USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 767 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 9 THR OG1 : rot 79:sc= 0.382 USER MOD Set 1.2: A 46 HIS : no HD1:sc= 0.44 K(o=0.82,f=-2.3) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.211 K(o=-0.21,f=-0.92) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -21:sc= -2.23! USER MOD Single : A 34 GLN : amide:sc= -0.112 K(o=-0.11,f=-0.62) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 45 LYS NZ :NH3+ -153:sc= 0.951 (180deg=0.438) USER MOD Single : A 48 GLN : amide:sc= -0.0845 X(o=-0.085,f=0.029) USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= -0.0341 (180deg=-0.269) USER MOD Single : A 64 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.29) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 70 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.15) USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -133:sc= 1.27 (180deg=0.439) USER MOD Single : A 84 LYS NZ :NH3+ -162:sc= -0.0516 (180deg=-0.335) USER MOD Single : A 86 SER OG : rot 62:sc= 1.08 USER MOD Single : A 89 GLN : amide:sc= 1.07 K(o=1.1,f=-0.25) USER MOD Single : A 96 GLN : amide:sc= -0.267 K(o=-0.27,f=-0.96) USER MOD Single : A 99 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.6) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 -3.936 -4.914 -7.746 1.00 0.00 N ATOM 65 CA LYS A 5 -4.288 -3.885 -8.719 1.00 0.00 C ATOM 66 C LYS A 5 -3.962 -4.379 -10.121 1.00 0.00 C ATOM 67 O LYS A 5 -4.712 -4.147 -11.070 1.00 0.00 O ATOM 68 CB LYS A 5 -3.524 -2.587 -8.442 1.00 0.00 C ATOM 69 CG LYS A 5 -3.740 -2.017 -7.049 1.00 0.00 C ATOM 70 CD LYS A 5 -3.073 -0.654 -6.893 1.00 0.00 C ATOM 71 CE LYS A 5 -1.560 -0.733 -7.082 1.00 0.00 C ATOM 72 NZ LYS A 5 -0.920 0.602 -6.979 1.00 0.00 N1+ ATOM 0 HA LYS A 5 -5.356 -3.681 -8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.459 -2.769 -8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.822 -1.840 -9.178 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.808 -1.925 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.339 -2.707 -6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.493 0.041 -7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.294 -0.253 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.134 -1.399 -6.331 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.338 -1.168 -8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.107 0.506 -7.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.307 1.230 -7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.110 1.007 -6.040 1.00 0.00 H new ATOM 86 N LEU A 6 -2.811 -5.027 -10.238 1.00 0.00 N ATOM 87 CA LEU A 6 -2.381 -5.623 -11.501 1.00 0.00 C ATOM 88 C LEU A 6 -3.480 -6.523 -12.082 1.00 0.00 C ATOM 89 O LEU A 6 -3.880 -6.345 -13.230 1.00 0.00 O ATOM 90 CB LEU A 6 -1.052 -6.393 -11.320 1.00 0.00 C ATOM 91 CG LEU A 6 -0.373 -6.915 -12.604 1.00 0.00 C ATOM 92 CD1 LEU A 6 1.121 -7.072 -12.380 1.00 0.00 C ATOM 93 CD2 LEU A 6 -0.970 -8.252 -13.036 1.00 0.00 C ATOM 0 H LEU A 6 -2.153 -5.155 -9.470 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.202 -4.820 -12.216 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.348 -5.740 -10.804 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.238 -7.243 -10.664 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.547 -6.186 -13.396 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.589 -7.441 -13.293 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.553 -6.107 -12.115 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.295 -7.781 -11.571 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.473 -8.596 -13.943 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.828 -8.987 -12.243 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.035 -8.129 -13.230 1.00 0.00 H new ATOM 105 N ARG A 7 -3.968 -7.484 -11.300 1.00 0.00 N ATOM 106 CA ARG A 7 -5.055 -8.345 -11.777 1.00 0.00 C ATOM 107 C ARG A 7 -6.345 -7.542 -12.016 1.00 0.00 C ATOM 108 O ARG A 7 -7.060 -7.778 -12.985 1.00 0.00 O ATOM 109 CB ARG A 7 -5.319 -9.523 -10.822 1.00 0.00 C ATOM 110 CG ARG A 7 -6.051 -9.156 -9.548 1.00 0.00 C ATOM 111 CD ARG A 7 -6.469 -10.393 -8.787 1.00 