USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=14 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 Single : A 7 ASN : amide:sc= -1.03 K(o=-1,f=-2.8!) USER MOD Single : A 8 LYS NZ :NH3+ 146:sc= -2.3 (180deg=-4.29!) 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 170:sc= -1.5 USER MOD Single : A 23 ASN : amide:sc= 0.245 X(o=0.24,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.63) USER MOD Single : A 25 GLN : amide:sc= -8.26! C(o=-8.3!,f=-7.6!) USER MOD Single : A 28 ASN : amide:sc= -1.35 K(o=-1.3,f=-9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -142:sc= -1.06 (180deg=-4.98!) USER MOD Single : A 39 THR OG1 : rot 112:sc= 1.4 USER MOD Single : A 45 MET CE :methyl -128:sc= -5.86! (180deg=-9.98!) USER MOD Single : A 46 ASN : amide:sc= 0.0115 X(o=0.011,f=-0.084) USER MOD Single : A 48 TYR OH : rot 1:sc= -0.997 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 144:sc= -1.23 USER MOD Single : A 54 GLN : amide:sc= -0.323 X(o=-0.32,f=0) USER MOD Single : A 55 GLN : amide:sc= 0.209 X(o=0.21,f=0) 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= -3.95! C(o=-3.9!,f=-5!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 75 ASN : amide:sc= -0.0216 K(o=-0.022,f=-1.1) USER MOD Single : A 76 THR OG1 : rot -75:sc= 0.987 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -156:sc= -0.0275 (180deg=-0.276) USER MOD Single : A 85 TYR OH : rot -161:sc= 0.0338 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 72:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 63 N ALA A 6 -3.909 20.886 -6.146 1.00 0.00 N ATOM 64 CA ALA A 6 -2.870 20.525 -5.185 1.00 0.00 C ATOM 65 C ALA A 6 -3.329 19.382 -4.282 1.00 0.00 C ATOM 66 O ALA A 6 -2.578 18.438 -4.023 1.00 0.00 O ATOM 67 CB ALA A 6 -2.466 21.732 -4.354 1.00 0.00 C ATOM 0 HA ALA A 6 -1.999 20.183 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.691 21.442 -3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.083 22.514 -5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.334 22.107 -3.811 1.00 0.00 H new ATOM 73 N ASN A 7 -4.569 19.461 -3.819 1.00 0.00 N ATOM 74 CA ASN A 7 -5.119 18.423 -2.959 1.00 0.00 C ATOM 75 C ASN A 7 -5.223 17.103 -3.718 1.00 0.00 C ATOM 76 O ASN A 7 -4.650 16.090 -3.311 1.00 0.00 O ATOM 77 CB ASN A 7 -6.489 18.846 -2.428 1.00 0.00 C ATOM 78 CG ASN A 7 -6.428 19.286 -0.976 1.00 0.00 C ATOM 79 OD1 ASN A 7 -7.315 18.970 -0.183 1.00 0.00 O ATOM 80 ND2 ASN A 7 -5.374 20.017 -0.619 1.00 0.00 N ATOM 0 H ASN A 7 -5.210 20.228 -4.023 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.448 18.280 -2.112 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.877 19.662 -3.038 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.187 18.015 -2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.279 20.338 0.345 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.662 20.256 -1.309 1.00 0.00 H new ATOM 87 N LYS A 8 -5.945 17.126 -4.833 1.00 0.00 N ATOM 88 CA LYS A 8 -6.112 15.934 -5.658 1.00 0.00 C ATOM 89 C LYS A 8 -4.756 15.403 -6.113 1.00 0.00 C ATOM 90 O LYS A 8 -4.595 14.202 -6.337 1.00 0.00 O ATOM 91 CB LYS A 8 -6.983 16.247 -6.876 1.00 0.00 C ATOM 92 CG LYS A 8 -8.393 16.692 -6.523 1.00 0.00 C ATOM 93 CD LYS A 8 -9.379 16.361 -7.633 1.00 0.00 C ATOM 94 CE LYS A 8 -9.020 17.066 -8.931 1.00 0.00 C ATOM 95 NZ LYS A 8 -7.840 16.447 -9.595 1.00 0.00 N ATOM 0 H LYS A 8 -6.423 17.955 -5.186 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.605 15.169 -5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.502 17.028 -7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.039 15.361 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.708 16.207 -5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.400 17.766 -6.337 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.395 15.283 -7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.384 16.652 -7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.874 17.036 -9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.812 18.116 -8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.951 16.508 -10.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.977 16.951 -9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.767 15.449 -9.313 1.00 0.00 H new ATOM 109 N ASP A 9 -3.784 16.304 -6.245 1.00 0.00 N ATOM 110 CA ASP A 9 -2.443 15.923 -6.670 1.00 0.00 C ATOM 111 C ASP A 9 -1.746 15.135 -5.576 1.00 0.00 C ATOM 112 O ASP A 9 -1.023 14.183 -5.851 1.00 0.00 O ATOM 113 CB ASP A 9 -1.620 17.159 -7.040 1.00 0.00 C ATOM 114 CG ASP A 9 -0.311 16.801 -7.717 1.00 0.00 C ATOM 115 OD1 ASP A 9 0.357 15.853 -7.253 1.00 0.00 O ATOM 116 OD2 ASP A 9 0.046 17.466 -8.712 1.00 0.00 O ATOM 0 H ASP A 9 -3.902 17.301 -6.064 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.531 15.292 -7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.206 17.797 -7.702 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.414 17.738 -6.140 1.00 0.00 H new ATOM 121 N LEU A 10 -1.980 15.526 -4.330 1.00 0.00 N ATOM 122 CA LEU A 10 -1.385 14.828 -3.200 1.00 0.00 C ATOM 123 C LEU A 10 -1.961 13.419 -3.110 1.00 0.00 C ATOM 124 O LEU A 10 -1.228 12.432 -2.949 1.00 0.00 O ATOM 125 CB LEU A 10 -1.659 15.586 -1.896 1.00 0.00 C ATOM 126 CG LEU A 10 -0.588 15.455 -0.804 1.00 0.00 C ATOM 127 CD1 LEU A 10 0.136 14.120 -0.898 1.00 0.00 C ATOM 128 CD2 LEU A 10 0.401 16.606 -0.884 1.00 0.00 C ATOM 0 H LEU A 10 -2.573 16.317 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.307 14.772 -3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.781 16.643 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.609 15.238 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.090 15.496 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.888 14.058 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.581 13.308 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.621 14.037 -1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.152 16.495 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.888 16.600 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.127 17.550 -0.749 1.00 0.00 H new ATOM 140 N ILE A 11 -3.282 13.325 -3.254 1.00 0.00 N ATOM 141 CA ILE A 11 -3.951 12.038 -3.212 1.00 0.00 C ATOM 142 C ILE A 11 -3.445 11.147 -4.337 1.00 0.00 C ATOM 143 O ILE A 11 -2.998 10.026 -4.097 1.00 0.00 O ATOM 144 CB ILE A 11 -5.480 12.193 -3.335 1.00 0.00 C ATOM 145 CG1 ILE A 11 -5.988 13.265 -2.366 1.00 0.00 C ATOM 146 CG2 ILE A 11 -6.176 10.866 -3.075 1.00 0.00 C ATOM 147 CD1 ILE A 11 -5.553 13.044 -0.934 1.00 0.00 C ATOM 0 H ILE A 11 -3.901 14.122 -3.400 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.726 11.581 -2.248 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.713 12.508 -4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.633 14.240 -2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.077 13.292 -2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.254 10.997 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.837 10.129 -3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.936 10.520 -2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.950 13.842 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.931 12.084 -0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.464 13.047 -0.880 1.00 0.00 H new ATOM 159 N SER A 12 -3.511 11.648 -5.570 1.00 0.00 N ATOM 160 CA SER A 12 -3.052 10.881 -6.715 1.00 0.00 C ATOM 161 C SER A 12 -1.564 10.594 -6.606 1.00 0.00 C ATOM 162 O SER A 12 -1.100 9.546 -7.023 1.00 0.00 O ATOM 163 CB SER A 12 -3.338 11.634 -8.012 1.00 0.00 C ATOM 164 OG SER A 12 -3.616 10.732 -9.068 1.00 0.00 O ATOM 0 H SER A 12 -3.875 12.574 -5.795 1.00 0.00 H new ATOM 0 HA SER A 12 -3.593 9.935 -6.727 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.185 12.305 -7.869 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.481 12.254 -8.274 1.00 0.00 H new ATOM 0 HG SER A 12 -3.798 11.235 -9.889 1.00 0.00 H new ATOM 170 N ALA A 13 -0.820 11.543 -6.057 1.00 0.00 N ATOM 171 CA ALA A 13 0.621 11.381 -5.916 1.00 0.00 C ATOM 172 C ALA A 13 0.936 10.149 -5.089 1.00 0.00 C ATOM 173 O ALA A 13 1.873 9.408 -5.394 1.00 0.00 O ATOM 174 CB ALA A 13 1.249 12.623 -5.306 1.00 0.00 C ATOM 0 H ALA A 13 -1.186 12.427 -5.704 1.00 0.00 H new ATOM 0 HA ALA A 13 1.051 11.245 -6.908 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.325 12.477 -5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.054 13.482 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.819 12.802 -4.321 1.00 0.00 H new ATOM 180 N GLY A 14 0.112 9.891 -4.082 1.00 0.00 N ATOM 181 CA GLY A 14 0.305 8.692 -3.293 1.00 0.00 C ATOM 182 C GLY A 14 -0.081 7.485 -4.124 1.00 0.00 C ATOM 183 O GLY A 14 0.609 6.466 -4.145 1.00 0.00 O ATOM 0 H GLY A 14 -0.673 10.479 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.345 8.614 -2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.301 8.735 -2.388 1.00 0.00 H new ATOM 187 N LEU A 15 -1.201 7.639 -4.820 1.00 0.00 N ATOM 188 CA LEU A 15 -1.726 6.593 -5.689 1.00 0.00 C ATOM 189 C LEU A 15 -0.664 6.155 -6.694 1.00 0.00 C ATOM 190 O LEU A 15 -0.265 4.992 -6.717 1.00 0.00 O ATOM 191 CB LEU A 15 -2.986 7.075 -6.413 1.00 0.00 C ATOM 192 CG LEU A 15 -4.304 6.548 -5.842 1.00 0.00 C ATOM 193 CD1 LEU A 15 -4.726 7.361 -4.628 1.00 0.00 C ATOM 194 CD2 LEU A 15 -5.393 6.573 -6.906 1.00 0.00 C ATOM 0 H LEU A 15 -1.768 8.487 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.994 5.735 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.007 8.165 -6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.919 6.782 -7.461 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.153 5.516 -5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.665 6.970 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.957 7.293 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.859 8.404 -4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.324 6.195 -6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.541 7.596 -7.251 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.095 5.946 -7.746 1.00 0.00 H new ATOM 206 N LYS A 16 -0.194 7.089 -7.513 1.00 0.00 N ATOM 207 CA LYS A 16 0.836 6.785 -8.497 1.00 0.00 C ATOM 208 C LYS A 16 2.101 6.320 -7.791 1.00 0.00 C ATOM 209 O LYS A 16 2.867 5.515 -8.319 1.00 0.00 O ATOM 210 CB LYS A 16 1.133 8.017 -9.358 1.00 0.00 C ATOM 211 CG LYS A 16 1.093 7.744 -10.854 1.00 0.00 C ATOM 212 CD LYS A 16 -0.306 7.369 -11.318 1.00 0.00 C ATOM 213 CE LYS A 16 -0.281 6.729 -12.698 1.00 0.00 C ATOM 214 NZ LYS A 16 -0.399 7.740 -13.786 1.00 0.00 N ATOM 0 H LYS A 16 -0.509 8.059 -7.515 1.00 0.00 H new ATOM 0 HA LYS A 16 0.477 5.988 -9.148 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.410 8.797 -9.121 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.117 8.404 -9.095 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.432 8.628 -11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.785 6.938 -11.096 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.755 6.679 -10.604 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.935 8.259 -11.340 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.647 6.171 -12.822 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.098 6.012 -12.