USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 670 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 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 25 GLN : amide:sc= -2.61 X(o=-2.6,f=-3.1) USER MOD Set 2.2: A 37 MET CE :methyl 173:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -2.31! C(o=-2.3!,f=-4.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -72:sc= 0.726 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.8!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 106:sc= 1.08 USER MOD Single : A 45 MET CE :methyl -165:sc= 0 (180deg=-0.14) USER MOD Single : A 46 ASN : amide:sc= -0.72 X(o=-0.72,f=-0.3) USER MOD Single : A 48 TYR OH : rot 180:sc= -1.48 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 42:sc= -1.34! USER MOD Single : A 54 GLN : amide:sc= -0.0125 X(o=-0.012,f=-0.21) USER MOD Single : A 55 GLN : amide:sc= -10.1! C(o=-10!,f=-7.4!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -4.48! C(o=-4.5!,f=-7.4!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -122:sc= -2.38! USER MOD Single : A 90 LYS NZ :NH3+ -152:sc= 1.29 (180deg=0.0899) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N ALA A 6 -7.092 20.069 -5.736 1.00 0.00 N ATOM 64 CA ALA A 6 -5.792 20.047 -5.074 1.00 0.00 C ATOM 65 C ALA A 6 -5.651 18.815 -4.189 1.00 0.00 C ATOM 66 O ALA A 6 -4.652 18.094 -4.257 1.00 0.00 O ATOM 67 CB ALA A 6 -5.595 21.315 -4.257 1.00 0.00 C ATOM 0 HA ALA A 6 -5.019 20.001 -5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.621 21.285 -3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.645 22.183 -4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.378 21.387 -3.502 1.00 0.00 H new ATOM 73 N ASN A 7 -6.663 18.563 -3.367 1.00 0.00 N ATOM 74 CA ASN A 7 -6.643 17.406 -2.489 1.00 0.00 C ATOM 75 C ASN A 7 -6.523 16.130 -3.312 1.00 0.00 C ATOM 76 O ASN A 7 -5.628 15.317 -3.087 1.00 0.00 O ATOM 77 CB ASN A 7 -7.902 17.364 -1.622 1.00 0.00 C ATOM 78 CG ASN A 7 -7.575 17.231 -0.147 1.00 0.00 C ATOM 79 OD1 ASN A 7 -7.990 16.275 0.509 1.00 0.00 O ATOM 80 ND2 ASN A 7 -6.828 18.193 0.384 1.00 0.00 N ATOM 0 H ASN A 7 -7.500 19.141 -3.292 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.778 17.484 -1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.483 18.272 -1.784 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -8.527 16.526 -1.931 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.577 18.157 1.372 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.505 18.967 -0.196 1.00 0.00 H new ATOM 87 N LYS A 8 -7.435 15.959 -4.267 1.00 0.00 N ATOM 88 CA LYS A 8 -7.431 14.780 -5.119 1.00 0.00 C ATOM 89 C LYS A 8 -6.092 14.609 -5.826 1.00 0.00 C ATOM 90 O LYS A 8 -5.650 13.483 -6.061 1.00 0.00 O ATOM 91 CB LYS A 8 -8.559 14.869 -6.151 1.00 0.00 C ATOM 92 CG LYS A 8 -9.387 13.600 -6.259 1.00 0.00 C ATOM 93 CD LYS A 8 -10.836 13.906 -6.604 1.00 0.00 C ATOM 94 CE LYS A 8 -11.692 14.044 -5.355 1.00 0.00 C ATOM 95 NZ LYS A 8 -12.835 13.088 -5.358 1.00 0.00 N ATOM 0 H LYS A 8 -8.183 16.623 -4.467 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.591 13.909 -4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -9.215 15.699 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.130 15.097 -7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.960 12.950 -7.023 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.344 13.055 -5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.886 14.828 -7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.236 13.112 -7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.077 13.872 -4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.071 15.064 -5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.395 13.213 -4.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.436 13.269 -6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.473 12.114 -5.399 1.00 0.00 H new ATOM 109 N ASP A 9 -5.437 15.719 -6.161 1.00 0.00 N ATOM 110 CA ASP A 9 -4.148 15.642 -6.835 1.00 0.00 C ATOM 111 C ASP A 9 -3.123 14.998 -5.909 1.00 0.00 C ATOM 112 O ASP A 9 -2.373 14.111 -6.320 1.00 0.00 O ATOM 113 CB ASP A 9 -3.689 17.034 -7.311 1.00 0.00 C ATOM 114 CG ASP A 9 -2.764 17.748 -6.337 1.00 0.00 C ATOM 115 OD1 ASP A 9 -1.690 17.195 -6.018 1.00 0.00 O ATOM 116 OD2 ASP A 9 -3.107 18.870 -5.909 1.00 0.00 O ATOM 0 H ASP A 9 -5.772 16.665 -5.980 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.248 15.019 -7.724 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.180 16.929 -8.269 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.568 17.656 -7.483 1.00 0.00 H new ATOM 121 N LEU A 10 -3.096 15.442 -4.656 1.00 0.00 N ATOM 122 CA LEU A 10 -2.161 14.900 -3.679 1.00 0.00 C ATOM 123 C LEU A 10 -2.401 13.406 -3.509 1.00 0.00 C ATOM 124 O LEU A 10 -1.457 12.609 -3.536 1.00 0.00 O ATOM 125 CB LEU A 10 -2.338 15.637 -2.349 1.00 0.00 C ATOM 126 CG LEU A 10 -1.644 15.007 -1.139 1.00 0.00 C ATOM 127 CD1 LEU A 10 -0.407 15.804 -0.754 1.00 0.00 C ATOM 128 CD2 LEU A 10 -2.611 14.921 0.031 1.00 0.00 C ATOM 0 H LEU A 10 -3.709 16.173 -4.295 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.137 15.043 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.967 16.655 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.404 15.710 -2.135 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.327 13.999 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.071 15.339 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.291 15.820 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.695 16.825 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.108 14.471 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.952 15.922 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.468 14.308 -0.249 1.00 0.00 H new ATOM 140 N ILE A 11 -3.666 13.018 -3.377 1.00 0.00 N ATOM 141 CA ILE A 11 -3.998 11.608 -3.249 1.00 0.00 C ATOM 142 C ILE A 11 -3.448 10.856 -4.454 1.00 0.00 C ATOM 143 O ILE A 11 -2.711 9.881 -4.310 1.00 0.00 O ATOM 144 CB ILE A 11 -5.521 11.384 -3.158 1.00 0.00 C ATOM 145 CG1 ILE A 11 -6.119 12.227 -2.030 1.00 0.00 C ATOM 146 CG2 ILE A 11 -5.830 9.910 -2.945 1.00 0.00 C ATOM 147 CD1 ILE A 11 -5.548 11.908 -0.665 1.00 0.00 C ATOM 0 H ILE A 11 -4.465 13.651 -3.356 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.550 11.236 -2.327 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.973 11.698 -4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.950 13.282 -2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.198 12.075 -2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.909 9.770 -2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.436 9.331 -3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.366 9.571 -2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.019 12.544 0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.740 10.862 -0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.473 12.087 -0.669 1.00 0.00 H new ATOM 159 N SER A 12 -3.813 11.322 -5.650 1.00 0.00 N ATOM 160 CA SER A 12 -3.359 10.699 -6.886 1.00 0.00 C ATOM 161 C SER A 12 -1.844 10.524 -6.892 1.00 0.00 C ATOM 162 O SER A 12 -1.331 9.560 -7.452 1.00 0.00 O ATOM 163 CB SER A 12 -3.789 11.540 -8.091 1.00 0.00 C ATOM 164 OG SER A 12 -3.308 10.981 -9.301 1.00 0.00 O ATOM 0 H SER A 12 -4.422 12.129 -5.784 1.00 0.00 H new ATOM 0 HA SER A 12 -3.818 9.712 -6.952 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.877 11.605 -8.124 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.412 12.557 -7.982 1.00 0.00 H new ATOM 0 HG SER A 12 -3.597 11.536 -10.055 1.00 0.00 H new ATOM 170 N ALA A 13 -1.130 11.452 -6.261 1.00 0.00 N ATOM 171 CA ALA A 13 0.324 11.365 -6.203 1.00 0.00 C ATOM 172 C ALA A 13 0.747 10.162 -5.371 1.00 0.00 C ATOM 173 O ALA A 13 1.585 9.364 -5.791 1.00 0.00 O ATOM 174 CB ALA A 13 0.918 12.647 -5.639 1.00 0.00 C ATOM 0 H ALA A 13 -1.529 12.263 -5.788 1.00 0.00 H new ATOM 0 HA ALA A 13 0.704 11.235 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.004 12.560 -5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.641 13.487 -6.276 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.535 12.813 -4.632 1.00 0.00 H new ATOM 180 N GLY A 14 0.142 10.021 -4.200 1.00 0.00 N ATOM 181 CA GLY A 14 0.452 8.886 -3.345 1.00 0.00 C ATOM 182 C GLY A 14 0.056 7.582 -4.011 1.00 0.00 C ATOM 183 O GLY A 14 0.656 6.534 -3.771 1.00 0.00 O ATOM 0 H GLY A 14 -0.554 10.666 -3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.519 8.875 -3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.072 8.988 -2.395 1.00 0.00 H new ATOM 187 N LEU A 15 -0.951 7.673 -4.873 1.00 0.00 N ATOM 188 CA LEU A 15 -1.436 6.519 -5.612 1.00 0.00 C ATOM 189 C LEU A 15 -0.446 6.145 -6.708 1.00 0.00 C ATOM 190 O LEU A 15 0.066 5.027 -6.744 1.00 0.00 O ATOM 191 CB LEU A 15 -2.815 6.804 -6.213 1.00 0.00 C ATOM 192 CG LEU A 15 -3.989 6.163 -5.472 1.00 0.00 C ATOM 193 CD1 LEU A 15 -5.241 7.015 -5.614 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.241 4.755 -5.989 1.00 0.00 C ATOM 0 H LEU A 15 -1.448 8.540 -5.076 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.531 5.680 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.967 7.883 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.823 6.456 -7.246 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.734 6.101 -4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.065 6.542 -5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.057 8.004 -5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.499 7.110 -6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.080 4.314 -5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.474 4.794 -7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.350 4.146 -5.835 1.00 0.00 H new ATOM 206 N LYS A 16 -0.181 7.094 -7.598 1.00 0.00 N ATOM 207 CA LYS A 16 0.750 6.872 -8.696 1.00 0.00 C ATOM 208 C LYS A 16 2.096 6.401 -8.163 1.00 0.00 C ATOM 209 O LYS A 16 2.712 5.491 -8.717 1.00 0.00 O ATOM 210 CB LYS A 16 0.914 8.152 -9.527 1.00 0.00 C ATOM 211 CG LYS A 16 1.871 9.168 -8.924 1.00 0.00 C ATOM 212 CD LYS A 16 1.954 10.426 -9.773 1.00 0.00 C ATOM 213 CE LYS A 16 3.073 10.335 -10.799 1.00 0.00 C ATOM 214 NZ LYS A 16 4.326 10.978 -10.316 1.00 0.00 N ATOM 0 H LYS A 16 -0.598 8.025 -7.580 1.00 0.00 H new ATOM 0 HA LYS A 16 0.345 6.094 -9.343 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.267 7.883 -10.522 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.063 8.619 -9.651 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.541 9.428 -7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.862 8.725 -8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.004 10.585 -10.283 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.119 11.290 -9.129 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.269 9.288 -11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.755 10.812 -11.