USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 18 SER OG : rot -18:sc= 2.1 USER MOD Set 1.2: B 93 GLN : amide:sc= 1.16 K(o=3.3,f=1.5) USER MOD Set 2.1: B 78 ASN : amide:sc= 1 K(o=3.4,f=-4.9!) USER MOD Set 2.2: B 81 LYS NZ :NH3+ -150:sc= 2.45 (180deg=1.16) USER MOD Set 3.1: B 73 GLN : amide:sc= 2.28 K(o=3.9,f=0.31) USER MOD Set 3.2: B 75 GLN : amide:sc= 1.64 K(o=3.9,f=-2.7) USER MOD Single : A 12 GLN : amide:sc= 0.907 K(o=0.91,f=-0.72) USER MOD Single : A 14 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-5!) USER MOD Single : A 15 THR OG1 : rot 90:sc= 1.23 USER MOD Single : A 19 ASN : amide:sc= 1.16 K(o=1.2,f=-4.2!) USER MOD Single : A 20 THR OG1 : rot -66:sc= 1.22 USER MOD Single : A 23 THR OG1 : rot -96:sc= 1.21 USER MOD Single : B 51 SER OG : rot -86:sc= 1.04 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 SER OG : rot 180:sc= 0.023 USER MOD Single : B 58 GLN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : B 63 THR OG1 : rot 105:sc= 1.23 USER MOD Single : B 65 LYS NZ :NH3+ -113:sc= -0.415 (180deg=-1.33) USER MOD Single : B 66 SER OG : rot -85:sc= 1.16 USER MOD Single : B 68 SER OG : rot 134:sc= 1.1 USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= 1.01 K(o=1,f=-0.14) USER MOD Single : B 72 GLN : amide:sc= 1.06 K(o=1.1,f=-0.019) USER MOD Single : B 74 GLN : amide:sc= 0.879 K(o=0.88,f=-4.5!) USER MOD Single : B 82 SER OG : rot -40:sc= 1.29 USER MOD Single : B 83 ASN : amide:sc= -0.458 K(o=-0.46,f=-5.2!) USER MOD Single : B 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 87 MET CE :methyl -176:sc= -0.515 (180deg=-0.614) USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 95 THR OG1 : rot 75:sc= 0.723 USER MOD Single : B 97 LYS NZ :NH3+ -171:sc= 1.28 (180deg=1.15) USER MOD Single : B 98 TYR OH : rot 106:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 65 N GLU A 6 12.135 -10.123 -3.385 1.00 10.00 N ATOM 66 CA GLU A 6 11.029 -9.188 -3.520 1.00 10.00 C ATOM 67 C GLU A 6 9.900 -9.388 -2.527 1.00 10.00 C ATOM 68 O GLU A 6 9.265 -8.391 -2.224 1.00 10.00 O ATOM 69 CB GLU A 6 10.472 -9.096 -4.955 1.00 10.00 C ATOM 70 CG GLU A 6 9.791 -10.350 -5.511 1.00 10.00 C ATOM 71 CD GLU A 6 10.746 -11.472 -5.946 1.00 10.00 C ATOM 72 OE1 GLU A 6 11.992 -11.293 -5.868 1.00 10.00 O ATOM 73 OE2 GLU A 6 10.222 -12.533 -6.337 1.00 10.00 O ATOM 0 HA GLU A 6 11.491 -8.231 -3.275 1.00 10.00 H new ATOM 0 HB2 GLU A 6 9.755 -8.276 -4.990 1.00 10.00 H new ATOM 0 HB3 GLU A 6 11.292 -8.830 -5.622 1.00 10.00 H new ATOM 0 HG2 GLU A 6 9.114 -10.744 -4.752 1.00 10.00 H new ATOM 0 HG3 GLU A 6 9.179 -10.063 -6.366 1.00 10.00 H new ATOM 80 N ARG A 7 9.672 -10.587 -1.950 1.00 10.00 N ATOM 81 CA ARG A 7 8.624 -10.725 -0.936 1.00 10.00 C ATOM 82 C ARG A 7 8.918 -9.870 0.305 1.00 10.00 C ATOM 83 O ARG A 7 8.002 -9.236 0.819 1.00 10.00 O ATOM 84 CB ARG A 7 8.390 -12.206 -0.575 1.00 10.00 C ATOM 85 CG ARG A 7 7.412 -12.417 0.586 1.00 10.00 C ATOM 86 CD ARG A 7 6.015 -11.798 0.375 1.00 10.00 C ATOM 87 NE ARG A 7 5.310 -11.604 1.644 1.00 10.00 N ATOM 88 CZ ARG A 7 4.843 -12.520 2.473 1.00 10.00 C ATOM 89 NH1 ARG A 7 4.708 -13.777 2.123 1.00 10.00 N ATOM 90 NH2 ARG A 7 4.510 -12.167 3.681 1.00 10.00 N ATOM 0 H ARG A 7 10.184 -11.443 -2.164 1.00 10.00 H new ATOM 0 HA ARG A 7 7.697 -10.345 -1.366 1.00 10.00 H new ATOM 0 HB2 ARG A 7 8.013 -12.728 -1.454 1.00 10.00 H new ATOM 0 HB3 ARG A 7 9.346 -12.662 -0.319 1.00 10.00 H new ATOM 0 HG2 ARG A 7 7.298 -13.488 0.756 1.00 10.00 H new ATOM 0 HG3 ARG A 7 7.848 -11.995 1.491 1.00 10.00 H new ATOM 0 HD2 ARG A 7 6.115 -10.840 -0.136 1.00 10.00 H new ATOM 0 HD3 ARG A 7 5.425 -12.445 -0.274 1.00 10.00 H new ATOM 0 HE ARG A 7 5.160 -10.635 1.924 1.00 10.00 H new ATOM 0 HH11 ARG A 7 4.967 -14.075 1.183 1.00 10.00 H new ATOM 0 HH12 ARG A 7 4.344 -14.456 2.791 1.00 10.00 H new ATOM 0 HH21 ARG A 7 4.611 -11.195 3.975 1.00 10.00 H new ATOM 0 HH22 ARG A 7 4.148 -12.862 4.334 1.00 10.00 H new ATOM 104 N ALA A 8 10.173 -9.810 0.757 1.00 10.00 N ATOM 105 CA ALA A 8 10.539 -8.941 1.870 1.00 10.00 C ATOM 106 C ALA A 8 10.458 -7.456 1.490 1.00 10.00 C ATOM 107 O ALA A 8 9.967 -6.648 2.284 1.00 10.00 O ATOM 108 CB ALA A 8 11.954 -9.302 2.345 1.00 10.00 C ATOM 0 H ALA A 8 10.946 -10.351 0.370 1.00 10.00 H new ATOM 0 HA ALA A 8 9.826 -9.099 2.679 1.00 10.00 H new ATOM 0 HB1 ALA A 8 12.234 -8.656 3.177 1.00 10.00 H new ATOM 0 HB2 ALA A 8 11.974 -10.342 2.670 1.00 10.00 H new ATOM 0 HB3 ALA A 8 12.659 -9.164 1.525 1.00 10.00 H new ATOM 114 N LEU A 9 10.918 -7.099 0.274 1.00 10.00 N ATOM 115 CA LEU A 9 10.860 -5.742 -0.262 1.00 10.00 C ATOM 116 C LEU A 9 9.404 -5.271 -0.398 1.00 10.00 C ATOM 117 O LEU A 9 9.080 -4.158 -0.004 1.00 10.00 O ATOM 118 CB LEU A 9 11.599 -5.634 -1.625 1.00 10.00 C ATOM 119 CG LEU A 9 12.930 -6.404 -1.758 1.00 10.00 C ATOM 120 CD1 LEU A 9 13.459 -6.437 -3.192 1.00 10.00 C ATOM 121 CD2 LEU A 9 13.998 -5.899 -0.789 1.00 10.00 C ATOM 0 H LEU A 9 11.347 -7.765 -0.368 1.00 10.00 H new ATOM 0 HA LEU A 9 11.371 -5.088 0.445 1.00 10.00 H new ATOM 0 HB2 LEU A 9 10.924 -5.985 -2.406 1.00 10.00 H new ATOM 0 HB3 LEU A 9 11.795 -4.580 -1.823 1.00 10.00 H new ATOM 0 HG LEU A 9 12.698 -7.432 -1.481 1.00 10.00 H new ATOM 0 HD11 LEU A 9 14.397 -6.992 -3.221 1.00 10.00 H new ATOM 0 HD12 LEU A 9 12.729 -6.924 -3.838 1.00 10.00 H new ATOM 0 HD13 LEU A 9 13.629 -5.418 -3.540 1.00 10.00 H new ATOM 0 HD21 LEU A 9 14.914 -6.475 -0.924 1.00 10.00 H new ATOM 0 HD22 LEU A 9 14.199 -4.846 -0.986 1.00 10.00 H new ATOM 0 HD23 LEU A 9 13.644 -6.016 0.235 1.00 10.00 H new ATOM 133 N LEU A 10 8.524 -6.138 -0.922 1.00 10.00 N ATOM 134 CA LEU A 10 7.070 -6.010 -1.058 1.00 10.00 C ATOM 135 C LEU A 10 6.426 -5.816 0.305 1.00 10.00 C ATOM 136 O LEU A 10 5.672 -4.866 0.467 1.00 10.00 O ATOM 137 CB LEU A 10 6.583 -7.293 -1.776 1.00 10.00 C ATOM 138 CG LEU A 10 5.069 -7.551 -1.917 1.00 10.00 C ATOM 139 CD1 LEU A 10 4.381 -6.492 -2.771 1.00 10.00 C ATOM 140 CD2 LEU A 10 4.838 -8.903 -2.594 1.00 10.00 C ATOM 0 H LEU A 10 8.846 -7.031 -1.296 1.00 10.00 H new ATOM 0 HA LEU A 10 6.788 -5.134 -1.642 1.00 10.00 H new ATOM 0 HB2 LEU A 10 7.009 -7.289 -2.779 1.00 10.00 H new ATOM 0 HB3 LEU A 10 7.013 -8.146 -1.251 1.00 10.00 H new ATOM 0 HG LEU A 10 4.650 -7.527 -0.911 1.00 10.00 H new ATOM 0 HD11 LEU A 10 3.317 -6.716 -2.841 1.00 10.00 H new ATOM 0 HD12 LEU A 10 4.516 -5.512 -2.314 1.00 10.00 H new ATOM 0 HD13 LEU A 10 4.818 -6.490 -3.770 1.00 10.00 H new ATOM 0 HD21 LEU A 10 3.767 -9.083 -2.692 1.00 10.00 H new ATOM 0 HD22 LEU A 10 5.297 -8.898 -3.582 1.00 10.00 H new ATOM 0 HD23 LEU A 10 5.284 -9.693 -1.990 1.00 10.00 H new ATOM 152 N ASP A 11 6.739 -6.671 1.285 1.00 10.00 N ATOM 153 CA ASP A 11 6.269 -6.522 2.672 1.00 10.00 C ATOM 154 C ASP A 11 6.660 -5.182 3.303 1.00 10.00 C ATOM 155 O ASP A 11 5.776 -4.458 3.789 1.00 10.00 O ATOM 156 CB ASP A 11 6.632 -7.745 3.525 1.00 10.00 C ATOM 157 CG ASP A 11 5.667 -8.931 3.329 1.00 10.00 C ATOM 158 OD1 ASP A 11 4.862 -8.973 2.364 1.00 10.00 O ATOM 159 OD2 ASP A 11 5.694 -9.853 4.171 1.00 10.00 O ATOM 0 H ASP A 11 7.328 -7.491 1.140 1.00 10.00 H new ATOM 0 HA ASP A 11 5.180 -6.491 2.638 1.00 10.00 H new ATOM 0 HB2 ASP A 11 7.644 -8.064 3.278 1.00 10.00 H new ATOM 0 HB3 ASP A 11 6.636 -7.458 4.577 1.00 10.00 H new ATOM 164 N GLN A 12 7.943 -4.806 3.296 1.00 10.00 N ATOM 165 CA GLN A 12 8.325 -3.503 3.849 1.00 10.00 C ATOM 166 C GLN A 12 7.762 -2.326 3.044 1.00 10.00 C ATOM 167 O GLN A 12 7.479 -1.285 3.647 1.00 10.00 O ATOM 168 CB GLN A 12 9.835 -3.435 4.146 1.00 10.00 C ATOM 169 CG GLN A 12 10.787 -3.480 2.940 1.00 10.00 C ATOM 170 CD GLN A 12 10.972 -2.148 2.234 1.00 10.00 C ATOM 171 OE1 GLN A 12 11.490 -1.178 2.778 1.00 10.00 O ATOM 172 NE2 GLN A 12 10.576 -2.055 0.982 1.00 10.00 N ATOM 0 H GLN A 12 8.712 -5.364 2.926 1.00 10.00 H new ATOM 0 HA GLN A 12 7.842 -3.398 4.821 1.00 10.00 H new ATOM 0 HB2 GLN A 12 10.030 -2.515 4.698 1.00 10.00 H new ATOM 0 HB3 GLN A 12 10.088 -4.263 4.808 1.00 10.00 H new ATOM 0 HG2 GLN A 12 11.761 -3.838 3.275 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.410 -4.208 2.222 1.00 10.00 H new ATOM 0 HE21 GLN A 12 10.144 -2.857 0.523 1.00 10.00 H new ATOM 0 HE22 GLN A 12 10.701 -1.181 0.471 1.00 10.00 H new ATOM 181 N LEU A 13 7.509 -2.487 1.737 1.00 10.00 N ATOM 182 CA LEU A 13 6.937 -1.434 0.893 1.00 10.00 C ATOM 183 C LEU A 13 5.414 -1.321 1.079 1.00 10.00 C ATOM 184 O LEU A 13 4.918 -0.201 1.218 1.00 10.00 O ATOM 185 CB LEU A 13 7.381 -1.655 -0.570 1.00 10.00 C ATOM 186 CG LEU A 13 7.148 -0.498 -1.552 1.00 10.00 C ATOM 187 CD1 LEU A 13 7.657 0.832 -1.000 1.00 10.00 C ATOM 188 CD2 LEU A 13 7.891 -0.802 -2.855 1.00 10.00 C ATOM 0 H LEU A 13 7.697 -3.355 1.236 1.00 10.00 H new ATOM 0 HA LEU A 13 7.322 -0.462 1.202 1.00 10.00 H new ATOM 0 HB2 LEU A 13 8.446 -1.889 -0.569 1.00 10.00 H new ATOM 0 HB3 LEU A 13 6.862 -2.534 -0.952 1.00 10.00 H new ATOM 0 HG LEU A 13 6.074 -0.408 -1.718 1.00 10.00 H new ATOM 0 HD11 LEU A 13 7.472 1.623 -1.727 1.00 10.00 H new ATOM 0 HD12 LEU A 13 7.136 1.064 -0.071 1.00 10.00 H new ATOM 0 HD13 LEU A 13 8.727 0.760 -0.807 1.00 10.00 H new ATOM 0 HD21 LEU A 13 7.734 0.013 -3.562 1.00 10.00 H new ATOM 0 HD22 LEU A 13 8.957 -0.905 -2.651 1.00 10.00 H new ATOM 0 HD23 LEU A 13 7.512 -1.731 -3.282 1.00 10.00 H new ATOM 200 N HIS A 14 4.652 -2.422 1.159 1.00 10.00 N ATOM 201 CA HIS A 14 3.210 -2.321 1.453 1.00 10.00 C ATOM 202 C HIS A 14 