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.378 7.261 -14.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.296 8.256 -13.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.394 8.410 -13.725 1.00 0.00 H new ATOM 228 N GLU A 17 2.305 6.834 -6.583 1.00 0.00 N ATOM 229 CA GLU A 17 3.466 6.474 -5.788 1.00 0.00 C ATOM 230 C GLU A 17 3.449 4.990 -5.452 1.00 0.00 C ATOM 231 O GLU A 17 4.443 4.286 -5.644 1.00 0.00 O ATOM 232 CB GLU A 17 3.512 7.306 -4.504 1.00 0.00 C ATOM 233 CG GLU A 17 4.368 8.557 -4.620 1.00 0.00 C ATOM 234 CD GLU A 17 5.850 8.244 -4.684 1.00 0.00 C ATOM 235 OE1 GLU A 17 6.288 7.647 -5.690 1.00 0.00 O ATOM 236 OE2 GLU A 17 6.573 8.597 -3.728 1.00 0.00 O ATOM 0 H GLU A 17 1.678 7.502 -6.135 1.00 0.00 H new ATOM 0 HA GLU A 17 4.360 6.685 -6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.497 7.594 -4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.896 6.687 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.078 9.110 -5.514 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.174 9.206 -3.766 1.00 0.00 H new ATOM 243 N PHE A 18 2.309 4.512 -4.967 1.00 0.00 N ATOM 244 CA PHE A 18 2.168 3.103 -4.626 1.00 0.00 C ATOM 245 C PHE A 18 2.068 2.252 -5.888 1.00 0.00 C ATOM 246 O PHE A 18 2.742 1.233 -6.017 1.00 0.00 O ATOM 247 CB PHE A 18 0.946 2.876 -3.729 1.00 0.00 C ATOM 248 CG PHE A 18 0.982 1.578 -2.962 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.182 0.922 -2.719 1.00 0.00 C ATOM 250 CD2 PHE A 18 -0.191 1.010 -2.487 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.210 -0.268 -2.020 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.167 -0.182 -1.788 1.00 0.00 C ATOM 253 CZ PHE A 18 1.034 -0.822 -1.554 1.00 0.00 C ATOM 0 H PHE A 18 1.475 5.075 -4.802 1.00 0.00 H new ATOM 0 HA PHE A 18 3.057 2.800 -4.073 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.868 3.702 -3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.047 2.898 -4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.105 1.349 -3.082 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.134 1.505 -2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.151 -0.765 -1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.088 -0.613 -1.425 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.054 -1.754 -1.008 1.00 0.00 H new ATOM 263 N SER A 19 1.219 2.679 -6.818 1.00 0.00 N ATOM 264 CA SER A 19 1.025 1.957 -8.073 1.00 0.00 C ATOM 265 C SER A 19 2.348 1.766 -8.810 1.00 0.00 C ATOM 266 O SER A 19 2.688 0.656 -9.217 1.00 0.00 O ATOM 267 CB SER A 19 0.033 2.706 -8.965 1.00 0.00 C ATOM 268 OG SER A 19 0.643 3.832 -9.572 1.00 0.00 O ATOM 0 H SER A 19 0.653 3.523 -6.727 1.00 0.00 H new ATOM 0 HA SER A 19 0.622 0.972 -7.836 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.347 2.035 -9.735 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.823 3.028 -8.372 1.00 0.00 H new ATOM 0 HG SER A 19 0.045 4.199 -10.256 1.00 0.00 H new ATOM 274 N VAL A 20 3.089 2.857 -8.982 1.00 0.00 N ATOM 275 CA VAL A 20 4.372 2.804 -9.675 1.00 0.00 C ATOM 276 C VAL A 20 5.401 2.014 -8.870 1.00 0.00 C ATOM 277 O VAL A 20 6.177 1.240 -9.430 1.00 0.00 O ATOM 278 CB VAL A 20 4.914 4.219 -9.961 1.00 0.00 C ATOM 279 CG1 VAL A 20 6.248 4.151 -10.690 1.00 0.00 C ATOM 280 CG2 VAL A 20 3.903 5.022 -10.766 1.00 0.00 C ATOM 0 H VAL A 20 2.824 3.785 -8.652 1.00 0.00 H new ATOM 0 HA VAL A 20 4.202 2.296 -10.625 1.00 0.00 H new ATOM 0 HB VAL A 20 5.075 4.722 -9.008 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.610 5.161 -10.881 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.972 3.616 -10.075 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.119 3.627 -11.637 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.301 6.018 -10.959 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.709 4.518 -11.713 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.973 5.106 -10.203 1.00 0.00 H new ATOM 290 N LEU A 21 5.399 2.205 -7.554 1.00 0.00 N ATOM 291 CA LEU A 21 6.331 1.498 -6.684 1.00 0.00 C ATOM 292 C LEU A 21 6.069 -0.005 -6.720 1.00 0.00 C ATOM 293 O LEU A 21 6.999 -0.811 -6.721 1.00 0.00 O ATOM 294 CB LEU A 21 6.209 2.012 -5.249 1.00 0.00 C ATOM 295 CG LEU A 21 7.162 1.361 -4.246 1.00 0.00 C ATOM 296 CD1 LEU A 21 8.602 1.765 -4.529 1.00 0.00 C ATOM 297 CD2 LEU A 21 6.770 1.736 -2.825 1.00 0.00 C ATOM 0 H LEU A 21 4.765 2.840 -7.069 1.00 0.00 H new ATOM 0 HA LEU A 21 7.342 1.684 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.384 3.088 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.185 1.856 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 21 7.087 0.279 -4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.262 1.290 -3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.878 1.446 -5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.698 2.848 -4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.457 1.265 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.817 2.819 -2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.755 1.393 -2.625 1.00 0.00 H new ATOM 309 N LEU A 22 4.791 -0.371 -6.745 1.00 0.00 N ATOM 310 CA LEU A 22 4.386 -1.775 -6.775 1.00 0.00 C ATOM 311 C LEU A 22 4.633 -2.402 -8.147 1.00 0.00 C ATOM 312 O LEU A 22 5.183 -3.498 -8.252 1.00 0.00 O ATOM 313 CB LEU A 22 2.904 -1.899 -6.429 1.00 0.00 C ATOM 314 CG LEU A 22 2.516 -1.404 -5.038 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.020 -1.147 -4.966 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.942 -2.410 -3.984 1.00 0.00 C ATOM 0 H LEU A 22 4.013 0.289 -6.745 1.00 0.00 H new ATOM 0 HA LEU A 22 4.988 -2.306 -6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.327 -1.343 -7.168 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.613 -2.946 -6.519 1.00 0.00 H new ATOM 0 HG LEU A 22 3.033 -0.464 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.759 -0.795 -3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.745 -0.391 -5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.482 -2.071 -5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.659 -2.044 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.450 -3.364 -4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.023 -2.544 -4.025 1.00 0.00 H new ATOM 328 N ASN A 23 4.207 -1.702 -9.195 1.00 0.00 N ATOM 329 CA ASN A 23 4.365 -2.190 -10.562 1.00 0.00 C ATOM 330 C ASN A 23 5.836 -2.373 -10.933 1.00 0.00 C ATOM 331 O ASN A 23 6.156 -3.037 -11.918 1.00 0.00 O ATOM 332 CB ASN A 23 3.697 -1.225 -11.544 1.00 0.00 C ATOM 333 CG ASN A 23 2.308 -1.679 -11.946 1.00 0.00 C ATOM 334 OD1 ASN A 23 2.151 -2.542 -12.811 1.00 0.00 O ATOM 335 ND2 ASN A 23 1.290 -1.101 -11.319 1.00 0.00 N ATOM 0 H ASN A 23 3.749 -0.793 -9.123 1.00 0.00 H new ATOM 0 HA ASN A 23 3.883 -3.166 -10.622 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.636 -0.235 -11.092 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.317 -1.131 -12.435 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.332 -1.368 -11.548 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.466 -0.390 -10.609 1.00 0.00 H new ATOM 342 N GLN A 24 6.727 -1.771 -10.149 1.00 0.00 N ATOM 343 CA GLN A 24 8.162 -1.860 -10.408 1.00 0.00 C ATOM 344 C GLN A 24 8.786 -3.103 -9.766 1.00 0.00 C ATOM 345 O GLN A 24 10.001 -3.163 -9.577 1.00 0.00 O ATOM 346 CB GLN A 24 8.857 -0.607 -9.878 1.00 0.00 C ATOM 347 CG GLN A 24 8.993 0.499 -10.907 1.00 0.00 C ATOM 348 CD GLN A 24 9.778 1.679 -10.377 1.00 0.00 C ATOM 349 OE1 GLN A 24 10.743 1.513 -9.630 1.00 0.00 O ATOM 350 NE2 GLN A 24 9.366 2.882 -10.757 1.00 0.00 N ATOM 0 H GLN A 24 6.481 -1.216 -9.329 1.00 0.00 H new ATOM 0 HA GLN A 24 8.299 -1.940 -11.486 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.299 -0.228 -9.022 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.849 -0.878 -9.517 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.486 0.107 -11.797 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.001 0.832 -11.213 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.561 2.973 -11.377 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.854 3.715 -10.429 1.00 0.00 H new ATOM 359 N GLN A 25 7.959 -4.088 -9.430 1.00 0.00 N ATOM 360 CA GLN A 25 8.450 -5.313 -8.805 1.00 0.00 C ATOM 361 C GLN A 25 8.428 -6.489 -9.783 1.00 0.00 C ATOM 362 O GLN A 25 7.488 -6.644 -10.562 1.00 0.00 O ATOM 363 CB GLN A 25 7.609 -5.643 -7.572 1.00 0.00 C ATOM 364 CG GLN A 25 7.948 -4.784 -6.361 1.00 0.00 C ATOM 365 CD GLN A 25 6.741 -4.077 -5.770 1.00 0.00 C ATOM 366 OE1 GLN A 25 6.857 -2.964 -5.257 1.00 0.00 O ATOM 367 NE2 GLN A 25 5.576 -4.719 -5.827 1.00 0.00 N ATOM 0 H GLN A 25 6.950 -4.063 -9.579 1.00 0.00 H new ATOM 0 HA GLN A 25 9.485 -5.146 -8.506 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.554 -5.514 -7.816 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.751 -6.693 -7.315 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.404 -5.411 -5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.691 -4.040 -6.648 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.522 -5.641 -6.261 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.737 -4.289 -5.437 1.00 0.00 H new ATOM 376 N VAL A 26 9.475 -7.313 -9.735 1.00 0.00 N ATOM 377 CA VAL A 26 9.579 -8.480 -10.608 1.00 0.00 C ATOM 378 C VAL A 26 10.156 -9.680 -9.858 1.00 0.00 C ATOM 379 O VAL A 26 11.358 -9.739 -9.598 1.00 0.00 O ATOM 380 CB VAL A 26 10.450 -8.184 -11.846 1.00 0.00 C ATOM 381 CG1 VAL A 26 11.851 -7.763 -11.430 1.00 0.00 C ATOM 382 CG2 VAL A 26 10.500 -9.393 -12.769 1.00 0.00 C ATOM 0 H VAL A 26 10.264 -7.193 -9.099 1.00 0.00 H new ATOM 0 HA VAL A 26 8.568 -8.718 -10.939 1.00 0.00 H new ATOM 0 HB VAL A 26 9.997 -7.358 -12.393 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.449 -7.559 -12.319 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.794 -6.864 -10.817 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.316 -8.564 -10.856 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.119 -9.163 -13.636 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.925 -10.242 -12.234 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.491 -9.641 -13.099 1.00 0.00 H new ATOM 392 N PHE A 27 9.296 -10.633 -9.511 1.00 0.00 N ATOM 393 CA PHE A 27 9.729 -11.823 -8.783 1.00 0.00 C ATOM 394 C PHE A 27 10.236 -12.915 -9.726 1.00 0.00 C ATOM 395 O PHE A 27 9.753 -13.062 -10.848 1.00 0.00 O ATOM 396 CB PHE A 27 8.586 -12.382 -7.931 1.00 0.00 C ATOM 397 CG PHE A 27 7.743 -11.333 -7.264 1.00 0.00 C ATOM 398 CD1 PHE A 27 8.328 -10.270 -6.596 1.00 0.00 C ATOM 399 CD2 PHE A 27 6.360 -11.415 -7.304 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.549 -9.309 -5.979 1.00 0.00 C ATOM 401 CE2 PHE A 27 5.576 -10.457 -6.691 1.00 0.00 C ATOM 402 CZ PHE A 27 6.171 -9.403 -6.026 1.00 0.00 C ATOM 0 H PHE A 27 8.298 -10.606 -9.721 1.00 0.00 H new ATOM 0 HA PHE A 27 10.552 -11.517 -8.137 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.946 -12.999 -8.562 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.005 -13.036 -7.166 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.404 -10.191 -6.557 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.889 -12.238 -7.821 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.017 -8.485 -5.461 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.499 -10.532 -6.732 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.561 -8.654 -5.544 1.00 0.00 H new ATOM 412 N ASN A 28 11.208 -13.682 -9.240 1.00 0.00 N ATOM 413 CA ASN A 28 11.803 -14.784 -9.997 1.00 0.00 C ATOM 414 C ASN A 28 13.013 -15.323 -9.239 1.00 0.00 C ATOM 415 O ASN A 28 12.992 -16.441 -8.722 1.00 0.00 O ATOM 416 CB ASN A 28 12.208 -14.343 -11.411 1.00 0.00 C ATOM 417 CG ASN A 28 12.650 -12.892 -11.480 1.00 0.00 C ATOM 418 OD1 ASN A 28 13.339 -12.400 -10.589 1.00 0.00 O ATOM 419 ND2 ASN A 28 12.253 -12.202 -12.544 1.00 0.00 N ATOM 0 H ASN A 28 11.607 -13.558 -8.309 1.00 0.00 H new ATOM 0 HA ASN A 28 11.058 -15.572 -10.104 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.018 -14.980 -11.766 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.366 -14.492 -12.087 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.520 -11.223 -12.645 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.682 -12.652 -13.259 1.00 0.00 H new ATOM 426 N ASP A 29 14.061 -14.512 -9.172 1.00 0.00 N ATOM 427 CA ASP A 29 15.278 -14.897 -8.469 1.00 0.00 C ATOM 428 C ASP A 29 15.098 -14.680 -6.965 1.00 0.00 C ATOM 429 O ASP A 29 14.800 -13.569 -6.525 1.00 0.00 O ATOM 430 CB ASP A 29 16.473 -14.088 -8.983 1.00 0.00 C ATOM 431 CG ASP A 29 17.428 -14.932 -9.806 1.00 0.00 C ATOM 432 OD1 ASP A 29 18.168 -15.744 -9.213 1.00 0.00 O ATOM 433 OD2 ASP A 29 17.433 -14.781 -11.047 1.00 0.00 O ATOM 0 H ASP A 29 14.093 -13.585 -9.595 1.00 0.00 H new ATOM 0 HA ASP A 29 15.473 -15.953 -8.655 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.113 -13.256 -9.588 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.009 -13.658 -8.137 1.00 0.00 H new ATOM 438 N PRO A 30 15.257 -15.744 -6.152 1.00 0.00 N ATOM 439 CA PRO A 30 15.090 -15.663 -4.696 1.00 0.00 C ATOM 440 C PRO A 30 15.883 -14.519 -4.074 1.00 0.00 C ATOM 441 O PRO A 30 17.095 -14.412 -4.261 1.00 0.00 O ATOM 442 CB PRO A 30 15.603 -17.018 -4.183 1.00 0.00 C ATOM 443 CG PRO A 30 16.258 -17.676 -5.354 1.00 0.00 C ATOM 444 CD PRO A 30 15.597 -17.109 -6.575 1.00 0.00 C ATOM 0 HA PRO A 30 14.053 -15.463 -4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 30 16.310 -16.884 -3.364 1.00 0.00 H new ATOM 0 HB3 PRO A 30 14.784 -17.627 -3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 30 17.330 -17.477 -5.363 1.00 0.00 H new ATOM 0 HG3 PRO A 30 16.135 -18.758 -5.312 1.00 0.00 H new ATOM 0 HD2 PRO A 30 16.266 -17.112 -7.436 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.711 -17.678 -6.857 1.00 0.00 H new ATOM 452 N LEU A 31 15.183 -13.667 -3.328 1.00 0.00 N ATOM 453 CA LEU A 31 15.810 -12.528 -2.668 1.00 0.00 C ATOM 454 C LEU A 31 15.245 -12.353 -1.251 1.00 0.00 C ATOM 455 O LEU A 31 15.173 -13.317 -0.489 1.00 0.00 O ATOM 456 CB LEU A 31 15.609 -11.260 -3.510 1.00 0.00 C ATOM 457 CG LEU A 31 16.036 -11.379 -4.977 1.00 0.00 C ATOM 458 CD1 LEU A 31 14.925 -10.904 -5.902 1.00 0.00 C ATOM 459 CD2 LEU A 31 17.313 -10.592 -5.229 1.00 0.00 C ATOM 0 H LEU A 31 14.179 -13.746 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 31 16.881 -12.711 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.555 -10.983 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 31 16.168 -10.445 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 31 16.232 -12.430 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 31 15.250 -10.997 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.035 -11.513 -5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.693 -9.861 -5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 31 17.600 -10.689 -6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 31 17.145 -9.541 -4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 31 18.111 -10.981 -4.597 1.00 0.00 H new ATOM 471 N VAL A 32 14.869 -11.125 -0.885 1.00 0.00 N ATOM 472 CA VAL A 32 14.346 -10.855 0.457 1.00 0.00 C ATOM 473 C VAL A 32 13.094 -11.688 0.742 1.00 0.00 C ATOM 474 O VAL A 32 12.396 -12.121 -0.175 1.00 0.00 O ATOM 475 CB VAL A 32 14.043 -9.336 0.681 1.00 0.00 C ATOM 476 CG1 VAL A 32 14.080 -8.546 -0.623 1.00 0.00 C ATOM 477 CG2 VAL A 32 12.703 -9.123 1.374 1.00 0.00 C ATOM 0 H VAL A 32 14.916 -10.308 -1.493 1.00 0.00 H new ATOM 0 HA VAL A 32 15.129 -11.144 1.158 1.00 0.00 H new ATOM 0 HB VAL A 32 14.834 -8.962 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.864 -7.497 -0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.069 -8.632 -1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.333 -8.943 -1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.530 -8.056 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.906 -9.544 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.713 -9.617 2.346 1.00 0.00 H new ATOM 487 N SER A 33 12.836 -11.919 2.030 1.00 0.00 N ATOM 488 CA SER A 33 11.688 -12.711 2.465 1.00 0.00 C ATOM 489 C SER A 33 10.412 -11.877 2.507 1.00 0.00 C ATOM 490 O SER A 33 10.445 -10.657 2.346 1.00 0.00 O ATOM 491 CB SER A 33 11.958 -13.313 3.846 1.00 0.00 C ATOM 492 OG SER A 33 11.845 -14.725 3.818 1.00 0.00 O ATOM 0 H SER A 33 13.412 -11.565 2.794 1.00 0.00 H new ATOM 0 HA SER A 33 11.544 -13.511 1.738 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.957 -13.032 4.180 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.253 -12.903 4.569 1.00 0.00 H new ATOM 0 HG SER A 33 12.024 -15.085 4.712 1.00 0.00 H new ATOM 498 N GLU A 34 9.287 -12.554 2.721 1.00 0.00 N ATOM 499 CA GLU A 34 7.990 -11.895 2.784 1.00 0.00 C ATOM 500 C GLU A 34 7.864 -11.046 4.044 1.00 0.00 C ATOM 501 O GLU A 34 7.189 -10.023 4.040 1.00 0.00 O ATOM 502 CB GLU A 34 6.864 -12.929 2.737 1.00 0.00 C ATOM 503 CG GLU A 34 6.897 -13.921 3.889 1.00 0.00 C ATOM 504 CD GLU A 34 6.349 -13.340 5.179 1.00 0.00 C ATOM 505 OE1 GLU A 34 5.238 -12.771 5.147 1.00 0.00 O ATOM 506 OE2 GLU A 34 7.031 -13.456 6.219 1.00 0.00 O ATOM 0 H GLU A 34 9.250 -13.565 2.854 1.00 0.00 H new ATOM 0 HA GLU A 34 7.907 -11.237 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.906 -12.410 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.924 -13.476 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.318 -14.804 3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.924 -14.249 4.051 1.00 0.00 H new ATOM 513 N GLU A 35 8.513 -11.474 5.121 1.00 0.00 N ATOM 514 CA GLU A 35 8.462 -10.740 6.382 1.00 0.00 C ATOM 515 C GLU A 35 9.179 -9.398 6.259 1.00 0.00 C ATOM 516 O GLU A 35 8.738 -8.395 6.821 1.00 0.00 O ATOM 517 CB GLU A 35 9.089 -11.568 7.505 1.00 0.00 C ATOM 518 CG GLU A 35 9.116 -10.854 8.848 1.00 0.00 C ATOM 519 CD GLU A 35 10.313 -9.934 8.993 1.00 0.00 C ATOM 520 OE1 GLU A 35 11.455 -10.436 8.964 1.00 0.00 O ATOM 521 OE2 GLU A 35 10.106 -8.710 9.137 1.00 0.00 O ATOM 0 H GLU A 35 9.079 -12.322 5.148 1.00 0.00 H new ATOM 0 HA GLU A 35 7.416 -10.551 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.535 -12.501 7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.108 -11.833 7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.200 -10.275 8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.131 -11.593 9.649 1.00 0.00 H new ATOM 528 N ASP A 36 10.277 -9.382 5.511 1.00 0.00 N ATOM 529 CA ASP A 36 11.037 -8.154 5.309 1.00 0.00 C ATOM 530 C ASP A 36 10.296 -7.241 4.338 1.00 0.00 C ATOM 531 O ASP A 36 10.113 -6.052 4.599 1.00 0.00 O ATOM 532 CB ASP A 36 12.444 -8.471 4.792 1.00 0.00 C ATOM 533 CG ASP A 36 13.199 -7.235 4.338 1.00 0.00 C ATOM 534 OD1 ASP A 36 12.785 -6.621 3.331 1.00 0.00 O ATOM 535 OD2 ASP A 36 14.204 -6.880 4.989 1.00 0.00 O ATOM 0 H ASP A 36 10.659 -10.200 5.037 1.00 0.00 H new ATOM 0 HA ASP A 36 11.138 -7.639 6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.011 -8.968 5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.371 -9.172 3.960 1.00 0.00 H new ATOM 540 N MET A 37 9.857 -7.817 3.226 1.00 0.00 N ATOM 541 CA MET A 37 9.116 -7.059 2.225 1.00 0.00 C ATOM 542 C MET A 37 7.838 -6.515 2.857 1.00 0.00 C ATOM 543 O MET A 37 7.537 -5.325 2.763 1.00 0.00 O ATOM 544 CB MET A 37 8.778 -7.943 1.024 1.00 0.00 C ATOM 545 CG MET A 37 8.025 -7.214 -0.075 1.00 0.00 C ATOM 546 SD MET A 37 9.118 -6.585 -1.364 1.00 0.00 S ATOM 547 CE MET A 37 8.420 -4.959 -1.635 1.00 0.00 C ATOM 0 H MET A 37 10.000 -8.800 2.995 1.00 0.00 H new ATOM 0 HA MET A 37 9.731 -6.231 1.873 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.701 -8.350 0.612 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.180 -8.789 1.363 1.00 0.00 H new ATOM 0 HG2 MET A 37 7.295 -7.890 -0.520 1.00 0.00 H new ATOM 0 HG3 MET A 37 7.467 -6.385 0.360 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.454 -4.721 -2.698 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.385 -4.946 -1.293 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.995 -4.219 -1.079 1.00 0.00 H new ATOM 557 N VAL A 38 7.097 -7.407 3.505 1.00 0.00 N ATOM 558 CA VAL A 38 5.849 -7.053 4.167 1.00 0.00 C ATOM 559 C VAL A 38 6.074 -5.917 5.162 1.00 0.00 C ATOM 560 O VAL A 38 5.300 -4.961 5.201 1.00 0.00 O ATOM 561 CB VAL A 38 5.255 -8.281 4.899 1.00 0.00 C ATOM 562 CG1 VAL A 38 4.250 -7.870 5.967 1.00 0.00 C ATOM 563 CG2 VAL A 38 4.615 -9.236 3.904 