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.063 10.894 -11.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.147 11.983 -10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.645 10.507 -9.445 1.00 0.00 H new ATOM 228 N GLU A 17 2.541 7.016 -7.075 1.00 0.00 N ATOM 229 CA GLU A 17 3.808 6.649 -6.462 1.00 0.00 C ATOM 230 C GLU A 17 3.765 5.208 -5.972 1.00 0.00 C ATOM 231 O GLU A 17 4.661 4.416 -6.266 1.00 0.00 O ATOM 232 CB GLU A 17 4.131 7.589 -5.298 1.00 0.00 C ATOM 233 CG GLU A 17 5.619 7.718 -5.018 1.00 0.00 C ATOM 234 CD GLU A 17 6.209 8.997 -5.577 1.00 0.00 C ATOM 235 OE1 GLU A 17 6.479 9.044 -6.796 1.00 0.00 O ATOM 236 OE2 GLU A 17 6.401 9.954 -4.796 1.00 0.00 O ATOM 0 H GLU A 17 2.044 7.770 -6.601 1.00 0.00 H new ATOM 0 HA GLU A 17 4.592 6.740 -7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.723 8.576 -5.515 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.630 7.228 -4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.786 7.685 -3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.141 6.863 -5.448 1.00 0.00 H new ATOM 243 N PHE A 18 2.720 4.872 -5.225 1.00 0.00 N ATOM 244 CA PHE A 18 2.572 3.519 -4.702 1.00 0.00 C ATOM 245 C PHE A 18 2.478 2.513 -5.842 1.00 0.00 C ATOM 246 O PHE A 18 3.048 1.424 -5.771 1.00 0.00 O ATOM 247 CB PHE A 18 1.339 3.409 -3.799 1.00 0.00 C ATOM 248 CG PHE A 18 1.257 2.112 -3.035 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.379 1.313 -2.857 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.052 1.693 -2.491 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.300 0.125 -2.155 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.031 0.506 -1.788 1.00 0.00 C ATOM 253 CZ PHE A 18 1.093 -0.278 -1.619 1.00 0.00 C ATOM 0 H PHE A 18 1.968 5.512 -4.969 1.00 0.00 H new ATOM 0 HA PHE A 18 3.455 3.293 -4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.344 4.237 -3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.443 3.517 -4.409 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.326 1.624 -3.273 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.831 2.301 -2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.181 -0.487 -2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.976 0.191 -1.370 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.028 -1.205 -1.068 1.00 0.00 H new ATOM 263 N SER A 19 1.768 2.890 -6.901 1.00 0.00 N ATOM 264 CA SER A 19 1.618 2.022 -8.062 1.00 0.00 C ATOM 265 C SER A 19 2.976 1.778 -8.710 1.00 0.00 C ATOM 266 O SER A 19 3.367 0.636 -8.954 1.00 0.00 O ATOM 267 CB SER A 19 0.655 2.645 -9.076 1.00 0.00 C ATOM 268 OG SER A 19 1.327 3.554 -9.930 1.00 0.00 O ATOM 0 H SER A 19 1.289 3.787 -6.978 1.00 0.00 H new ATOM 0 HA SER A 19 1.205 1.068 -7.733 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.191 1.859 -9.671 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.147 3.162 -8.549 1.00 0.00 H new ATOM 0 HG SER A 19 1.554 4.366 -9.430 1.00 0.00 H new ATOM 274 N VAL A 20 3.698 2.864 -8.973 1.00 0.00 N ATOM 275 CA VAL A 20 5.018 2.773 -9.577 1.00 0.00 C ATOM 276 C VAL A 20 5.953 1.956 -8.692 1.00 0.00 C ATOM 277 O VAL A 20 6.747 1.155 -9.185 1.00 0.00 O ATOM 278 CB VAL A 20 5.628 4.168 -9.817 1.00 0.00 C ATOM 279 CG1 VAL A 20 6.938 4.055 -10.582 1.00 0.00 C ATOM 280 CG2 VAL A 20 4.643 5.060 -10.562 1.00 0.00 C ATOM 0 H VAL A 20 3.389 3.816 -8.776 1.00 0.00 H new ATOM 0 HA VAL A 20 4.902 2.278 -10.541 1.00 0.00 H new ATOM 0 HB VAL A 20 5.838 4.624 -8.849 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.353 5.050 -10.742 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.644 3.455 -10.008 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.757 3.579 -11.545 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.090 6.041 -10.723 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.400 4.610 -11.524 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.733 5.169 -9.972 1.00 0.00 H new ATOM 290 N LEU A 21 5.836 2.147 -7.380 1.00 0.00 N ATOM 291 CA LEU A 21 6.656 1.407 -6.429 1.00 0.00 C ATOM 292 C LEU A 21 6.348 -0.080 -6.542 1.00 0.00 C ATOM 293 O LEU A 21 7.243 -0.923 -6.473 1.00 0.00 O ATOM 294 CB LEU A 21 6.396 1.893 -5.002 1.00 0.00 C ATOM 295 CG LEU A 21 7.285 1.262 -3.930 1.00 0.00 C ATOM 296 CD1 LEU A 21 8.726 1.722 -4.093 1.00 0.00 C ATOM 297 CD2 LEU A 21 6.767 1.602 -2.541 1.00 0.00 C ATOM 0 H LEU A 21 5.184 2.805 -6.954 1.00 0.00 H new ATOM 0 HA LEU A 21 7.707 1.577 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.530 2.974 -4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.354 1.694 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 21 7.256 0.179 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.344 1.263 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.093 1.426 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.774 2.807 -3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.412 1.145 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.766 2.684 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.752 1.221 -2.428 1.00 0.00 H new ATOM 309 N LEU A 22 5.069 -0.386 -6.737 1.00 0.00 N ATOM 310 CA LEU A 22 4.626 -1.765 -6.887 1.00 0.00 C ATOM 311 C LEU A 22 5.175 -2.342 -8.191 1.00 0.00 C ATOM 312 O LEU A 22 5.449 -3.538 -8.288 1.00 0.00 O ATOM 313 CB LEU A 22 3.099 -1.838 -6.869 1.00 0.00 C ATOM 314 CG LEU A 22 2.458 -1.540 -5.510 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.090 -0.896 -5.686 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.346 -2.812 -4.685 1.00 0.00 C ATOM 0 H LEU A 22 4.321 0.305 -6.795 1.00 0.00 H new ATOM 0 HA LEU A 22 5.005 -2.355 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.707 -1.133 -7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.793 -2.834 -7.189 1.00 0.00 H new ATOM 0 HG LEU A 22 3.099 -0.837 -4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.654 -0.694 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.196 0.039 -6.236 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.438 -1.571 -6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.889 -2.582 -3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.729 -3.537 -5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.340 -3.230 -4.524 1.00 0.00 H new ATOM 328 N ASN A 23 5.355 -1.471 -9.186 1.00 0.00 N ATOM 329 CA ASN A 23 5.899 -1.884 -10.478 1.00 0.00 C ATOM 330 C ASN A 23 7.357 -2.314 -10.322 1.00 0.00 C ATOM 331 O ASN A 23 7.885 -3.081 -11.128 1.00 0.00 O ATOM 332 CB ASN A 23 5.789 -0.743 -11.490 1.00 0.00 C ATOM 333 CG ASN A 23 4.525 -0.830 -12.323 1.00 0.00 C ATOM 334 OD1 ASN A 23 3.421 -0.613 -11.823 1.00 0.00 O ATOM 335 ND2 ASN A 23 4.680 -1.152 -13.602 1.00 0.00 N ATOM 0 H ASN A 23 5.132 -0.478 -9.121 1.00 0.00 H new ATOM 0 HA ASN A 23 5.321 -2.732 -10.846 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.808 0.210 -10.962 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.657 -0.760 -12.149 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.865 -1.228 -14.211 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.614 -1.324 -13.975 1.00 0.00 H new ATOM 342 N GLN A 24 7.988 -1.829 -9.254 1.00 0.00 N ATOM 343 CA GLN A 24 9.375 -2.160 -8.930 1.00 0.00 C ATOM 344 C GLN A 24 9.448 -3.523 -8.242 1.00 0.00 C ATOM 345 O GLN A 24 10.383 -3.809 -7.494 1.00 0.00 O ATOM 346 CB GLN A 24 9.984 -1.081 -8.032 1.00 0.00 C ATOM 347 CG GLN A 24 10.720 0.005 -8.800 1.00 0.00 C ATOM 348 CD GLN A 24 12.165 0.150 -8.364 1.00 0.00 C ATOM 349 OE1 GLN A 24 12.949 -0.795 -8.449 1.00 0.00 O ATOM 350 NE2 GLN A 24 12.525 1.338 -7.894 1.00 0.00 N ATOM 0 H GLN A 24 7.551 -1.193 -8.587 1.00 0.00 H new ATOM 0 HA GLN A 24 9.947 -2.205 -9.857 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.192 -0.623 -7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.674 -1.550 -7.331 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.687 -0.223 -9.865 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.205 0.956 -8.661 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.842 2.094 -7.841 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.485 1.495 -7.586 1.00 0.00 H new ATOM 359 N GLN A 25 8.444 -4.356 -8.502 1.00 0.00 N ATOM 360 CA GLN A 25 8.377 -5.685 -7.917 1.00 0.00 C ATOM 361 C GLN A 25 8.698 -6.766 -8.945 1.00 0.00 C ATOM 362 O GLN A 25 7.872 -7.101 -9.794 1.00 0.00 O ATOM 363 CB GLN A 25 6.994 -5.927 -7.311 1.00 0.00 C ATOM 364 CG GLN A 25 6.692 -5.040 -6.113 1.00 0.00 C ATOM 365 CD GLN A 25 7.822 -5.016 -5.101 1.00 0.00 C ATOM 366 OE1 GLN A 25 8.507 -6.018 -4.895 1.00 0.00 O ATOM 367 NE2 GLN A 25 8.020 -3.869 -4.462 1.00 0.00 N ATOM 0 H GLN A 25 7.663 -4.129 -9.118 1.00 0.00 H new ATOM 0 HA GLN A 25 9.128 -5.740 -7.129 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.236 -5.760 -8.077 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.916 -6.971 -7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.498 -4.025 -6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.782 -5.391 -5.627 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.428 -3.064 -4.665 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.764 -3.793 -3.769 1.00 0.00 H new ATOM 376 N VAL A 26 9.899 -7.323 -8.838 1.00 0.00 N ATOM 377 CA VAL A 26 10.347 -8.386 -9.729 1.00 0.00 C ATOM 378 C VAL A 26 10.745 -9.601 -8.905 1.00 0.00 C ATOM 379 O VAL A 26 11.613 -9.510 -8.037 1.00 0.00 O ATOM 380 CB VAL A 26 11.541 -7.944 -10.596 1.00 0.00 C ATOM 381 CG1 VAL A 26 11.070 -7.084 -11.758 1.00 0.00 C ATOM 382 CG2 VAL A 26 12.567 -7.200 -9.755 1.00 0.00 C ATOM 0 H VAL A 26 10.586 -7.052 -8.135 1.00 0.00 H new ATOM 0 HA VAL A 26 9.521 -8.632 -10.397 1.00 0.00 H new ATOM 0 HB VAL A 26 12.017 -8.835 -11.004 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.928 -6.782 -12.358 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.378 -7.655 -12.376 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.566 -6.197 -11.374 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.403 -6.896 -10.385 1.00 0.00 H new ATOM 0 HG22 VAL A 26 12.105 -6.317 -9.314 1.00 0.00 H new ATOM 0 HG23 VAL A 26 12.930 -7.853 -8.962 1.00 0.00 H new ATOM 392 N PHE A 