2.955 -1.883 2.892 1.00 10.00 C ATOM 203 O HIS A 14 2.002 -1.137 3.126 1.00 10.00 O ATOM 204 CB HIS A 14 2.392 -3.556 1.020 1.00 10.00 C ATOM 205 CG HIS A 14 2.589 -4.843 1.791 1.00 10.00 C ATOM 206 ND1 HIS A 14 2.312 -5.034 3.138 1.00 10.00 N ATOM 207 CD2 HIS A 14 2.958 -6.036 1.237 1.00 10.00 C ATOM 208 CE1 HIS A 14 2.545 -6.330 3.383 1.00 10.00 C ATOM 209 NE2 HIS A 14 2.933 -6.967 2.258 1.00 10.00 N ATOM 0 H HIS A 14 4.997 -3.373 1.028 1.00 10.00 H new ATOM 0 HA HIS A 14 2.825 -1.523 0.817 1.00 10.00 H new ATOM 0 HB2 HIS A 14 1.336 -3.293 1.074 1.00 10.00 H new ATOM 0 HB3 HIS A 14 2.618 -3.756 -0.027 1.00 10.00 H new ATOM 0 HD2 HIS A 14 3.218 -6.216 0.204 1.00 10.00 H new ATOM 0 HE1 HIS A 14 2.437 -6.801 4.349 1.00 10.00 H new ATOM 0 HE2 HIS A 14 3.166 -7.957 2.176 1.00 10.00 H new ATOM 217 N THR A 15 3.850 -2.216 3.832 1.00 10.00 N ATOM 218 CA THR A 15 3.798 -1.652 5.195 1.00 10.00 C ATOM 219 C THR A 15 4.148 -0.167 5.190 1.00 10.00 C ATOM 220 O THR A 15 3.438 0.594 5.844 1.00 10.00 O ATOM 221 CB THR A 15 4.700 -2.383 6.203 1.00 10.00 C ATOM 222 OG1 THR A 15 4.688 -3.785 6.031 1.00 10.00 O ATOM 223 CG2 THR A 15 4.189 -2.134 7.633 1.00 10.00 C ATOM 0 H THR A 15 4.617 -2.870 3.678 1.00 10.00 H new ATOM 0 HA THR A 15 2.768 -1.792 5.523 1.00 10.00 H new ATOM 0 HB THR A 15 5.706 -1.997 6.038 1.00 10.00 H new ATOM 0 HG1 THR A 15 5.393 -4.043 5.401 1.00 10.00 H new ATOM 0 HG21 THR A 15 4.831 -2.654 8.344 1.00 10.00 H new ATOM 0 HG22 THR A 15 4.205 -1.065 7.844 1.00 10.00 H new ATOM 0 HG23 THR A 15 3.169 -2.507 7.725 1.00 10.00 H new ATOM 231 N LEU A 16 5.162 0.284 4.433 1.00 10.00 N ATOM 232 CA LEU A 16 5.415 1.723 4.241 1.00 10.00 C ATOM 233 C LEU A 16 4.141 2.433 3.789 1.00 10.00 C ATOM 234 O LEU A 16 3.730 3.377 4.446 1.00 10.00 O ATOM 235 CB LEU A 16 6.564 1.963 3.240 1.00 10.00 C ATOM 236 CG LEU A 16 6.768 3.468 2.900 1.00 10.00 C ATOM 237 CD1 LEU A 16 8.000 4.048 3.611 1.00 10.00 C ATOM 238 CD2 LEU A 16 6.848 3.693 1.385 1.00 10.00 C ATOM 0 H LEU A 16 5.819 -0.325 3.945 1.00 10.00 H new ATOM 0 HA LEU A 16 5.722 2.142 5.199 1.00 10.00 H new ATOM 0 HB2 LEU A 16 7.489 1.561 3.653 1.00 10.00 H new ATOM 0 HB3 LEU A 16 6.360 1.413 2.321 1.00 10.00 H new ATOM 0 HG LEU A 16 5.894 4.003 3.271 1.00 10.00 H new ATOM 0 HD11 LEU A 16 8.109 5.100 3.349 1.00 10.00 H new ATOM 0 HD12 LEU A 16 7.876 3.954 4.690 1.00 10.00 H new ATOM 0 HD13 LEU A 16 8.890 3.502 3.299 1.00 10.00 H new ATOM 0 HD21 LEU A 16 6.991 4.754 1.182 1.00 10.00 H new ATOM 0 HD22 LEU A 16 7.687 3.130 0.977 1.00 10.00 H new ATOM 0 HD23 LEU A 16 5.923 3.355 0.918 1.00 10.00 H new ATOM 250 N LEU A 17 3.496 1.999 2.706 1.00 10.00 N ATOM 251 CA LEU A 17 2.241 2.631 2.282 1.00 10.00 C ATOM 252 C LEU A 17 1.077 2.494 3.299 1.00 10.00 C ATOM 253 O LEU A 17 0.113 3.260 3.246 1.00 10.00 O ATOM 254 CB LEU A 17 1.787 2.140 0.912 1.00 10.00 C ATOM 255 CG LEU A 17 2.489 2.581 -0.388 1.00 10.00 C ATOM 256 CD1 LEU A 17 2.857 4.059 -0.422 1.00 10.00 C ATOM 257 CD2 LEU A 17 3.721 1.784 -0.764 1.00 10.00 C ATOM 0 H LEU A 17 3.811 1.229 2.115 1.00 10.00 H new ATOM 0 HA LEU A 17 2.484 3.692 2.224 1.00 10.00 H new ATOM 0 HB2 LEU A 17 1.830 1.051 0.938 1.00 10.00 H new ATOM 0 HB3 LEU A 17 0.737 2.416 0.811 1.00 10.00 H new ATOM 0 HG LEU A 17 1.715 2.377 -1.127 1.00 10.00 H new ATOM 0 HD11 LEU A 17 3.347 4.290 -1.368 1.00 10.00 H new ATOM 0 HD12 LEU A 17 1.954 4.661 -0.324 1.00 10.00 H new ATOM 0 HD13 LEU A 17 3.534 4.284 0.402 1.00 10.00 H new ATOM 0 HD21 LEU A 17 4.138 2.175 -1.692 1.00 10.00 H new ATOM 0 HD22 LEU A 17 4.463 1.866 0.030 1.00 10.00 H new ATOM 0 HD23 LEU A 17 3.449 0.737 -0.901 1.00 10.00 H new ATOM 269 N SER A 18 1.140 1.538 4.236 1.00 10.00 N ATOM 270 CA SER A 18 0.082 1.198 5.198 1.00 10.00 C ATOM 271 C SER A 18 0.351 1.604 6.650 1.00 10.00 C ATOM 272 O SER A 18 -0.440 1.281 7.538 1.00 10.00 O ATOM 273 CB SER A 18 -0.187 -0.298 5.109 1.00 10.00 C ATOM 274 OG SER A 18 -1.233 -0.634 5.985 1.00 10.00 O ATOM 0 H SER A 18 1.968 0.953 4.349 1.00 10.00 H new ATOM 0 HA SER A 18 -0.789 1.787 4.913 1.00 10.00 H new ATOM 0 HB2 SER A 18 -0.451 -0.572 4.087 1.00 10.00 H new ATOM 0 HB3 SER A 18 0.713 -0.857 5.367 1.00 10.00 H new ATOM 0 HG SER A 18 -1.346 0.079 6.648 1.00 10.00 H new ATOM 280 N ASN A 19 1.450 2.313 6.890 1.00 10.00 N ATOM 281 CA ASN A 19 2.106 2.679 8.156 1.00 10.00 C ATOM 282 C ASN A 19 1.248 3.279 9.296 1.00 10.00 C ATOM 283 O ASN A 19 1.761 3.503 10.392 1.00 10.00 O ATOM 284 CB ASN A 19 3.235 3.649 7.747 1.00 10.00 C ATOM 285 CG ASN A 19 2.662 4.998 7.302 1.00 10.00 C ATOM 286 OD1 ASN A 19 2.075 5.746 8.064 1.00 10.00 O ATOM 287 ND2 ASN A 19 2.750 5.302 6.030 1.00 10.00 N ATOM 0 H ASN A 19 1.974 2.697 6.104 1.00 10.00 H new ATOM 0 HA ASN A 19 2.431 1.751 8.626 1.00 10.00 H new ATOM 0 HB2 ASN A 19 3.915 3.797 8.586 1.00 10.00 H new ATOM 0 HB3 ASN A 19 3.819 3.212 6.937 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.328 6.162 5.681 1.00 10.00 H new ATOM 0 HD22 ASN A 19 3.241 4.678 5.389 1.00 10.00 H new ATOM 294 N THR A 20 -0.030 3.540 9.014 1.00 10.00 N ATOM 295 CA THR A 20 -1.182 4.087 9.766 1.00 10.00 C ATOM 296 C THR A 20 -1.691 5.410 9.187 1.00 10.00 C ATOM 297 O THR A 20 -2.858 5.721 9.408 1.00 10.00 O ATOM 298 CB THR A 20 -1.036 4.211 11.295 1.00 10.00 C ATOM 299 OG1 THR A 20 0.090 4.959 11.665 1.00 10.00 O ATOM 300 CG2 THR A 20 -0.988 2.846 11.989 1.00 10.00 C ATOM 0 H THR A 20 -0.345 3.332 8.066 1.00 10.00 H new ATOM 0 HA THR A 20 -1.922 3.300 9.621 1.00 10.00 H new ATOM 0 HB THR A 20 -1.929 4.740 11.627 1.00 10.00 H new ATOM 0 HG1 THR A 20 0.903 4.477 11.406 1.00 10.00 H new ATOM 0 HG21 THR A 20 -0.885 2.988 13.065 1.00 10.00 H new ATOM 0 HG22 THR A 20 -1.908 2.300 11.782 1.00 10.00 H new ATOM 0 HG23 THR A 20 -0.137 2.277 11.615 1.00 10.00 H new ATOM 308 N ASP A 21 -0.916 6.144 8.377 1.00 10.00 N ATOM 309 CA ASP A 21 -1.385 7.380 7.742 1.00 10.00 C ATOM 310 C ASP A 21 -2.555 7.152 6.751 1.00 10.00 C ATOM 311 O ASP A 21 -2.752 6.083 6.162 1.00 10.00 O ATOM 312 CB ASP A 21 -0.205 8.119 7.085 1.00 10.00 C ATOM 313 CG ASP A 21 -0.607 9.450 6.425 1.00 10.00 C ATOM 314 OD1 ASP A 21 -1.405 10.209 7.030 1.00 10.00 O ATOM 315 OD2 ASP A 21 -0.185 9.697 5.284 1.00 10.00 O ATOM 0 H ASP A 21 0.047 5.899 8.146 1.00 10.00 H new ATOM 0 HA ASP A 21 -1.797 8.013 8.528 1.00 10.00 H new ATOM 0 HB2 ASP A 21 0.558 8.312 7.839 1.00 10.00 H new ATOM 0 HB3 ASP A 21 0.246 7.471 6.333 1.00 10.00 H new ATOM 320 N ALA A 22 -3.314 8.233 6.553 1.00 10.00 N ATOM 321 CA ALA A 22 -4.352 8.432 5.553 1.00 10.00 C ATOM 322 C ALA A 22 -4.398 9.886 5.016 1.00 10.00 C ATOM 323 O ALA A 22 -5.078 10.118 4.028 1.00 10.00 O ATOM 324 CB ALA A 22 -5.711 8.025 6.135 1.00 10.00 C ATOM 0 H ALA A 22 -3.204 9.059 7.142 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.112 7.798 4.700 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -6.488 8.175 5.385 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -5.683 6.974 6.424 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -5.930 8.636 7.011 1.00 10.00 H new ATOM 330 N THR A 23 -3.670 10.846 5.601 1.00 10.00 N ATOM 331 CA THR A 23 -3.749 12.300 5.358 1.00 10.00 C ATOM 332 C THR A 23 -3.725 12.681 3.880 1.00 10.00 C ATOM 333 O THR A 23 -4.680 13.288 3.400 1.00 10.00 O ATOM 334 CB THR A 23 -2.661 13.019 6.185 1.00 10.00 C ATOM 335 OG1 THR A 23 -1.378 12.500 5.916 1.00 10.00 O ATOM 336 CG2 THR A 23 -2.633 14.527 5.942 1.00 10.00 C ATOM 0 H THR A 23 -2.964 10.618 6.301 1.00 10.00 H new ATOM 0 HA THR A 23 -4.727 12.641 5.697 1.00 10.00 H new ATOM 0 HB THR A 23 -2.924 12.838 7.227 1.00 10.00 H new ATOM 0 HG1 THR A 23 -1.149 11.828 6.592 1.00 10.00 H new ATOM 0 HG21 THR A 23 -1.849 14.979 6.550 1.00 10.00 H new ATOM 0 HG22 THR A 23 -2.433 14.722 4.888 1.00 10.00 H new ATOM 0 HG23 THR A 23 -3.597 14.957 6.214 1.00 10.00 H new ATOM 344 N GLY A 24 -2.663 12.329 3.163 1.00 10.00 N ATOM 345 CA GLY A 24 -2.570 12.462 1.698 1.00 10.00 C ATOM 346 C GLY A 24 -2.684 11.139 0.936 1.00 10.00 C ATOM 347 O GLY A 24 -2.843 11.135 -0.280 1.00 10.00 O ATOM 0 H GLY A 24 -1.822 11.935 3.584 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -3.357 13.134 1.355 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -1.619 12.931 1.447 1.00 10.00 H new ATOM 351 N LEU A 25 -2.624 10.015 1.656 1.00 10.00 N ATOM 352 CA LEU A 25 -2.946 8.700 1.117 1.00 10.00 C ATOM 353 C LEU A 25 -4.431 8.584 0.738 1.00 10.00 C ATOM 354 O LEU A 25 -4.729 7.825 -0.177 1.00 10.00 O ATOM 355 CB LEU A 25 -2.516 7.609 2.106 1.00 10.00 C ATOM 356 CG LEU A 25 -1.009 7.288 2.025 1.00 10.00 C ATOM 357 CD1 LEU A 25 -0.492 6.812 3.385 1.00 10.00 C ATOM 358 CD2 LEU A 25 -0.780 6.192 0.981 1.00 10.00 C ATOM 0 H LEU A 25 -2.348 9.997 2.638 1.00 10.00 H new ATOM 0 HA LEU A 25 -2.386 8.561 0.192 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.761 7.927 3.119 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.087 6.702 1.910 1.00 10.00 H new ATOM 0 HG LEU A 25 -0.469 8.191 1.739 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.573 6.589 3.312 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -0.649 7.594 4.128 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.031 5.913 3.685 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.284 5.963 0.921 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.329 5.295 1.269 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.132 6.536 0.009 1.00 10.00 H new