1.00 0.00 C ATOM 0 H VAL A 38 7.345 -8.393 3.586 1.00 0.00 H new ATOM 0 HA VAL A 38 5.144 -6.721 3.405 1.00 0.00 H new ATOM 0 HB VAL A 38 6.076 -8.793 5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.856 -8.760 6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.742 -7.237 6.705 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.432 -7.319 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.203 -10.093 4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.816 -8.722 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.367 -9.578 3.193 1.00 0.00 H new ATOM 573 N THR A 39 7.136 -6.016 5.956 1.00 0.00 N ATOM 574 CA THR A 39 7.443 -4.976 6.929 1.00 0.00 C ATOM 575 C THR A 39 7.754 -3.669 6.211 1.00 0.00 C ATOM 576 O THR A 39 7.451 -2.584 6.708 1.00 0.00 O ATOM 577 CB THR A 39 8.627 -5.392 7.804 1.00 0.00 C ATOM 578 OG1 THR A 39 8.349 -6.605 8.481 1.00 0.00 O ATOM 579 CG2 THR A 39 8.994 -4.358 8.847 1.00 0.00 C ATOM 0 H THR A 39 7.791 -6.797 5.945 1.00 0.00 H new ATOM 0 HA THR A 39 6.574 -4.831 7.571 1.00 0.00 H new ATOM 0 HB THR A 39 9.466 -5.506 7.118 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.922 -7.316 8.126 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.841 -4.716 9.432 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.263 -3.424 8.354 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.143 -4.188 9.506 1.00 0.00 H new ATOM 587 N VAL A 40 8.343 -3.781 5.026 1.00 0.00 N ATOM 588 CA VAL A 40 8.670 -2.609 4.231 1.00 0.00 C ATOM 589 C VAL A 40 7.395 -2.020 3.641 1.00 0.00 C ATOM 590 O VAL A 40 7.247 -0.801 3.536 1.00 0.00 O ATOM 591 CB VAL A 40 9.650 -2.949 3.092 1.00 0.00 C ATOM 592 CG1 VAL A 40 9.998 -1.700 2.294 1.00 0.00 C ATOM 593 CG2 VAL A 40 10.908 -3.603 3.647 1.00 0.00 C ATOM 0 H VAL A 40 8.602 -4.670 4.598 1.00 0.00 H new ATOM 0 HA VAL A 40 9.152 -1.884 4.887 1.00 0.00 H new ATOM 0 HB VAL A 40 9.165 -3.657 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.691 -1.961 1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.090 -1.278 1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.463 -0.966 2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.588 -3.836 2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.397 -2.920 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.640 -4.522 4.169 1.00 0.00 H new ATOM 603 N VAL A 41 6.469 -2.900 3.269 1.00 0.00 N ATOM 604 CA VAL A 41 5.197 -2.478 2.705 1.00 0.00 C ATOM 605 C VAL A 41 4.354 -1.786 3.768 1.00 0.00 C ATOM 606 O VAL A 41 3.845 -0.686 3.553 1.00 0.00 O ATOM 607 CB VAL A 41 4.421 -3.682 2.137 1.00 0.00 C ATOM 608 CG1 VAL A 41 3.138 -3.233 1.459 1.00 0.00 C ATOM 609 CG2 VAL A 41 5.294 -4.471 1.172 1.00 0.00 C ATOM 0 H VAL A 41 6.579 -3.911 3.350 1.00 0.00 H new ATOM 0 HA VAL A 41 5.403 -1.780 1.894 1.00 0.00 H new ATOM 0 HB VAL A 41 4.150 -4.334 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.610 -4.102 1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.505 -2.719 2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.377 -2.554 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.730 -5.318 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.600 -3.826 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.178 -4.835 1.696 1.00 0.00 H new ATOM 619 N GLU A 42 4.226 -2.433 4.925 1.00 0.00 N ATOM 620 CA GLU A 42 3.462 -1.876 6.039 1.00 0.00 C ATOM 621 C GLU A 42 4.003 -0.504 6.410 1.00 0.00 C ATOM 622 O GLU A 42 3.245 0.455 6.553 1.00 0.00 O ATOM 623 CB GLU A 42 3.495 -2.811 7.251 1.00 0.00 C ATOM 624 CG GLU A 42 4.841 -3.438 7.498 1.00 0.00 C ATOM 625 CD GLU A 42 5.523 -2.903 8.743 1.00 0.00 C ATOM 626 OE1 GLU A 42 6.065 -1.780 8.688 1.00 0.00 O ATOM 627 OE2 GLU A 42 5.511 -3.609 9.774 1.00 0.00 O ATOM 0 H GLU A 42 4.642 -3.345 5.115 1.00 0.00 H new ATOM 0 HA GLU A 42 2.424 -1.773 5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.197 -2.252 8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.757 -3.601 7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.722 -4.517 7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.482 -3.261 6.634 1.00 0.00 H new ATOM 634 N ASP A 43 5.321 -0.409 6.546 1.00 0.00 N ATOM 635 CA ASP A 43 5.954 0.858 6.878 1.00 0.00 C ATOM 636 C ASP A 43 5.584 1.916 5.844 1.00 0.00 C ATOM 637 O ASP A 43 5.281 3.056 6.189 1.00 0.00 O ATOM 638 CB ASP A 43 7.473 0.696 6.944 1.00 0.00 C ATOM 639 CG ASP A 43 7.974 0.519 8.365 1.00 0.00 C ATOM 640 OD1 ASP A 43 7.979 1.514 9.120 1.00 0.00 O ATOM 641 OD2 ASP A 43 8.361 -0.614 8.721 1.00 0.00 O ATOM 0 H ASP A 43 5.967 -1.190 6.432 1.00 0.00 H new ATOM 0 HA ASP A 43 5.596 1.179 7.856 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.770 -0.166 6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.949 1.571 6.500 1.00 0.00 H new ATOM 646 N TRP A 44 5.623 1.529 4.568 1.00 0.00 N ATOM 647 CA TRP A 44 5.300 2.460 3.494 1.00 0.00 C ATOM 648 C TRP A 44 3.868 2.972 3.638 1.00 0.00 C ATOM 649 O TRP A 44 3.628 4.177 3.570 1.00 0.00 O ATOM 650 CB TRP A 44 5.475 1.781 2.131 1.00 0.00 C ATOM 651 CG TRP A 44 6.905 1.676 1.689 1.00 0.00 C ATOM 652 CD1 TRP A 44 7.981 2.324 2.224 1.00 0.00 C ATOM 653 CD2 TRP A 44 7.413 0.876 0.614 1.00 0.00 C ATOM 654 NE1 TRP A 44 9.126 1.974 1.550 1.00 0.00 N ATOM 655 CE2 TRP A 44 8.804 1.087 0.557 1.00 0.00 C ATOM 656 CE3 TRP A 44 6.827 -0.001 -0.305 1.00 0.00 C ATOM 657 CZ2 TRP A 44 9.615 0.454 -0.381 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.635 -0.627 -1.236 1.00 0.00 C ATOM 659 CH2 TRP A 44 9.015 -0.397 -1.267 1.00 0.00 C ATOM 0 H TRP A 44 5.872 0.589 4.259 1.00 0.00 H new ATOM 0 HA TRP A 44 5.983 3.307 3.560 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.043 0.781 2.175 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.912 2.339 1.382 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.938 3.012 3.056 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.064 2.319 1.756 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.763 -0.186 -0.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.680 0.629 -0.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 7.194 -1.305 -1.951 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.619 -0.902 -2.006 1.00 0.00 H new ATOM 670 N MET A 45 2.916 2.060 3.825 1.00 0.00 N ATOM 671 CA MET A 45 1.515 2.449 3.966 1.00 0.00 C ATOM 672 C MET A 45 1.285 3.236 5.253 1.00 0.00 C ATOM 673 O MET A 45 0.458 4.146 5.294 1.00 0.00 O ATOM 674 CB MET A 45 0.603 1.214 3.929 1.00 0.00 C ATOM 675 CG MET A 45 1.027 0.099 4.875 1.00 0.00 C ATOM 676 SD MET A 45 -0.139 -1.282 4.894 1.00 0.00 S ATOM 677 CE MET A 45 0.896 -2.633 4.327 1.00 0.00 C ATOM 0 H MET A 45 3.087 1.056 3.882 1.00 0.00 H new ATOM 0 HA MET A 45 1.265 3.095 3.124 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.414 1.519 4.177 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.580 0.823 2.912 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.011 -0.266 4.582 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.124 0.501 5.883 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.409 -3.140 3.494 1.00 0.00 H new ATOM 0 HE2 MET A 45 1.859 -2.241 4.000 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.050 -3.340 5.142 1.00 0.00 H new ATOM 687 N ASN A 46 2.019 2.882 6.304 1.00 0.00 N ATOM 688 CA ASN A 46 1.884 3.568 7.586 1.00 0.00 C ATOM 689 C ASN A 46 2.503 4.961 7.523 1.00 0.00 C ATOM 690 O ASN A 46 2.002 5.906 8.140 1.00 0.00 O ATOM 691 CB ASN A 46 2.531 2.751 8.705 1.00 0.00 C ATOM 692 CG ASN A 46 1.601 1.685 9.253 1.00 0.00 C ATOM 693 OD1 ASN A 46 0.485 1.980 9.679 1.00 0.00 O ATOM 694 ND2 ASN A 46 2.058 0.439 9.241 1.00 0.00 N ATOM 0 H ASN A 46 2.708 2.130 6.295 1.00 0.00 H new ATOM 0 HA ASN A 46 0.821 3.673 7.802 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.439 2.279 8.329 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.830 3.419 9.513 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.477 -0.321 9.595 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.990 0.241 8.878 1.00 0.00 H new ATOM 701 N PHE A 47 3.584 5.098 6.765 1.00 0.00 N ATOM 702 CA PHE A 47 4.232 6.392 6.626 1.00 0.00 C ATOM 703 C PHE A 47 3.376 7.293 5.759 1.00 0.00 C ATOM 704 O PHE A 47 3.240 8.477 6.035 1.00 0.00 O ATOM 705 CB PHE A 47 5.649 6.246 6.041 1.00 0.00 C ATOM 706 CG PHE A 47 5.868 6.974 4.737 1.00 0.00 C ATOM 707 CD1 PHE A 47 6.122 8.340 4.714 1.00 0.00 C ATOM 708 CD2 PHE A 47 5.817 6.288 3.534 1.00 0.00 C ATOM 709 CE1 PHE A 47 6.320 9.001 3.516 1.00 0.00 C ATOM 710 CE2 PHE A 47 6.014 6.945 2.335 1.00 0.00 C ATOM 711 CZ PHE A 47 6.266 8.302 2.326 1.00 0.00 C ATOM 0 H PHE A 47 4.024 4.339 6.244 1.00 0.00 H new ATOM 0 HA PHE A 47 4.336 6.842 7.613 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.369 6.613 6.772 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.859 5.187 5.890 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.165 8.891 5.642 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.621 5.226 3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.517 10.063 3.511 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.971 6.397 1.405 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.421 8.817 1.389 1.00 0.00 H new ATOM 721 N TYR A 48 2.787 6.722 4.718 1.00 0.00 N ATOM 722 CA TYR A 48 1.930 7.489 3.830 1.00 0.00 C ATOM 723 C TYR A 48 0.704 7.974 4.588 1.00 0.00 C ATOM 724 O TYR A 48 0.331 9.137 4.495 1.00 0.00 O ATOM 725 CB TYR A 48 1.516 6.650 2.622 1.00 0.00 C ATOM 726 CG TYR A 48 2.442 6.803 1.436 1.00 0.00 C ATOM 727 CD1 TYR A 48 2.851 8.061 1.002 1.00 0.00 C ATOM 728 CD2 TYR A 48 2.906 5.690 0.747 1.00 0.00 C ATOM 729 CE1 TYR A 48 3.694 8.201 -0.083 1.00 0.00 C ATOM 730 CE2 TYR A 48 3.750 5.823 -0.338 1.00 0.00 C ATOM 731 CZ TYR A 48 4.141 7.080 -0.749 1.00 0.00 C ATOM 732 OH TYR A 48 4.982 7.216 -1.828 1.00 0.00 O ATOM 0 H TYR A 48 2.886 5.738 4.470 1.00 0.00 H new ATOM 0 HA TYR A 48 2.486 8.353 3.466 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.482 5.600 2.913 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.506 6.931 2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.504 8.941 1.522 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.602 4.704 1.065 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.001 9.184 -0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.102 4.947 -0.862 1.00 0.00 H new ATOM 0 HH TYR A 48 5.168 8.166 -1.980 1.00 0.00 H new ATOM 742 N ILE A 49 0.069 7.072 5.329 1.00 0.00 N ATOM 743 CA ILE A 49 -1.121 7.427 6.094 1.00 0.00 C ATOM 744 C ILE A 49 -0.836 8.574 