27 10.091 -10.731 -9.148 1.00 0.00 N ATOM 393 CA PHE A 27 10.378 -11.936 -8.381 1.00 0.00 C ATOM 394 C PHE A 27 10.842 -13.097 -9.249 1.00 0.00 C ATOM 395 O PHE A 27 10.082 -13.643 -10.051 1.00 0.00 O ATOM 396 CB PHE A 27 9.144 -12.335 -7.573 1.00 0.00 C ATOM 397 CG PHE A 27 8.622 -11.219 -6.715 1.00 0.00 C ATOM 398 CD1 PHE A 27 9.497 -10.323 -6.120 1.00 0.00 C ATOM 399 CD2 PHE A 27 7.261 -11.057 -6.506 1.00 0.00 C ATOM 400 CE1 PHE A 27 9.028 -9.291 -5.335 1.00 0.00 C ATOM 401 CE2 PHE A 27 6.786 -10.024 -5.722 1.00 0.00 C ATOM 402 CZ PHE A 27 7.672 -9.141 -5.135 1.00 0.00 C ATOM 0 H PHE A 27 9.368 -10.838 -9.860 1.00 0.00 H new ATOM 0 HA PHE A 27 11.205 -11.703 -7.710 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.359 -12.660 -8.255 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.390 -13.188 -6.941 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.560 -10.435 -6.273 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.565 -11.746 -6.961 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.722 -8.601 -4.877 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.724 -9.907 -5.568 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.303 -8.334 -4.520 1.00 0.00 H new ATOM 412 N ASN A 28 12.094 -13.485 -9.043 1.00 0.00 N ATOM 413 CA ASN A 28 12.696 -14.604 -9.754 1.00 0.00 C ATOM 414 C ASN A 28 13.234 -15.598 -8.730 1.00 0.00 C ATOM 415 O ASN A 28 12.545 -16.547 -8.356 1.00 0.00 O ATOM 416 CB ASN A 28 13.817 -14.131 -10.691 1.00 0.00 C ATOM 417 CG ASN A 28 14.440 -12.817 -10.254 1.00 0.00 C ATOM 418 OD1 ASN A 28 13.748 -11.810 -10.095 1.00 0.00 O ATOM 419 ND2 ASN A 28 15.753 -12.820 -10.060 1.00 0.00 N ATOM 0 H ASN A 28 12.721 -13.032 -8.378 1.00 0.00 H new ATOM 0 HA ASN A 28 11.940 -15.084 -10.375 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.592 -14.896 -10.737 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.418 -14.020 -11.699 1.00 0.00 H new ATOM 0 HD21 ASN A 28 16.227 -11.966 -9.768 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.288 -13.677 -10.203 1.00 0.00 H new ATOM 426 N ASP A 29 14.453 -15.360 -8.252 1.00 0.00 N ATOM 427 CA ASP A 29 15.056 -16.220 -7.242 1.00 0.00 C ATOM 428 C ASP A 29 14.521 -15.836 -5.863 1.00 0.00 C ATOM 429 O ASP A 29 13.841 -14.822 -5.730 1.00 0.00 O ATOM 430 CB ASP A 29 16.581 -16.082 -7.280 1.00 0.00 C ATOM 431 CG ASP A 29 17.240 -17.183 -8.086 1.00 0.00 C ATOM 432 OD1 ASP A 29 17.545 -18.245 -7.504 1.00 0.00 O ATOM 433 OD2 ASP A 29 17.451 -16.985 -9.302 1.00 0.00 O ATOM 0 H ASP A 29 15.040 -14.580 -8.548 1.00 0.00 H new ATOM 0 HA ASP A 29 14.798 -17.259 -7.448 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.845 -15.115 -7.707 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.970 -16.098 -6.262 1.00 0.00 H new ATOM 438 N PRO A 30 14.806 -16.636 -4.818 1.00 0.00 N ATOM 439 CA PRO A 30 14.340 -16.374 -3.454 1.00 0.00 C ATOM 440 C PRO A 30 14.309 -14.886 -3.094 1.00 0.00 C ATOM 441 O PRO A 30 13.447 -14.445 -2.336 1.00 0.00 O ATOM 442 CB PRO A 30 15.358 -17.121 -2.576 1.00 0.00 C ATOM 443 CG PRO A 30 16.254 -17.880 -3.513 1.00 0.00 C ATOM 444 CD PRO A 30 15.593 -17.868 -4.865 1.00 0.00 C ATOM 0 HA PRO A 30 13.310 -16.704 -3.320 1.00 0.00 H new ATOM 0 HB2 PRO A 30 15.934 -16.422 -1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 30 14.853 -17.799 -1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 30 17.240 -17.418 -3.562 1.00 0.00 H new ATOM 0 HG3 PRO A 30 16.399 -18.902 -3.164 1.00 0.00 H new ATOM 0 HD2 PRO A 30 16.323 -17.853 -5.674 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.965 -18.746 -5.018 1.00 0.00 H new ATOM 452 N LEU A 31 15.252 -14.119 -3.638 1.00 0.00 N ATOM 453 CA LEU A 31 15.339 -12.682 -3.379 1.00 0.00 C ATOM 454 C LEU A 31 15.244 -12.367 -1.874 1.00 0.00 C ATOM 455 O LEU A 31 15.924 -13.000 -1.066 1.00 0.00 O ATOM 456 CB LEU A 31 14.273 -11.931 -4.199 1.00 0.00 C ATOM 457 CG LEU A 31 12.815 -12.121 -3.762 1.00 0.00 C ATOM 458 CD1 LEU A 31 12.078 -10.795 -3.808 1.00 0.00 C ATOM 459 CD2 LEU A 31 12.114 -13.139 -4.647 1.00 0.00 C ATOM 0 H LEU A 31 15.973 -14.473 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 31 16.320 -12.332 -3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.504 -10.866 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.361 -12.243 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 31 12.811 -12.495 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.044 -10.942 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.562 -10.086 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.098 -10.403 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.082 -13.257 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.128 -12.794 -5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.629 -14.097 -4.578 1.00 0.00 H new ATOM 471 N VAL A 32 14.402 -11.403 -1.495 1.00 0.00 N ATOM 472 CA VAL A 32 14.230 -11.032 -0.091 1.00 0.00 C ATOM 473 C VAL A 32 13.172 -11.918 0.569 1.00 0.00 C ATOM 474 O VAL A 32 12.341 -12.517 -0.112 1.00 0.00 O ATOM 475 CB VAL A 32 13.854 -9.531 0.068 1.00 0.00 C ATOM 476 CG1 VAL A 32 12.944 -9.062 -1.057 1.00 0.00 C ATOM 477 CG2 VAL A 32 13.214 -9.256 1.417 1.00 0.00 C ATOM 0 H VAL A 32 13.828 -10.865 -2.144 1.00 0.00 H new ATOM 0 HA VAL A 32 15.186 -11.187 0.409 1.00 0.00 H new ATOM 0 HB VAL A 32 14.783 -8.963 0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.702 -8.009 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.451 -9.191 -2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.026 -9.650 -1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.965 -8.198 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.306 -9.851 1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.911 -9.522 2.211 1.00 0.00 H new ATOM 487 N SER A 33 13.206 -11.998 1.898 1.00 0.00 N ATOM 488 CA SER A 33 12.246 -12.810 2.640 1.00 0.00 C ATOM 489 C SER A 33 10.909 -12.089 2.777 1.00 0.00 C ATOM 490 O SER A 33 10.776 -10.925 2.407 1.00 0.00 O ATOM 491 CB SER A 33 12.799 -13.151 4.024 1.00 0.00 C ATOM 492 OG SER A 33 13.092 -11.976 4.761 1.00 0.00 O ATOM 0 H SER A 33 13.887 -11.511 2.481 1.00 0.00 H new ATOM 0 HA SER A 33 12.083 -13.732 2.083 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.074 -13.755 4.570 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.702 -13.753 3.920 1.00 0.00 H new ATOM 0 HG SER A 33 13.442 -12.222 5.643 1.00 0.00 H new ATOM 498 N GLU A 34 9.918 -12.788 3.319 1.00 0.00 N ATOM 499 CA GLU A 34 8.595 -12.208 3.510 1.00 0.00 C ATOM 500 C GLU A 34 8.613 -11.188 4.642 1.00 0.00 C ATOM 501 O GLU A 34 7.866 -10.212 4.625 1.00 0.00 O ATOM 502 CB GLU A 34 7.570 -13.304 3.808 1.00 0.00 C ATOM 503 CG GLU A 34 7.902 -14.130 5.041 1.00 0.00 C ATOM 504 CD GLU A 34 6.883 -15.220 5.303 1.00 0.00 C ATOM 505 OE1 GLU A 34 6.437 -15.862 4.330 1.00 0.00 O ATOM 506 OE2 GLU A 34 6.531 -15.432 6.483 1.00 0.00 O ATOM 0 H GLU A 34 10.006 -13.755 3.633 1.00 0.00 H new ATOM 0 HA GLU A 34 8.310 -11.700 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.590 -12.846 3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.498 -13.967 2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.887 -14.580 4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.958 -13.474 5.909 1.00 0.00 H new ATOM 513 N GLU A 35 9.470 -11.430 5.627 1.00 0.00 N ATOM 514 CA GLU A 35 9.587 -10.543 6.776 1.00 0.00 C ATOM 515 C GLU A 35 10.114 -9.166 6.376 1.00 0.00 C ATOM 516 O GLU A 35 9.700 -8.157 6.945 1.00 0.00 O ATOM 517 CB GLU A 35 10.503 -11.164 7.832 1.00 0.00 C ATOM 518 CG GLU A 35 10.321 -10.572 9.218 1.00 0.00 C ATOM 519 CD GLU A 35 11.640 -10.325 9.924 1.00 0.00 C ATOM 520 OE1 GLU A 35 12.333 -11.312 10.252 1.00 0.00 O ATOM 521 OE2 GLU A 35 11.981 -9.144 10.150 1.00 0.00 O ATOM 0 H GLU A 35 10.095 -12.236 5.652 1.00 0.00 H new ATOM 0 HA GLU A 35 8.588 -10.411 7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.317 -12.237 7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.540 -11.033 7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.774 -9.633 9.139 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.712 -11.246 9.820 1.00 0.00 H new ATOM 528 N ASP A 36 11.017 -9.114 5.397 1.00 0.00 N ATOM 529 CA ASP A 36 11.558 -7.835 4.960 1.00 0.00 C ATOM 530 C ASP A 36 10.548 -7.106 4.084 1.00 0.00 C ATOM 531 O ASP A 36 10.284 -5.921 4.276 1.00 0.00 O ATOM 532 CB ASP A 36 12.874 -8.036 4.213 1.00 0.00 C ATOM 533 CG ASP A 36 14.081 -7.757 5.087 1.00 0.00 C ATOM 534 OD1 ASP A 36 14.566 -8.698 5.748 1.00 0.00 O ATOM 535 OD2 ASP A 36 14.542 -6.596 5.109 1.00 0.00 O ATOM 0 H ASP A 36 11.381 -9.928 4.902 1.00 0.00 H new ATOM 0 HA ASP A 36 11.757 -7.223 5.840 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.926 -9.060 3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.899 -7.380 3.343 1.00 0.00 H new ATOM 540 N MET A 37 9.973 -7.834 3.135 1.00 0.00 N ATOM 541 CA MET A 37 8.973 -7.260 2.242 1.00 0.00 C ATOM 542 C MET A 37 7.779 -6.773 3.056 1.00 0.00 C ATOM 543 O MET A 37 7.334 -5.634 2.915 1.00 0.00 O ATOM 544 CB MET A 37 8.521 -8.293 1.208 1.00 0.00 C ATOM 545 CG MET A 37 7.584 -7.729 0.152 1.00 0.00 C ATOM 546 SD MET A 37 8.444 -7.271 -1.364 1.00 0.00 S ATOM 547 CE MET A 37 8.435 -5.486 -1.234 1.00 0.00 C ATOM 0 H MET A 37 10.180 -8.818 2.964 1.00 0.00 H new ATOM 0 HA MET A 37 9.415 -6.416 1.712 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.400 -8.711 0.716 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.023 -9.115 1.722 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.816 -8.468 -0.079 1.00 0.00 H new ATOM 0 HG3 MET A 37 7.074 -6.854 0.554 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.039 -5.060 -2.035 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.412 -5.120 -1.318 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.849 -5.189 -0.270 1.00 0.00 H new ATOM 557 N VAL A 38 7.277 -7.649 3.921 1.00 0.00 N ATOM 558 CA VAL A 38 6.149 -7.331 4.783 1.00 0.00 C ATOM 559 C VAL A 38 6.452 -6.100 5.637 1.00 0.00 C ATOM 560 O VAL A 38 5.640 -5.180 5.727 1.00 0.00 O ATOM 561 CB VAL A 38 5.807 -8.536 5.693 1.00 0.00 C ATOM 562 CG1 VAL A 38 5.039 -8.112 6.937 1.00 0.00 C ATOM 563 CG2 VAL A 38 5.027 -9.583 4.913 1.00 0.00 C ATOM 0 H VAL A 38 7.640 -8.594 4.042 1.00 0.00 H new ATOM 0 HA VAL A 38 5.289 -7.112 4.150 1.00 0.00 H new ATOM 0 HB VAL A 38 6.748 -8.971 6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.820 -8.989 7.546 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.641 -7.410 7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.105 -7.633 6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.794 -10.424 5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.101 -9.145 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.627 -9.932 4.072 1.00 0.00 H new ATOM 573 N THR A 39 7.628 -6.091 6.261 1.00 0.00 N ATOM 574 CA THR A 39 8.034 -4.973 7.105 1.00 0.00 C ATOM 575 C THR A 39 8.177 -3.695 6.281 1.00 0.00 C ATOM 576 O THR A 39 7.814 -2.606 6.735 1.00 0.00 O ATOM 577 CB THR A 39 9.352 -5.291 7.815 1.00 0.00 C ATOM 578 OG1 THR A 39 9.212 -6.437 8.636 1.00 0.00 O ATOM 579 CG2 THR A 39 9.852 -4.162 8.690 1.00 0.00 C ATOM 0 H THR A 39 8.314 -6.844 6.198 1.00 0.00 H new ATOM 0 HA THR A 39 7.259 -4.815 7.855 1.00 0.00 H new ATOM 0 HB THR A 39 10.076 -5.458 7.017 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.658 -7.200 8.212 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.789 -4.456 9.162 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.016 -3.274 8.080 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.111 -3.942 9.459 1.00 0.00 H new ATOM 587 N VAL A 40 8.692 -3.834 5.063 1.00 0.00 N ATOM 588 CA VAL A 40 8.864 -2.689 4.180 1.00 0.00 C ATOM 589 C VAL A 40 7.506 -2.149 3.747 1.00 0.00 C ATOM 590 O VAL A 40 7.301 -0.938 3.670 1.00 0.00 O ATOM 591 CB VAL A 40 9.697 -3.052 2.932 1.00 0.00 C ATOM 592 CG1 VAL A 40 9.791 -1.868 1.979 1.00 0.00 C ATOM 593 CG2 VAL A 40 11.086 -3.523 3.337 1.00 0.00 C ATOM 0 H VAL A 40 8.996 -4.724 4.668 1.00 0.00 H new ATOM 0 HA VAL A 40 9.403 -1.923 4.738 1.00 0.00 H new ATOM 0 HB VAL A 40 9.193 -3.867 2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.383 -2.148 1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.790 -1.577 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.268 -1.029 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.659 -3.775 2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.595 -2.729 3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.000 -4.404 3.974 1.00 0.00 H new ATOM 603 N VAL A 41 6.579 -3.061 3.477 1.00 0.00 N ATOM 604 CA VAL A 41 5.235 -2.687 3.066 1.00 0.00 C ATOM 605 C VAL A 41 4.527 -1.935 4.192 1.00 0.00 C ATOM 606 O VAL A 41 3.829 -0.947 3.953 1.00 0.00 O ATOM 607 CB VAL A 41 4.416 -3.937 2.667 1.00 0.00 C ATOM 608 CG1 VAL A 41 2.932 -3.622 2.563 1.00 0.00 C ATOM 609 CG2 VAL A 41 4.931 -4.511 1.357 1.00 0.00 C ATOM 0 H VAL A 41 6.736 -4.067 3.536 1.00 0.00 H new ATOM 0 HA VAL A 41 5.313 -2.033 2.197 1.00 0.00 H new ATOM 0 HB VAL A 41 4.542 -4.682 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.388 -4.523 2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.568 -3.264 3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.776 -2.852 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.345 -5.390 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.841 -3.761 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.978 -4.794 1.470 1.00 0.00 H new ATOM 619 N GLU A 42 4.724 -2.405 5.421 1.00 0.00 N ATOM 620 CA GLU A 42 4.116 -1.782 6.589 1.00 0.00 C ATOM 621 C GLU A 42 4.621 -0.355 6.774 1.00 0.00 C ATOM 622 O GLU A 42 3.839 0.562 7.027 1.00 0.00 O ATOM 623 CB GLU A 42 4.412 -2.609 7.842 1.00 0.00 C ATOM 624 CG GLU A 42 3.167 -2.981 8.626 1.00 0.00 C ATOM 625 CD GLU A 42 3.036 -2.201 9.921 1.00 0.00 C ATOM 626 OE1 GLU A 42 3.966 -2.269 10.751 1.00 0.00 O ATOM 627 OE2 GLU A 42 2.004 -1.522 10.102 1.00 0.00 O ATOM 0 H GLU A 42 5.302 -3.218 5.632 1.00 0.00 H new ATOM 0 HA GLU A 42 3.038 -1.745 6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.935 -3.520 7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.085 -2.047 8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.287 -2.802 8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.188 -4.048 8.850 1.00 0.00 H new ATOM 634 N ASP A 43 5.930 -0.169 6.641 1.00 0.00 N ATOM 635 CA ASP A 43 6.519 1.157 6.789 1.00 0.00 C ATOM 636 C ASP A 43 5.989 2.092 5.703 1.00 0.00 C ATOM 637 O ASP A 43 5.747 3.274 5.944 1.00 0.00 O ATOM 638 CB ASP A 43 8.054 1.075 6.744 1.00 0.00 C ATOM 639 CG ASP A 43 8.626 1.234 5.344 1.00 0.00 C ATOM 640 OD1 ASP A 43 8.538 2.350 4.790 1.00 0.00 O ATOM 641 OD2 ASP A 43 9.162 0.244 4.806 1.00 0.00 O ATOM 0 H ASP A 43 6.598 -0.912 6.433 1.00 0.00 H new ATOM 0 HA ASP A 43 6.233 1.562 7.760 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.471 1.849 7.389 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.371 0.115 7.151 1.00 0.00 H new ATOM 646 N TRP A 44 5.830 1.545 4.506 1.00 0.00 N ATOM 647 CA TRP A 44 5.348 2.315 3.364 1.00 0.00 C ATOM 648 C TRP A 44 3.950 2.885 3.613 1.00 0.00 C ATOM 649 O TRP A 44 3.701 4.073 3.386 1.00 0.00 O ATOM 650 CB TRP A 44 5.334 1.437 2.112 1.00 0.00 C ATOM 651 CG TRP A 44 6.692 1.231 1.511 1.00 0.00 C ATOM 652 CD1 TRP A 44 7.832 1.925 1.801 1.00 0.00 C ATOM 653 CD2 TRP A 44 7.051 0.266 0.515 1.00 0.00 C ATOM 654 NE1 TRP A 44 8.878 1.450 1.046 1.00 0.00 N ATOM 655 CE2 TRP A 44 8.424 0.432 0.249 1.00 0.00 C ATOM 656 CE3 TRP A 44 6.345 -0.723 -0.176 1.00 0.00 C ATOM 657 CZ2 TRP A 44 9.102 -0.354 -0.679 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.020 -1.502 -1.097 1.00 0.00 C ATOM 659 CH2 TRP A 44 8.386 -1.314 -1.341 1.00 0.00 C ATOM 0 H TRP A 44 6.028 0.566 4.298 1.00 0.00 H new ATOM 0 HA TRP A 44 6.029 3.153 3.218 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.906 0.467 2.363 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.681 1.891 1.367 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.902 2.729 2.518 1.00 0.00 H new ATOM 0 HE1 TRP A 44 9.836 1.799 1.074 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.292 -0.876 0.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.155 -0.211 -0.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.485 -2.269 -1.638 1.00 0.00 H new ATOM 0 HH2 TRP A 44 8.885 -1.940 -2.067 1.00 0.00 H new ATOM 670 N MET A 45 3.042 2.036 4.083 1.00 0.00 N ATOM 671 CA MET A 45 1.672 2.465 4.352 1.00 0.00 C ATOM 672 C MET A 45 1.589 3.386 5.568 1.00 0.00 C ATOM 673 O MET A 45 0.797 4.329 5.584 1.00 0.00 O ATOM 674 CB MET A 45 0.758 1.254 4.551 1.00 0.00 C ATOM 675 CG MET A 45 1.298 0.234 5.538 1.00 0.00 C ATOM 676 SD MET A 45 0.017 -0.864 6.173 1.00 0.00 S ATOM 677 CE MET A 45 -0.141 -2.020 4.814 1.00 0.00 C ATOM 0 H MET A 45 3.227 1.053 4.285 1.00 0.00 H new ATOM 0 HA MET A 45 1.336 3.030 3.483 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.217 1.599 4.896 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.601 0.767 3.589 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.073 -0.360 5.053 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.770 0.755 6.371 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.061 -2.593 4.929 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.170 -1.472 3.872 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.712 -2.699 4.813 1.00 0.00 H new ATOM 687 N ASN A 46 2.392 3.108 6.589 1.00 0.00 N ATOM 688 CA ASN A 46 2.377 3.917 7.804 1.00 0.00 C ATOM 689 C ASN A 46 2.965 5.308 7.560 1.00 0.00 C ATOM 690 O ASN A 46 2.496 6.295 8.135 1.00 0.00 O ATOM 691 CB ASN A 46 3.113 3.189 8.943 1.00 0.00 C ATOM 692 CG ASN A 46 4.393 3.880 9.381 1.00 0.00 C ATOM 693 OD1 ASN A 46 4.449 4.497 10.445 1.00 0.00 O ATOM 694 ND2 ASN A 46 5.427 3.780 8.557 1.00 0.00 N ATOM 0 H ASN A 46 3.057 2.335 6.601 1.00 0.00 H new ATOM 0 HA ASN A 46 1.338 4.057 8.104 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.445 3.104 9.800 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.350 2.175 8.621 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.314 4.225 8.795 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.336 3.258 7.685 1.00 0.00 H new ATOM 701 N PHE A 47 3.976 5.406 6.702 1.00 0.00 N ATOM 702 CA PHE A 47 4.559 6.708 6.414 1.00 0.00 C ATOM 703 C PHE A 47 3.600 7.507 5.556 1.00 0.00 C ATOM 704 O PHE A 47 3.434 8.704 5.757 1.00 0.00 O ATOM 705 CB PHE A 47 5.943 6.590 5.747 1.00 0.00 C ATOM 706 CG PHE A 47 5.938 6.564 4.235 1.00 0.00 C ATOM 707 CD1 PHE A 47 5.532 7.667 3.485 1.00 0.00 C ATOM 708 CD2 PHE A 47 6.354 5.429 3.567 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.544 7.622 2.103 1.00 0.00 C ATOM 710 CE2 PHE A 47 6.369 5.381 2.185 1.00 0.00 C ATOM 711 CZ PHE A 47 5.962 6.478 1.454 1.00 0.00 C ATOM 0 H PHE A 47 4.398 4.621 6.206 1.00 0.00 H new ATOM 0 HA PHE A 47 4.719 7.230 7.357 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.558 7.427 6.076 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.424 5.680 6.107 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.205 8.565 3.988 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.672 4.566 4.133 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.226 8.482 1.532 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.699 4.486 1.679 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.970 6.442 0.375 1.00 0.00 H new ATOM 721 N TYR A 48 2.960 6.834 4.603 1.00 0.00 N ATOM 722 CA TYR A 48 2.007 7.500 3.728 1.00 0.00 C ATOM 723 C TYR A 48 0.831 8.050 4.530 1.00 0.00 C ATOM 724 O TYR A 48 0.363 9.159 4.274 1.00 0.00 O ATOM 725 CB TYR A 48 1.507 6.536 2.650 1.00 0.00 C ATOM 726 CG TYR A 48 2.242 6.668 1.336 1.00 0.00 C ATOM 727 CD1 TYR A 48 2.217 7.860 0.622 1.00 0.00 C ATOM 728 CD2 TYR A 48 2.963 5.603 0.811 1.00 0.00 C ATOM 729 CE1 TYR A 48 2.890 7.987 -0.579 1.00 0.00 C ATOM 730 CE2 TYR A 48 3.639 5.722 -0.389 1.00 0.00 C ATOM 731 CZ TYR A 48 3.599 6.916 -1.080 1.00 0.00 C ATOM 732 OH TYR A 48 4.270 7.037 -2.274 1.00 0.00 O ATOM 0 H TYR A 48 3.084 5.838 4.420 1.00 0.00 H new ATOM 0 HA TYR A 48 2.515 8.334 3.244 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.608 5.513 3.013 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.444 6.711 2.482 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.663 8.701 1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.996 4.667 1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.860 8.920 -1.122 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.196 4.885 -0.784 1.00 0.00 H new ATOM 0 HH TYR A 48 4.719 6.192 -2.484 1.00 0.00 H new ATOM 742 N ILE A 49 0.354 7.273 5.500 1.00 0.00 N ATOM 743 CA ILE A 49 -0.768 7.702 6.325 1.00 0.00 C ATOM 744 C ILE A 49 -0.399 8.924 7.169 1.00 0.00 C ATOM 745 O ILE A 49 -1.110 9.931 7.167 1.00 0.00 O ATOM 746 CB ILE A 49 -1.283 6.566 7.243 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.566 7.001 7.948 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.236 