ATOM 370 N GLU A 26 -5.344 9.354 1.351 1.00 10.00 N ATOM 371 CA GLU A 26 -6.774 9.365 1.003 1.00 10.00 C ATOM 372 C GLU A 26 -7.008 9.535 -0.497 1.00 10.00 C ATOM 373 O GLU A 26 -7.823 8.799 -1.045 1.00 10.00 O ATOM 374 CB GLU A 26 -7.579 10.380 1.844 1.00 10.00 C ATOM 375 CG GLU A 26 -7.369 11.874 1.541 1.00 10.00 C ATOM 376 CD GLU A 26 -8.144 12.390 0.311 1.00 10.00 C ATOM 377 OE1 GLU A 26 -9.287 11.943 0.062 1.00 10.00 O ATOM 378 OE2 GLU A 26 -7.579 13.209 -0.448 1.00 10.00 O ATOM 0 H GLU A 26 -5.108 9.993 2.110 1.00 10.00 H new ATOM 0 HA GLU A 26 -7.159 8.379 1.263 1.00 10.00 H new ATOM 0 HB2 GLU A 26 -8.638 10.156 1.719 1.00 10.00 H new ATOM 0 HB3 GLU A 26 -7.340 10.212 2.894 1.00 10.00 H new ATOM 0 HG2 GLU A 26 -7.668 12.455 2.414 1.00 10.00 H new ATOM 0 HG3 GLU A 26 -6.305 12.055 1.387 1.00 10.00 H new ATOM 385 N GLU A 27 -6.255 10.414 -1.179 1.00 10.00 N ATOM 386 CA GLU A 27 -6.317 10.610 -2.638 1.00 10.00 C ATOM 387 C GLU A 27 -5.990 9.324 -3.381 1.00 10.00 C ATOM 388 O GLU A 27 -6.754 8.913 -4.250 1.00 10.00 O ATOM 389 CB GLU A 27 -5.320 11.738 -3.011 1.00 10.00 C ATOM 390 CG GLU A 27 -4.840 11.857 -4.478 1.00 10.00 C ATOM 391 CD GLU A 27 -5.859 12.326 -5.516 1.00 10.00 C ATOM 392 OE1 GLU A 27 -6.740 13.144 -5.158 1.00 10.00 O ATOM 393 OE2 GLU A 27 -5.738 11.879 -6.680 1.00 10.00 O ATOM 0 H GLU A 27 -5.573 11.020 -0.723 1.00 10.00 H new ATOM 0 HA GLU A 27 -7.328 10.892 -2.931 1.00 10.00 H new ATOM 0 HB2 GLU A 27 -5.779 12.688 -2.736 1.00 10.00 H new ATOM 0 HB3 GLU A 27 -4.437 11.618 -2.384 1.00 10.00 H new ATOM 0 HG2 GLU A 27 -3.995 12.545 -4.501 1.00 10.00 H new ATOM 0 HG3 GLU A 27 -4.466 10.882 -4.790 1.00 10.00 H new ATOM 400 N ILE A 28 -4.876 8.684 -3.027 1.00 10.00 N ATOM 401 CA ILE A 28 -4.393 7.459 -3.655 1.00 10.00 C ATOM 402 C ILE A 28 -5.351 6.305 -3.359 1.00 10.00 C ATOM 403 O ILE A 28 -5.581 5.451 -4.210 1.00 10.00 O ATOM 404 CB ILE A 28 -2.967 7.119 -3.151 1.00 10.00 C ATOM 405 CG1 ILE A 28 -2.025 8.333 -2.985 1.00 10.00 C ATOM 406 CG2 ILE A 28 -2.307 6.103 -4.101 1.00 10.00 C ATOM 407 CD1 ILE A 28 -1.767 9.139 -4.258 1.00 10.00 C ATOM 0 H ILE A 28 -4.270 9.014 -2.276 1.00 10.00 H new ATOM 0 HA ILE A 28 -4.350 7.612 -4.733 1.00 10.00 H new ATOM 0 HB ILE A 28 -3.109 6.706 -2.152 1.00 10.00 H new ATOM 0 HG12 ILE A 28 -2.447 8.999 -2.232 1.00 10.00 H new ATOM 0 HG13 ILE A 28 -1.069 7.980 -2.598 1.00 10.00 H new ATOM 0 HG21 ILE A 28 -1.305 5.867 -3.742 1.00 10.00 H new ATOM 0 HG22 ILE A 28 -2.905 5.192 -4.132 1.00 10.00 H new ATOM 0 HG23 ILE A 28 -2.243 6.529 -5.102 1.00 10.00 H new ATOM 0 HD11 ILE A 28 -1.095 9.967 -4.034 1.00 10.00 H new ATOM 0 HD12 ILE A 28 -1.311 8.495 -5.010 1.00 10.00 H new ATOM 0 HD13 ILE A 28 -2.711 9.530 -4.639 1.00 10.00 H new ATOM 419 N ASP A 29 -5.935 6.306 -2.160 1.00 10.00 N ATOM 420 CA ASP A 29 -6.898 5.326 -1.695 1.00 10.00 C ATOM 421 C ASP A 29 -8.215 5.474 -2.471 1.00 10.00 C ATOM 422 O ASP A 29 -8.730 4.488 -2.997 1.00 10.00 O ATOM 423 CB ASP A 29 -7.124 5.471 -0.171 1.00 10.00 C ATOM 424 CG ASP A 29 -5.952 5.072 0.728 1.00 10.00 C ATOM 425 OD1 ASP A 29 -5.241 4.092 0.433 1.00 10.00 O ATOM 426 OD2 ASP A 29 -5.851 5.646 1.843 1.00 10.00 O ATOM 0 H ASP A 29 -5.737 7.023 -1.462 1.00 10.00 H new ATOM 0 HA ASP A 29 -6.506 4.326 -1.879 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -7.379 6.510 0.040 1.00 10.00 H new ATOM 0 HB3 ASP A 29 -7.989 4.868 0.106 1.00 10.00 H new ATOM 431 N ARG A 30 -8.764 6.695 -2.582 1.00 10.00 N ATOM 432 CA ARG A 30 -10.008 6.932 -3.323 1.00 10.00 C ATOM 433 C ARG A 30 -9.816 6.777 -4.832 1.00 10.00 C ATOM 434 O ARG A 30 -10.689 6.196 -5.466 1.00 10.00 O ATOM 435 CB ARG A 30 -10.675 8.253 -2.902 1.00 10.00 C ATOM 436 CG ARG A 30 -9.998 9.540 -3.355 1.00 10.00 C ATOM 437 CD ARG A 30 -10.807 10.760 -2.872 1.00 10.00 C ATOM 438 NE ARG A 30 -9.944 11.911 -2.562 1.00 10.00 N ATOM 439 CZ ARG A 30 -9.187 12.598 -3.406 1.00 10.00 C ATOM 440 NH1 ARG A 30 -9.230 12.423 -4.705 1.00 10.00 N ATOM 441 NH2 ARG A 30 -8.265 13.414 -2.986 1.00 10.00 N ATOM 0 H ARG A 30 -8.362 7.534 -2.165 1.00 10.00 H new ATOM 0 HA ARG A 30 -10.717 6.150 -3.050 1.00 10.00 H new ATOM 0 HB2 ARG A 30 -11.696 8.254 -3.283 1.00 10.00 H new ATOM 0 HB3 ARG A 30 -10.741 8.269 -1.814 1.00 10.00 H new ATOM 0 HG2 ARG A 30 -8.984 9.586 -2.959 1.00 10.00 H new ATOM 0 HG3 ARG A 30 -9.916 9.555 -4.442 1.00 10.00 H new ATOM 0 HD2 ARG A 30 -11.527 11.044 -3.640 1.00 10.00 H new ATOM 0 HD3 ARG A 30 -11.378 10.487 -1.985 1.00 10.00 H new ATOM 0 HE ARG A 30 -9.926 12.214 -1.588 1.00 10.00 H new ATOM 0 HH11 ARG A 30 -9.866 11.734 -5.106 1.00 10.00 H new ATOM 0 HH12 ARG A 30 -8.627 12.976 -5.314 1.00 10.00 H new ATOM 0 HH21 ARG A 30 -8.110 13.537 -1.985 1.00 10.00 H new ATOM 0 HH22 ARG A 30 -7.697 13.930 -3.657 1.00 10.00 H new ATOM 455 N ALA A 31 -8.661 7.173 -5.388 1.00 10.00 N ATOM 456 CA ALA A 31 -8.301 6.925 -6.780 1.00 10.00 C ATOM 457 C ALA A 31 -8.229 5.423 -7.146 1.00 10.00 C ATOM 458 O ALA A 31 -8.359 5.076 -8.317 1.00 10.00 O ATOM 459 CB ALA A 31 -6.969 7.629 -7.077 1.00 10.00 C ATOM 0 H ALA A 31 -7.945 7.682 -4.870 1.00 10.00 H new ATOM 0 HA ALA A 31 -9.096 7.333 -7.405 1.00 10.00 H new ATOM 0 HB1 ALA A 31 -6.687 7.452 -8.115 1.00 10.00 H new ATOM 0 HB2 ALA A 31 -7.078 8.700 -6.908 1.00 10.00 H new ATOM 0 HB3 ALA A 31 -6.195 7.235 -6.419 1.00 10.00 H new ATOM 465 N LEU A 32 -8.075 4.542 -6.148 1.00 10.00 N ATOM 466 CA LEU A 32 -8.078 3.083 -6.292 1.00 10.00 C ATOM 467 C LEU A 32 -9.261 2.401 -5.579 1.00 10.00 C ATOM 468 O LEU A 32 -9.249 1.188 -5.385 1.00 10.00 O ATOM 469 CB LEU A 32 -6.687 2.530 -5.928 1.00 10.00 C ATOM 470 CG LEU A 32 -5.604 2.971 -6.930 1.00 10.00 C ATOM 471 CD1 LEU A 32 -4.206 2.834 -6.329 1.00 10.00 C ATOM 472 CD2 LEU A 32 -5.677 2.140 -8.209 1.00 10.00 C ATOM 0 H LEU A 32 -7.940 4.839 -5.182 1.00 10.00 H new ATOM 0 HA LEU A 32 -8.258 2.830 -7.337 1.00 10.00 H new ATOM 0 HB2 LEU A 32 -6.414 2.868 -4.928 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -6.728 1.441 -5.896 1.00 10.00 H new ATOM 0 HG LEU A 32 -5.791 4.019 -7.165 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -3.463 3.153 -7.060 1.00 10.00 H new ATOM 0 HD12 LEU A 32 -4.130 3.458 -5.439 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -4.026 1.793 -6.059 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -4.903 2.470 -8.902 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -5.525 1.088 -7.968 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -6.656 2.269 -8.671 1.00 10.00 H new ATOM 484 N GLY A 33 -10.313 3.160 -5.224 1.00 10.00 N ATOM 485 CA GLY A 33 -11.572 2.621 -4.697 1.00 10.00 C ATOM 486 C GLY A 33 -11.454 1.947 -3.328 1.00 10.00 C ATOM 487 O GLY A 33 -12.351 1.220 -2.917 1.00 10.00 O ATOM 0 H GLY A 33 -10.309 4.177 -5.297 1.00 10.00 H new ATOM 0 HA2 GLY A 33 -12.298 3.431 -4.627 1.00 10.00 H new ATOM 0 HA3 GLY A 33 -11.969 1.898 -5.410 1.00 10.00 H new ATOM 491 N ILE A 34 -10.358 2.174 -2.604 1.00 10.00 N ATOM 492 CA ILE A 34 -10.032 1.453 -1.361 1.00 10.00 C ATOM 493 C ILE A 34 -11.120 1.616 -0.264 1.00 10.00 C ATOM 494 O ILE A 34 -11.516 0.603 0.317 1.00 10.00 O ATOM 495 CB ILE A 34 -8.575 1.768 -0.938 1.00 10.00 C ATOM 496 CG1 ILE A 34 -7.626 1.425 -2.121 1.00 10.00 C ATOM 497 CG2 ILE A 34 -8.154 0.997 0.315 1.00 10.00 C ATOM 498 CD1 ILE A 34 -6.130 1.515 -1.853 1.00 10.00 C ATOM 0 H ILE A 34 -9.659 2.871 -2.862 1.00 10.00 H new ATOM 0 HA ILE A 34 -10.057 0.379 -1.544 1.00 10.00 H new ATOM 0 HB ILE A 34 -8.512 2.828 -0.692 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -7.851 0.411 -2.453 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -7.863 2.092 -2.950 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -7.126 1.252 0.571 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -8.811 1.263 1.144 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -8.226 -0.074 0.125 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -5.582 1.251 -2.758 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -5.874 2.532 -1.557 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -5.862 0.826 -1.052 1.00 10.00 H new ATOM 510 N PRO A 35 -11.712 2.808 -0.032 1.00 10.00 N ATOM 511 CA PRO A 35 -12.883 2.950 0.835 1.00 10.00 C ATOM 512 C PRO A 35 -14.144 2.202 0.347 1.00 10.00 C ATOM 513 O PRO A 35 -14.968 1.788 1.160 1.00 10.00 O ATOM 514 CB PRO A 35 -13.148 4.462 0.942 1.00 10.00 C ATOM 515 CG PRO A 35 -11.762 5.063 0.673 1.00 10.00 C ATOM 516 CD PRO A 35 -11.224 4.128 -0.413 1.00 10.00 C ATOM 0 HA PRO A 35 -12.667 2.489 1.799 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -13.884 4.797 0.212 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -13.526 4.739 1.926 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -11.823 6.096 0.330 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -11.134 5.059 1.564 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -11.587 4.416 -1.400 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -10.135 4.152 -0.454 1.00 10.00 H new ATOM 524 N GLU A 36 -14.311 1.982 -0.960 1.00 10.00 N ATOM 525 CA GLU A 36 -15.370 1.126 -1.515 1.00 10.00 C ATOM 526 C GLU A 36 -15.043 -0.358 -1.290 1.00 10.00 C ATOM 527 O GLU A 36 -15.942 -1.144 -0.975 1.00 10.00 O ATOM 528 CB GLU A 36 -15.645 1.499 -2.985 1.00 10.00 C ATOM 529 CG GLU A 36 -16.485 0.499 -3.798 1.00 10.00 C ATOM 530 CD GLU A 36 -17.866 0.143 -3.231 1.00 10.00 C ATOM 531 OE1 GLU A 36 -18.353 0.840 -2.306 1.00 10.00 O ATOM 532 OE2 GLU A 36 -18.427 -0.858 -3.741 1.00 10.00 O ATOM 0 H GLU A 36 -13.710 2.396 -1.672 1.00 10.00 H new ATOM 0 HA GLU A 36 -16.305 1.302 -0.983 1.00 10.00 H new ATOM 0 HB2 GLU A 36 -16.150 2.465 -3.004 1.00 10.00 H new ATOM 0 HB3 GLU A 36 -14.688 1.630 -3.489 1.00 10.00 H new ATOM 0 HG2 GLU A 36 -16.622 0.905 -4.800 1.00 10.00 H new ATOM 0 HG3 GLU A 36 -15.912 -0.422 -3.903 1.00 10.00 H new ATOM 539 N LEU A 37 -13.767 -0.760 -1.356 1.00 10.00 N ATOM 540 CA LEU A 37 -13.355 -2.101 -0.935 1.00 10.00 C ATOM 541 C LEU A 37 -13.602 -2.325 0.570 1.00 10.00 C ATOM 542 O LEU A 37 -13.966 -3.440 0.955 1.00 10.00 O ATOM 543 CB LEU A 37 -11.895 -2.364 -1.348 1.00 10.00 C ATOM 544 CG LEU A 37 -11.718 -2.511 -2.871 1.00 10.00 C ATOM 545 CD1 LEU A 37 -10.233 -2.448 -3.226 1.00 10.00 C ATOM 546 CD2 LEU A 37 -12.271 -3.847 -3.382 1.00 10.00 C ATOM 0 H LEU A 37 -13.004 -0.175 -1.697 1.00 10.00 H new ATOM 0 HA LEU A 37 -13.975 -2.835 -1.450 1.00 10.00 H new ATOM 0 HB2 LEU A 37 -11.269 -1.545 -0.992 1.00 10.00 H new ATOM 0 HB3 LEU A 37 -11.542 -3.271 -0.857 1.00 10.00 H new ATOM 0 HG LEU A 37 -12.269 -1.696 -3.341 1.00 10.00 H new ATOM 0 HD11 LEU A 37 -10.112 -2.552 -4.304 1.00 10.00 H new ATOM 0 HD12 LEU A 37 -9.823 -1.490 -2.906 1.00 10.00 H new ATOM 0 HD13 LEU A 37 -9.704 -3.256 -2.722 1.00 10.00 H new ATOM 0 HD21 LEU A 37 -12.127 -3.912 -4.460 1.00 10.00 H new ATOM 0 HD22 LEU A 37 -11.745 -4.668 -2.896 1.00 10.00 H new ATOM 0 HD23 LEU A 37 -13.335 -3.912 -3.154 1.00 10.00 H new ATOM 558 N VAL A 38 -13.474 -1.275 1.409 1.00 10.00 N ATOM 559 CA VAL A 38 -13.900 -1.310 2.818 1.00 10.00 C ATOM 560 C VAL A 38 -15.424 -1.493 2.872 1.00 10.00 C ATOM 561 O VAL A 38 -15.887 -2.426 3.517 1.00 10.00 O ATOM 562 CB VAL A 38 -13.469 -0.051 3.607 1.00 10.00 C ATOM 563 CG1 VAL A 38 -14.100 0.014 5.004 1.00 10.00 C ATOM 564 CG2 VAL A 38 -11.956 0.058 3.758 1.00 10.00 C ATOM 0 H VAL A 38 -13.072 -0.381 1.126 1.00 10.00 H new ATOM 0 HA VAL A 38 -13.403 -2.152 3.300 1.00 10.00 H new ATOM 0 HB VAL A 38 -13.831 0.786 3.010 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -13.764 0.917 5.513 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -15.186 0.032 4.912 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -13.799 -0.861 5.580 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -11.710 0.959 4.319 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -11.580 -0.815 4.291 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -11.495 0.108 2.772 1.00 10.00 H new ATOM 765 N SER B 51 12.098 -9.746 -9.666 1.00 10.00 N ATOM 766 CA SER B 51 11.841 -8.920 -8.488 1.00 10.00 C ATOM 767 C SER B 51 11.440 -7.560 -9.068 1.00 10.00 C ATOM 768 O SER B 51 12.267 -6.897 -9.698 1.00 10.00 O ATOM 769 CB SER B 51 13.100 -8.771 -7.618 1.00 10.00 C ATOM 770 OG SER B 51 13.598 -10.050 -7.234 1.00 10.00 O ATOM 0 HA SER B 51 11.078 -9.357 -7.844 1.00 10.00 H new ATOM 0 HB2 SER B 51 13.867 -8.226 -8.169 1.00 10.00 H new ATOM 0 HB3 SER B 51 12.868 -8.183 -6.730 1.00 10.00 H new ATOM 0 HG SER B 51 13.143 -10.347 -6.419 1.00 10.00 H new ATOM 776 N ILE B 52 10.193 -7.117 -8.861 1.00 10.00 N ATOM 777 CA ILE B 52 9.640 -5.929 -9.560 1.00 10.00 C ATOM 778 C ILE B 52 9.922 -4.653 -8.763 1.00 10.00 C ATOM 779 O ILE B 52 9.998 -3.570 -9.337 1.00 10.00 O ATOM 780 CB ILE B 52 8.110 -6.055 -9.831 1.00 10.00 C ATOM 781 CG1 ILE B 52 7.573 -7.494 -9.975 1.00 10.00 C ATOM 782 CG2 ILE B 52 7.788 -5.297 -11.130 1.00 10.00 C ATOM 783 CD1 ILE B 52 7.121 -8.119 -8.639 1.00 10.00 C ATOM 0 H ILE B 52 9.539 -7.559 -8.215 1.00 10.00 H new ATOM 0 HA ILE B 52 10.142 -5.873 -10.526 1.00 10.00 H new ATOM 0 HB ILE B 52 7.621 -5.641 -8.949 1.00 10.00 H new ATOM 0 HG12 ILE B 52 6.732 -7.492 -10.669 1.00 10.00 H new ATOM 0 HG13 ILE B 52 8.349 -8.120 -10.416 1.00 10.00 H new ATOM 0 HG21 ILE B 52 6.721 -5.372 -11.340 1.00 10.00 H new ATOM 0 HG22 ILE B 52 8.063 -4.248 -11.017 1.00 10.00 H new ATOM 0 HG23 ILE B 52 8.351 -5.733 -11.955 1.00 10.00 H new ATOM 0 HD11 ILE B 52 6.755 -9.130 -8.816 1.00 10.00 H new ATOM 0 HD12 ILE B 52 7.965 -8.153 -7.950 1.00 10.00 H new ATOM 0 HD13 ILE B 52 6.323 -7.515 -8.206 1.00 10.00 H new ATOM 795 N SER B 53 10.200 -4.790 -7.461 1.00 10.00 N ATOM 796 CA SER B 53 10.382 -3.699 -6.516 1.00 10.00 C ATOM 797 C SER B 53 11.795 -3.237 -6.161 1.00 10.00 C ATOM 798 O SER B 53 11.825 -2.270 -5.415 1.00 10.00 O ATOM 799 CB SER B 53 9.559 -3.982 -5.257 1.00 10.00 C ATOM 800 OG SER B 53 9.881 -5.245 -4.709 1.00 10.00 O ATOM 0 H SER B 53 10.307 -5.706 -7.026 1.00 10.00 H new ATOM 0 HA SER B 53 10.023 -2.832 -7.071 1.00 10.00 H new ATOM 0 HB2 SER B 53 9.743 -3.204 -4.516 1.00 10.00 H new ATOM 0 HB3 SER B 53 8.497 -3.947 -5.498 1.00 10.00 H new ATOM 0 HG SER B 53 9.342 -5.400 -3.905 1.00 10.00 H new ATOM 806 N PRO B 54 12.957 -3.722 -6.657 1.00 10.00 N ATOM 807 CA PRO B 54 14.237 -3.135 -6.241 1.00 10.00 C ATOM 808 C PRO B 54 14.406 -1.656 -6.671 1.00 10.00 C ATOM 809 O PRO B 54 15.224 -0.935 -6.088 1.00 10.00 O ATOM 810 CB PRO B 54 15.322 -4.053 -6.808 1.00 10.00 C ATOM 811 CG PRO B 54 14.644 -4.630 -8.042 1.00 10.00 C ATOM 812 CD PRO B 54 13.188 -4.787 -7.618 1.00 10.00 C ATOM 0 HA PRO B 54 14.300 -3.082 -5.154 1.00 10.00 H new ATOM 0 HB2 PRO B 54 16.229 -3.503 -7.061 1.00 10.00 H new ATOM 0 HB3 PRO B 54 15.608 -4.831 -6.100 1.00 10.00 H new ATOM 0 HG2 PRO B 54 14.741 -3.964 -8.900 1.00 10.00 H new ATOM 0 HG3 PRO B 54 15.082 -5.586 -8.329 1.00 10.00 H new ATOM 0 HD2 PRO B 54 12.517 -4.699 -8.472 1.00 10.00 H new ATOM 0 HD3 PRO B 54 13.010 -5.766 -7.172 1.00 10.00 H new ATOM 820 N SER B 55 13.624 -1.197 -7.664 1.00 10.00 N ATOM 821 CA SER B 55 13.498 0.205 -8.045 1.00 10.00 C ATOM 822 C SER B 55 12.524 0.938 -7.114 1.00 10.00 C ATOM 823 O SER B 55 12.908 1.926 -6.497 1.00 10.00 O ATOM 824 CB SER B 55 13.009 0.323 -9.490 1.00 10.00 C ATOM 825 OG SER B 55 11.910 -0.552 -9.717 1.00 10.00 O ATOM 0 H SER B 55 13.049 -1.816 -8.235 1.00 10.00 H new ATOM 0 HA SER B 55 14.482 0.666 -7.959 1.00 10.00 H new ATOM 0 HB2 SER B 55 12.712 1.351 -9.697 1.00 10.00 H new ATOM 0 HB3 SER B 55 13.821 0.082 -10.176 1.00 10.00 H new ATOM 0 HG SER B 55 11.608 -0.464 -10.645 1.00 10.00 H new ATOM 831 N ALA B 56 11.279 0.453 -6.974 1.00 10.00 N ATOM 832 CA ALA B 56 10.286 1.050 -6.076 1.00 10.00 C ATOM 833 C ALA B 56 10.762 1.065 -4.596 1.00 10.00 C ATOM 834 O ALA B 56 10.427 1.971 -3.840 1.00 10.00 O ATOM 835 CB ALA B 56 8.975 0.287 -6.239 1.00 10.00 C ATOM 0 H ALA B 56 10.936 -0.363 -7.481 1.00 10.00 H new ATOM 0 HA ALA B 56 10.141 2.096 -6.347 1.00 10.00 H new ATOM 0 HB1 ALA B 56 8.220 0.715 -5.579 1.00 10.00 H new ATOM 0 HB2 ALA B 56 8.637 0.361 -7.273 1.00 10.00 H new ATOM 0 HB3 ALA B 56 9.130 -0.761 -5.982 1.00 10.00 H new ATOM 841 N LEU B 57 11.613 0.121 -4.201 1.00 10.00 N ATOM 842 CA LEU B 57 12.335 0.042 -2.930 1.00 10.00 C ATOM 843 C LEU B 57 13.205 1.276 -2.682 1.00 10.00 C ATOM 844 O LEU B 57 13.496 1.595 -1.533 1.00 10.00 O ATOM 845 CB LEU B 57 13.184 -1.235 -3.016 1.00 10.00 C ATOM 846 CG LEU B 57 14.273 -1.540 -1.983 1.00 10.00 C ATOM 847 CD1 LEU B 57 13.652 -1.920 -0.638 1.00 10.00 C ATOM 848 CD2 LEU B 57 15.128 -2.690 -2.536 1.00 10.00 C ATOM 0 H LEU B 57 11.834 -0.670 -4.806 1.00 10.00 H new ATOM 0 HA LEU B 57 11.642 0.010 -2.089 1.00 10.00 H new ATOM 0 HB2 LEU B 57 12.492 -2.077 -3.006 1.00 10.00 H new ATOM 0 HB3 LEU B 57 13.666 -1.230 -3.994 1.00 10.00 H new ATOM 0 HG LEU B 57 14.892 -0.659 -1.812 1.00 10.00 H new ATOM 0 HD11 LEU B 57 14.443 -2.133 0.081 1.00 10.00 H new ATOM 0 HD12 LEU B 57 13.042 -1.094 -0.273 1.00 10.00 H new ATOM 0 HD13 LEU B 57 13.028 -2.805 -0.763 1.00 10.00 H new ATOM 0 HD21 LEU B 57 15.916 -2.933 -1.823 1.00 10.00 H new ATOM 0 HD22 LEU B 57 14.500 -3.566 -2.696 1.00 10.00 H new ATOM 0 HD23 LEU B 57 15.576 -2.388 -3.482 1.00 10.00 H new ATOM 860 N GLN B 58 13.618 1.964 -3.745 1.00 10.00 N ATOM 861 CA GLN B 58 14.246 3.276 -3.674 1.00 10.00 C ATOM 862 C GLN B 58 13.194 4.368 -3.906 1.00 10.00 C ATOM 863 O GLN B 58 12.947 5.196 -3.026 1.00 10.00 O ATOM 864 CB GLN B 58 15.403 3.334 -4.689 1.00 10.00 C ATOM 865 CG GLN B 58 16.497 2.308 -4.357 1.00 10.00 C ATOM 866 CD GLN B 58 17.407 2.092 -5.563 1.00 10.00 C ATOM 867 OE1 GLN B 58 18.322 2.857 -5.825 1.00 10.00 O ATOM 868 NE2 GLN B 58 17.202 1.038 -6.335 1.00 10.00 N ATOM 0 H GLN B 58 13.522 1.615 -4.699 1.00 10.00 H new ATOM 0 HA GLN B 58 14.668 3.450 -2.684 1.00 10.00 H new ATOM 0 HB2 GLN B 58 15.018 3.146 -5.691 1.00 10.00 H new ATOM 0 HB3 GLN B 58 15.832 4.336 -4.695 1.00 10.00 H new ATOM 0 HG2 GLN B 58 17.085 2.656 -3.507 1.00 10.00 H new ATOM 0 HG3 GLN B 58 16.041 1.363 -4.064 1.00 10.00 H new ATOM 0 HE21 GLN B 58 16.441 0.393 -6.125 1.00 10.00 H new ATOM 0 HE22 GLN B 58 17.805 0.870 -7.140 1.00 10.00 H new ATOM 877 N ASP B 59 12.522 4.344 -5.068 1.00 10.00 N ATOM 878 CA ASP B 59 11.672 5.428 -5.538 1.00 10.00 C ATOM 879 C ASP B 59 10.277 5.526 -4.925 1.00 10.00 C ATOM 880 O ASP B 59 9.829 6.643 -4.671 1.00 10.00 O ATOM 881 CB ASP B 59 11.604 5.407 -7.074 1.00 10.00 C ATOM 882 CG ASP B 59 12.006 6.788 -7.598 1.00 10.00 C ATOM 883 OD1 ASP B 59 13.149 7.203 -7.315 1.00 10.00 O ATOM 884 OD2 ASP B 59 11.142 7.510 -8.133 1.00 10.00 O ATOM 0 H ASP B 59 12.561 3.554 -5.712 1.00 10.00 H new ATOM 0 HA ASP B 59 12.160 6.334 -5.180 1.00 10.00 H new ATOM 0 HB2 ASP B 59 12.271 4.642 -7.472 1.00 10.00 H new ATOM 0 HB3 