7.070 1.00 0.00 C ATOM 745 O ILE A 49 -1.584 9.555 7.119 1.00 0.00 O ATOM 746 CB ILE A 49 -1.687 6.213 6.868 1.00 0.00 C ATOM 747 CG1 ILE A 49 -3.006 6.583 7.543 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.693 5.706 7.893 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.807 5.385 8.003 1.00 0.00 C ATOM 0 H ILE A 49 0.356 6.097 5.416 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.869 7.756 5.373 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.870 5.411 6.152 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.799 7.222 8.401 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.609 7.168 6.848 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.118 4.853 8.421 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.225 5.401 7.390 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.469 6.499 8.606 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.730 5.723 8.473 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.046 4.756 7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.223 4.811 8.723 1.00 0.00 H new ATOM 761 N ASN A 50 0.246 8.455 7.841 1.00 0.00 N ATOM 762 CA ASN A 50 0.608 9.493 8.808 1.00 0.00 C ATOM 763 C ASN A 50 1.149 10.739 8.106 1.00 0.00 C ATOM 764 O ASN A 50 0.920 11.866 8.544 1.00 0.00 O ATOM 765 CB ASN A 50 1.653 8.957 9.789 1.00 0.00 C ATOM 766 CG ASN A 50 1.707 9.759 11.074 1.00 0.00 C ATOM 767 OD1 ASN A 50 0.900 9.556 11.981 1.00 0.00 O ATOM 768 ND2 ASN A 50 2.661 10.679 11.157 1.00 0.00 N ATOM 0 H ASN A 50 0.882 7.658 7.816 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.293 9.772 9.354 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.427 7.917 10.023 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.634 8.971 9.314 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.746 11.251 11.997 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.309 10.813 10.381 1.00 0.00 H new ATOM 775 N TYR A 51 1.881 10.513 7.028 1.00 0.00 N ATOM 776 CA TYR A 51 2.489 11.584 6.247 1.00 0.00 C ATOM 777 C TYR A 51 1.436 12.425 5.527 1.00 0.00 C ATOM 778 O TYR A 51 1.537 13.650 5.469 1.00 0.00 O ATOM 779 CB TYR A 51 3.451 10.957 5.239 1.00 0.00 C ATOM 780 CG TYR A 51 4.169 11.934 4.347 1.00 0.00 C ATOM 781 CD1 TYR A 51 3.567 12.431 3.201 1.00 0.00 C ATOM 782 CD2 TYR A 51 5.462 12.336 4.642 1.00 0.00 C ATOM 783 CE1 TYR A 51 4.236 13.306 2.372 1.00 0.00 C ATOM 784 CE2 TYR A 51 6.137 13.213 3.821 1.00 0.00 C ATOM 785 CZ TYR A 51 5.523 13.696 2.686 1.00 0.00 C ATOM 786 OH TYR A 51 6.195 14.569 1.863 1.00 0.00 O ATOM 0 H TYR A 51 2.073 9.579 6.666 1.00 0.00 H new ATOM 0 HA TYR A 51 3.026 12.254 6.918 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.193 10.373 5.783 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.893 10.260 4.613 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.560 12.128 2.954 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.948 11.956 5.529 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.756 13.685 1.482 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.143 13.520 4.066 1.00 0.00 H new ATOM 0 HH TYR A 51 7.088 14.741 2.228 1.00 0.00 H new ATOM 796 N TYR A 52 0.434 11.755 4.975 1.00 0.00 N ATOM 797 CA TYR A 52 -0.635 12.428 4.250 1.00 0.00 C ATOM 798 C TYR A 52 -1.601 13.135 5.192 1.00 0.00 C ATOM 799 O TYR A 52 -2.042 14.245 4.907 1.00 0.00 O ATOM 800 CB TYR A 52 -1.395 11.428 3.382 1.00 0.00 C ATOM 801 CG TYR A 52 -0.603 10.948 2.190 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.108 11.843 1.402 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.562 9.602 1.855 1.00 0.00 C ATOM 804 CE1 TYR A 52 0.841 11.410 0.315 1.00 0.00 C ATOM 805 CE2 TYR A 52 0.165 9.161 0.769 1.00 0.00 C ATOM 806 CZ TYR A 52 0.866 10.069 0.001 1.00 0.00 C ATOM 807 OH TYR A 52 1.598 9.634 -1.080 1.00 0.00 O ATOM 0 H TYR A 52 0.339 10.740 5.016 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.174 13.185 3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.677 10.569 3.991 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.319 11.889 3.033 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.087 12.895 1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.108 8.888 2.454 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.392 12.119 -0.286 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.186 8.110 0.521 1.00 0.00 H new ATOM 0 HH TYR A 52 1.993 8.760 -0.877 1.00 0.00 H new ATOM 817 N ARG A 53 -1.923 12.502 6.319 1.00 0.00 N ATOM 818 CA ARG A 53 -2.838 13.105 7.285 1.00 0.00 C ATOM 819 C ARG A 53 -2.300 14.445 7.774 1.00 0.00 C ATOM 820 O ARG A 53 -3.064 15.363 8.072 1.00 0.00 O ATOM 821 CB ARG A 53 -3.065 12.165 8.474 1.00 0.00 C ATOM 822 CG ARG A 53 -1.825 11.952 9.327 1.00 0.00 C ATOM 823 CD ARG A 53 -2.167 11.330 10.673 1.00 0.00 C ATOM 824 NE ARG A 53 -2.557 9.926 10.550 1.00 0.00 N ATOM 825 CZ ARG A 53 -3.820 9.500 10.525 1.00 0.00 C ATOM 826 NH1 ARG A 53 -4.827 10.362 10.610 1.00 0.00 N ATOM 827 NH2 ARG A 53 -4.077 8.204 10.416 1.00 0.00 N ATOM 0 H ARG A 53 -1.569 11.583 6.583 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.792 13.274 6.785 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.861 12.570 9.099 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.411 11.200 8.103 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.124 11.308 8.796 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.323 12.907 9.484 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.306 11.409 11.337 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.979 11.892 11.135 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.816 9.229 10.479 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.638 11.361 10.695 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.790 10.025 10.590 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.309 7.535 10.352 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.042 7.875 10.397 1.00 0.00 H new ATOM 841 N GLN A 54 -0.978 14.545 7.861 1.00 0.00 N ATOM 842 CA GLN A 54 -0.328 15.765 8.323 1.00 0.00 C ATOM 843 C GLN A 54 -0.033 16.717 7.158 1.00 0.00 C ATOM 844 O GLN A 54 0.312 17.878 7.373 1.00 0.00 O ATOM 845 CB GLN A 54 0.964 15.398 9.079 1.00 0.00 C ATOM 846 CG GLN A 54 2.242 16.039 8.539 1.00 0.00 C ATOM 847 CD GLN A 54 3.479 15.191 8.780 1.00 0.00 C ATOM 848 OE1 GLN A 54 4.416 15.206 7.982 1.00 0.00 O ATOM 849 NE2 GLN A 54 3.495 14.445 9.882 1.00 0.00 N ATOM 0 H GLN A 54 -0.334 13.793 7.617 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.003 16.289 9.000 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.847 15.684 10.124 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.083 14.315 9.057 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.130 16.213 7.469 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.379 17.013 9.008 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.699 14.460 10.519 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.304 13.859 10.089 1.00 0.00 H new ATOM 858 N GLN A 55 -0.142 16.213 5.931 1.00 0.00 N ATOM 859 CA GLN A 55 0.144 17.022 4.750 1.00 0.00 C ATOM 860 C GLN A 55 -1.118 17.620 4.123 1.00 0.00 C ATOM 861 O GLN A 55 -1.026 18.410 3.183 1.00 0.00 O ATOM 862 CB GLN A 55 0.878 16.177 3.708 1.00 0.00 C ATOM 863 CG GLN A 55 1.617 16.999 2.666 1.00 0.00 C ATOM 864 CD GLN A 55 2.959 17.497 3.165 1.00 0.00 C ATOM 865 OE1 GLN A 55 3.161 18.698 3.347 1.00 0.00 O ATOM 866 NE2 GLN A 55 3.886 16.573 3.388 1.00 0.00 N ATOM 0 H GLN A 55 -0.425 15.254 5.730 1.00 0.00 H new ATOM 0 HA GLN A 55 0.770 17.852 5.077 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.590 15.527 4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.159 15.531 3.205 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.767 16.395 1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.002 17.851 2.376 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.675 15.589 3.224 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.809 16.847 3.724 1.00 0.00 H new ATOM 927 N PRO A 60 -11.768 19.486 7.024 1.00 0.00 N ATOM 928 CA PRO A 60 -11.397 18.179 7.574 1.00 0.00 C ATOM 929 C PRO A 60 -11.994 17.027 6.774 1.00 0.00 C ATOM 930 O PRO A 60 -11.393 15.958 6.662 1.00 0.00 O ATOM 931 CB PRO A 60 -11.977 18.205 8.991 1.00 0.00 C ATOM 932 CG PRO A 60 -13.092 19.191 8.926 1.00 0.00 C ATOM 933 CD PRO A 60 -12.668 20.230 7.925 1.00 0.00 C ATOM 0 HA PRO A 60 -10.319 18.018 7.547 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.336 17.220 9.290 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.225 18.505 9.721 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -14.021 18.710 8.620 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.273 19.641 9.902 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -13.522 20.644 7.389 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.157 21.065 8.404 1.00 0.00 H new ATOM 941 N GLN A 61 -13.181 17.253 6.216 1.00 0.00 N ATOM 942 CA GLN A 61 -13.863 16.236 5.424 1.00 0.00 C ATOM 943 C GLN A 61 -12.983 15.769 4.269 1.00 0.00 C ATOM 944 O GLN A 61 -12.973 14.588 3.917 1.00 0.00 O ATOM 945 CB GLN A 61 -15.189 16.784 4.889 1.00 0.00 C ATOM 946 CG GLN A 61 -16.380 15.888 5.185 1.00 0.00 C ATOM 947 CD GLN A 61 -17.447 15.964 4.112 1.00 0.00 C ATOM 948 OE1 GLN A 61 -18.427 16.697 4.244 1.00 0.00 O ATOM 949 NE2 GLN A 61 -17.261 15.204 3.039 1.00 0.00 N ATOM 0 H GLN A 61 -13.690 18.133 6.299 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.067 15.380 6.068 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -15.368 17.768 5.323 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -15.107 16.922 3.811 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -16.039 14.857 5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -16.814 16.171 6.144 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -16.434 14.611 2.971 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.945 15.213 2.283 1.00 0.00 H new ATOM 958 N GLU A 62 -12.240 16.703 3.690 1.00 0.00 N ATOM 959 CA GLU A 62 -11.347 16.393 2.582 1.00 0.00 C ATOM 960 C GLU A 62 -10.220 15.484 3.051 1.00 0.00 C ATOM 961 O GLU A 62 -9.856 14.519 2.375 1.00 0.00 O ATOM 962 CB GLU A 62 -10.767 17.682 1.993 1.00 0.00 C ATOM 963 CG GLU A 62 -10.020 17.477 0.685 1.00 0.00 C ATOM 964 CD GLU A 62 -10.618 18.273 -0.460 1.00 0.00 C ATOM 965 OE1 GLU A 62 -10.367 19.494 -0.529 1.00 0.00 O ATOM 966 OE2 GLU A 62 -11.335 17.673 -1.287 1.00 0.00 O ATOM 0 H GLU A 62 -12.238 17.684 3.970 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.918 15.877 