6.154 8.259 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.333 5.855 8.571 1.00 0.00 C ATOM 0 H ILE A 49 0.724 6.351 5.731 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.572 7.974 5.640 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.496 5.699 6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.317 7.725 8.724 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.210 7.511 7.231 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.632 5.355 8.886 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.655 5.800 7.740 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.023 7.010 8.882 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.232 6.239 9.054 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.613 5.141 7.796 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.707 5.359 9.312 1.00 0.00 H new ATOM 761 N ASN A 50 0.722 8.837 7.881 1.00 0.00 N ATOM 762 CA ASN A 50 1.178 9.943 8.718 1.00 0.00 C ATOM 763 C ASN A 50 1.605 11.130 7.859 1.00 0.00 C ATOM 764 O ASN A 50 1.478 12.285 8.264 1.00 0.00 O ATOM 765 CB ASN A 50 2.341 9.493 9.605 1.00 0.00 C ATOM 766 CG ASN A 50 2.225 10.019 11.023 1.00 0.00 C ATOM 767 OD1 ASN A 50 2.424 11.207 11.275 1.00 0.00 O ATOM 768 ND2 ASN A 50 1.903 9.133 11.958 1.00 0.00 N ATOM 0 H ASN A 50 1.328 8.017 7.895 1.00 0.00 H new ATOM 0 HA ASN A 50 0.349 10.255 9.353 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.378 8.404 9.626 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.280 9.835 9.169 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.812 9.428 12.930 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.747 8.158 11.704 1.00 0.00 H new ATOM 775 N TYR A 51 2.113 10.828 6.671 1.00 0.00 N ATOM 776 CA TYR A 51 2.569 11.849 5.736 1.00 0.00 C ATOM 777 C TYR A 51 1.380 12.582 5.118 1.00 0.00 C ATOM 778 O TYR A 51 1.408 13.801 4.955 1.00 0.00 O ATOM 779 CB TYR A 51 3.439 11.184 4.665 1.00 0.00 C ATOM 780 CG TYR A 51 3.576 11.944 3.367 1.00 0.00 C ATOM 781 CD1 TYR A 51 3.602 13.333 3.329 1.00 0.00 C ATOM 782 CD2 TYR A 51 3.690 11.252 2.173 1.00 0.00 C ATOM 783 CE1 TYR A 51 3.735 14.006 2.130 1.00 0.00 C ATOM 784 CE2 TYR A 51 3.825 11.913 0.975 1.00 0.00 C ATOM 785 CZ TYR A 51 3.848 13.292 0.954 1.00 0.00 C ATOM 786 OH TYR A 51 3.982 13.957 -0.243 1.00 0.00 O ATOM 0 H TYR A 51 2.220 9.873 6.329 1.00 0.00 H new ATOM 0 HA TYR A 51 3.165 12.595 6.262 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.435 11.026 5.079 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.025 10.200 4.446 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.517 13.893 4.248 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.673 10.172 2.183 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.751 15.086 2.113 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.913 11.355 0.054 1.00 0.00 H new ATOM 0 HH TYR A 51 4.050 13.306 -0.973 1.00 0.00 H new ATOM 796 N TYR A 52 0.336 11.833 4.787 1.00 0.00 N ATOM 797 CA TYR A 52 -0.864 12.416 4.199 1.00 0.00 C ATOM 798 C TYR A 52 -1.676 13.165 5.250 1.00 0.00 C ATOM 799 O TYR A 52 -2.434 14.079 4.926 1.00 0.00 O ATOM 800 CB TYR A 52 -1.731 11.328 3.566 1.00 0.00 C ATOM 801 CG TYR A 52 -1.562 11.193 2.069 1.00 0.00 C ATOM 802 CD1 TYR A 52 -2.175 12.080 1.190 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.806 10.160 1.531 1.00 0.00 C ATOM 804 CE1 TYR A 52 -2.038 11.937 -0.177 1.00 0.00 C ATOM 805 CE2 TYR A 52 -0.661 10.015 0.166 1.00 0.00 C ATOM 806 CZ TYR A 52 -1.281 10.905 -0.682 1.00 0.00 C ATOM 807 OH TYR A 52 -1.145 10.762 -2.041 1.00 0.00 O ATOM 0 H TYR A 52 0.295 10.822 4.915 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.550 13.120 3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.495 10.373 4.035 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.778 11.540 3.784 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.767 12.893 1.583 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.322 9.457 2.193 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.523 12.632 -0.846 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.065 9.208 -0.234 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.008 11.642 -2.450 1.00 0.00 H new ATOM 817 N ARG A 53 -1.521 12.768 6.509 1.00 0.00 N ATOM 818 CA ARG A 53 -2.252 13.402 7.599 1.00 0.00 C ATOM 819 C ARG A 53 -1.711 14.798 7.908 1.00 0.00 C ATOM 820 O ARG A 53 -2.399 15.607 8.531 1.00 0.00 O ATOM 821 CB ARG A 53 -2.195 12.530 8.855 1.00 0.00 C ATOM 822 CG ARG A 53 -3.531 12.414 9.569 1.00 0.00 C ATOM 823 CD ARG A 53 -3.361 11.957 11.009 1.00 0.00 C ATOM 824 NE ARG A 53 -3.597 10.522 11.158 1.00 0.00 N ATOM 825 CZ ARG A 53 -4.101 9.959 12.255 1.00 0.00 C ATOM 826 NH1 ARG A 53 -4.416 10.700 13.311 1.00 0.00 N ATOM 827 NH2 ARG A 53 -4.289 8.647 12.296 1.00 0.00 N ATOM 0 H ARG A 53 -0.899 12.014 6.798 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.289 13.508 7.279 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.850 11.533 8.581 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.458 12.944 9.543 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.038 13.379 9.551 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.168 11.708 9.036 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.353 12.196 11.349 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.052 12.507 11.648 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.361 9.914 10.373 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.273 11.710 13.287 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.801 10.260 14.146 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.048 8.072 11.489 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.675 8.213 13.135 1.00 0.00 H new ATOM 841 N GLN A 54 -0.475 15.076 7.496 1.00 0.00 N ATOM 842 CA GLN A 54 0.143 16.369 7.755 1.00 0.00 C ATOM 843 C GLN A 54 -0.300 17.407 6.734 1.00 0.00 C ATOM 844 O GLN A 54 -0.498 18.573 7.076 1.00 0.00 O ATOM 845 CB GLN A 54 1.667 16.241 7.735 1.00 0.00 C ATOM 846 CG GLN A 54 2.237 15.576 8.976 1.00 0.00 C ATOM 847 CD GLN A 54 3.704 15.897 9.186 1.00 0.00 C ATOM 848 OE1 GLN A 54 4.105 17.060 9.166 1.00 0.00 O ATOM 849 NE2 GLN A 54 4.512 14.864 9.390 1.00 0.00 N ATOM 0 H GLN A 54 0.115 14.422 6.982 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.179 16.701 8.742 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.964 15.668 6.857 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.105 17.233 7.631 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.670 15.897 9.849 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.113 14.496 8.895 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.136 13.916 9.398 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.509 15.018 9.538 1.00 0.00 H new ATOM 858 N GLN A 55 -0.469 16.986 5.483 1.00 0.00 N ATOM 859 CA GLN A 55 -0.906 17.900 4.431 1.00 0.00 C ATOM 860 C GLN A 55 -2.410 18.135 4.524 1.00 0.00 C ATOM 861 O GLN A 55 -3.147 17.930 3.559 1.00 0.00 O ATOM 862 CB GLN A 55 -0.539 17.356 3.041 1.00 0.00 C ATOM 863 CG GLN A 55 -0.720 15.856 2.879 1.00 0.00 C ATOM 864 CD GLN A 55 0.588 15.140 2.599 1.00 0.00 C ATOM 865 OE1 GLN A 55 1.626 15.478 3.166 1.00 0.00 O ATOM 866 NE2 GLN A 55 0.544 14.149 1.715 1.00 0.00 N ATOM 0 H GLN A 55 -0.312 16.027 5.175 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.390 18.850 4.573 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.148 17.865 2.294 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.500 17.608 2.830 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.167 15.447 3.785 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.418 15.663 2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.339 13.903 1.269 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.394 13.635 1.483 1.00 0.00 H new ATOM 927 N PRO A 60 -12.035 18.150 8.427 1.00 0.00 N ATOM 928 CA PRO A 60 -12.225 16.737 8.742 1.00 0.00 C ATOM 929 C PRO A 60 -12.471 15.906 7.494 1.00 0.00 C ATOM 930 O PRO A 60 -11.837 14.876 7.295 1.00 0.00 O ATOM 931 CB PRO A 60 -13.456 16.719 9.665 1.00 0.00 C ATOM 932 CG PRO A 60 -13.973 18.123 9.688 1.00 0.00 C ATOM 933 CD PRO A 60 -12.817 19.008 9.323 1.00 0.00 C ATOM 0 HA PRO A 60 -11.340 16.302 9.207 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -14.214 16.030 9.292 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -13.188 16.385 10.667 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -14.794 18.246 8.982 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -14.360 18.378 10.674 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -13.145 19.921 8.827 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.244 19.310 10.200 1.00 0.00 H new ATOM 941 N GLN A 61 -13.390 16.355 6.653 1.00 0.00 N ATOM 942 CA GLN A 61 -13.699 15.641 5.425 1.00 0.00 C ATOM 943 C GLN A 61 -12.445 15.448 4.577 1.00 0.00 C ATOM 944 O GLN A 61 -12.314 14.452 3.874 1.00 0.00 O ATOM 945 CB GLN A 61 -14.760 16.397 4.623 1.00 0.00 C ATOM 946 CG GLN A 61 -16.007 16.733 5.426 1.00 0.00 C ATOM 947 CD GLN A 61 -17.198 15.878 5.039 1.00 0.00 C ATOM 948 OE1 GLN A 61 -17.629 15.011 5.800 1.00 0.00 O ATOM 949 NE2 GLN A 61 -17.737 16.119 3.849 1.00 0.00 N ATOM 0 H GLN A 61 -13.932 17.207 6.798 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.089 14.659 5.694 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -14.325 17.320 4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -15.045 15.797 3.759 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -15.798 16.599 6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -16.256 17.784 5.280 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -17.347 16.847 3.251 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -18.541 15.576 3.534 1.00 0.00 H new ATOM 958 N GLU A 62 -11.534 16.413 4.634 1.00 0.00 N ATOM 959 CA GLU A 62 -10.305 16.345 3.848 1.00 0.00 C ATOM 960 C GLU A 62 -9.364 15.246 4.350 1.00 0.00 C ATOM 961 O GLU A 62 -8.864 14.435 3.559 1.00 0.00 O ATOM 962 CB GLU A 62 -9.598 17.703 3.894 1.00 0.00 C ATOM 963 CG GLU A 62 -8.308 17.756 3.097 1.00 0.00 C ATOM 964 CD GLU A 62 -7.461 18.967 3.446 1.00 0.00 C ATOM 965 OE1 GLU A 62 -7.798 19.666 4.425 1.00 0.00 O ATOM 966 OE2 GLU A 62 -6.462 19.214 2.740 1.00 0.00 O ATOM 0 H GLU A 62 -11.621 17.248 5.213 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.574 16.098 2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.277 18.467 3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.382 17.953 