ASP B 59 10.596 5.155 -7.405 1.00 10.00 H new ATOM 889 N LEU B 60 9.567 4.417 -4.660 1.00 10.00 N ATOM 890 CA LEU B 60 8.283 4.467 -3.960 1.00 10.00 C ATOM 891 C LEU B 60 8.515 4.641 -2.455 1.00 10.00 C ATOM 892 O LEU B 60 7.774 5.357 -1.778 1.00 10.00 O ATOM 893 CB LEU B 60 7.448 3.207 -4.268 1.00 10.00 C ATOM 894 CG LEU B 60 6.009 3.213 -3.740 1.00 10.00 C ATOM 895 CD1 LEU B 60 5.252 4.521 -3.952 1.00 10.00 C ATOM 896 CD2 LEU B 60 5.218 2.119 -4.467 1.00 10.00 C ATOM 0 H LEU B 60 9.865 3.477 -4.922 1.00 10.00 H new ATOM 0 HA LEU B 60 7.714 5.327 -4.314 1.00 10.00 H new ATOM 0 HB2 LEU B 60 7.417 3.070 -5.349 1.00 10.00 H new ATOM 0 HB3 LEU B 60 7.964 2.342 -3.852 1.00 10.00 H new ATOM 0 HG LEU B 60 6.091 3.056 -2.664 1.00 10.00 H new ATOM 0 HD11 LEU B 60 4.245 4.428 -3.546 1.00 10.00 H new ATOM 0 HD12 LEU B 60 5.775 5.331 -3.443 1.00 10.00 H new ATOM 0 HD13 LEU B 60 5.195 4.740 -5.018 1.00 10.00 H new ATOM 0 HD21 LEU B 60 4.191 2.110 -4.103 1.00 10.00 H new ATOM 0 HD22 LEU B 60 5.221 2.319 -5.539 1.00 10.00 H new ATOM 0 HD23 LEU B 60 5.679 1.150 -4.277 1.00 10.00 H new ATOM 908 N LEU B 61 9.607 4.045 -1.945 1.00 10.00 N ATOM 909 CA LEU B 61 10.055 4.194 -0.570 1.00 10.00 C ATOM 910 C LEU B 61 10.375 5.659 -0.250 1.00 10.00 C ATOM 911 O LEU B 61 9.744 6.193 0.663 1.00 10.00 O ATOM 912 CB LEU B 61 11.225 3.237 -0.307 1.00 10.00 C ATOM 913 CG LEU B 61 11.373 2.811 1.167 1.00 10.00 C ATOM 914 CD1 LEU B 61 10.388 1.694 1.520 1.00 10.00 C ATOM 915 CD2 LEU B 61 12.781 2.309 1.487 1.00 10.00 C ATOM 0 H LEU B 61 10.209 3.435 -2.499 1.00 10.00 H new ATOM 0 HA LEU B 61 9.253 3.917 0.114 1.00 10.00 H new ATOM 0 HB2 LEU B 61 11.095 2.345 -0.920 1.00 10.00 H new ATOM 0 HB3 LEU B 61 12.150 3.714 -0.630 1.00 10.00 H new ATOM 0 HG LEU B 61 11.166 3.704 1.757 1.00 10.00 H new ATOM 0 HD11 LEU B 61 10.515 1.414 2.566 1.00 10.00 H new ATOM 0 HD12 LEU B 61 9.368 2.044 1.360 1.00 10.00 H new ATOM 0 HD13 LEU B 61 10.578 0.828 0.887 1.00 10.00 H new ATOM 0 HD21 LEU B 61 12.835 2.021 2.537 1.00 10.00 H new ATOM 0 HD22 LEU B 61 13.010 1.446 0.862 1.00 10.00 H new ATOM 0 HD23 LEU B 61 13.503 3.102 1.291 1.00 10.00 H new ATOM 927 N ARG B 62 11.259 6.344 -0.998 1.00 10.00 N ATOM 928 CA ARG B 62 11.464 7.795 -0.798 1.00 10.00 C ATOM 929 C ARG B 62 10.163 8.596 -0.973 1.00 10.00 C ATOM 930 O ARG B 62 9.938 9.579 -0.265 1.00 10.00 O ATOM 931 CB ARG B 62 12.603 8.328 -1.682 1.00 10.00 C ATOM 932 CG ARG B 62 12.194 8.510 -3.159 1.00 10.00 C ATOM 933 CD ARG B 62 13.339 8.928 -4.084 1.00 10.00 C ATOM 934 NE ARG B 62 12.844 9.111 -5.463 1.00 10.00 N ATOM 935 CZ ARG B 62 12.071 10.080 -5.944 1.00 10.00 C ATOM 936 NH1 ARG B 62 11.833 11.179 -5.262 1.00 10.00 N ATOM 937 NH2 ARG B 62 11.489 9.957 -7.108 1.00 10.00 N ATOM 0 H ARG B 62 11.833 5.930 -1.732 1.00 10.00 H new ATOM 0 HA ARG B 62 11.770 7.938 0.238 1.00 10.00 H new ATOM 0 HB2 ARG B 62 12.944 9.285 -1.286 1.00 10.00 H new ATOM 0 HB3 ARG B 62 13.448 7.641 -1.628 1.00 10.00 H new ATOM 0 HG2 ARG B 62 11.771 7.574 -3.524 1.00 10.00 H new ATOM 0 HG3 ARG B 62 11.405 9.260 -3.215 1.00 10.00 H new ATOM 0 HD2 ARG B 62 13.786 9.855 -3.725 1.00 10.00 H new ATOM 0 HD3 ARG B 62 14.122 8.170 -4.069 1.00 10.00 H new ATOM 0 HE ARG B 62 13.133 8.400 -6.135 1.00 10.00 H new ATOM 0 HH11 ARG B 62 12.246 11.305 -4.338 1.00 10.00 H new ATOM 0 HH12 ARG B 62 11.236 11.905 -5.657 1.00 10.00 H new ATOM 0 HH21 ARG B 62 11.625 9.110 -7.659 1.00 10.00 H new ATOM 0 HH22 ARG B 62 10.899 10.708 -7.465 1.00 10.00 H new ATOM 951 N THR B 63 9.285 8.141 -1.876 1.00 10.00 N ATOM 952 CA THR B 63 8.013 8.782 -2.220 1.00 10.00 C ATOM 953 C THR B 63 6.986 8.772 -1.091 1.00 10.00 C ATOM 954 O THR B 63 6.129 9.654 -1.096 1.00 10.00 O ATOM 955 CB THR B 63 7.434 8.162 -3.502 1.00 10.00 C ATOM 956 OG1 THR B 63 8.212 8.605 -4.580 1.00 10.00 O ATOM 957 CG2 THR B 63 5.964 8.427 -3.832 1.00 10.00 C ATOM 0 H THR B 63 9.449 7.285 -2.406 1.00 10.00 H new ATOM 0 HA THR B 63 8.238 9.834 -2.394 1.00 10.00 H new ATOM 0 HB THR B 63 7.469 7.088 -3.320 1.00 10.00 H new ATOM 0 HG1 THR B 63 8.800 7.880 -4.879 1.00 10.00 H new ATOM 0 HG21 THR B 63 5.704 7.925 -4.764 1.00 10.00 H new ATOM 0 HG22 THR B 63 5.336 8.046 -3.027 1.00 10.00 H new ATOM 0 HG23 THR B 63 5.803 9.500 -3.941 1.00 10.00 H new ATOM 965 N LEU B 64 7.082 7.850 -0.117 1.00 10.00 N ATOM 966 CA LEU B 64 6.271 7.914 1.110 1.00 10.00 C ATOM 967 C LEU B 64 7.090 8.122 2.400 1.00 10.00 C ATOM 968 O LEU B 64 6.515 8.459 3.434 1.00 10.00 O ATOM 969 CB LEU B 64 5.258 6.758 1.203 1.00 10.00 C ATOM 970 CG LEU B 64 3.858 7.316 1.531 1.00 10.00 C ATOM 971 CD1 LEU B 64 3.096 7.672 0.254 1.00 10.00 C ATOM 972 CD2 LEU B 64 2.987 6.358 2.353 1.00 10.00 C ATOM 0 H LEU B 64 7.714 7.051 -0.157 1.00 10.00 H new ATOM 0 HA LEU B 64 5.683 8.828 1.022 1.00 10.00 H new ATOM 0 HB2 LEU B 64 5.230 6.210 0.261 1.00 10.00 H new ATOM 0 HB3 LEU B 64 5.568 6.052 1.973 1.00 10.00 H new ATOM 0 HG LEU B 64 4.045 8.204 2.134 1.00 10.00 H new ATOM 0 HD11 LEU B 64 2.112 8.063 0.514 1.00 10.00 H new ATOM 0 HD12 LEU B 64 3.651 8.427 -0.302 1.00 10.00 H new ATOM 0 HD13 LEU B 64 2.981 6.780 -0.362 1.00 10.00 H new ATOM 0 HD21 LEU B 64 2.018 6.820 2.544 1.00 10.00 H new ATOM 0 HD22 LEU B 64 2.844 5.430 1.799 1.00 10.00 H new ATOM 0 HD23 LEU B 64 3.479 6.142 3.301 1.00 10.00 H new ATOM 984 N LYS B 65 8.423 7.953 2.357 1.00 10.00 N ATOM 985 CA LYS B 65 9.324 8.376 3.452 1.00 10.00 C ATOM 986 C LYS B 65 9.258 9.908 3.535 1.00 10.00 C ATOM 987 O LYS B 65 9.264 10.456 4.629 1.00 10.00 O ATOM 988 CB LYS B 65 10.763 7.885 3.235 1.00 10.00 C ATOM 989 CG LYS B 65 10.942 6.481 3.840 1.00 10.00 C ATOM 990 CD LYS B 65 12.364 5.916 3.662 1.00 10.00 C ATOM 991 CE LYS B 65 12.665 4.755 4.627 1.00 10.00 C ATOM 992 NZ LYS B 65 11.679 3.655 4.516 1.00 10.00 N ATOM 0 H LYS B 65 8.907 7.523 1.569 1.00 10.00 H new ATOM 0 HA LYS B 65 9.000 7.930 4.392 1.00 10.00 H new ATOM 0 HB2 LYS B 65 10.990 7.861 2.169 1.00 10.00 H new ATOM 0 HB3 LYS B 65 11.465 8.580 3.695 1.00 10.00 H new ATOM 0 HG2 LYS B 65 10.704 6.518 4.903 1.00 10.00 H new ATOM 0 HG3 LYS B 65 10.228 5.800 3.377 1.00 10.00 H new ATOM 0 HD2 LYS B 65 12.488 5.572 2.635 1.00 10.00 H new ATOM 0 HD3 LYS B 65 13.090 6.713 3.821 1.00 10.00 H new ATOM 0 HE2 LYS B 65 13.663 4.366 4.423 1.00 10.00 H new ATOM 0 HE3 LYS B 65 12.672 5.130 5.650 1.00 10.00 H new ATOM 0 HZ1 LYS B 65 11.125 3.596 5.394 1.00 10.00 H new ATOM 0 HZ2 LYS B 65 11.041 3.840 3.716 1.00 10.00 H new ATOM 0 HZ3 LYS B 65 12.178 2.756 4.360 1.00 10.00 H new ATOM 1006 N SER B 66 9.215 10.582 2.379 1.00 10.00 N ATOM 1007 CA SER B 66 8.886 12.007 2.314 1.00 10.00 C ATOM 1008 C SER B 66 7.375 12.077 2.632 1.00 10.00 C ATOM 1009 O SER B 66 6.601 11.374 1.979 1.00 10.00 O ATOM 1010 CB SER B 66 9.267 12.623 0.959 1.00 10.00 C ATOM 1011 OG SER B 66 8.838 11.890 -0.175 1.00 10.00 O ATOM 0 H SER B 66 9.406 10.158 1.471 1.00 10.00 H new ATOM 0 HA SER B 66 9.456 12.602 3.027 1.00 10.00 H new ATOM 0 HB2 SER B 66 8.848 13.628 0.903 1.00 10.00 H new ATOM 0 HB3 SER B 66 10.351 12.727 0.916 1.00 10.00 H new ATOM 0 HG SER B 66 9.498 11.197 -0.385 1.00 10.00 H new ATOM 1017 N PRO B 67 6.925 12.796 3.687 1.00 10.00 N ATOM 1018 CA PRO B 67 5.538 12.685 4.149 1.00 10.00 C ATOM 1019 C PRO B 67 4.455 13.118 3.167 1.00 10.00 C ATOM 1020 O PRO B 67 4.636 13.993 2.322 1.00 10.00 O ATOM 1021 CB PRO B 67 5.459 13.529 5.426 1.00 10.00 C ATOM 1022 CG PRO B 67 6.896 13.522 5.941 1.00 10.00 C ATOM 1023 CD PRO B 67 7.709 13.553 4.646 1.00 10.00 C ATOM 0 HA PRO B 67 5.324 11.626 4.296 1.00 10.00 H new ATOM 0 HB2 PRO B 67 5.111 14.541 5.218 1.00 10.00 H new ATOM 0 HB3 PRO B 67 4.770 13.097 6.152 1.00 10.00 H new ATOM 0 HG2 PRO B 67 7.105 14.385 6.573 1.00 10.00 H new ATOM 0 HG3 PRO B 67 7.111 12.633 6.534 1.00 10.00 H new ATOM 0 HD2 PRO B 67 7.868 14.576 4.305 1.00 10.00 H new ATOM 0 HD3 PRO B 67 8.694 13.108 4.788 1.00 10.00 H new ATOM 1031 N SER B 68 3.255 12.569 3.401 1.00 10.00 N ATOM 1032 CA SER B 68 1.994 12.717 2.666 1.00 10.00 C ATOM 1033 C SER B 68 1.436 14.144 2.571 1.00 10.00 C ATOM 1034 O SER B 68 0.345 14.318 2.038 1.00 10.00 O ATOM 1035 CB SER B 68 0.939 11.837 3.342 1.00 10.00 C ATOM 1036 OG SER B 68 1.429 10.549 3.668 1.00 10.00 O ATOM 0 H SER B 68 3.133 11.943 4.197 1.00 10.00 H new ATOM 0 HA SER B 68 2.219 12.421 1.641 1.00 10.00 H new ATOM 0 HB2 SER B 68 0.589 12.329 4.250 1.00 10.00 H new ATOM 0 HB3 SER B 68 0.078 11.737 2.681 1.00 10.00 H new ATOM 0 HG SER B 68 1.164 10.320 4.583 1.00 10.00 H new ATOM 1042 N SER B 69 2.141 15.156 3.090 1.00 10.00 N ATOM 1043 CA SER B 69 1.790 16.568 2.896 1.00 10.00 C ATOM 1044 C SER B 69 2.204 17.029 1.491 1.00 10.00 C ATOM 1045 O SER B 69 1.301 17.205 0.669 1.00 10.00 O ATOM 1046 CB SER B 69 2.314 17.431 4.055 1.00 10.00 C ATOM 1047 OG SER B 69 2.098 18.797 3.789 1.00 10.00 O ATOM 0 H SER B 69 2.976 15.018 3.660 1.00 10.00 H new ATOM 0 HA SER B 69 0.708 16.696 2.933 1.00 10.00 H new ATOM 0 HB2 SER B 69 1.812 17.151 4.981 1.00 10.00 H new ATOM 0 HB3 SER B 69 3.378 17.247 4.201 1.00 10.00 H new ATOM 0 HG SER B 69 2.435 19.333 4.537 1.00 10.00 H new ATOM 1053 N PRO B 70 3.492 17.175 1.125 1.00 10.00 N ATOM 1054 CA PRO B 70 3.877 17.397 -0.265 1.00 10.00 C ATOM 1055 C PRO B 70 3.613 16.178 -1.167 1.00 10.00 C ATOM 1056 O PRO B 70 3.418 16.333 -2.370 1.00 10.00 O ATOM 1057 CB PRO B 70 5.367 17.743 -0.242 1.00 10.00 C ATOM 1058 CG PRO B 70 5.873 