1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.577 18.393 1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.091 18.131 2.720 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.977 17.766 0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.028 16.418 0.429 1.00 0.00 H new ATOM 973 N ARG A 63 -9.672 15.795 4.222 1.00 0.00 N ATOM 974 CA ARG A 63 -8.588 14.999 4.781 1.00 0.00 C ATOM 975 C ARG A 63 -9.083 13.596 5.097 1.00 0.00 C ATOM 976 O ARG A 63 -8.469 12.606 4.704 1.00 0.00 O ATOM 977 CB ARG A 63 -8.043 15.661 6.053 1.00 0.00 C ATOM 978 CG ARG A 63 -7.960 17.181 5.976 1.00 0.00 C ATOM 979 CD ARG A 63 -7.716 17.802 7.343 1.00 0.00 C ATOM 980 NE ARG A 63 -6.364 18.343 7.461 1.00 0.00 N ATOM 981 CZ ARG A 63 -5.313 17.638 7.873 1.00 0.00 C ATOM 982 NH1 ARG A 63 -5.448 16.362 8.212 1.00 0.00 N ATOM 983 NH2 ARG A 63 -4.120 18.212 7.944 1.00 0.00 N ATOM 0 H ARG A 63 -9.959 16.587 4.797 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.785 14.936 4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.678 15.385 6.894 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.049 15.263 6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.156 17.467 5.298 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.886 17.575 5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.442 18.597 7.516 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.876 17.051 8.117 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.216 19.321 7.212 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.363 15.914 8.158 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.637 15.829 8.527 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.009 19.192 7.683 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.313 17.674 8.259 1.00 0.00 H new ATOM 997 N ASP A 64 -10.184 13.520 5.835 1.00 0.00 N ATOM 998 CA ASP A 64 -10.746 12.234 6.231 1.00 0.00 C ATOM 999 C ASP A 64 -11.007 11.346 5.021 1.00 0.00 C ATOM 1000 O ASP A 64 -10.743 10.144 5.061 1.00 0.00 O ATOM 1001 CB ASP A 64 -12.045 12.437 7.013 1.00 0.00 C ATOM 1002 CG ASP A 64 -12.437 11.206 7.808 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -11.896 11.021 8.919 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -13.283 10.428 7.320 1.00 0.00 O ATOM 0 H ASP A 64 -10.704 14.331 6.171 1.00 0.00 H new ATOM 0 HA ASP A 64 -10.015 11.737 6.869 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.930 13.283 7.691 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.848 12.690 6.320 1.00 0.00 H new ATOM 1009 N LYS A 65 -11.521 11.930 3.944 1.00 0.00 N ATOM 1010 CA LYS A 65 -11.803 11.164 2.738 1.00 0.00 C ATOM 1011 C LYS A 65 -10.511 10.737 2.053 1.00 0.00 C ATOM 1012 O LYS A 65 -10.440 9.667 1.448 1.00 0.00 O ATOM 1013 CB LYS A 65 -12.662 11.987 1.776 1.00 0.00 C ATOM 1014 CG LYS A 65 -12.979 11.269 0.474 1.00 0.00 C ATOM 1015 CD LYS A 65 -12.802 12.184 -0.727 1.00 0.00 C ATOM 1016 CE LYS A 65 -14.039 12.195 -1.611 1.00 0.00 C ATOM 1017 NZ LYS A 65 -13.854 11.367 -2.833 1.00 0.00 N ATOM 0 H LYS A 65 -11.749 12.922 3.882 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.353 10.267 3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.596 12.251 2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.146 12.920 1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.329 10.400 0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.004 10.899 0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.590 13.197 -0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.941 11.857 -1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.893 11.822 -1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.271 13.220 -1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.719 11.400 -3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.055 11.738 -3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.658 10.383 -2.559 1.00 0.00 H new ATOM 1031 N ALA A 66 -9.486 11.573 2.158 1.00 0.00 N ATOM 1032 CA ALA A 66 -8.199 11.264 1.556 1.00 0.00 C ATOM 1033 C ALA A 66 -7.487 10.166 2.338 1.00 0.00 C ATOM 1034 O ALA A 66 -6.913 9.244 1.756 1.00 0.00 O ATOM 1035 CB ALA A 66 -7.333 12.512 1.483 1.00 0.00 C ATOM 0 H ALA A 66 -9.522 12.465 2.652 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.374 10.903 0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.373 12.263 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.834 13.268 0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.170 12.901 2.488 1.00 0.00 H new ATOM 1041 N LEU A 67 -7.530 10.273 3.663 1.00 0.00 N ATOM 1042 CA LEU A 67 -6.888 9.295 4.531 1.00 0.00 C ATOM 1043 C LEU A 67 -7.623 7.962 4.498 1.00 0.00 C ATOM 1044 O LEU A 67 -6.997 6.902 4.508 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.830 9.819 5.966 1.00 0.00 C ATOM 1046 CG LEU A 67 -5.622 10.697 6.296 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.360 11.705 5.185 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -5.838 11.408 7.623 1.00 0.00 C ATOM 0 H LEU A 67 -8.004 11.029 4.158 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.874 9.136 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.737 10.390 6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.835 8.967 6.646 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.745 10.056 6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.496 12.317 5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.163 11.176 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.233 12.345 5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.972 12.030 7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.728 12.034 7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.970 10.670 8.414 1.00 0.00 H new ATOM 1060 N GLN A 68 -8.952 8.011 4.448 1.00 0.00 N ATOM 1061 CA GLN A 68 -9.740 6.790 4.404 1.00 0.00 C ATOM 1062 C GLN A 68 -9.530 6.091 3.068 1.00 0.00 C ATOM 1063 O GLN A 68 -9.403 4.869 3.007 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.224 7.085 4.634 1.00 0.00 C ATOM 1065 CG GLN A 68 -11.867 7.904 3.530 1.00 0.00 C ATOM 1066 CD GLN A 68 -12.261 7.063 2.332 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -12.611 5.891 2.470 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -12.204 7.659 1.146 1.00 0.00 N ATOM 0 H GLN A 68 -9.497 8.873 4.437 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.407 6.131 5.205 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.761 6.141 4.733 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.336 7.616 5.579 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.751 8.406 3.923 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.174 8.683 3.210 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.908 8.633 1.078 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.456 7.143 0.303 1.00 0.00 H new ATOM 1077 N GLU A 69 -9.476 6.880 1.998 1.00 0.00 N ATOM 1078 CA GLU A 69 -9.260 6.337 0.669 1.00 0.00 C ATOM 1079 C GLU A 69 -7.864 5.736 0.571 1.00 0.00 C ATOM 1080 O GLU A 69 -7.655 4.735 -0.114 1.00 0.00 O ATOM 1081 CB GLU A 69 -9.443 7.424 -0.395 1.00 0.00 C ATOM 1082 CG GLU A 69 -9.746 6.878 -1.781 1.00 0.00 C ATOM 1083 CD GLU A 69 -9.486 7.892 -2.878 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -8.301 8.151 -3.177 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -10.466 8.424 -3.439 1.00 0.00 O ATOM 0 H GLU A 69 -9.579 7.894 2.030 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.997 5.554 0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.253 8.086 -0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.538 8.029 -0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.137 5.992 -1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.788 6.562 -1.823 1.00 0.00 H new ATOM 1092 N LEU A 70 -6.909 6.349 1.269 1.00 0.00 N ATOM 1093 CA LEU A 70 -5.536 5.858 1.263 1.00 0.00 C ATOM 1094 C LEU A 70 -5.467 4.492 1.933 1.00 0.00 C ATOM 1095 O LEU A 70 -4.896 3.547 1.388 1.00 0.00 O ATOM 1096 CB LEU A 70 -4.623 6.848 2.000 1.00 0.00 C ATOM 1097 CG LEU A 70 -3.822 7.819 1.121 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -2.427 7.277 0.860 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -4.543 8.098 -0.192 1.00 0.00 C ATOM 0 H LEU A 70 -7.061 7.180 1.841 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.199 5.763 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.236 7.433 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.920 6.278 2.608 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.732 8.762 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.875 7.979 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.904 7.146 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.499 6.317 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.951 8.789 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.677 7.165 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.517 8.540 0.015 1.00 0.00 H new ATOM 1111 N ARG A 71 -6.052 4.399 3.121 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.060 3.152 3.877 1.00 0.00 C ATOM 1113 C ARG A 71 -6.721 2.037 3.076 1.00 0.00 C ATOM 1114 O ARG A 71 -6.227 0.909 3.042 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.784 3.336 5.212 1.00 0.00 C ATOM 1116 CG ARG A 71 -6.543 2.199 6.194 1.00 0.00 C ATOM 1117 CD ARG A 71 -7.539 2.228 7.343 1.00 0.00 C ATOM 1118 NE ARG A 71 -7.618 3.545 7.970 1.00 0.00 N ATOM 1119 CZ ARG A 71 -8.135 3.759 9.179 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -8.613 2.747 9.893 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -8.172 4.988 9.676 1.00 0.00 N ATOM 0 H ARG A 71 -6.528 5.174 3.583 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.025 2.872 4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.460 4.273 5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.854 3.425 5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.617 1.245 5.672 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.529 2.268 6.589 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.525 1.943 6.975 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.251 1.488 8.090 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.257 4.346 7.453 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.586 1.799 9.517 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.008 2.917 10.818 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.805 5.769 9.133 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.568 5.152 10.602 1.00 0.00 H new ATOM 1135 N GLN A 72 -7.836 2.357 2.428 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.551 