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.733 16.849 3.281 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.542 17.774 2.033 1.00 0.00 H new ATOM 973 N ARG A 63 -9.138 15.195 5.663 1.00 0.00 N ATOM 974 CA ARG A 63 -8.262 14.168 6.230 1.00 0.00 C ATOM 975 C ARG A 63 -8.979 12.830 6.257 1.00 0.00 C ATOM 976 O ARG A 63 -8.438 11.822 5.837 1.00 0.00 O ATOM 977 CB ARG A 63 -7.763 14.518 7.646 1.00 0.00 C ATOM 978 CG ARG A 63 -8.567 15.583 8.383 1.00 0.00 C ATOM 979 CD ARG A 63 -7.825 16.912 8.414 1.00 0.00 C ATOM 980 NE ARG A 63 -7.732 17.466 9.760 1.00 0.00 N ATOM 981 CZ ARG A 63 -7.136 16.851 10.780 1.00 0.00 C ATOM 982 NH1 ARG A 63 -6.555 15.669 10.607 1.00 0.00 N ATOM 983 NH2 ARG A 63 -7.111 17.424 11.976 1.00 0.00 N ATOM 0 H ARG A 63 -9.540 15.839 6.344 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.385 14.113 5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.762 13.608 8.247 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.728 14.854 7.575 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.533 15.715 7.896 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.766 15.251 9.402 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.822 16.774 8.011 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.334 17.625 7.765 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.149 18.381 9.931 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.563 15.226 9.688 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.101 15.204 11.393 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.548 18.335 12.114 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.655 16.953 12.758 1.00 0.00 H new ATOM 997 N ASP A 64 -10.193 12.846 6.768 1.00 0.00 N ATOM 998 CA ASP A 64 -11.019 11.650 6.877 1.00 0.00 C ATOM 999 C ASP A 64 -11.329 11.034 5.514 1.00 0.00 C ATOM 1000 O ASP A 64 -11.449 9.809 5.393 1.00 0.00 O ATOM 1001 CB ASP A 64 -12.322 11.967 7.613 1.00 0.00 C ATOM 1002 CG ASP A 64 -12.972 10.728 8.195 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -12.659 10.382 9.352 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -13.796 10.104 7.492 1.00 0.00 O ATOM 0 H ASP A 64 -10.641 13.691 7.123 1.00 0.00 H new ATOM 0 HA ASP A 64 -10.447 10.918 7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.120 12.678 8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.017 12.450 6.925 1.00 0.00 H new ATOM 1009 N LYS A 65 -11.428 11.865 4.480 1.00 0.00 N ATOM 1010 CA LYS A 65 -11.699 11.354 3.144 1.00 0.00 C ATOM 1011 C LYS A 65 -10.442 10.742 2.558 1.00 0.00 C ATOM 1012 O LYS A 65 -10.460 9.611 2.075 1.00 0.00 O ATOM 1013 CB LYS A 65 -12.229 12.451 2.223 1.00 0.00 C ATOM 1014 CG LYS A 65 -12.504 11.973 0.806 1.00 0.00 C ATOM 1015 CD LYS A 65 -12.097 13.016 -0.225 1.00 0.00 C ATOM 1016 CE LYS A 65 -13.275 13.437 -1.090 1.00 0.00 C ATOM 1017 NZ LYS A 65 -13.135 14.837 -1.577 1.00 0.00 N ATOM 0 H LYS A 65 -11.326 12.878 4.541 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.469 10.587 3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.148 12.857 2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.507 13.266 2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.960 11.047 0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.565 11.747 0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.687 13.889 0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.306 12.614 -0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.358 12.763 -1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.198 13.343 -0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.958 15.085 -2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.081 15.484 -0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.268 14.922 -2.145 1.00 0.00 H new ATOM 1031 N ALA A 66 -9.342 11.480 2.619 1.00 0.00 N ATOM 1032 CA ALA A 66 -8.084 10.969 2.107 1.00 0.00 C ATOM 1033 C ALA A 66 -7.656 9.758 2.924 1.00 0.00 C ATOM 1034 O ALA A 66 -7.100 8.797 2.393 1.00 0.00 O ATOM 1035 CB ALA A 66 -7.011 12.047 2.146 1.00 0.00 C ATOM 0 H ALA A 66 -9.297 12.420 3.012 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.220 10.668 1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.076 11.644 1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.323 12.893 1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.865 12.378 3.174 1.00 0.00 H new ATOM 1041 N LEU A 67 -7.904 9.830 4.227 1.00 0.00 N ATOM 1042 CA LEU A 67 -7.534 8.766 5.143 1.00 0.00 C ATOM 1043 C LEU A 67 -8.243 7.462 4.821 1.00 0.00 C ATOM 1044 O LEU A 67 -7.599 6.412 4.803 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.810 9.179 6.596 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.633 9.832 7.351 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.470 10.150 6.418 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -7.088 11.096 8.064 1.00 0.00 C ATOM 0 H LEU A 67 -8.364 10.624 4.673 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.464 8.596 5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.649 9.874 6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.125 8.295 7.150 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.284 9.111 8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.662 10.608 6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.112 9.230 5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.804 10.839 5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.243 11.541 8.590 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.476 11.806 7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.872 10.848 8.780 1.00 0.00 H new ATOM 1060 N GLN A 68 -9.555 7.485 4.560 1.00 0.00 N ATOM 1061 CA GLN A 68 -10.257 6.248 4.245 1.00 0.00 C ATOM 1062 C GLN A 68 -9.951 5.793 2.823 1.00 0.00 C ATOM 1063 O GLN A 68 -9.680 4.617 2.587 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.768 6.428 4.426 1.00 0.00 C ATOM 1065 CG GLN A 68 -12.380 7.475 3.506 1.00 0.00 C ATOM 1066 CD GLN A 68 -12.821 6.896 2.175 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -12.554 5.733 1.872 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -13.500 7.708 1.372 1.00 0.00 N ATOM 0 H GLN A 68 -10.134 8.325 4.561 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.908 5.479 4.934 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.261 5.472 4.251 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.969 6.706 5.461 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.237 7.932 4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.653 8.268 3.330 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.699 8.665 1.664 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.822 7.375 0.464 1.00 0.00 H new ATOM 1077 N GLU A 69 -10.011 6.724 1.875 1.00 0.00 N ATOM 1078 CA GLU A 69 -9.752 6.396 0.480 1.00 0.00 C ATOM 1079 C GLU A 69 -8.334 5.882 0.311 1.00 0.00 C ATOM 1080 O GLU A 69 -8.099 4.910 -0.405 1.00 0.00 O ATOM 1081 CB GLU A 69 -9.977 7.620 -0.411 1.00 0.00 C ATOM 1082 CG GLU A 69 -11.361 7.671 -1.037 1.00 0.00 C ATOM 1083 CD GLU A 69 -11.381 7.120 -2.450 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -10.607 7.620 -3.294 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -12.171 6.189 -2.713 1.00 0.00 O ATOM 0 H GLU A 69 -10.235 7.704 2.047 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.447 5.613 0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.821 8.523 0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.229 7.625 -1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.057 7.103 -0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.713 8.702 -1.048 1.00 0.00 H new ATOM 1092 N LEU A 70 -7.391 6.518 0.992 1.00 0.00 N ATOM 1093 CA LEU A 70 -6.007 6.083 0.922 1.00 0.00 C ATOM 1094 C LEU A 70 -5.900 4.701 1.546 1.00 0.00 C ATOM 1095 O LEU A 70 -5.318 3.784 0.969 1.00 0.00 O ATOM 1096 CB LEU A 70 -5.101 7.076 1.655 1.00 0.00 C ATOM 1097 CG LEU A 70 -3.602 6.805 1.536 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -2.811 8.029 1.966 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -3.208 5.597 2.371 1.00 0.00 C ATOM 0 H LEU A 70 -7.557 7.326 1.591 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.684 6.040 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.304 8.077 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.370 7.077 2.711 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.371 6.589 0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.744 7.823 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.072 8.873 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.048 8.270 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.137 5.421 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.451 5.783 3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.754 4.720 2.022 1.00 0.00 H new ATOM 1111 N ARG A 71 -6.461 4.572 2.743 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.428 3.312 3.475 1.00 0.00 C ATOM 1113 C ARG A 71 -7.003 2.180 2.630 1.00 0.00 C ATOM 1114 O ARG A 71 -6.402 1.111 2.534 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.210 3.444 4.784 1.00 0.00 C ATOM 1116 CG ARG A 71 -7.358 2.135 5.546 1.00 0.00 C ATOM 1117 CD ARG A 71 -8.772 1.583 5.439 1.00 0.00 C ATOM 1118 NE ARG A 71 -9.466 1.602 6.724 1.00 0.00 N ATOM 1119 CZ ARG A 71 -10.776 1.801 6.861 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -11.546 1.989 5.795 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -11.320 1.806 8.070 1.00 0.00 N ATOM 0 H ARG A 71 -6.945 5.327 3.228 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.389 3.074 3.704 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.710 4.171 5.423 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.202 3.841 4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.650 1.404 5.155 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.107 2.293 6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.336 2.169 4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.735 0.561 5.062 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.914 1.454 7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.135 1.982 4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.548 2.141 5.910 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.736 1.658 8.893 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.323 1.958 8.177 1.00 0.00 H new ATOM 1135 N GLN A 72 -8.157 2.410 2.008 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.772 1.390 1.169 1.00 0.00 C ATOM 1137 C GLN A 72 -7.873 