0.00 C ATOM 112 NE ARG A 7 -7.277 -10.063 -7.613 1.00 0.00 N ATOM 113 CZ ARG A 7 -8.043 -10.936 -6.955 1.00 0.00 C ATOM 114 NH1 ARG A 7 -8.118 -12.197 -7.355 1.00 0.00 N1+ ATOM 115 NH2 ARG A 7 -8.745 -10.538 -5.905 1.00 0.00 N ATOM 0 H ARG A 7 -3.640 -7.686 -10.356 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.730 -8.760 -12.731 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.898 -10.279 -11.352 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.365 -9.979 -10.558 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.408 -8.539 -8.920 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.930 -8.559 -9.789 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.037 -11.050 -9.446 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.582 -10.944 -8.474 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.253 -9.101 -7.274 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.588 -12.506 -8.170 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.705 -12.859 -6.848 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.700 -9.566 -5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.331 -11.204 -5.401 1.00 0.00 H new ATOM 129 N GLN A 8 -6.612 -6.591 -11.129 1.00 0.00 N ATOM 130 CA GLN A 8 -7.811 -5.758 -11.239 1.00 0.00 C ATOM 131 C GLN A 8 -7.828 -4.978 -12.557 1.00 0.00 C ATOM 132 O GLN A 8 -8.847 -4.946 -13.244 1.00 0.00 O ATOM 133 CB GLN A 8 -7.913 -4.798 -10.052 1.00 0.00 C ATOM 134 CG GLN A 8 -9.148 -3.912 -10.085 1.00 0.00 C ATOM 135 CD GLN A 8 -9.215 -2.942 -8.921 1.00 0.00 C ATOM 136 OE1 GLN A 8 -8.694 -3.343 -7.778 1.00 0.00 O flip ATOM 137 NE2 GLN A 8 -9.752 -1.842 -9.051 1.00 0.00 N flip ATOM 0 H GLN A 8 -6.019 -6.375 -10.327 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.676 -6.421 -11.228 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.917 -5.376 -9.128 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.025 -4.167 -10.030 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.160 -3.351 -11.019 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.039 -4.540 -10.079 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.143 -1.569 -9.952 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.806 -1.204 -8.257 1.00 0.00 H new ATOM 146 N THR A 9 -6.704 -4.367 -12.919 1.00 0.00 N ATOM 147 CA THR A 9 -6.604 -3.661 -14.194 1.00 0.00 C ATOM 148 C THR A 9 -6.707 -4.630 -15.374 1.00 0.00 C ATOM 149 O THR A 9 -7.087 -4.245 -16.478 1.00 0.00 O ATOM 150 CB THR A 9 -5.295 -2.848 -14.296 1.00 0.00 C ATOM 151 OG1 THR A 9 -4.181 -3.666 -13.907 1.00 0.00 O ATOM 152 CG2 THR A 9 -5.354 -1.610 -13.410 1.00 0.00 C ATOM 0 H THR A 9 -5.855 -4.346 -12.353 1.00 0.00 H new ATOM 0 HA THR A 9 -7.443 -2.966 -14.236 1.00 0.00 H new ATOM 0 HB THR A 9 -5.171 -2.529 -15.331 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.941 -4.264 -14.645 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.421 -1.054 -13.499 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.185 -0.977 -13.723 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.499 -1.912 -12.373 1.00 0.00 H new ATOM 160 N GLY A 10 -6.374 -5.891 -15.125 1.00 0.00 N ATOM 161 CA GLY A 10 -6.488 -6.901 -16.153 1.00 0.00 C ATOM 162 C GLY A 10 -7.935 -7.232 -16.410 1.00 0.00 C ATOM 163 O GLY A 10 -8.401 -7.181 -17.545 1.00 0.00 O ATOM 0 H GLY A 10 -6.027 -6.230 -14.228 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.021 -6.547 -17.072 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.952 -7.800 -15.849 1.00 0.00 H new ATOM 167 N ASP A 11 -8.646 -7.565 -15.339 1.00 0.00 N ATOM 168 CA ASP A 11 -10.079 -7.838 -15.412 1.00 0.00 C ATOM 169 C ASP A 11 -10.834 -6.629 -15.939 1.00 0.00 C ATOM 170 O ASP A 11 -11.830 -6.766 -16.651 1.00 0.00 O ATOM 171 CB ASP A 11 -10.625 -8.251 -14.043 1.00 0.00 C ATOM 172 CG ASP A 11 -10.339 -9.701 -13.724 1.00 0.00 C ATOM 173 OD1 ASP A 11 -10.703 -10.575 -14.542 1.00 0.00 O ATOM 174 OD2 ASP A 11 -9.760 -9.980 -12.651 1.00 0.00 O1- ATOM 0 H ASP A 11 -8.251 -7.653 -14.403 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.227 -8.665 -16.106 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.184 -7.618 -13.273 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.701 -8.081 -14.017 1.00 0.00 H new ATOM 179 N GLU A 12 -10.341 -5.443 -15.595 1.00 0.00 N ATOM 180 CA GLU A 12 -10.908 -4.200 -16.059 1.00 0.00 C ATOM 181 C GLU A 12 -10.808 -4.132 -17.581 1.00 0.00 C ATOM 182 O GLU A 12 -11.775 -3.800 -18.272 1.00 0.00 O ATOM 183 CB GLU A 12 -10.132 -3.047 -15.437 1.00 0.00 C ATOM 184 CG GLU A 12 -10.693 -1.684 -15.735 1.00 0.00 C ATOM 185 CD GLU A 12 -11.973 -1.406 -14.994 1.00 0.00 C ATOM 186 OE1 GLU A 12 -13.057 -1.639 -15.555 1.00 0.00 O ATOM 187 OE2 GLU A 12 -11.896 -0.953 -13.833 1.00 0.00 O1- ATOM 0 H GLU A 12 -9.533 -5.326 -14.983 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.957 -4.135 -15.770 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.104 -3.186 -14.356 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.102 -3.087 -15.790 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.954 -0.927 -15.472 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.872 -1.596 -16.807 1.00 0.00 H new ATOM 194 N LEU A 13 -9.627 -4.470 -18.092 1.00 0.00 N ATOM 195 CA LEU A 13 -9.374 -4.493 -19.523 1.00 0.00 C ATOM 196 C LEU A 13 -10.295 -5.495 -20.215 1.00 0.00 C ATOM 197 O LEU A 13 -10.827 -5.219 -21.289 1.00 0.00 O ATOM 198 CB LEU A 13 -7.904 -4.855 -19.779 1.00 0.00 C ATOM 199 CG LEU A 13 -7.460 -4.894 -21.242 1.00 0.00 C ATOM 200 CD1 LEU A 13 -7.616 -3.530 -21.885 1.00 0.00 C ATOM 201 CD2 LEU A 13 -6.019 -5.370 -21.344 1.00 0.00 C ATOM 0 H LEU A 13 -8.822 -4.735 -17.524 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.577 -3.504 -19.934 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.278 -4.136 -19.251 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.710 -5.832 -19.337 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.097 -5.598 -21.777 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.295 -3.579 -22.925 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.662 -3.225 -21.842 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.004 -2.804 -21.350 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.717 -5.393 -22.391 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.371 -4.688 -20.794 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.936 -6.371 -20.920 1.00 0.00 H new ATOM 213 N VAL A 14 -10.488 -6.650 -19.591 1.00 0.00 N ATOM 214 CA VAL A 14 -11.376 -7.669 -20.135 1.00 0.00 C ATOM 215 C VAL A 14 -12.810 -7.152 -20.192 1.00 0.00 C ATOM 216 O VAL A 14 -13.483 -7.283 -21.208 1.00 0.00 O ATOM 217 CB VAL A 14 -11.341 -8.969 -19.296 1.00 0.00 C ATOM 218 CG1 VAL A 14 -12.297 -10.006 -19.870 1.00 0.00 C ATOM 219 CG2 VAL A 14 -9.929 -9.527 -19.229 1.00 0.00 C ATOM 0 H VAL A 14 -10.042 -6.904 -18.709 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.023 -7.896 -21.141 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.664 -8.728 -18.283 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.257 -10.912 -19.265 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.312 -9.609 -19.862 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.007 -10.240 -20.894 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.927 -10.441 -18.635 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.577 -9.749 -20.237 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.269 -8.792 -18.768 1.00 0.00 H new ATOM 229 N GLN A 15 -13.258 -6.559 -19.096 1.00 0.00 N ATOM 230 CA GLN A 15 -14.588 -6.014 -19.001 1.00 0.00 C ATOM 231 C GLN A 15 -14.831 -4.968 -20.101 1.00 0.00 C ATOM 232 O GLN A 15 -15.872 -4.982 -20.767 1.00 0.00 O ATOM 233 CB GLN A 15 -14.769 -5.394 -17.629 1.00 0.00 C ATOM 234 CG GLN A 15 -16.202 -5.182 -17.249 1.00 0.00 C ATOM 235 CD GLN A 15 -16.979 -6.482 -17.159 1.00 0.00 C ATOM 236 OE1 GLN A 15 -16.421 -7.531 -16.835 1.00 0.00 O ATOM 237 NE2 GLN A 15 -18.263 -6.422 -17.445 1.00 0.00 N ATOM 0 H GLN A 15 -12.701 -6.446 -18.249 1.00 0.00 H new ATOM 0 HA GLN A 15 -15.315 -6.814 -19.140 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.296 -6.035 -16.885 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -14.249 -4.436 -17.601 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -16.247 -4.668 -16.289 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -16.676 -4.529 -17.982 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -18.686 -5.532 -17.709 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -18.835 -7.266 -17.402 1.00 0.00 H new ATOM 246 N ALA A 16 -13.857 -4.088 -20.297 1.00 0.00 N ATOM 247 CA ALA A 16 -13.928 -3.067 -21.344 1.00 0.00 C ATOM 248 C ALA A 16 -13.938 -3.716 -22.726 1.00 0.00 C ATOM 249 O ALA A 16 -14.605 -3.242 -23.642 1.00 0.00 O ATOM 250 CB ALA A 16 -12.761 -2.102 -21.222 1.00 0.00 C ATOM 0 H ALA A 16 -13.002 -4.058 -19.742 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.856 -2.509 -21.218 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.828 -1.349 -22.007 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.793 -1.614 -20.248 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.824 -2.650 -21.323 1.00 0.00 H new ATOM 256 N PHE A 17 -13.203 -4.809 -22.855 1.00 0.00 N ATOM 257 CA PHE A 17 -13.121 -5.538 -24.113 1.00 0.00 C ATOM 258 C PHE A 17 -14.456 -6.219 -24.416 1.00 0.00 C ATOM 259 O PHE A 17 -14.909 -6.244 -25.560 1.00 0.00 O ATOM 260 CB PHE A 17 -11.990 -6.566 -24.083 1.00 0.00 C ATOM 261 CG PHE A 17 -11.787 -7.263 -25.399 1.00 0.00 C ATOM 262 CD1 PHE A 17 -11.028 -6.676 -26.396 1.00 0.00 C ATOM 263 CD2 PHE A 17 -12.360 -8.500 -25.640 1.00 0.00 C ATOM 264 CE1 PHE A 17 -10.846 -7.309 -27.609 1.00 0.00 C ATOM 265 CE2 PHE A 17 -12.181 -9.137 -26.848 1.00 0.00 C ATOM 266 CZ PHE A 17 -11.422 -8.541 -27.834 1.00 0.00 C ATOM 0 H PHE A 17 -12.651 -5.214 -22.099 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.902 -4.823 -24.906 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.063 -6.069 -23.796 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.204 -7.309 -23.315 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.573 -5.712 -26.223 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.955 -8.971 -24.871 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.253 -6.840 -28.380 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.634 -10.102 -27.023 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.279 -9.039 -28.781 1.00 0.00 H new ATOM 276 N GLN A 18 -15.086 -6.761 -23.381 1.00 0.00 N ATOM 277 CA GLN A 18 -16.384 -7.403 -23.526 1.00 0.00 C ATOM 278 C GLN A 18 -17.420 -6.364 -23.927 1.00 0.00 C ATOM 279 O GLN A 18 -18.354 -6.647 -24.679 1.00 0.00 O ATOM 280 CB GLN A 18 -16.793 -8.088 -22.221 1.00 0.00 C ATOM 281 CG GLN A 18 -15.848 -9.197 -21.789 1.00 0.00 C ATOM 282 CD GLN A 18 -16.212 -9.790 -20.444 1.00 0.00 C ATOM 283 OE1 GLN A 18 -16.764 -9.112 -19.578 1.00 0.00 O ATOM 284 NE2 GLN A 18 -15.892 -11.049 -20.255 1.00 0.00 N ATOM 0 H GLN A 18 -14.717 -6.768 -22.430 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.320 -8.165 -24.303 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.846 -7.340 -21.430 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -17.795 -8.501 -22.337 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.853 -9.986 -22.542 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.832 -8.805 -21.745 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.435 -11.576 -20.999 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.100 -11.500 -19.364 1.00 0.00 H new ATOM 293 N ARG A 19 -17.240 -5.158 -23.412 1.00 0.00 N ATOM 294 CA ARG A 19 -18.094 -4.034 -23.752 1.00 0.00 C ATOM 295 C ARG A 19 -17.840 -3.628 -25.200 1.00 0.00 C ATOM 296 O ARG A 19 -18.757 -3.243 -25.928 1.00 0.00 O ATOM 297 CB ARG A 19 -17.806 -2.854 -22.816 1.00 0.00 C ATOM 298 CG ARG A 19 -18.716 -1.661 -23.029 1.00 0.00 C ATOM 299 CD ARG A 19 -20.151 -1.992 -22.666 1.00 0.00 C ATOM 300 NE ARG A 19 -21.065 -0.899 -22.977 1.00 0.00 N ATOM 301 CZ ARG A 19 -22.207 -1.051 -23.649 1.00 0.00 C ATOM 302 NH1 ARG A 19 -22.580 -2.254 -24.074 1.00 0.00 N1+ ATOM 303 NH2 ARG A 19 -22.978 0.001 -23.889 1.00 0.00 N ATOM 0 H ARG A 19 -16.499 -4.932 -22.748 1.00 0.00 H new ATOM 0 HA ARG A 19 -19.138 -4.324 -23.636 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -17.901 -3.191 -21.784 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -16.772 -2.538 -22.954 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -18.369 -0.824 -22.424 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -18.666 -1.344 -24.071 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -20.462 -2.888 -23.204 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -20.211 -2.222 -21.602 1.00 0.00 H new ATOM 0 HE ARG A 19 -20.816 0.038 -22.662 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -21.992 -3.066 -23.887 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -23.454 -2.365 -24.587 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -22.697 0.925 -23.560 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -23.852 -0.114 -24.403 1.00 0.00 H new ATOM 317 N LEU A 20 -16.579 -3.744 -25.605 1.00 0.00 N ATOM 318 CA LEU A 20 -16.146 -3.408 -26.955 1.00 0.00 C ATOM 319 C LEU A 20 -16.846 -4.290 -27.971 1.00 0.00 C ATOM 320 O LEU A 20 -17.178 -3.842 -29.058 1.00 0.00 O ATOM 321 CB LEU A 20 -14.629 -3.569 -27.091 1.00 0.00 C ATOM 322 CG LEU A 20 -14.041 -3.245 -28.468 1.00 0.00 C ATOM 323 CD1 LEU A 20 -14.129 -1.756 -28.755 1.00 0.00 C ATOM 324 CD2 LEU A 20 -12.603 -3.730 -28.567 1.00 0.00 C ATOM 0 H LEU A 20 -15.826 -4.075 -25.002 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.409 -2.367 -27.145 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.148 -2.928 -26.352 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.368 -4.597 -26.839 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.629 -3.770 -29.221 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.706 -1.549 -29.738 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.173 -1.443 -28.736 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.572 -1.206 -27.997 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.205 -3.490 -29.553 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.000 -3.239 -27.803 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.572 -4.809 -28.416 1.00 0.00 H new ATOM 336 N ARG A 21 -17.070 -5.547 -27.605 1.00 0.00 N ATOM 337 CA ARG A 21 -17.722 -6.495 -28.496 1.00 0.00 C ATOM 338 C ARG A 21 -19.123 -6.011 -28.846 1.00 0.00 C ATOM 339 O ARG A 21 -19.506 -5.979 -30.011 1.00 0.00 O ATOM 340 CB ARG A 21 -17.814 -7.876 -27.839 1.00 0.00 C ATOM 341 CG ARG A 21 -18.327 -8.958 -28.774 1.00 0.00 C ATOM 342 CD ARG A 21 -17.256 -9.369 -29.762 1.00 0.00 C ATOM 343 NE ARG A 21 -17.789 -10.150 -30.877 1.00 0.00 N ATOM 344 CZ ARG A 21 -17.222 -11.271 -31.344 1.00 0.00 C ATOM 345 NH1 ARG A 21 -16.217 -11.843 -30.679 1.00 0.00 N1+ ATOM 346 NH2 ARG A 21 -17.684 -11.843 -32.450 1.00 0.00 N ATOM 0 H ARG A 21 -16.809 -5.932 -26.697 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.126 -6.571 -29.405 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.828 -8.161 -27.472 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -18.472 -7.814 -26.972 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.645 -9.825 -28.194 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -19.203 -8.595 -29.311 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.764 -8.477 -30.150 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.495 -9.953 -29.245 1.00 0.00 H new ATOM 0 HE ARG A 21 -18.644 -9.822 -31.327 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.877 -11.427 -29.812 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -15.788 -12.696 -31.038 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -18.473 -11.429 -32.947 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.250 -12.696 -32.803 1.00 0.00 H new ATOM 360 N GLU A 22 -19.863 -5.599 -27.827 1.00 0.00 N ATOM 361 CA GLU A 22 -21.227 -5.124 -28.012 1.00 0.00 C ATOM 362 C GLU A 22 -21.230 -3.888 -28.900 1.00 0.00 C ATOM 363 O GLU A 22 -21.955 -3.823 -29.894 1.00 0.00 O ATOM 364 CB GLU A 22 -21.845 -4.789 -26.654 1.00 0.00 C ATOM 365 CG GLU A 22 -21.743 -5.918 -25.642 1.00 0.00 C ATOM 366 CD GLU A 22 -22.222 -5.514 -24.268 1.00 0.00 C ATOM 367 OE1 GLU A 22 -23.307 -5.960 -23.858 1.00 0.00 O ATOM 368 OE2 GLU A 22 -21.508 -4.753 -23.585 1.00 0.00 O1- ATOM 0 H GLU A 22 -19.540 -5.584 -26.860 1.00 0.00 H new ATOM 0 HA GLU A 22 -21.816 -5.906 -28.491 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -21.353 -3.904 -26.249 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -22.895 -4.533 -26.796 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -22.329 -6.768 -25.991 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -20.707 -6.251 -25.578 1.00 0.00 H new ATOM 375 N ILE A 23 -20.413 -2.916 -28.526 1.00 0.00 N ATOM 376 CA ILE A 23 -20.238 -1.686 -29.291 1.00 0.00 C ATOM 377 C ILE A 23 -19.811 -1.962 -30.747 1.00 0.00 C ATOM 378 O ILE A 23 -20.285 -1.302 -31.681 1.00 0.00 O ATOM 379 CB ILE A 23 -19.174 -0.792 -28.603 1.00 0.00 C ATOM 380 CG1 ILE A 23 -19.605 -0.441 -27.168 1.00 0.00 C ATOM 381 CG2 ILE A 23 -18.912 0.464 -29.403 1.00 0.00 C ATOM 382 CD1 ILE A 23 -20.912 0.321 -27.078 1.00 0.00 C ATOM 0 H ILE A 23 -19.848 -2.956 -27.678 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.201 -1.177 -29.318 1.00 0.00 H new ATOM 0 HB ILE A 23 -18.244 -1.358 -28.556 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -19.695 -1.362 -26.592 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -18.819 0.152 -26.700 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.162 1.069 -28.894 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -18.549 0.195 -30.395 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.836 1.035 -29.497 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -21.141 0.528 -26.033 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -20.823 1.261 -27.623 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -21.712 -0.277 -27.514 1.00 0.00 H new ATOM 394 N PHE A 24 -18.945 -2.948 -30.934 1.00 0.00 N ATOM 395 CA PHE A 24 -18.450 -3.280 -32.264 1.00 0.00 C ATOM 396 C PHE A 24 -19.553 -3.895 -33.108 1.00 0.00 C ATOM 397 O PHE A 24 -19.764 -3.499 -34.256 1.00 0.00 O ATOM 398 CB PHE A 24 -17.254 -4.229 -32.198 1.00 0.00 C ATOM 399 CG PHE A 24 -16.695 -4.565 -33.554 1.00 0.00 C ATOM 400 CD1 PHE A 24 -15.785 -3.724 -34.165 1.00 0.00 C ATOM 401 CD2 PHE A 24 -17.091 -5.716 -34.219 1.00 0.00 C ATOM 402 CE1 PHE A 24 -15.278 -4.022 -35.411 1.00 0.00 C ATOM 403 CE2 PHE A 24 -16.586 -6.020 -35.466 1.00 0.00 C ATOM 404 CZ PHE A 24 -15.680 -5.173 -36.063 1.00 0.00 C ATOM 0 H PHE A 24 -18.571 -3.531 -30.185 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.120 -2.351 -32.730 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -16.471 -3.776 -31.590 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -17.554 -5.149 -31.697 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.468 -2.823 -33.661 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -17.803 -6.382 -33.755 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -14.567 -3.357 -35.878 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -16.901 -6.920 -35.973 1.00 0.00 H new ATOM 0 HZ PHE A 24 -15.284 -5.407 -37.040 1.00 0.00 H new ATOM 414 N ASP A 25 -20.256 -4.867 -32.533 1.00 0.00 N ATOM 415 CA ASP A 25 -21.354 -5.534 -33.227 1.00 0.00 C ATOM 416 C ASP A 25 -22.475 -4.556 -33.570 1.00 0.00 C ATOM 417 O ASP A 25 -23.265 -4.807 -34.471 1.00 0.00 O ATOM 418 CB ASP A 25 -21.898 -6.720 -32.413 1.00 0.00 C ATOM 419 CG ASP A 25 -21.004 -7.960 -32.476 1.00 0.00 C ATOM 420 OD1 ASP A 25 -20.313 -8.261 -31.481 1.00 0.00 O ATOM 421 OD2 ASP A 25 -21.002 -8.646 -33.523 1.00 0.00 O1- ATOM 0 H ASP A 25 -20.085 -5.210 -31.588 1.00 0.00 H new ATOM 0 HA ASP A 25 -20.951 -5.925 -34.161 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -22.012 -6.416 -31.373 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -22.891 -6.978 -32.780 1.00 0.00 H new ATOM 426 N LYS A 26 -22.531 -3.432 -32.859 1.00 0.00 N ATOM 427 CA LYS A 26 -23.517 -2.393 -33.150 1.00 0.00 C ATOM 428 C LYS A 26 -23.069 -1.521 -34.323 1.00 0.00 C ATOM 429 O LYS A 26 -23.821 -0.656 -34.784 1.00 0.00 O ATOM 430 CB LYS A 26 -23.756 -1.495 -31.938 1.00 0.00 C ATOM 431 CG LYS A 26 -24.575 -2.123 -30.821 1.00 0.00 C ATOM 432 CD LYS A 26 -24.820 -1.120 -29.694 1.00 0.00 C ATOM 433 CE LYS A 26 -25.532 0.133 -30.206 1.00 0.00 C ATOM 434 NZ LYS A 26 -25.680 1.164 -29.152 1.00 0.00 N1+ ATOM 0 H LYS A 26 -21.908 -3.218 -32.080 1.00 0.00 H new ATOM 0 HA LYS A 26 -24.444 -2.905 -33.408 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -22.790 -1.193 -31.533 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -24.260 -0.588 -32.271 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -25.529 -2.472 -31.216 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -24.054 -2.996 -30.429 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -25.420 -1.587 -28.913 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -23.869 -0.840 -29.241 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -24.972 0.550 -31.043 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -26.517 -0.140 -30.