17.067 1.034 1.00 10.00 C ATOM 1059 CD PRO B 70 4.678 17.194 1.977 1.00 10.00 C ATOM 0 HA PRO B 70 3.275 18.199 -0.691 1.00 10.00 H new ATOM 0 HB2 PRO B 70 5.880 17.365 -1.126 1.00 10.00 H new ATOM 0 HB3 PRO B 70 5.528 18.821 -0.216 1.00 10.00 H new ATOM 0 HG2 PRO B 70 6.143 16.025 0.861 1.00 10.00 H new ATOM 0 HG3 PRO B 70 6.758 17.564 1.432 1.00 10.00 H new ATOM 0 HD2 PRO B 70 4.657 16.373 2.694 1.00 10.00 H new ATOM 0 HD3 PRO B 70 4.731 18.118 2.552 1.00 10.00 H new ATOM 1067 N GLN B 71 3.572 14.965 -0.598 1.00 10.00 N ATOM 1068 CA GLN B 71 3.421 13.713 -1.347 1.00 10.00 C ATOM 1069 C GLN B 71 1.960 13.276 -1.568 1.00 10.00 C ATOM 1070 O GLN B 71 1.736 12.179 -2.071 1.00 10.00 O ATOM 1071 CB GLN B 71 4.265 12.630 -0.658 1.00 10.00 C ATOM 1072 CG GLN B 71 5.754 12.969 -0.750 1.00 10.00 C ATOM 1073 CD GLN B 71 6.294 13.014 -2.169 1.00 10.00 C ATOM 1074 OE1 GLN B 71 6.483 14.064 -2.765 1.00 10.00 O ATOM 1075 NE2 GLN B 71 6.552 11.858 -2.744 1.00 10.00 N ATOM 0 H GLN B 71 3.644 14.826 0.410 1.00 10.00 H new ATOM 0 HA GLN B 71 3.788 13.881 -2.360 1.00 10.00 H new ATOM 0 HB2 GLN B 71 3.970 12.542 0.388 1.00 10.00 H new ATOM 0 HB3 GLN B 71 4.077 11.663 -1.125 1.00 10.00 H new ATOM 0 HG2 GLN B 71 5.925 13.936 -0.277 1.00 10.00 H new ATOM 0 HG3 GLN B 71 6.319 12.231 -0.181 1.00 10.00 H new ATOM 0 HE21 GLN B 71 6.390 10.988 -2.236 1.00 10.00 H new ATOM 0 HE22 GLN B 71 6.914 11.832 -3.697 1.00 10.00 H new ATOM 1084 N GLN B 72 0.983 14.124 -1.240 1.00 10.00 N ATOM 1085 CA GLN B 72 -0.467 13.875 -1.246 1.00 10.00 C ATOM 1086 C GLN B 72 -1.126 13.448 -2.581 1.00 10.00 C ATOM 1087 O GLN B 72 -2.349 13.409 -2.643 1.00 10.00 O ATOM 1088 CB GLN B 72 -1.176 15.155 -0.747 1.00 10.00 C ATOM 1089 CG GLN B 72 -1.092 16.337 -1.725 1.00 10.00 C ATOM 1090 CD GLN B 72 -1.749 17.578 -1.129 1.00 10.00 C ATOM 1091 OE1 GLN B 72 -2.856 17.955 -1.460 1.00 10.00 O ATOM 1092 NE2 GLN B 72 -1.089 18.256 -0.214 1.00 10.00 N ATOM 0 H GLN B 72 1.197 15.075 -0.940 1.00 10.00 H new ATOM 0 HA GLN B 72 -0.589 13.005 -0.601 1.00 10.00 H new ATOM 0 HB2 GLN B 72 -2.225 14.927 -0.558 1.00 10.00 H new ATOM 0 HB3 GLN B 72 -0.738 15.453 0.206 1.00 10.00 H new ATOM 0 HG2 GLN B 72 -0.049 16.549 -1.959 1.00 10.00 H new ATOM 0 HG3 GLN B 72 -1.582 16.075 -2.663 1.00 10.00 H new ATOM 0 HE21 GLN B 72 -0.159 17.952 0.074 1.00 10.00 H new ATOM 0 HE22 GLN B 72 -1.508 19.085 0.207 1.00 10.00 H new ATOM 1101 N GLN B 73 -0.364 13.214 -3.657 1.00 10.00 N ATOM 1102 CA GLN B 73 -0.923 13.032 -5.002 1.00 10.00 C ATOM 1103 C GLN B 73 -0.268 11.914 -5.843 1.00 10.00 C ATOM 1104 O GLN B 73 0.499 11.070 -5.377 1.00 10.00 O ATOM 1105 CB GLN B 73 -1.036 14.392 -5.726 1.00 10.00 C ATOM 1106 CG GLN B 73 0.299 15.051 -6.138 1.00 10.00 C ATOM 1107 CD GLN B 73 1.005 15.735 -4.968 1.00 10.00 C ATOM 1108 OE1 GLN B 73 0.613 16.803 -4.525 1.00 10.00 O ATOM 1109 NE2 GLN B 73 2.078 15.167 -4.465 1.00 10.00 N ATOM 0 H GLN B 73 0.653 13.146 -3.620 1.00 10.00 H new ATOM 0 HA GLN B 73 -1.933 12.645 -4.868 1.00 10.00 H new ATOM 0 HB2 GLN B 73 -1.643 14.256 -6.621 1.00 10.00 H new ATOM 0 HB3 GLN B 73 -1.575 15.083 -5.078 1.00 10.00 H new ATOM 0 HG2 GLN B 73 0.958 14.293 -6.562 1.00 10.00 H new ATOM 0 HG3 GLN B 73 0.111 15.784 -6.922 1.00 10.00 H new ATOM 0 HE21 GLN B 73 2.404 14.275 -4.836 1.00 10.00 H new ATOM 0 HE22 GLN B 73 2.585 15.618 -3.703 1.00 10.00 H new ATOM 1118 N GLN B 74 -0.674 11.881 -7.117 1.00 10.00 N ATOM 1119 CA GLN B 74 -0.432 10.844 -8.112 1.00 10.00 C ATOM 1120 C GLN B 74 1.018 10.374 -8.345 1.00 10.00 C ATOM 1121 O GLN B 74 1.186 9.360 -9.019 1.00 10.00 O ATOM 1122 CB GLN B 74 -1.082 11.309 -9.429 1.00 10.00 C ATOM 1123 CG GLN B 74 -2.617 11.514 -9.343 1.00 10.00 C ATOM 1124 CD GLN B 74 -3.358 10.208 -9.090 1.00 10.00 C ATOM 1125 OE1 GLN B 74 -3.019 9.176 -9.646 1.00 10.00 O ATOM 1126 NE2 GLN B 74 -4.378 10.167 -8.254 1.00 10.00 N ATOM 0 H GLN B 74 -1.226 12.646 -7.506 1.00 10.00 H new ATOM 0 HA GLN B 74 -0.881 9.940 -7.700 1.00 10.00 H new ATOM 0 HB2 GLN B 74 -0.619 12.246 -9.739 1.00 10.00 H new ATOM 0 HB3 GLN B 74 -0.868 10.575 -10.206 1.00 10.00 H new ATOM 0 HG2 GLN B 74 -2.843 12.219 -8.543 1.00 10.00 H new ATOM 0 HG3 GLN B 74 -2.975 11.959 -10.271 1.00 10.00 H new ATOM 0 HE21 GLN B 74 -4.681 11.016 -7.777 1.00 10.00 H new ATOM 0 HE22 GLN B 74 -4.864 9.286 -8.085 1.00 10.00 H new ATOM 1135 N GLN B 75 2.060 11.000 -7.774 1.00 10.00 N ATOM 1136 CA GLN B 75 3.416 10.436 -7.841 1.00 10.00 C ATOM 1137 C GLN B 75 3.565 9.119 -7.066 1.00 10.00 C ATOM 1138 O GLN B 75 4.378 8.289 -7.468 1.00 10.00 O ATOM 1139 CB GLN B 75 4.497 11.488 -7.490 1.00 10.00 C ATOM 1140 CG GLN B 75 4.867 11.649 -6.011 1.00 10.00 C ATOM 1141 CD GLN B 75 3.676 11.957 -5.113 1.00 10.00 C ATOM 1142 OE1 GLN B 75 2.818 12.756 -5.454 1.00 10.00 O ATOM 1143 NE2 GLN B 75 3.597 11.316 -3.965 1.00 10.00 N ATOM 0 H GLN B 75 1.991 11.883 -7.268 1.00 10.00 H new ATOM 0 HA GLN B 75 3.587 10.161 -8.882 1.00 10.00 H new ATOM 0 HB2 GLN B 75 5.404 11.236 -8.039 1.00 10.00 H new ATOM 0 HB3 GLN B 75 4.159 12.456 -7.860 1.00 10.00 H new ATOM 0 HG2 GLN B 75 5.346 10.734 -5.663 1.00 10.00 H new ATOM 0 HG3 GLN B 75 5.601 12.449 -5.914 1.00 10.00 H new ATOM 0 HE21 GLN B 75 4.325 10.653 -3.700 1.00 10.00 H new ATOM 0 HE22 GLN B 75 2.808 11.483 -3.341 1.00 10.00 H new ATOM 1152 N VAL B 76 2.733 8.865 -6.041 1.00 10.00 N ATOM 1153 CA VAL B 76 2.691 7.531 -5.429 1.00 10.00 C ATOM 1154 C VAL B 76 2.084 6.576 -6.447 1.00 10.00 C ATOM 1155 O VAL B 76 2.668 5.531 -6.723 1.00 10.00 O ATOM 1156 CB VAL B 76 1.866 7.455 -4.130 1.00 10.00 C ATOM 1157 CG1 VAL B 76 2.276 6.233 -3.326 1.00 10.00 C ATOM 1158 CG2 VAL B 76 1.982 8.634 -3.188 1.00 10.00 C ATOM 0 H VAL B 76 2.097 9.548 -5.629 1.00 10.00 H new ATOM 0 HA VAL B 76 3.713 7.269 -5.155 1.00 10.00 H new ATOM 0 HB VAL B 76 0.837 7.427 -4.490 1.00 10.00 H new ATOM 0 HG11 VAL B 76 1.688 6.187 -2.409 1.00 10.00 H new ATOM 0 HG12 VAL B 76 2.100 5.333 -3.916 1.00 10.00 H new ATOM 0 HG13 VAL B 76 3.335 6.301 -3.075 1.00 10.00 H new ATOM 0 HG21 VAL B 76 1.356 8.463 -2.312 1.00 10.00 H new ATOM 0 HG22 VAL B 76 3.020 8.749 -2.876 1.00 10.00 H new ATOM 0 HG23 VAL B 76 1.654 9.540 -3.697 1.00 10.00 H new ATOM 1168 N LEU B 77 0.930 6.958 -7.008 1.00 10.00 N ATOM 1169 CA LEU B 77 0.130 6.120 -7.890 1.00 10.00 C ATOM 1170 C LEU B 77 0.893 5.764 -9.181 1.00 10.00 C ATOM 1171 O LEU B 77 0.850 4.623 -9.637 1.00 10.00 O ATOM 1172 CB LEU B 77 -1.241 6.777 -8.129 1.00 10.00 C ATOM 1173 CG LEU B 77 -2.397 5.748 -8.048 1.00 10.00 C ATOM 1174 CD1 LEU B 77 -3.748 6.468 -7.992 1.00 10.00 C ATOM 1175 CD2 LEU B 77 -2.418 4.767 -9.223 1.00 10.00 C ATOM 0 H LEU B 77 0.523 7.880 -6.854 1.00 10.00 H new ATOM 0 HA LEU B 77 -0.061 5.161 -7.409 1.00 10.00 H new ATOM 0 HB2 LEU B 77 -1.401 7.562 -7.390 1.00 10.00 H new ATOM 0 HB3 LEU B 77 -1.249 7.255 -9.108 1.00 10.00 H new ATOM 0 HG LEU B 77 -2.223 5.175 -7.137 1.00 10.00 H new ATOM 0 HD11 LEU B 77 -4.550 5.732 -7.935 1.00 10.00 H new ATOM 0 HD12 LEU B 77 -3.782 7.110 -7.112 1.00 10.00 H new ATOM 0 HD13 LEU B 77 -3.875 7.074 -8.889 1.00 10.00 H new ATOM 0 HD21 LEU B 77 -3.251 4.075 -9.104 1.00 10.00 H new ATOM 0 HD22 LEU B 77 -2.535 5.319 -10.156 1.00 10.00 H new ATOM 0 HD23 LEU B 77 -1.483 4.208 -9.247 1.00 10.00 H new ATOM 1187 N ASN B 78 1.662 6.719 -9.714 1.00 10.00 N ATOM 1188 CA ASN B 78 2.571 6.515 -10.833 1.00 10.00 C ATOM 1189 C ASN B 78 3.637 5.445 -10.545 1.00 10.00 C ATOM 1190 O ASN B 78 3.877 4.625 -11.428 1.00 10.00 O ATOM 1191 CB ASN B 78 3.215 7.854 -11.198 1.00 10.00 C ATOM 1192 CG ASN B 78 4.143 7.734 -12.395 1.00 10.00 C ATOM 1193 OD1 ASN B 78 3.772 7.225 -13.444 1.00 10.00 O ATOM 1194 ND2 ASN B 78 5.385 8.147 -12.270 1.00 10.00 N ATOM 0 H ASN B 78 1.665 7.678 -9.366 1.00 10.00 H new ATOM 0 HA ASN B 78 1.994 6.139 -11.678 1.00 10.00 H new ATOM 0 HB2 ASN B 78 2.435 8.583 -11.416 1.00 10.00 H new ATOM 0 HB3 ASN B 78 3.775 8.232 -10.342 1.00 10.00 H new ATOM 0 HD21 ASN B 78 6.038 8.043 -13.047 1.00 10.00 H new ATOM 0 HD22 ASN B 78 5.696 8.572 -11.396 1.00 10.00 H new ATOM 1201 N ILE B 79 4.268 5.425 -9.361 1.00 10.00 N ATOM 1202 CA ILE B 79 5.269 4.385 -9.079 1.00 10.00 C ATOM 1203 C ILE B 79 4.567 3.062 -8.717 1.00 10.00 C ATOM 1204 O ILE B 79 4.913 2.018 -9.271 1.00 10.00 O ATOM 1205 CB ILE B 79 6.333 4.829 -8.054 1.00 10.00 C ATOM 1206 CG1 ILE B 79 7.057 6.117 -8.521 1.00 10.00 C ATOM 1207 CG2 ILE B 79 7.393 3.718 -7.915 1.00 10.00 C ATOM 1208 CD1 ILE B 79 7.692 6.875 -7.354 1.00 10.00 C ATOM 0 H ILE B 79 4.111 6.093 -8.606 1.00 10.00 H new ATOM 0 HA ILE B 79 5.843 4.210 -9.989 1.00 10.00 H new ATOM 0 HB ILE B 79 5.830 5.021 -7.106 1.00 10.00 H new ATOM 0 HG12 ILE B 79 7.828 5.856 -9.246 1.00 10.00 H new ATOM 0 HG13 ILE B 79 6.346 6.767 -9.031 1.00 10.00 H new ATOM 0 HG21 ILE B 79 8.149 4.025 -7.192 1.00 10.00 H new ATOM 0 HG22 ILE B 79 6.915 2.800 -7.573 1.00 10.00 H new ATOM 0 HG23 ILE B 79 7.866 3.543 -8.882 1.00 10.00 H new ATOM 0 HD11 ILE B 79 8.188 7.770 -7.729 1.00 10.00 H new ATOM 0 HD12 ILE B 79 6.918 7.160 -6.641 1.00 10.00 H new ATOM 0 HD13 ILE B 79 8.423 6.235 -6.859 1.00 10.00 H new ATOM 1220 N LEU B 80 3.506 3.123 -7.886 1.00 10.00 N ATOM 1221 CA LEU B 80 2.587 2.022 -7.552 1.00 10.00 C ATOM 1222 C LEU B 80 2.237 1.163 -8.772 1.00 10.00 C ATOM 1223 O LEU B 80 2.533 -0.034 -8.789 1.00 10.00 O ATOM 1224 CB LEU B 80 1.287 2.606 -6.950 1.00 10.00 C ATOM 1225 CG LEU B 