1.377 1.624 1.00 0.00 C ATOM 1137 C GLN A 72 -7.740 1.012 0.389 1.00 0.00 C ATOM 1138 O GLN A 72 -7.656 -0.155 0.011 1.00 0.00 O ATOM 1139 CB GLN A 72 -9.921 1.921 1.211 1.00 0.00 C ATOM 1140 CG GLN A 72 -10.894 0.845 0.755 1.00 0.00 C ATOM 1141 CD GLN A 72 -12.336 1.310 0.794 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -12.822 1.777 1.824 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -13.030 1.185 -0.330 1.00 0.00 N ATOM 0 H GLN A 72 -8.262 3.284 2.444 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.698 0.480 2.225 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.357 2.460 2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.788 2.643 0.405 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.642 0.539 -0.260 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.782 -0.034 1.390 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.588 0.793 -1.161 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -14.005 1.481 -0.363 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.136 2.021 -0.231 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.321 1.810 -1.419 1.00 0.00 C ATOM 1154 C GLU A 73 -5.160 0.871 -1.115 1.00 0.00 C ATOM 1155 O GLU A 73 -4.922 -0.091 -1.843 1.00 0.00 O ATOM 1156 CB GLU A 73 -5.790 3.148 -1.943 1.00 0.00 C ATOM 1157 CG GLU A 73 -6.587 3.707 -3.109 1.00 0.00 C ATOM 1158 CD GLU A 73 -6.402 2.904 -4.382 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -7.038 1.837 -4.509 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -5.621 3.343 -5.252 1.00 0.00 O ATOM 0 H GLU A 73 -7.197 2.993 0.071 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.946 1.352 -2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.795 3.874 -1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.752 3.021 -2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.645 3.725 -2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.286 4.739 -3.288 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.446 1.149 -0.026 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.320 0.318 0.379 1.00 0.00 C ATOM 1169 C LEU A 74 -3.796 -1.062 0.820 1.00 0.00 C ATOM 1170 O LEU A 74 -3.211 -2.075 0.452 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.547 0.995 1.513 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.032 2.399 1.193 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -1.979 3.249 2.453 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.661 2.327 0.536 1.00 0.00 C ATOM 0 H LEU A 74 -4.629 1.942 0.589 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.659 0.195 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.192 1.052 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.699 0.365 1.782 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.723 2.868 0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.610 4.244 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.978 3.328 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.310 2.784 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.310 3.335 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.041 1.838 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.731 1.756 -0.390 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.852 -1.095 1.624 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.395 -2.357 2.123 1.00 0.00 C ATOM 1188 C ASN A 75 -5.686 -3.322 0.974 1.00 0.00 C ATOM 1189 O ASN A 75 -5.393 -4.514 1.062 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.668 -2.100 2.930 1.00 0.00 C ATOM 1191 CG ASN A 75 -7.088 -3.301 3.755 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -6.251 -4.083 4.204 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -8.391 -3.450 3.959 1.00 0.00 N ATOM 0 H ASN A 75 -5.350 -0.265 1.945 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.648 -2.816 2.771 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.509 -1.248 3.591 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.476 -1.830 2.250 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.734 -4.238 4.508 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.049 -2.776 3.567 1.00 0.00 H new ATOM 1200 N THR A 76 -6.244 -2.791 -0.109 1.00 0.00 N ATOM 1201 CA THR A 76 -6.543 -3.619 -1.275 1.00 0.00 C ATOM 1202 C THR A 76 -5.286 -3.811 -2.122 1.00 0.00 C ATOM 1203 O THR A 76 -4.927 -4.929 -2.474 1.00 0.00 O ATOM 1204 CB THR A 76 -7.652 -2.981 -2.115 1.00 0.00 C ATOM 1205 OG1 THR A 76 -7.645 -1.570 -1.975 1.00 0.00 O ATOM 1206 CG2 THR A 76 -9.038 -3.474 -1.753 1.00 0.00 C ATOM 0 H THR A 76 -6.496 -1.807 -0.205 1.00 0.00 H new ATOM 0 HA THR A 76 -6.887 -4.594 -0.928 1.00 0.00 H new ATOM 0 HB THR A 76 -7.437 -3.274 -3.143 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.014 -1.326 -1.100 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.776 -2.982 -2.386 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.092 -4.552 -1.904 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.245 -3.243 -0.708 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.642 -2.701 -2.457 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.436 -2.710 -3.285 1.00 0.00 C ATOM 1216 C LEU A 77 -2.366 -3.671 -2.754 1.00 0.00 C ATOM 1217 O LEU A 77 -1.744 -4.406 -3.520 1.00 0.00 O ATOM 1218 CB LEU A 77 -2.861 -1.291 -3.367 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.586 -0.348 -4.331 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -2.997 1.055 -4.253 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.514 -0.879 -5.754 1.00 0.00 C ATOM 0 H LEU A 77 -4.937 -1.769 -2.165 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.723 -3.062 -4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.880 -0.850 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.815 -1.357 -3.666 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.634 -0.297 -4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.525 1.710 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.103 1.438 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.941 1.021 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.035 -0.195 -6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.471 -0.962 -6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.985 -1.861 -5.800 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.148 -3.641 -1.445 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.142 -4.488 -0.800 1.00 0.00 C ATOM 1235 C ALA A 78 -1.588 -5.945 -0.668 1.00 0.00 C ATOM 1236 O ALA A 78 -0.757 -6.852 -0.612 1.00 0.00 O ATOM 1237 CB ALA A 78 -0.796 -3.923 0.569 1.00 0.00 C ATOM 0 H ALA A 78 -2.657 -3.035 -0.801 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.260 -4.485 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.047 -4.556 1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.399 -2.914 0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.693 -3.893 1.188 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.894 -6.160 -0.554 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.435 -7.505 -0.353 1.00 0.00 C ATOM 1245 C ASN A 79 -2.895 -8.519 -1.366 1.00 0.00 C ATOM 1246 O ASN A 79 -2.439 -9.594 -0.977 1.00 0.00 O ATOM 1247 CB ASN A 79 -4.962 -7.467 -0.426 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.613 -8.479 0.497 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.642 -8.296 1.714 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -6.137 -9.554 -0.078 1.00 0.00 N ATOM 0 H ASN A 79 -3.599 -5.424 -0.597 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.112 -7.834 0.635 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.310 -6.467 -0.167 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.278 -7.659 -1.451 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.587 -10.270 0.493 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.090 -9.665 -1.091 1.00 0.00 H new ATOM 1257 N PRO A 80 -2.930 -8.212 -2.672 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.431 -9.132 -3.696 1.00 0.00 C ATOM 1259 C PRO A 80 -0.908 -9.229 -3.700 1.00 0.00 C ATOM 1260 O PRO A 80 -0.340 -10.217 -4.173 1.00 0.00 O ATOM 1261 CB PRO A 80 -2.930 -8.514 -5.002 1.00 0.00 C ATOM 1262 CG PRO A 80 -3.068 -7.062 -4.704 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.456 -6.966 -3.254 1.00 0.00 C ATOM 0 HA PRO A 80 -2.779 -10.152 -3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.226 -8.686 -5.816 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.882 -8.948 -5.307 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.132 -6.535 -4.892 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.825 -6.604 -5.341 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.020 -6.087 -2.780 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.537 -6.891 -3.132 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.248 -8.207 -3.161 1.00 0.00 N ATOM 1272 CA PHE A 81 1.208 -8.172 -3.098 1.00 0.00 C ATOM 1273 C PHE A 81 1.731 -9.133 -2.036 1.00 0.00 C ATOM 1274 O PHE A 81 2.577 -9.980 -2.317 1.00 0.00 O ATOM 1275 CB PHE A 81 1.662 -6.740 -2.785 1.00 0.00 C ATOM 1276 CG PHE A 81 3.134 -6.476 -2.979 1.00 0.00 C ATOM 1277 CD1 PHE A 81 4.019 -7.493 -3.307 1.00 0.00 C ATOM 1278 CD2 PHE A 81 3.629 -5.190 -2.830 1.00 0.00 C ATOM 1279 CE1 PHE A 81 5.366 -7.231 -3.479 1.00 0.00 C ATOM 1280 CE2 PHE A 81 4.973 -4.922 -3.000 1.00 0.00 C ATOM 1281 CZ PHE A 81 5.843 -5.943 -3.324 1.00 0.00 C ATOM 0 H PHE A 81 -0.704 -7.388 -2.759 1.00 0.00 H new ATOM 0 HA PHE A 81 1.612 -8.485 -4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.100 -6.052 -3.416 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.401 -6.511 -1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.652 -8.501 -3.429 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.954 -4.386 -2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.044 -8.032 -3.734 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.343 -3.914 -2.880 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.895 -5.736 -3.456 1.00 0.00 H new ATOM 1291 N LEU A 82 1.228 -8.995 -0.816 1.00 0.00 N ATOM 1292 CA LEU A 82 1.654 -9.853 0.281 1.00 0.00 C ATOM 1293 C LEU A 82 1.368 -11.314 -0.035 1.00 0.00 C ATOM 1294 O LEU A 82 2.259 -12.158 0.044 1.00 0.00 O ATOM 1295 CB LEU A 82 0.953 -9.446 1.579 1.00 0.00 C ATOM 1296 CG LEU A 82 1.010 -7.951 1.901 1.00 0.00 C ATOM 1297 CD1 LEU A 82 0.260 -7.652 3.189 1.00 0.00 C ATOM 1298 CD2 LEU A 82 2.455 -7.485 1.998 1.00 0.00 C ATOM 0 H LEU A 82 0.527 -8.299 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 82 