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -26.168 1.994 -29.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -26.236 0.777 -28.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -24.740 1.446 -28.807 1.00 0.00 H new ATOM 448 N GLY A 27 -21.851 -1.763 -34.813 1.00 0.00 N ATOM 449 CA GLY A 27 -21.291 -0.963 -35.895 1.00 0.00 C ATOM 450 C GLY A 27 -21.235 0.524 -35.591 1.00 0.00 C ATOM 451 O GLY A 27 -21.260 1.342 -36.505 1.00 0.00 O ATOM 0 H GLY A 27 -21.238 -2.505 -34.476 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.284 -1.318 -36.113 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.886 -1.118 -36.795 1.00 0.00 H new ATOM 455 N ASP A 28 -21.167 0.884 -34.320 1.00 0.00 N ATOM 456 CA ASP A 28 -21.152 2.290 -33.947 1.00 0.00 C ATOM 457 C ASP A 28 -19.720 2.791 -33.801 1.00 0.00 C ATOM 458 O ASP A 28 -19.141 2.766 -32.715 1.00 0.00 O ATOM 459 CB ASP A 28 -21.951 2.518 -32.672 1.00 0.00 C ATOM 460 CG ASP A 28 -22.255 3.983 -32.437 1.00 0.00 C ATOM 461 OD1 ASP A 28 -21.317 4.784 -32.320 1.00 0.00 O ATOM 462 OD2 ASP A 28 -23.454 4.337 -32.366 1.00 0.00 O1- ATOM 0 H ASP A 28 -21.122 0.232 -33.537 1.00 0.00 H new ATOM 0 HA ASP A 28 -21.627 2.864 -34.743 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -22.886 1.960 -32.727 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -21.394 2.124 -31.822 1.00 0.00 H new ATOM 467 N ASP A 29 -19.150 3.213 -34.925 1.00 0.00 N ATOM 468 CA ASP A 29 -17.761 3.701 -34.990 1.00 0.00 C ATOM 469 C ASP A 29 -17.524 4.886 -34.067 1.00 0.00 C ATOM 470 O ASP A 29 -16.422 5.071 -33.550 1.00 0.00 O ATOM 471 CB ASP A 29 -17.394 4.102 -36.424 1.00 0.00 C ATOM 472 CG ASP A 29 -17.537 2.968 -37.413 1.00 0.00 C ATOM 473 OD1 ASP A 29 -18.461 3.028 -38.257 1.00 0.00 O ATOM 474 OD2 ASP A 29 -16.739 2.018 -37.357 1.00 0.00 O1- ATOM 0 H ASP A 29 -19.633 3.230 -35.823 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.126 2.878 -34.661 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -18.029 4.931 -36.737 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -16.366 4.464 -36.442 1.00 0.00 H new ATOM 479 N ASP A 30 -18.561 5.670 -33.840 1.00 0.00 N ATOM 480 CA ASP A 30 -18.439 6.863 -33.015 1.00 0.00 C ATOM 481 C ASP A 30 -18.254 6.469 -31.561 1.00 0.00 C ATOM 482 O ASP A 30 -17.431 7.041 -30.845 1.00 0.00 O ATOM 483 CB ASP A 30 -19.667 7.769 -33.166 1.00 0.00 C ATOM 484 CG ASP A 30 -19.829 8.316 -34.571 1.00 0.00 C ATOM 485 OD1 ASP A 30 -19.020 9.177 -34.980 1.00 0.00 O ATOM 486 OD2 ASP A 30 -20.774 7.896 -35.270 1.00 0.00 O1- ATOM 0 H ASP A 30 -19.496 5.505 -34.213 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.566 7.422 -33.350 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.561 7.208 -32.895 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -19.587 8.600 -32.465 1.00 0.00 H new ATOM 491 N SER A 31 -19.021 5.485 -31.137 1.00 0.00 N ATOM 492 CA SER A 31 -18.953 4.973 -29.785 1.00 0.00 C ATOM 493 C SER A 31 -17.673 4.141 -29.585 1.00 0.00 C ATOM 494 O SER A 31 -17.100 4.103 -28.489 1.00 0.00 O ATOM 495 CB SER A 31 -20.209 4.145 -29.486 1.00 0.00 C ATOM 496 OG SER A 31 -20.252 2.972 -30.261 1.00 0.00 O ATOM 0 H SER A 31 -19.712 5.017 -31.724 1.00 0.00 H new ATOM 0 HA SER A 31 -18.913 5.808 -29.085 1.00 0.00 H new ATOM 0 HB2 SER A 31 -20.230 3.884 -28.428 1.00 0.00 H new ATOM 0 HB3 SER A 31 -21.097 4.745 -29.684 1.00 0.00 H new ATOM 0 HG SER A 31 -19.683 3.081 -31.052 1.00 0.00 H new ATOM 502 N LEU A 32 -17.221 3.503 -30.671 1.00 0.00 N ATOM 503 CA LEU A 32 -16.019 2.664 -30.645 1.00 0.00 C ATOM 504 C LEU A 32 -14.804 3.480 -30.270 1.00 0.00 C ATOM 505 O LEU A 32 -13.987 3.044 -29.472 1.00 0.00 O ATOM 506 CB LEU A 32 -15.771 2.000 -32.012 1.00 0.00 C ATOM 507 CG LEU A 32 -16.552 0.719 -32.301 1.00 0.00 C