80 1.239 2.851 -5.437 1.00 10.00 C ATOM 1226 CD1 LEU B 80 0.092 3.778 -5.017 1.00 10.00 C ATOM 1227 CD2 LEU B 80 0.941 1.530 -4.746 1.00 10.00 C ATOM 0 H LEU B 80 3.257 3.988 -7.406 1.00 10.00 H new ATOM 0 HA LEU B 80 3.093 1.380 -6.831 1.00 10.00 H new ATOM 0 HB2 LEU B 80 1.085 3.554 -7.448 1.00 10.00 H new ATOM 0 HB3 LEU B 80 0.469 1.932 -7.205 1.00 10.00 H new ATOM 0 HG LEU B 80 2.196 3.296 -5.166 1.00 10.00 H new ATOM 0 HD11 LEU B 80 0.111 3.913 -3.936 1.00 10.00 H new ATOM 0 HD12 LEU B 80 0.209 4.745 -5.505 1.00 10.00 H new ATOM 0 HD13 LEU B 80 -0.860 3.335 -5.311 1.00 10.00 H new ATOM 0 HD21 LEU B 80 0.903 1.684 -3.668 1.00 10.00 H new ATOM 0 HD22 LEU B 80 -0.019 1.147 -5.092 1.00 10.00 H new ATOM 0 HD23 LEU B 80 1.725 0.811 -4.982 1.00 10.00 H new ATOM 1239 N LYS B 81 1.643 1.770 -9.812 1.00 10.00 N ATOM 1240 CA LYS B 81 1.189 1.047 -11.011 1.00 10.00 C ATOM 1241 C LYS B 81 2.312 0.412 -11.835 1.00 10.00 C ATOM 1242 O LYS B 81 2.004 -0.358 -12.743 1.00 10.00 O ATOM 1243 CB LYS B 81 0.231 1.920 -11.850 1.00 10.00 C ATOM 1244 CG LYS B 81 0.816 3.177 -12.514 1.00 10.00 C ATOM 1245 CD LYS B 81 1.539 2.893 -13.834 1.00 10.00 C ATOM 1246 CE LYS B 81 1.957 4.201 -14.515 1.00 10.00 C ATOM 1247 NZ LYS B 81 3.300 4.648 -14.081 1.00 10.00 N ATOM 0 H LYS B 81 1.464 2.774 -9.846 1.00 10.00 H new ATOM 0 HA LYS B 81 0.624 0.187 -10.653 1.00 10.00 H new ATOM 0 HB2 LYS B 81 -0.196 1.294 -12.633 1.00 10.00 H new ATOM 0 HB3 LYS B 81 -0.592 2.231 -11.206 1.00 10.00 H new ATOM 0 HG2 LYS B 81 0.011 3.889 -12.696 1.00 10.00 H new ATOM 0 HG3 LYS B 81 1.512 3.652 -11.823 1.00 10.00 H new ATOM 0 HD2 LYS B 81 2.419 2.277 -13.647 1.00 10.00 H new ATOM 0 HD3 LYS B 81 0.887 2.324 -14.497 1.00 10.00 H new ATOM 0 HE2 LYS B 81 1.952 4.064 -15.596 1.00 10.00 H new ATOM 0 HE3 LYS B 81 1.226 4.977 -14.289 1.00 10.00 H new ATOM 0 HZ1 LYS B 81 3.350 5.686 -14.121 1.00 10.00 H new ATOM 0 HZ2 LYS B 81 3.473 4.330 -13.106 1.00 10.00 H new ATOM 0 HZ3 LYS B 81 4.021 4.242 -14.711 1.00 10.00 H new ATOM 1261 N SER B 82 3.593 0.685 -11.544 1.00 10.00 N ATOM 1262 CA SER B 82 4.740 0.019 -12.186 1.00 10.00 C ATOM 1263 C SER B 82 5.188 -1.259 -11.494 1.00 10.00 C ATOM 1264 O SER B 82 6.102 -1.933 -11.955 1.00 10.00 O ATOM 1265 CB SER B 82 5.933 0.984 -12.260 1.00 10.00 C ATOM 1266 OG SER B 82 6.569 1.168 -11.005 1.00 10.00 O ATOM 0 H SER B 82 3.866 1.381 -10.850 1.00 10.00 H new ATOM 0 HA SER B 82 4.394 -0.264 -13.180 1.00 10.00 H new ATOM 0 HB2 SER B 82 6.659 0.603 -12.978 1.00 10.00 H new ATOM 0 HB3 SER B 82 5.591 1.949 -12.634 1.00 10.00 H new ATOM 0 HG SER B 82 5.891 1.229 -10.300 1.00 10.00 H new ATOM 1272 N ASN B 83 4.580 -1.600 -10.359 1.00 10.00 N ATOM 1273 CA ASN B 83 4.900 -2.769 -9.550 1.00 10.00 C ATOM 1274 C ASN B 83 3.561 -3.449 -9.217 1.00 10.00 C ATOM 1275 O ASN B 83 3.114 -3.367 -8.076 1.00 10.00 O ATOM 1276 CB ASN B 83 5.637 -2.275 -8.302 1.00 10.00 C ATOM 1277 CG ASN B 83 7.141 -2.160 -8.445 1.00 10.00 C ATOM 1278 OD1 ASN B 83 7.823 -2.256 -7.443 1.00 10.00 O ATOM 1279 ND2 ASN B 83 7.718 -2.020 -9.622 1.00 10.00 N ATOM 0 H ASN B 83 3.821 -1.045 -9.964 1.00 10.00 H new ATOM 0 HA ASN B 83 5.543 -3.491 -10.053 1.00 10.00 H new ATOM 0 HB2 ASN B 83 5.238 -1.299 -8.027 1.00 10.00 H new ATOM 0 HB3 ASN B 83 5.417 -2.953 -7.477 1.00 10.00 H new ATOM 0 HD21 ASN B 83 8.735 -1.992 -9.691 1.00 10.00 H new ATOM 0 HD22 ASN B 83 7.147 -1.939 -10.463 1.00 10.00 H new ATOM 1286 N PRO B 84 2.923 -4.123 -10.194 1.00 10.00 N ATOM 1287 CA PRO B 84 1.552 -4.607 -10.070 1.00 10.00 C ATOM 1288 C PRO B 84 1.285 -5.481 -8.832 1.00 10.00 C ATOM 1289 O PRO B 84 0.217 -5.377 -8.230 1.00 10.00 O ATOM 1290 CB PRO B 84 1.234 -5.294 -11.410 1.00 10.00 C ATOM 1291 CG PRO B 84 2.593 -5.524 -12.057 1.00 10.00 C ATOM 1292 CD PRO B 84 3.421 -4.362 -11.536 1.00 10.00 C ATOM 0 HA PRO B 84 0.871 -3.776 -9.886 1.00 10.00 H new ATOM 0 HB2 PRO B 84 0.704 -6.234 -11.257 1.00 10.00 H new ATOM 0 HB3 PRO B 84 0.598 -4.667 -12.036 1.00 10.00 H new ATOM 0 HG2 PRO B 84 3.020 -6.485 -11.769 1.00 10.00 H new ATOM 0 HG3 PRO B 84 2.528 -5.517 -13.145 1.00 10.00 H new ATOM 0 HD2 PRO B 84 4.483 -4.607 -11.526 1.00 10.00 H new ATOM 0 HD3 PRO B 84 3.303 -3.479 -12.165 1.00 10.00 H new ATOM 1300 N GLN B 85 2.266 -6.275 -8.388 1.00 10.00 N ATOM 1301 CA GLN B 85 2.158 -7.079 -7.166 1.00 10.00 C ATOM 1302 C GLN B 85 2.124 -6.208 -5.899 1.00 10.00 C ATOM 1303 O GLN B 85 1.280 -6.423 -5.032 1.00 10.00 O ATOM 1304 CB GLN B 85 3.299 -8.117 -7.089 1.00 10.00 C ATOM 1305 CG GLN B 85 3.580 -8.896 -8.387 1.00 10.00 C ATOM 1306 CD GLN B 85 2.319 -9.440 -9.065 1.00 10.00 C ATOM 1307 OE1 GLN B 85 1.812 -8.882 -10.028 1.00 10.00 O ATOM 1308 NE2 GLN B 85 1.750 -10.523 -8.579 1.00 10.00 N ATOM 0 H GLN B 85 3.160 -6.378 -8.868 1.00 10.00 H new ATOM 0 HA GLN B 85 1.208 -7.611 -7.215 1.00 10.00 H new ATOM 0 HB2 GLN B 85 4.213 -7.604 -6.790 1.00 10.00 H new ATOM 0 HB3 GLN B 85 3.062 -8.832 -6.301 1.00 10.00 H new ATOM 0 HG2 GLN B 85 4.104 -8.244 -9.085 1.00 10.00 H new ATOM 0 HG3 GLN B 85 4.249 -9.727 -8.164 1.00 10.00 H new ATOM 0 HE21 GLN B 85 2.162 -10.999 -7.776 1.00 10.00 H new ATOM 0 HE22 GLN B 85 0.898 -10.886 -9.005 1.00 10.00 H new ATOM 1317 N LEU B 86 2.991 -5.184 -5.816 1.00 10.00 N ATOM 1318 CA LEU B 86 2.934 -4.143 -4.778 1.00 10.00 C ATOM 1319 C LEU B 86 1.655 -3.321 -4.909 1.00 10.00 C ATOM 1320 O LEU B 86 1.068 -2.980 -3.890 1.00 10.00 O ATOM 1321 CB LEU B 86 4.210 -3.268 -4.828 1.00 10.00 C ATOM 1322 CG LEU B 86 4.412 -2.177 -3.747 1.00 10.00 C ATOM 1323 CD1 LEU B 86 3.618 -0.893 -3.993 1.00 10.00 C ATOM 1324 CD2 LEU B 86 4.136 -2.626 -2.315 1.00 10.00 C ATOM 0 H LEU B 86 3.759 -5.056 -6.475 1.00 10.00 H new ATOM 0 HA LEU B 86 2.904 -4.615 -3.796 1.00 10.00 H new ATOM 0 HB2 LEU B 86 5.070 -3.937 -4.786 1.00 10.00 H new ATOM 0 HB3 LEU B 86 4.235 -2.777 -5.801 1.00 10.00 H new ATOM 0 HG LEU B 86 5.478 -1.973 -3.849 1.00 10.00 H new ATOM 0 HD11 LEU B 86 3.817 -0.183 -3.190 1.00 10.00 H new ATOM 0 HD12 LEU B 86 3.918 -0.457 -4.946 1.00 10.00 H new ATOM 0 HD13 LEU B 86 2.553 -1.123 -4.018 1.00 10.00 H new ATOM 0 HD21 LEU B 86 4.305 -1.792 -1.633 1.00 10.00 H new ATOM 0 HD22 LEU B 86 3.102 -2.959 -2.231 1.00 10.00 H new ATOM 0 HD23 LEU B 86 4.804 -3.448 -2.056 1.00 10.00 H new ATOM 1336 N MET B 87 1.184 -3.043 -6.129 1.00 10.00 N ATOM 1337 CA MET B 87 -0.057 -2.312 -6.358 1.00 10.00 C ATOM 1338 C MET B 87 -1.269 -3.049 -5.780 1.00 10.00 C ATOM 1339 O MET B 87 -2.053 -2.462 -5.036 1.00 10.00 O ATOM 1340 CB MET B 87 -0.232 -2.038 -7.860 1.00 10.00 C ATOM 1341 CG MET B 87 -0.977 -0.718 -8.036 1.00 10.00 C ATOM 1342 SD MET B 87 -1.939 -0.556 -9.560 1.00 10.00 S ATOM 1343 CE MET B 87 -2.619 1.068 -9.154 1.00 10.00 C ATOM 0 H MET B 87 1.659 -3.322 -6.987 1.00 10.00 H new ATOM 0 HA MET B 87 0.007 -1.359 -5.833 1.00 10.00 H new ATOM 0 HB2 MET B 87 0.740 -1.991 -8.351 1.00 10.00 H new ATOM 0 HB3 MET B 87 -0.787 -2.850 -8.330 1.00 10.00 H new ATOM 0 HG2 MET B 87 -1.649 -0.586 -7.188 1.00 10.00 H new ATOM 0 HG3 MET B 87 -0.252 0.095 -7.998 1.00 10.00 H new ATOM 0 HE1 MET B 87 -3.324 1.371 -9.928 1.00 10.00 H new ATOM 0 HE2 MET B 87 -3.134 1.017 -8.194 1.00 10.00 H new ATOM 0 HE3 MET B 87 -1.810 1.796 -9.094 1.00 10.00 H new ATOM 1353 N ALA B 88 -1.399 -4.355 -6.060 1.00 10.00 N ATOM 1354 CA ALA B 88 -2.406 -5.217 -5.451 1.00 10.00 C ATOM 1355 C ALA B 88 -2.241 -5.284 -3.921 1.00 10.00 C ATOM 1356 O ALA B 88 -3.225 -5.119 -3.201 1.00 10.00 O ATOM 1357 CB ALA B 88 -2.341 -6.595 -6.110 1.00 10.00 C ATOM 0 H ALA B 88 -0.797 -4.841 -6.725 1.00 10.00 H new ATOM 0 HA ALA B 88 -3.398 -4.799 -5.622 1.00 10.00 H new ATOM 0 HB1 ALA B 88 -3.090 -7.248 -5.662 1.00 10.00 H new ATOM 0 HB2 ALA B 88 -2.537 -6.497 -7.178 1.00 10.00 H new ATOM 0 HB3 ALA B 88 -1.350 -7.023 -5.960 1.00 10.00 H new ATOM 1363 N ALA B 89 -1.017 -5.482 -3.417 1.00 10.00 N ATOM 1364 CA ALA B 89 -0.761 -5.497 -1.985 1.00 10.00 C ATOM 1365 C ALA B 89 -1.079 -4.148 -1.326 1.00 10.00 C ATOM 1366 O ALA B 89 -1.687 -4.155 -0.266 1.00 10.00 O ATOM 1367 CB ALA B 89 0.694 -5.924 -1.739 1.00 10.00 C ATOM 0 H ALA B 89 -0.187 -5.634 -3.991 1.00 10.00 H new ATOM 0 HA ALA B 89 -1.429 -6.221 -1.518 1.00 10.00 H new ATOM 0 HB1 ALA B 89 0.893 -5.937 -0.667 1.00 10.00 H new ATOM 0 HB2 ALA B 89 0.855 -6.920 -2.151 1.00 10.00 H new ATOM 0 HB3 ALA B 89 1.368 -5.218 -2.224 1.00 10.00 H new ATOM 1373 N PHE B 90 -0.755 -3.005 -1.943 1.00 10.00 N ATOM 1374 CA PHE B 90 -1.188 -1.669 -1.523 1.00 10.00 C ATOM 1375 C PHE B 90 -2.710 -1.613 -1.448 1.00 10.00 C ATOM 1376 O PHE B 90 -3.240 -1.340 -0.390 1.00 10.00 O ATOM 1377 CB PHE B 90 -0.650 -0.590 -2.473 1.00 10.00 C ATOM 1378 CG PHE B 90 -1.249 0.797 -2.293 1.00 10.00 C ATOM 1379 CD1 PHE B 90 -0.766 1.645 -1.285 1.00 10.00 C ATOM 1380 CD2 PHE B 90 -2.273 1.266 -3.130 1.00 10.00 C ATOM 1381 CE1 PHE B 90 -1.227 2.963 -1.165 1.00 10.00 C ATOM 1382 CE2 PHE B 90 -2.789 2.566 -2.967 1.00 10.00 C ATOM 1383 CZ PHE B 90 -2.250 3.425 -1.997 1.00 10.00 C ATOM 0 H PHE B 90 -0.165 -2.985 -2.775 1.00 10.00 H new ATOM 0 HA PHE B 90 -0.780 -1.470 -0.532 1.00 10.00 H new ATOM 0 HB2 PHE B 90 0.430 -0.520 -2.342 1.00 10.00 H new ATOM 0 HB3 PHE B 90 -0.826 -0.913 -3.499 1.00 10.00 H new ATOM 0 HD1 PHE B 90 -0.026 1.276 -0.590 1.00 10.00 H new ATOM 0 HD2 PHE B 90 -2.668 0.625 -3.905 1.00 10.00 H new ATOM 0 HE1 PHE B 90 -0.791 3.622 -0.429 1.00 10.00 H new ATOM 0 HE2 PHE B 90 -3.603 2.903 -3.591 1.00 10.00 H new ATOM 0 HZ PHE B 90 -2.622 4.434 -1.895 1.00 10.00 H new ATOM 1393 N ILE B 91 -3.415 -1.921 -2.541 1.00 10.00 N ATOM 1394 CA ILE B 91 -4.893 -1.936 -2.575 1.00 10.00 C ATOM 1395 C ILE B 91 -5.450 -2.770 -1.412 1.00 10.00 C ATOM 1396 O ILE B 91 -6.230 -2.270 -0.591 1.00 10.00 O ATOM 1397 CB ILE B 91 -5.405 -2.384 -3.966 1.00 10.00 C ATOM 1398 CG1 ILE B 91 -5.093 -1.281 -5.010 1.00 10.00 C ATOM 1399 CG2 ILE B 91 -6.917 -2.645 -3.962 1.00 10.00 C ATOM 1400 CD1 ILE B 91 -5.242 -1.743 -6.467 1.00 10.00 C ATOM 0 H ILE B 91 -2.983 -2.168 -3.431 1.00 10.00 H new ATOM 0 HA ILE B 91 -5.270 -0.924 -2.430 1.00 10.00 H new ATOM 0 HB ILE B 91 -4.897 -3.314 -4.221 1.00 10.00 H new ATOM 0 HG12 ILE B 91 -5.757 -0.434 -4.838 1.00 10.00 H new ATOM 0 HG13 ILE B 91 -4.075 -0.925 -4.854 1.00 10.00 H new ATOM 0 HG21 ILE B 91 -7.235 -2.957 -4.957 1.00 10.00 H new ATOM 0 HG22 ILE B 91 -7.149 -3.431 -3.244 1.00 10.00 H new ATOM 0 HG23 ILE B 91 -7.443 -1.732 -3.683 1.00 10.00 H new ATOM 0 HD11 ILE B 91 -5.007 -0.916 -7.137 1.00 10.00 H new ATOM 0 HD12 ILE B 91 -4.558 -2.570 -6.658 1.00 10.00 H new ATOM 0 HD13 ILE B 91 -6.267 -2.071 -6.642 1.00 10.00 H new ATOM 1412 N LYS B 92 -5.007 -4.026 -1.308 1.00 10.00 N ATOM 1413 CA LYS B 92 -5.478 -4.941 -0.273 1.00 10.00 C ATOM 1414 C LYS B 92 -5.103 -4.482 1.143 1.00 10.00 C ATOM 1415 O LYS B 92 -5.983 -4.329 1.992 1.00 10.00 O ATOM 1416 CB LYS B 92 -4.960 -6.352 -0.581 1.00 10.00 C ATOM 1417 CG LYS B 92 -5.549 -7.402 0.360 1.00 10.00 C ATOM 1418 CD LYS B 92 -7.083 -7.437 0.220 1.00 10.00 C ATOM 1419 CE LYS B 92 -7.763 -8.605 0.926 1.00 10.00 C ATOM 1420 NZ LYS B 92 -9.162 -8.700 0.468 1.00 10.00 N ATOM 0 H LYS B 92 -4.315 -4.433 -1.937 1.00 10.00 H new ATOM 0 HA LYS B 92 -6.568 -4.949 -0.288 1.00 10.00 H new ATOM 0 HB2 LYS B 92 -5.206 -6.611 -1.611 1.00 10.00 H new ATOM 0 HB3 LYS B 92 -3.873 -6.364 -0.501 1.00 10.00 H new ATOM 0 HG2 LYS B 92 -5.133 -8.383 0.130 1.00 10.00 H new ATOM 0 HG3 LYS B 92 -5.275 -7.173 1.390 1.00 10.00 H new ATOM 0 HD2 LYS B 92 -7.491 -6.506 0.613 1.00 10.00 H new ATOM 0 HD3 LYS B 92 -7.336 -7.474 -0.840 1.00 10.00 H new ATOM 0 HE2 LYS B 92 -7.234 -9.533 0.711 1.00 10.00 H new ATOM 0 HE3 LYS B 92 -7.730 -8.462 2.006 1.00 10.00 H new ATOM 0 HZ1 LYS B 92 -9.631 -9.495 0.947 1.00 10.00 H new ATOM 0 HZ2 LYS B 92 -9.662 -7.817 0.694 1.00 10.00 H new ATOM 0 HZ3 LYS B 92 -9.181 -8.855 -0.560 1.00 10.00 H new ATOM 1434 N GLN B 93 -3.813 -4.273 1.415 1.00 10.00 N ATOM 1435 CA GLN B 93 -3.330 -3.913 2.737 1.00 10.00 C ATOM 1436 C GLN B 93 -3.778 -2.506 3.158 1.00 10.00 C ATOM 1437 O GLN B 93 -4.078 -2.338 4.331 1.00 10.00 O ATOM 1438 CB GLN B 93 -1.805 -4.104 2.834 1.00 10.00 C ATOM 1439 CG GLN B 93 -1.159 -3.618 4.140 1.00 10.00 C ATOM 1440 CD GLN B 93 -1.790 -4.131 5.437 1.00 10.00 C ATOM 1441 OE1 GLN B 93 -2.013 -5.313 5.623 1.00 10.00 O ATOM 1442 NE2 GLN B 93 -2.043 -3.253 6.398 1.00 10.00 N ATOM 0 H GLN B 93 -3.075 -4.351 0.715 1.00 10.00 H new ATOM 0 HA GLN B 93 -3.788 -4.594 3.454 1.00 10.00 H new ATOM 0 HB2 GLN B 93 -1.581 -5.163 2.711 1.00 10.00 H new ATOM 0 HB3 GLN B 93 -1.337 -3.580 2.001 1.00 10.00 H new ATOM 0 HG2 GLN B 93 -0.108 -3.909 4.132 1.00 10.00 H new ATOM 0 HG3 GLN B 93 -1.188 -2.528 4.152 1.00 10.00 H new ATOM 0 HE21 GLN B 93 -1.857 -2.262 6.245 1.00 10.00 H new ATOM 0 HE22 GLN B 93 -2.423 -3.569 7.290 1.00 10.00 H new ATOM 1451 N ARG B 94 -3.922 -1.516 2.261 1.00 10.00 N ATOM 1452 CA ARG B 94 -4.547 -0.232 2.636 1.00 10.00 C ATOM 1453 C ARG B 94 -5.988 -0.481 3.096 1.00 10.00 C ATOM 1454 O ARG B 94 -6.433 0.112 4.078 1.00 10.00 O ATOM 1455 CB ARG B 94 -4.585 0.758 1.468 1.00 10.00 C ATOM 1456 CG ARG B 94 -3.248 1.379 1.051 1.00 10.00 C ATOM 1457 CD ARG B 94 -2.613 2.321 2.070 1.00 10.00 C ATOM 1458 NE ARG B 94 -3.486 3.446 2.441 1.00 10.00 N ATOM 1459 CZ ARG B 94 -3.337 4.196 3.527 1.00 10.00 C ATOM 1460 NH1 ARG B 94 -2.296 4.093 4.314 1.00 10.00 N ATOM 1461 NH2 ARG B 94 -4.204 5.105 3.852 1.00 10.00 N ATOM 0 H ARG B 94 -3.621 -1.575 1.288 1.00 10.00 H new ATOM 0 HA ARG B 94 -3.943 0.198 3.435 1.00 10.00 H new ATOM 0 HB2 ARG B 94 -5.008 0.248 0.603 1.00 10.00 H new ATOM 0 HB3 ARG B 94 -5.269 1.566 1.728 1.00 10.00 H new ATOM 0 HG2 ARG B 94 -2.544 0.574 0.839 1.00 10.00 H new ATOM 0 HG3 ARG B 94 -3.396 1.926 0.120 1.00 10.00 H new ATOM 0 HD2 ARG B 94 -2.357 1.757 2.967 1.00 10.00 H new ATOM 0 HD3 ARG B 94 -1.681 2.712 1.662 1.00 10.00 H new ATOM 0 HE ARG B 94 -4.263 3.666 1.818 1.00 10.00 H new ATOM 0 HH11 ARG B 94 -1.561 3.418 4.102 1.00 10.00 H new ATOM 0 HH12 ARG B 94 -2.219 4.688 5.139 1.00 10.00 H new ATOM 0 HH21 ARG B 94 -5.026 5.258 3.267 1.00 10.00 H new ATOM 0 HH22 ARG B 94 -4.064 5.666 4.692 1.00 10.00 H new ATOM 1475 N THR B 95 -6.723 -1.361 2.402 1.00 10.00 N ATOM 1476 CA THR B 95 -8.079 -1.769 2.802 1.00 10.00 C ATOM 1477 C THR B 95 -8.071 -2.422 4.182 1.00 10.00 C ATOM 1478 O THR B 95 -8.859 -2.040 5.047 1.00 10.00 O ATOM 1479 CB THR B 95 -8.774 -2.705 1.786 1.00 10.00 C ATOM 1480 OG1 THR B 95 -8.600 -2.349 0.430 1.00 10.00 O ATOM 1481 CG2 THR B 95 -10.284 -2.579 1.981 1.00 10.00 C ATOM 0 H THR B 95 -6.395 -1.811 1.547 1.00 10.00 H new ATOM 0 HA THR B 95 -8.661 -0.848 2.832 1.00 10.00 H new ATOM 0 HB THR B 95 -8.339 -3.688 1.969 1.00 10.00 H new ATOM 0 HG1 THR B 95 -7.691 -2.579 0.146 1.00 10.00 H new ATOM 0 HG21 THR B 95 -10.798 -3.231 1.274 1.00 10.00 H new ATOM 0 HG22 THR B 95 -10.545 -2.870 2.999 1.00 10.00 H new ATOM 0 HG23 THR B 95 -10.588 -1.546 1.809 1.00 10.00 H new ATOM 1489 N ALA B 96 -7.139 -3.353 4.429 1.00 10.00 N ATOM 1490 CA ALA B 96 -6.882 -3.947 5.742 1.00 10.00 C ATOM 1491 C ALA B 96 -6.577 -2.880 6.807 1.00 10.00 C ATOM 1492 O ALA B 96 -7.185 -2.868 7.875 1.00 10.00 O ATOM 1493 CB ALA B 96 -5.744 -4.967 5.627 1.00 10.00 C ATOM 0 H ALA B 96 -6.529 -3.721 3.700 1.00 10.00 H new ATOM 0 HA ALA B 96 -7.786 -4.459 6.072 1.00 10.00 H new ATOM 0 HB1 ALA B 96 -5.552 -5.410 6.604 1.00 10.00 H new ATOM 0 HB2 ALA B 96 -6.027 -5.750 4.923 1.00 10.00 H new ATOM 0 HB3 ALA B 96 -4.843 -4.468 5.271 1.00 10.00 H new ATOM 1499 N LYS B 97 -5.660 -1.940 6.513 1.00 10.00 N ATOM 1500 CA LYS B 97 -5.315 -0.779 7.351 1.00 10.00 C ATOM 1501 C LYS B 97 -6.550 0.033 7.728 1.00 10.00 C ATOM 1502 O LYS B 97 -6.671 0.411 8.892 1.00 10.00 O ATOM 1503 CB LYS B 97 -4.169 0.041 6.704 1.00 10.00 C ATOM 1504 CG LYS B 97 -4.456 1.484 6.260 1.00 10.00 C ATOM 1505 CD LYS B 97 -4.308 2.462 7.430 1.00 10.00 C ATOM 1506 CE LYS B 97 -5.100 3.745 7.172 1.00 10.00 C ATOM 1507 NZ LYS B 97 -5.093 4.620 8.359 1.00 10.00 N ATOM 0 H LYS B 97 -5.118 -1.971 5.650 1.00 10.00 H new ATOM 0 HA LYS B 97 -4.922 -1.131 8.305 1.00 10.00 H new ATOM 0 HB2 LYS B 97 -3.342 0.071 7.414 1.00 10.00 H new ATOM 0 HB3 LYS B 97 -3.820 -0.510 5.831 1.00 10.00 H new ATOM 0 HG2 LYS B 97 -3.772 1.764 5.459 1.00 10.00 H new ATOM 0 HG3 LYS B 97 -5.465 1.549 5.854 1.00 10.00 H new ATOM 0 HD2 LYS B 97 -4.659 1.992 8.349 1.00 10.00 H new ATOM 0 HD3 LYS B 97 -3.255 2.703 7.577 1.00 10.00 H new ATOM 0 HE2 LYS B 97 -4.671 4.276 6.322 1.00 10.00 H new ATOM 0 HE3 LYS B 97 -6.127 3.495 6.907 1.00 10.00 H new ATOM 0 HZ1 LYS B 97 -5.758 5.407 8.214 1.00 10.00 H new ATOM 0 HZ2 LYS B 97 -5.381 4.073 9.195 1.00 10.00 H new ATOM 0 HZ3 LYS B 97 -4.136 4.999 8.506 1.00 10.00 H new ATOM 1521 N TYR B 98 -7.474 0.277 6.795 1.00 10.00 N ATOM 1522 CA TYR B 98 -8.730 0.933 7.144 1.00 10.00 C ATOM 1523 C TYR B 98 -9.526 0.098 8.142 1.00 10.00 C ATOM 1524 O TYR B 98 -9.710 0.546 9.268 1.00 10.00 O ATOM 1525 CB TYR B 98 -9.542 1.265 5.890 1.00 10.00 C ATOM 1526 CG TYR B 98 -9.050 2.479 5.143 1.00 10.00 C ATOM 1527 CD1 TYR B 98 -9.035 3.721 5.792 1.00 10.00 C ATOM 1528 CD2 TYR B 98 -8.644 2.362 3.808 1.00 10.00 C ATOM 1529 CE1 TYR B 98 -8.613 4.857 5.088 1.00 10.00 C ATOM 1530 CE2 TYR B 98 -8.294 3.504 3.071 1.00 10.00 C ATOM 1531 CZ TYR B 98 -8.278 4.766 3.720 1.00 10.00 C ATOM 1532 OH TYR B 98 -7.948 5.898 3.060 1.00 10.00 O ATOM 0 H TYR B 98 -7.377 0.034 5.809 1.00 10.00 H new ATOM 0 HA TYR B 98 -8.498 1.878 7.634 1.00 10.00 H new ATOM 0 HB2 TYR B 98 -9.522 0.406 5.219 1.00 10.00 H new ATOM 0 HB3 TYR B 98 -10.582 1.423 6.175 1.00 10.00 H new ATOM 0 HD1 TYR B 98 -9.345 3.802 6.823 1.00 10.00 H new ATOM 0 HD2 TYR B 98 -8.600 1.388 3.343 1.00 10.00 H new ATOM 0 HE1 TYR B 98 -8.544 5.808 5.595 1.00 10.00 H new ATOM 0 HE2 TYR B 98 -8.040 3.423 2.024 1.00 10.00 H new ATOM 0 HH TYR B 98 -6.982 5.912 2.898 1.00 10.00 H new ATOM 1542 N VAL B 99 -9.929 -1.135 7.800 1.00 10.00 N ATOM 1543 CA VAL B 99 -10.779 -1.936 8.700 1.00 10.00 C ATOM 1544 C VAL B 99 -10.126 -2.201 10.070 1.00 10.00 C ATOM 1545 O VAL B 99 -10.832 -2.341 11.073 1.00 10.00 O ATOM 1546 CB VAL B 99 -11.289 -3.232 8.048 1.00 10.00 C ATOM 1547 CG1 VAL B 99 -12.060 -2.892 6.761 1.00 10.00 C ATOM 1548 CG2 VAL B 99 -10.181 -4.229 7.723 1.00 10.00 C ATOM 0 H VAL B 99 -9.686 -1.595 6.923 1.00 10.00 H new ATOM 0 HA VAL B 99 -11.656 -1.317 8.890 1.00 10.00 H new ATOM 0 HB VAL B 99 -11.940 -3.711 8.779 1.00 10.00 H new ATOM 0 HG11 VAL B 99 -12.421 -3.811 6.300 1.00 10.00 H new ATOM 0 HG12 VAL B 99 -12.907 -2.250 7.003 1.00 10.00 H new ATOM 0 HG13 VAL B 99 -11.399 -2.373 6.067 1.00 10.00 H new ATOM 0 HG21 VAL B 99 -10.614 -5.118 7.266 1.00 10.00 H new ATOM 0 HG22 VAL B 99 -9.473 -3.773 7.031 1.00 10.00 H new ATOM 0 HG23 VAL B 99 -9.663 -4.509 8.640 1.00 10.00 H new