1.077 -0.019 1.00 0.00 C ATOM 1138 O GLN A 72 -7.789 -0.066 -0.467 1.00 0.00 O ATOM 1139 CB GLN A 72 -10.145 1.857 0.682 1.00 0.00 C ATOM 1140 CG GLN A 72 -11.049 0.721 0.228 1.00 0.00 C ATOM 1141 CD GLN A 72 -11.527 0.891 -1.202 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -12.457 1.651 -1.471 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -10.892 0.180 -2.127 1.00 0.00 N ATOM 0 H GLN A 72 -8.679 3.284 2.069 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.902 0.484 1.761 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.639 2.405 1.485 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -10.010 2.555 -0.144 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.512 -0.223 0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.912 0.661 0.891 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.126 -0.438 -1.859 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.170 0.252 -3.106 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.194 2.107 -0.517 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.287 1.953 -1.646 1.00 0.00 C ATOM 1154 C GLU A 73 -5.149 1.007 -1.285 1.00 0.00 C ATOM 1155 O GLU A 73 -4.843 0.080 -2.026 1.00 0.00 O ATOM 1156 CB GLU A 73 -5.728 3.316 -2.064 1.00 0.00 C ATOM 1157 CG GLU A 73 -6.075 3.705 -3.492 1.00 0.00 C ATOM 1158 CD GLU A 73 -7.516 4.153 -3.639 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -7.813 5.319 -3.303 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -8.347 3.338 -4.091 1.00 0.00 O ATOM 0 H GLU A 73 -7.256 3.058 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.841 1.529 -2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.110 4.079 -1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.644 3.304 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.414 4.508 -3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.893 2.856 -4.151 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.555 1.233 -0.118 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.474 0.386 0.372 1.00 0.00 C ATOM 1169 C LEU A 74 -4.011 -1.003 0.688 1.00 0.00 C ATOM 1170 O LEU A 74 -3.400 -2.018 0.353 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.837 0.994 1.624 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.154 2.347 1.418 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -1.721 2.933 2.752 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.962 2.204 0.486 1.00 0.00 C ATOM 0 H LEU A 74 -4.805 1.999 0.508 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.712 0.312 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.608 1.107 2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.102 0.291 2.016 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.870 3.029 0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.237 3.896 2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.594 3.071 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.021 2.253 3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.488 3.176 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.244 1.507 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.298 1.826 -0.480 1.00 0.00 H new ATOM 1186 N ASN A 75 -5.156 -1.026 1.362 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.793 -2.273 1.765 1.00 0.00 C ATOM 1188 C ASN A 75 -5.962 -3.212 0.580 1.00 0.00 C ATOM 1189 O ASN A 75 -5.557 -4.373 0.637 1.00 0.00 O ATOM 1190 CB ASN A 75 -7.153 -1.990 2.404 1.00 0.00 C ATOM 1191 CG ASN A 75 -7.497 -2.983 3.497 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -7.601 -4.184 3.249 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -7.676 -2.484 4.714 1.00 0.00 N ATOM 0 H ASN A 75 -5.665 -0.187 1.642 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.147 -2.759 2.496 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.153 -0.982 2.819 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.925 -2.018 1.635 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.910 -3.103 5.490 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.580 -1.481 4.873 1.00 0.00 H new ATOM 1200 N THR A 76 -6.556 -2.713 -0.493 1.00 0.00 N ATOM 1201 CA THR A 76 -6.762 -3.527 -1.682 1.00 0.00 C ATOM 1202 C THR A 76 -5.467 -3.651 -2.480 1.00 0.00 C ATOM 1203 O THR A 76 -5.064 -4.746 -2.848 1.00 0.00 O ATOM 1204 CB THR A 76 -7.861 -2.917 -2.555 1.00 0.00 C ATOM 1205 OG1 THR A 76 -9.089 -2.864 -1.851 1.00 0.00 O ATOM 1206 CG2 THR A 76 -8.104 -3.680 -3.840 1.00 0.00 C ATOM 0 H THR A 76 -6.902 -1.756 -0.566 1.00 0.00 H new ATOM 0 HA THR A 76 -7.071 -4.524 -1.368 1.00 0.00 H new ATOM 0 HB THR A 76 -7.504 -1.919 -2.807 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.778 -2.470 -2.425 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.895 -3.192 -4.409 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.189 -3.697 -4.432 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.403 -4.702 -3.606 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.837 -2.516 -2.764 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.596 -2.499 -3.544 1.00 0.00 C ATOM 1216 C LEU A 77 -2.582 -3.519 -3.023 1.00 0.00 C ATOM 1217 O LEU A 77 -1.997 -4.276 -3.798 1.00 0.00 O ATOM 1218 CB LEU A 77 -2.970 -1.103 -3.519 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.623 -0.079 -4.448 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -3.101 1.318 -4.153 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.375 -0.447 -5.903 1.00 0.00 C ATOM 0 H LEU A 77 -5.161 -1.595 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.856 -2.768 -4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.011 -0.722 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.916 -1.190 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.698 -0.087 -4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.577 2.033 -4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.330 1.581 -3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.022 1.342 -4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.847 0.292 -6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.302 -0.467 -6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.798 -1.431 -6.107 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.357 -3.512 -1.715 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.394 -4.417 -1.088 1.00 0.00 C ATOM 1235 C ALA A 78 -1.909 -5.854 -0.976 1.00 0.00 C ATOM 1236 O ALA A 78 -1.120 -6.792 -0.880 1.00 0.00 O ATOM 1237 CB ALA A 78 -1.008 -3.892 0.286 1.00 0.00 C ATOM 0 H ALA A 78 -2.830 -2.887 -1.062 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.518 -4.447 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.291 -4.571 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.559 -2.904 0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.897 -3.824 0.913 1.00 0.00 H new ATOM 1243 N ASN A 79 -3.228 -6.023 -0.954 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.828 -7.351 -0.812 1.00 0.00 C ATOM 1245 C ASN A 79 -3.283 -8.368 -1.823 1.00 0.00 C ATOM 1246 O ASN A 79 -2.906 -9.477 -1.442 1.00 0.00 O ATOM 1247 CB ASN A 79 -5.348 -7.255 -0.947 1.00 0.00 C ATOM 1248 CG ASN A 79 -6.053 -8.494 -0.432 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -6.302 -9.437 -1.182 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -6.380 -8.498 0.856 1.00 0.00 N ATOM 0 H ASN A 79 -3.902 -5.261 -1.032 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.559 -7.712 0.181 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.704 -6.383 -0.399 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.608 -7.101 -1.994 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.857 -9.305 1.259 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.154 -7.694 1.442 1.00 0.00 H new ATOM 1257 N PRO A 80 -3.247 -8.027 -3.124 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.765 -8.944 -4.162 1.00 0.00 C ATOM 1259 C PRO A 80 -1.257 -9.155 -4.124 1.00 0.00 C ATOM 1260 O PRO A 80 -0.767 -10.221 -4.501 1.00 0.00 O ATOM 1261 CB PRO A 80 -3.167 -8.249 -5.463 1.00 0.00 C ATOM 1262 CG PRO A 80 -3.206 -6.806 -5.113 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.693 -6.746 -3.693 1.00 0.00 C ATOM 0 HA PRO A 80 -3.187 -9.941 -4.037 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.447 -8.446 -6.258 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.137 -8.599 -5.817 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.219 -6.353 -5.208 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.873 -6.259 -5.779 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.266 -5.898 -3.157 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.777 -6.641 -3.644 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.515 -8.149 -3.672 1.00 0.00 N ATOM 1272 CA PHE A 81 0.936 -8.250 -3.602 1.00 0.00 C ATOM 1273 C PHE A 81 1.358 -9.176 -2.467 1.00 0.00 C ATOM 1274 O PHE A 81 2.105 -10.133 -2.675 1.00 0.00 O ATOM 1275 CB PHE A 81 1.514 -6.845 -3.384 1.00 0.00 C ATOM 1276 CG PHE A 81 3.018 -6.751 -3.395 1.00 0.00 C ATOM 1277 CD1 PHE A 81 3.816 -7.880 -3.508 1.00 0.00 C ATOM 1278 CD2 PHE A 81 3.633 -5.514 -3.285 1.00 0.00 C ATOM 1279 CE1 PHE A 81 5.190 -7.774 -3.507 1.00 0.00 C ATOM 1280 CE2 PHE A 81 5.009 -5.402 -3.282 1.00 0.00 C ATOM 1281 CZ PHE A 81 5.790 -6.536 -3.391 1.00 0.00 C ATOM 0 H PHE A 81 -0.894 -7.258 -3.350 1.00 0.00 H new ATOM 0 HA PHE A 81 1.317 -8.669 -4.533 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.121 -6.186 -4.158 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.151 -6.467 -2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.355 -8.853 -3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.027 -4.624 -3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.799 -8.661 -3.597 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.473 -4.431 -3.195 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.867 -6.454 -3.386 1.00 0.00 H new ATOM 1291 N LEU A 82 0.879 -8.890 -1.264 1.00 0.00 N ATOM 1292 CA LEU A 82 1.219 -9.700 -0.104 1.00 0.00 C ATOM 1293 C LEU A 82 0.929 -11.175 -0.362 1.00 0.00 C ATOM 1294 O LEU A 82 1.753 -12.036 -0.055 1.00 0.00 O ATOM 1295 CB LEU A 82 0.465 -9.203 1.127 1.00 0.00 C ATOM 1296 CG LEU A 82 0.756 -7.749 1.506 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -0.182 -7.282 2.606 1.00 0.00 C ATOM 1298 CD2 LEU A 82 2.209 -7.590 1.935 1.00 0.00 C ATOM 0 H LEU A 82 0.256 -8.106 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 82 2.288 -9.601 0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.605 -9.312 