2.730 -9.733 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.092 -9.751 1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.401 -9.998 2.405 1.00 0.00 H new ATOM 0 HG LEU A 82 0.526 -7.404 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.312 -6.584 3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.783 -7.950 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.712 -8.207 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.479 -6.420 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.963 -8.038 2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.959 -7.663 1.048 1.00 0.00 H new ATOM 1310 N ALA A 83 0.125 -11.608 -0.399 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.264 -12.972 -0.731 1.00 0.00 C ATOM 1312 C ALA A 83 0.615 -13.524 -1.842 1.00 0.00 C ATOM 1313 O ALA A 83 1.151 -14.629 -1.737 1.00 0.00 O ATOM 1314 CB ALA A 83 -1.732 -13.029 -1.126 1.00 0.00 C ATOM 0 H ALA A 83 -0.627 -10.923 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.125 -13.594 0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.003 -14.056 -1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.346 -12.679 -0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.900 -12.393 -1.995 1.00 0.00 H new ATOM 1320 N LYS A 84 0.780 -12.742 -2.901 1.00 0.00 N ATOM 1321 CA LYS A 84 1.617 -13.158 -4.013 1.00 0.00 C ATOM 1322 C LYS A 84 3.037 -13.415 -3.521 1.00 0.00 C ATOM 1323 O LYS A 84 3.658 -14.419 -3.870 1.00 0.00 O ATOM 1324 CB LYS A 84 1.622 -12.087 -5.106 1.00 0.00 C ATOM 1325 CG LYS A 84 2.379 -12.500 -6.356 1.00 0.00 C ATOM 1326 CD LYS A 84 1.738 -13.705 -7.027 1.00 0.00 C ATOM 1327 CE LYS A 84 2.772 -14.760 -7.387 1.00 0.00 C ATOM 1328 NZ LYS A 84 3.879 -14.198 -8.211 1.00 0.00 N ATOM 0 H LYS A 84 0.348 -11.824 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 84 1.213 -14.079 -4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.593 -11.850 -5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.065 -11.174 -4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.408 -11.666 -7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.411 -12.734 -6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.991 -14.138 -6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.215 -13.385 -7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.183 -15.192 -6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.289 -15.570 -7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.322 -14.960 -8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.499 -13.477 -8.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.590 -13.764 -7.588 1.00 0.00 H new ATOM 1342 N TYR A 85 3.548 -12.488 -2.717 1.00 0.00 N ATOM 1343 CA TYR A 85 4.899 -12.620 -2.192 1.00 0.00 C ATOM 1344 C TYR A 85 5.041 -13.903 -1.376 1.00 0.00 C ATOM 1345 O TYR A 85 5.950 -14.696 -1.624 1.00 0.00 O ATOM 1346 CB TYR A 85 5.297 -11.405 -1.357 1.00 0.00 C ATOM 1347 CG TYR A 85 6.749 -11.024 -1.539 1.00 0.00 C ATOM 1348 CD1 TYR A 85 7.157 -10.270 -2.633 1.00 0.00 C ATOM 1349 CD2 TYR A 85 7.715 -11.431 -0.628 1.00 0.00 C ATOM 1350 CE1 TYR A 85 8.484 -9.931 -2.812 1.00 0.00 C ATOM 1351 CE2 TYR A 85 9.044 -11.095 -0.797 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.424 -10.344 -1.890 1.00 0.00 C ATOM 1353 OH TYR A 85 10.747 -10.009 -2.063 1.00 0.00 O ATOM 0 H TYR A 85 3.053 -11.648 -2.419 1.00 0.00 H new ATOM 0 HA TYR A 85 5.578 -12.675 -3.043 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.666 -10.559 -1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.110 -11.615 -0.304 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.424 -9.944 -3.356 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.422 -12.021 0.228 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.784 -9.346 -3.669 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.782 -11.418 -0.077 1.00 0.00 H new ATOM 0 HH TYR A 85 11.308 -10.603 -1.523 1.00 0.00 H new ATOM 1363 N ARG A 86 4.147 -14.127 -0.408 1.00 0.00 N ATOM 1364 CA ARG A 86 4.221 -15.344 0.400 1.00 0.00 C ATOM 1365 C ARG A 86 4.155 -16.567 -0.504 1.00 0.00 C ATOM 1366 O ARG A 86 4.720 -17.617 -0.196 1.00 0.00 O ATOM 1367 CB ARG A 86 3.098 -15.386 1.438 1.00 0.00 C ATOM 1368 CG ARG A 86 1.712 -15.226 0.844 1.00 0.00 C ATOM 1369 CD ARG A 86 0.632 -15.402 1.898 1.00 0.00 C ATOM 1370 NE ARG A 86 0.299 -14.143 2.557 1.00 0.00 N ATOM 1371 CZ ARG A 86 -0.308 -14.063 3.738 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -0.652 -15.166 4.393 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -0.573 -12.876 4.268 1.00 0.00 N ATOM 0 H ARG A 86 3.381 -13.497 -0.170 1.00 0.00 H new ATOM 0 HA ARG A 86 5.170 -15.345 0.936 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.146 -16.334 1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.263 -14.596 2.171 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.621 -14.239 0.389 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.569 -15.958 0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.263 -15.816 1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.967 -16.123 2.643 1.00 0.00 H new ATOM 0 HE ARG A 86 0.546 -13.274 2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.451 -16.082 3.991 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.117 -15.097 5.298 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.311 -12.025 3.770 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.038 -12.814 5.174 1.00 0.00 H new ATOM 1387 N ASP A 87 3.484 -16.409 -1.641 1.00 0.00 N ATOM 1388 CA ASP A 87 3.374 -17.487 -2.610 1.00 0.00 C ATOM 1389 C ASP A 87 4.748 -17.761 -3.205 1.00 0.00 C ATOM 1390 O ASP A 87 5.131 -18.910 -3.417 1.00 0.00 O ATOM 1391 CB ASP A 87 2.378 -17.119 -3.713 1.00 0.00 C ATOM 1392 CG ASP A 87 1.029 -17.783 -3.518 1.00 0.00 C ATOM 1393 OD1 ASP A 87 0.194 -17.223 -2.777 1.00 0.00 O ATOM 1394 OD2 ASP A 87 0.806 -18.861 -4.108 1.00 0.00 O ATOM 0 H ASP A 87 3.011 -15.547 -1.911 1.00 0.00 H new ATOM 0 HA ASP A 87 3.007 -18.385 -2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.248 -16.037 -3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.787 -17.411 -4.680 1.00 0.00 H new ATOM 1399 N PHE A 88 5.487 -16.684 -3.458 1.00 0.00 N ATOM 1400 CA PHE A 88 6.831 -16.776 -4.016 1.00 0.00 C ATOM 1401 C PHE A 88 7.796 -17.400 -3.007 1.00 0.00 C ATOM 1402 O PHE A 88 8.673 -18.183 -3.373 1.00 0.00 O ATOM 1403 CB PHE A 88 7.322 -15.380 -4.424 1.00 0.00 C ATOM 1404 CG PHE A 88 8.784 -15.317 -4.771 1.00 0.00 C ATOM 1405 CD1 PHE A 88 9.216 -15.580 -6.059 1.00 0.00 C ATOM 1406 CD2 PHE A 88 9.724 -14.993 -3.806 1.00 0.00 C ATOM 1407 CE1 PHE A 88 10.557 -15.523 -6.381 1.00 0.00 C ATOM 1408 CE2 PHE A 88 11.068 -14.934 -4.121 1.00 0.00 C ATOM 1409 CZ PHE A 88 11.485 -15.200 -5.410 1.00 0.00 C ATOM 0 H PHE A 88 5.173 -15.729 -3.283 1.00 0.00 H new ATOM 0 HA PHE A 88 6.798 -17.417 -4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.742 -15.039 -5.282 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.123 -14.685 -3.608 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.495 -15.833 -6.822 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.403 -14.784 -2.796 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.880 -15.731 -7.390 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.791 -14.680 -3.360 1.00 0.00 H new ATOM 0 HZ PHE A 88 12.535 -15.156 -5.659 1.00 0.00 H new ATOM 1419 N LEU A 89 7.628 -17.045 -1.736 1.00 0.00 N ATOM 1420 CA LEU A 89 8.484 -17.565 -0.674 1.00 0.00 C ATOM 1421 C LEU A 89 8.196 -19.043 -0.411 1.00 0.00 C ATOM 1422 O LEU A 89 9.113 -19.863 -0.353 1.00 0.00 O ATOM 1423 CB LEU A 89 8.282 -16.755 0.611 1.00 0.00 C ATOM 1424 CG LEU A 89 9.405 -15.769 0.941 1.00 0.00 C ATOM 1425 CD1 LEU A 89 10.748 -16.481 0.981 1.00 0.00 C ATOM 1426 CD2 LEU A 89 9.431 -14.633 -0.071 1.00 0.00 C ATOM 0 H LEU A 89 6.906 -16.399 -1.416 1.00 0.00 H new ATOM 0 HA LEU A 89 9.521 -17.471 -0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.346 -16.202 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.171 -17.448 1.445 1.00 0.00 H new ATOM 0 HG LEU A 89 9.213 -15.347 1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.534 -15.763 1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.725 -17.258 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.949 -16.933 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.236 -13.941 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.598 -15.038 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.478 -14.104 -0.049 1.00 0.00 H new ATOM 1438 N LYS A 90 6.917 -19.377 -0.261 1.00 0.00 N ATOM 1439 CA LYS A 90 6.505 -20.757 -0.014 1.00 0.00 C ATOM 1440 C LYS A 90 6.721 -21.615 -1.259 1.00 0.00 C ATOM 1441 O LYS A 90 6.918 -22.828 -1.167 1.00 0.00 O ATOM 1442 CB LYS A 90 5.033 -20.807 0.415 1.00 0.00 C ATOM 1443 CG LYS A 90 4.820 -21.412 1.796 1.00 0.00 C ATOM 1444 CD LYS A 90 3.665 -22.402 1.802 1.00 0.00 C ATOM 1445 CE LYS A 90 3.990 -23.645 0.988 1.00 0.00 C ATOM 1446 NZ LYS A 90 2.762 -24.394 0.602 1.00 0.00 N ATOM 0 H LYS A 90 6.146 -18.710 -0.306 1.00 0.00 H new ATOM 0 HA LYS A 90 7.119 -21.158 0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.626 -19.796 0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.470 -21.386 -0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.732 -21.914 2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.622 -20.617 2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.435 -22.688 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.773 -21.924 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.537 -23.358 0.090 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.646 -24.296 1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.027 -25.234 0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.253 -24.691 1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.148 -23.781 0.029 1.00 0.00 H new ATOM 1460 N SER A 91 6.688 -20.972 -2.423 1.00 0.00 N ATOM 1461 CA SER A 91 6.883 -21.666 -3.691 1.00 0.00 C ATOM 1462 C SER A 91 8.334 -22.107 -3.849 1.00 0.00 C ATOM 1463 O SER A 91 8.631 -23.301 -3.879 1.00 0.00 O ATOM 1464 CB SER A 91 6.485 -20.763 -4.861 1.00 0.00 C ATOM 1465 OG SER A 91 5.083 -20.783 -5.069 1.00 0.00 O ATOM 0 H SER A 91 6.528 -19.969 -2.514 1.00 0.00 H new ATOM 0 HA SER A 91 6.247 -22.551 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.812 -19.742 -4.663 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.995 -21.091 -5.767 1.00 0.00 H new ATOM 0 HG SER A 91 4.637 -20.300 -4.342 1.00 0.00 H new