A 69 9.600 -1.406 -13.395 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.655 -2.605 -12.447 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.455 -3.552 -13.724 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.715 -3.967 -12.014 1.00 0.00 H new ATOM 1095 N ILE A 70 10.012 -2.410 -10.266 1.00 0.00 N ATOM 1096 CA ILE A 70 10.136 -1.930 -8.895 1.00 0.00 C ATOM 1097 C ILE A 70 11.370 -1.048 -8.731 1.00 0.00 C ATOM 1098 O ILE A 70 11.478 -0.286 -7.770 1.00 0.00 O ATOM 1099 CB ILE A 70 10.217 -3.098 -7.895 1.00 0.00 C ATOM 1100 CG1 ILE A 70 11.516 -3.881 -8.096 1.00 0.00 C ATOM 1101 CG2 ILE A 70 9.012 -4.013 -8.050 1.00 0.00 C ATOM 1102 CD1 ILE A 70 11.630 -5.100 -7.208 1.00 0.00 C ATOM 0 H ILE A 70 10.042 -3.425 -10.362 1.00 0.00 H new ATOM 0 HA ILE A 70 9.242 -1.343 -8.684 1.00 0.00 H new ATOM 0 HB ILE A 70 10.212 -2.692 -6.884 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.585 -4.193 -9.138 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.362 -3.221 -7.904 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.084 -4.834 -7.336 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.099 -3.448 -7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.988 -4.414 -9.063 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.575 -5.606 -7.404 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.593 -4.793 -6.163 1.00 0.00 H new ATOM 0 HD13 ILE A 70 10.804 -5.780 -7.416 1.00 0.00 H new ATOM 1114 N ASP A 71 12.297 -1.156 -9.676 1.00 0.00 N ATOM 1115 CA ASP A 71 13.523 -0.367 -9.639 1.00 0.00 C ATOM 1116 C ASP A 71 13.301 1.010 -10.256 1.00 0.00 C ATOM 1117 O ASP A 71 13.943 1.987 -9.867 1.00 0.00 O ATOM 1118 CB ASP A 71 14.647 -1.096 -10.377 1.00 0.00 C ATOM 1119 CG ASP A 71 16.022 -0.699 -9.875 1.00 0.00 C ATOM 1120 OD1 ASP A 71 16.184 -0.547 -8.646 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.935 -0.541 -10.711 1.00 0.00 O ATOM 0 H ASP A 71 12.223 -1.782 -10.478 1.00 0.00 H new ATOM 0 HA ASP A 71 13.810 -0.236 -8.596 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.517 -2.172 -10.259 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.577 -0.881 -11.443 1.00 0.00 H new ATOM 1126 N TYR A 72 12.391 1.081 -11.221 1.00 0.00 N ATOM 1127 CA TYR A 72 12.087 2.338 -11.894 1.00 0.00 C ATOM 1128 C TYR A 72 11.153 3.198 -11.048 1.00 0.00 C ATOM 1129 O TYR A 72 11.103 4.418 -11.205 1.00 0.00 O ATOM 1130 CB TYR A 72 11.453 2.068 -13.260 1.00 0.00 C ATOM 1131 CG TYR A 72 9.998 2.469 -13.342 1.00 0.00 C ATOM 1132 CD1 TYR A 72 9.632 3.799 -13.515 1.00 0.00 C ATOM 1133 CD2 TYR A 72 8.988 1.520 -13.245 1.00 0.00 C ATOM 1134 CE1 TYR A 72 8.304 4.171 -13.589 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.657 1.882 -13.320 1.00 0.00 C ATOM 1136 CZ TYR A 72 7.320 3.209 -13.492 1.00 0.00 C ATOM 1137 OH TYR A 72 5.995 3.574 -13.565 1.00 0.00 O ATOM 0 H TYR A 72 11.851 0.283 -11.555 1.00 0.00 H new ATOM 0 HA TYR A 72 13.022 2.881 -12.035 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.013 2.607 -14.024 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.542 1.006 -13.489 1.00 0.00 H new ATOM 0 HD1 TYR A 72 10.400 4.555 -13.593 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.248 0.481 -13.109 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.037 5.209 -13.722 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.885 1.131 -13.244 1.00 0.00 H new ATOM 0 HH TYR A 72 5.736 3.679 -14.504 1.00 0.00 H new ATOM 1147 N ILE A 73 10.416 2.552 -10.151 1.00 0.00 N ATOM 1148 CA ILE A 73 9.485 3.257 -9.279 1.00 0.00 C ATOM 1149 C ILE A 73 10.153 3.652 -7.966 1.00 0.00 C ATOM 1150 O ILE A 73 9.868 4.711 -7.408 1.00 0.00 O ATOM 1151 CB ILE A 73 8.243 2.400 -8.972 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.646 1.127 -8.225 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.506 2.056 -10.257 1.00 0.00 C ATOM 1154 CD1 ILE A 73 8.520 1.241 -6.722 1.00 0.00 C ATOM 0 H ILE A 73 10.445 1.542 -10.009 1.00 0.00 H new ATOM 0 HA ILE A 73 9.174 4.156 -9.811 1.00 0.00 H new ATOM 0 HB ILE A 73 7.572 2.975 -8.334 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.025 0.301 -8.572 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.677 0.879 -8.477 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.631 1.450 -10.023 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.190 2.974 -10.752 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.168 1.497 -10.918 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.822 0.302 -6.259 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.162 2.046 -6.363 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.485 1.458 -6.459 1.00 0.00 H new ATOM 1166 N GLU A 74 11.045 2.794 -7.481 1.00 0.00 N ATOM 1167 CA GLU A 74 11.755 3.055 -6.234 1.00 0.00 C ATOM 1168 C GLU A 74 12.854 4.093 -6.441 1.00 0.00 C ATOM 1169 O GLU A 74 13.115 4.920 -5.567 1.00 0.00 O ATOM 1170 CB GLU A 74 12.357 1.760 -5.684 1.00 0.00 C ATOM 1171 CG GLU A 74 11.353 0.882 -4.957 1.00 0.00 C ATOM 1172 CD GLU A 74 11.776 0.565 -3.536 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.847 -0.053 -3.360 1.00 0.00 O ATOM 1174 OE2 GLU A 74 11.036 0.934 -2.600 1.00 0.00 O ATOM 0 H GLU A 74 11.293 1.913 -7.932 1.00 0.00 H new ATOM 0 HA GLU A 74 11.039 3.449 -5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.793 1.194 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.170 2.008 -5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.384 1.381 -4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.223 -0.049 -5.509 1.00 0.00 H new ATOM 1181 N LYS A 75 13.497 4.042 -7.603 1.00 0.00 N ATOM 1182 CA LYS A 75 14.568 4.977 -7.927 1.00 0.00 C ATOM 1183 C LYS A 75 14.009 6.368 -8.210 1.00 0.00 C ATOM 1184 O LYS A 75 14.620 7.375 -7.857 1.00 0.00 O ATOM 1185 CB LYS A 75 15.359 4.478 -9.138 1.00 0.00 C ATOM 1186 CG LYS A 75 14.658 4.717 -10.464 1.00 0.00 C ATOM 1187 CD LYS A 75 15.322 3.948 -11.593 1.00 0.00 C ATOM 1188 CE LYS A 75 16.651 4.573 -11.987 1.00 0.00 C ATOM 1189 NZ LYS A 75 17.737 3.558 -12.078 1.00 0.00 N ATOM 0 H LYS A 75 13.295 3.363 -8.336 1.00 0.00 H new ATOM 0 HA LYS A 75 15.234 5.040 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.330 4.973 -9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.547 3.410 -9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.613 4.417 -10.383 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.667 5.782 -10.694 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.482 2.914 -11.286 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.659 3.925 -12.458 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.544 5.078 -12.947 1.00 0.00 H new ATOM 0 HE3 LYS A 75 16.925 5.334 -11.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 18.626 4.024 -12.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.857 3.094 -11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.488 2.846 -12.794 1.00 0.00 H new ATOM 1203 N ASN A 76 12.844 6.414 -8.847 1.00 0.00 N ATOM 1204 CA ASN A 76 12.202 7.682 -9.176 1.00 0.00 C ATOM 1205 C ASN A 76 11.320 8.160 -8.027 1.00 0.00 C ATOM 1206 O ASN A 76 11.692 9.065 -7.281 1.00 0.00 O ATOM 1207 CB ASN A 76 11.366 7.539 -10.450 1.00 0.00 C ATOM 1208 CG ASN A 76 12.225 7.382 -11.690 1.00 0.00 C ATOM 1209 OD1 ASN A 76 12.013 6.474 -12.494 1.00 0.00 O ATOM 1210 ND2 ASN A 76 13.200 8.268 -11.850 1.00 0.00 N ATOM 0 H ASN A 76 12.325 5.588 -9.146 1.00 0.00 H new ATOM 0 HA ASN A 76 12.983 8.423 -9.343 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.709 6.675 -10.355 1.00 0.00 H new ATOM 0 HB3 ASN A 76 10.727 8.415 -10.562 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.810 8.213 -12.665 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.339 9.004 -11.158 1.00 0.00 H new ATOM 1217 N ASN A 77 10.150 7.544 -7.890 1.00 0.00 N ATOM 1218 CA ASN A 77 9.215 7.907 -6.832 1.00 0.00 C ATOM 1219 C ASN A 77 9.729 7.447 -5.471 1.00 0.00 C ATOM 1220 O ASN A 77 10.189 6.315 -5.318 1.00 0.00 O ATOM 1221 CB ASN A 77 7.841 7.292 -7.104 1.00 0.00 C ATOM 1222 CG ASN A 77 7.104 6.933 -5.828 1.00 0.00 C ATOM 1223 OD1 ASN A 77 6.328 7.729 -5.301 1.00 0.00 O ATOM 1224 ND2 ASN A 77 7.346 5.727 -5.326 1.00 0.00 N ATOM 0 H ASN A 77 9.827 6.792 -8.498 1.00 0.00 H new ATOM 0 HA ASN A 77 9.124 8.993 -6.819 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.240 7.994 -7.682 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.961 6.397 -7.715 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.880 5.428 -4.469 1.00 0.00 H new ATOM 0 HD22 ASN A 77 7.998 5.100 -5.797 1.00 0.00 H new