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.715 -9.843 1.973 1.00 0.00 H new ATOM 0 HG LEU A 82 0.587 -7.126 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.042 -6.246 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.213 -7.356 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.049 -7.909 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.398 -6.550 2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.405 -8.227 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.865 -7.880 1.114 1.00 0.00 H new ATOM 1310 N ALA A 83 -0.233 -11.466 -0.937 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.599 -12.842 -1.238 1.00 0.00 C ATOM 1312 C ALA A 83 0.332 -13.421 -2.294 1.00 0.00 C ATOM 1313 O ALA A 83 0.793 -14.556 -2.177 1.00 0.00 O ATOM 1314 CB ALA A 83 -2.046 -12.918 -1.703 1.00 0.00 C ATOM 0 H ALA A 83 -0.932 -10.772 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.498 -13.434 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.303 -13.954 -1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.701 -12.541 -0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.172 -12.314 -2.601 1.00 0.00 H new ATOM 1320 N LYS A 84 0.615 -12.628 -3.323 1.00 0.00 N ATOM 1321 CA LYS A 84 1.503 -13.058 -4.397 1.00 0.00 C ATOM 1322 C LYS A 84 2.881 -13.404 -3.839 1.00 0.00 C ATOM 1323 O LYS A 84 3.490 -14.403 -4.231 1.00 0.00 O ATOM 1324 CB LYS A 84 1.627 -11.965 -5.463 1.00 0.00 C ATOM 1325 CG LYS A 84 0.940 -12.314 -6.774 1.00 0.00 C ATOM 1326 CD LYS A 84 0.199 -11.119 -7.354 1.00 0.00 C ATOM 1327 CE LYS A 84 1.145 -9.967 -7.650 1.00 0.00 C ATOM 1328 NZ LYS A 84 0.465 -8.646 -7.531 1.00 0.00 N ATOM 0 H LYS A 84 0.242 -11.685 -3.435 1.00 0.00 H new ATOM 0 HA LYS A 84 1.076 -13.948 -4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.201 -11.040 -5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.683 -11.774 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.681 -12.666 -7.491 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.240 -13.133 -6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.312 -11.416 -8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.568 -10.790 -6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.989 -10.004 -6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.549 -10.078 -8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.144 -7.886 -7.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.325 -8.600 -8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.101 -8.529 -6.564 1.00 0.00 H new ATOM 1342 N TYR A 85 3.359 -12.584 -2.907 1.00 0.00 N ATOM 1343 CA TYR A 85 4.655 -12.830 -2.295 1.00 0.00 C ATOM 1344 C TYR A 85 4.600 -14.124 -1.496 1.00 0.00 C ATOM 1345 O TYR A 85 5.458 -14.994 -1.640 1.00 0.00 O ATOM 1346 CB TYR A 85 5.063 -11.664 -1.397 1.00 0.00 C ATOM 1347 CG TYR A 85 6.559 -11.487 -1.306 1.00 0.00 C ATOM 1348 CD1 TYR A 85 7.295 -11.081 -2.411 1.00 0.00 C ATOM 1349 CD2 TYR A 85 7.237 -11.738 -0.121 1.00 0.00 C ATOM 1350 CE1 TYR A 85 8.664 -10.927 -2.337 1.00 0.00 C ATOM 1351 CE2 TYR A 85 8.607 -11.584 -0.039 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.314 -11.180 -1.149 1.00 0.00 C ATOM 1353 OH TYR A 85 10.677 -11.029 -1.070 1.00 0.00 O ATOM 0 H TYR A 85 2.874 -11.755 -2.565 1.00 0.00 H new ATOM 0 HA TYR A 85 5.405 -12.923 -3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.616 -10.746 -1.778 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.660 -11.824 -0.397 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.788 -10.883 -3.344 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.685 -12.059 0.750 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.223 -10.610 -3.205 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.121 -11.779 0.891 1.00 0.00 H new ATOM 0 HH TYR A 85 11.084 -11.874 -0.786 1.00 0.00 H new ATOM 1363 N ARG A 86 3.600 -14.227 -0.629 1.00 0.00 N ATOM 1364 CA ARG A 86 3.456 -15.401 0.221 1.00 0.00 C ATOM 1365 C ARG A 86 3.462 -16.667 -0.628 1.00 0.00 C ATOM 1366 O ARG A 86 4.244 -17.581 -0.371 1.00 0.00 O ATOM 1367 CB ARG A 86 2.160 -15.317 1.031 1.00 0.00 C ATOM 1368 CG ARG A 86 2.361 -14.810 2.449 1.00 0.00 C ATOM 1369 CD ARG A 86 1.462 -15.537 3.437 1.00 0.00 C ATOM 1370 NE ARG A 86 0.057 -15.166 3.275 1.00 0.00 N ATOM 1371 CZ ARG A 86 -0.841 -15.901 2.620 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -0.493 -17.051 2.055 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -2.096 -15.482 2.529 1.00 0.00 N ATOM 0 H ARG A 86 2.881 -13.516 -0.497 1.00 0.00 H new ATOM 0 HA ARG A 86 4.298 -15.435 0.913 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.461 -14.659 0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.700 -16.305 1.069 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.403 -14.943 2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.153 -13.741 2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.571 -16.613 3.302 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.782 -15.309 4.454 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.256 -14.288 3.690 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.470 -17.380 2.120 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.189 -17.605 1.556 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.371 -14.599 2.960 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.786 -16.042 2.028 1.00 0.00 H new ATOM 1387 N ASP A 87 2.612 -16.723 -1.650 1.00 0.00 N ATOM 1388 CA ASP A 87 2.567 -17.890 -2.523 1.00 0.00 C ATOM 1389 C ASP A 87 3.952 -18.162 -3.111 1.00 0.00 C ATOM 1390 O ASP A 87 4.381 -19.313 -3.222 1.00 0.00 O ATOM 1391 CB ASP A 87 1.555 -17.671 -3.649 1.00 0.00 C ATOM 1392 CG ASP A 87 0.121 -17.767 -3.166 1.00 0.00 C ATOM 1393 OD1 ASP A 87 -0.223 -18.786 -2.531 1.00 0.00 O ATOM 1394 OD2 ASP A 87 -0.657 -16.825 -3.423 1.00 0.00 O ATOM 0 H ASP A 87 1.953 -15.983 -1.891 1.00 0.00 H new ATOM 0 HA ASP A 87 2.257 -18.753 -1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.720 -16.691 -4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.722 -18.411 -4.432 1.00 0.00 H new ATOM 1399 N PHE A 88 4.658 -17.091 -3.471 1.00 0.00 N ATOM 1400 CA PHE A 88 5.999 -17.218 -4.027 1.00 0.00 C ATOM 1401 C PHE A 88 6.940 -17.856 -3.007 1.00 0.00 C ATOM 1402 O PHE A 88 7.646 -18.817 -3.314 1.00 0.00 O ATOM 1403 CB PHE A 88 6.530 -15.843 -4.450 1.00 0.00 C ATOM 1404 CG PHE A 88 7.977 -15.848 -4.867 1.00 0.00 C ATOM 1405 CD1 PHE A 88 8.333 -16.130 -6.175 1.00 0.00 C ATOM 1406 CD2 PHE A 88 8.977 -15.569 -3.948 1.00 0.00 C ATOM 1407 CE1 PHE A 88 9.662 -16.133 -6.559 1.00 0.00 C ATOM 1408 CE2 PHE A 88 10.303 -15.570 -4.327 1.00 0.00 C ATOM 1409 CZ PHE A 88 10.647 -15.852 -5.634 1.00 0.00 C ATOM 0 H PHE A 88 4.323 -16.131 -3.387 1.00 0.00 H new ATOM 0 HA PHE A 88 5.951 -17.861 -4.906 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.925 -15.470 -5.277 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.403 -15.145 -3.622 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.566 -16.350 -6.903 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.715 -15.348 -2.924 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.929 -16.355 -7.582 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.072 -15.350 -3.601 1.00 0.00 H new ATOM 0 HZ PHE A 88 11.685 -15.853 -5.932 1.00 0.00 H new ATOM 1419 N LEU A 89 6.946 -17.312 -1.793 1.00 0.00 N ATOM 1420 CA LEU A 89 7.800 -17.822 -0.725 1.00 0.00 C ATOM 1421 C LEU A 89 7.542 -19.305 -0.474 1.00 0.00 C ATOM 1422 O LEU A 89 8.475 -20.105 -0.429 1.00 0.00 O ATOM 1423 CB LEU A 89 7.568 -17.027 0.561 1.00 0.00 C ATOM 1424 CG LEU A 89 8.680 -17.152 1.608 1.00 0.00 C ATOM 1425 CD1 LEU A 89 9.288 -15.790 1.910 1.00 0.00 C ATOM 1426 CD2 LEU A 89 8.146 -17.794 2.881 1.00 0.00 C ATOM 0 H LEU A 89 6.367 -16.516 -1.524 1.00 0.00 H new ATOM 0 HA LEU A 89 8.837 -17.705 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.449 -15.975 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.630 -17.354 1.009 1.00 0.00 H new ATOM 0 HG LEU A 89 9.462 -17.793 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.075 -15.900 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.709 -15.369 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.516 -15.124 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.950 -17.874 3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.344 -17.180 3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.762 -18.788 2.653 1.00 0.00 H new ATOM 1438 N LYS A 90 6.272 -19.667 -0.312 1.00 0.00 N ATOM 1439 CA LYS A 90 5.904 -21.058 -0.069 1.00 0.00 C ATOM 1440 C LYS A 90 6.347 -21.939 -1.230 1.00 0.00 C ATOM 1441 O LYS A 90 6.686 -23.108 -1.042 1.00 0.00 O ATOM 1442 CB LYS A 90 4.396 -21.188 0.137 1.00 0.00 C ATOM 1443 CG LYS A 90 3.581 -20.741 -1.063 1.00 0.00 C ATOM 1444 CD LYS A 90 2.120 -21.143 -0.931 1.00 0.00 C ATOM 1445 CE LYS A 90 1.656 -21.965 -2.122 1.00 0.00 C ATOM 1446 NZ LYS A 90 0.904 -21.141 -3.108 1.00 0.00 N ATOM 0 H LYS A 90 5.484 -19.020 -0.344 1.00 0.00 H new ATOM 0 HA LYS A 90 6.411 -21.389 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.156 -22.227 0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.104 -20.598 1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.653 -19.659 -1.169 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.998 -21.178 -1.970 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.982 -21.718 -0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.503 -20.249 -0.843 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.520 -22.416 -2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.024 -22.782 -1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.227 -21.743 -3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.390 -20.387 -2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.570 -20.717 -3.785 1.00 0.00 H new ATOM 1460 N SER A 91 6.357 -21.367 -2.430 1.00 0.00 N ATOM 1461 CA SER A 91 6.777 -22.102 -3.616 1.00 0.00 C ATOM 1462 C SER A 91 8.233 -22.545 -3.475 1.00 0.00 C ATOM 1463 O SER A 91 8.508 -23.679 -3.083 1.00 0.00 O ATOM 1464 CB SER A 91 6.600 -21.240 -4.870 1.00 0.00 C ATOM 1465 OG SER A 91 5.500 -21.688 -5.644 1.00 0.00 O ATOM 0 H SER A 91 6.080 -20.401 -2.606 1.00 0.00 H new ATOM 0 HA SER A 91 6.151 -22.989 -3.716 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.447 -20.200 -4.582 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.509 -21.274 -5.470 1.00 0.00 H new ATOM 0 HG SER A 91 5.406 -21.121 -6.438 1.00 0.00 H new