ATOM 508 CD1 LEU A 32 -16.339 0.276 -33.740 1.00 0.00 C ATOM 509 CD2 LEU A 32 -16.130 -0.385 -31.348 1.00 0.00 C ATOM 0 H LEU A 32 -17.674 3.553 -31.584 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.184 1.889 -29.897 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.006 2.725 -32.791 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.707 1.777 -32.095 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.612 0.924 -32.153 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.903 -0.638 -33.927 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.682 1.059 -34.416 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.279 0.089 -33.910 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.696 -1.291 -31.567 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.065 -0.584 -31.470 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.326 -0.074 -30.322 1.00 0.00 H new ATOM 521 N GLU A 33 -14.727 4.686 -30.805 1.00 0.00 N ATOM 522 CA GLU A 33 -13.576 5.551 -30.589 1.00 0.00 C ATOM 523 C GLU A 33 -13.394 5.846 -29.096 1.00 0.00 C ATOM 524 O GLU A 33 -12.282 5.800 -28.576 1.00 0.00 O ATOM 525 CB GLU A 33 -13.740 6.854 -31.383 1.00 0.00 C ATOM 526 CG GLU A 33 -12.525 7.773 -31.344 1.00 0.00 C ATOM 527 CD GLU A 33 -11.279 7.139 -31.939 1.00 0.00 C ATOM 528 OE1 GLU A 33 -11.193 7.033 -33.175 1.00 0.00 O ATOM 529 OE2 GLU A 33 -10.368 6.764 -31.169 1.00 0.00 O1- ATOM 0 H GLU A 33 -15.452 5.092 -31.396 1.00 0.00 H new ATOM 0 HA GLU A 33 -12.682 5.037 -30.943 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.960 6.607 -32.422 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.602 7.396 -30.995 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.753 8.690 -31.887 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.324 8.056 -30.311 1.00 0.00 H new ATOM 536 N GLN A 34 -14.501 6.093 -28.405 1.00 0.00 N ATOM 537 CA GLN A 34 -14.463 6.424 -26.986 1.00 0.00 C ATOM 538 C GLN A 34 -14.071 5.207 -26.145 1.00 0.00 C ATOM 539 O GLN A 34 -13.291 5.319 -25.200 1.00 0.00 O ATOM 540 CB GLN A 34 -15.816 6.979 -26.528 1.00 0.00 C ATOM 541 CG GLN A 34 -15.820 7.506 -25.097 1.00 0.00 C ATOM 542 CD GLN A 34 -14.837 8.650 -24.885 1.00 0.00 C ATOM 543 OE1 GLN A 34 -14.550 9.422 -25.803 1.00 0.00 O ATOM 544 NE2 GLN A 34 -14.320 8.764 -23.679 1.00 0.00 N ATOM 0 H GLN A 34 -15.438 6.070 -28.806 1.00 0.00 H new ATOM 0 HA GLN A 34 -13.703 7.192 -26.840 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -16.113 7.783 -27.201 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -16.568 6.195 -26.617 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -16.824 7.845 -24.842 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.575 6.692 -24.415 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.583 8.105 -22.947 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.656 9.512 -23.477 1.00 0.00 H new ATOM 553 N VAL A 35 -14.606 4.043 -26.500 1.00 0.00 N ATOM 554 CA VAL A 35 -14.306 2.812 -25.774 1.00 0.00 C ATOM 555 C VAL A 35 -12.859 2.387 -26.010 1.00 0.00 C ATOM 556 O VAL A 35 -12.178 1.921 -25.096 1.00 0.00 O ATOM 557 CB VAL A 35 -15.276 1.665 -26.176 1.00 0.00 C ATOM 558 CG1 VAL A 35 -14.797 0.322 -25.644 1.00 0.00 C ATOM 559 CG2 VAL A 35 -16.671 1.955 -25.655 1.00 0.00 C ATOM 0 H VAL A 35 -15.248 3.925 -27.284 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.445 3.014 -24.712 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.298 1.612 -27.264 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.497 -0.458 -25.942 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.811 0.100 -26.052 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.739 0.361 -24.556 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.342 1.146 -25.942 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.644 2.036 -24.568 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.030 2.892 -26.080 1.00 0.00 H new ATOM 569 N LEU A 36 -12.391 2.580 -27.229 1.00 0.00 N ATOM 570 CA LEU A 36 -11.026 2.233 -27.597 1.00 0.00 C ATOM 571 C LEU A 36 -10.015 3.037 -26.785 1.00 0.00 C ATOM 572 O LEU A 36 -8.968 2.521 -26.412 1.00 0.00 O ATOM 573 CB LEU A 36 -10.816 2.428 -29.098 1.00 0.00 C ATOM 574 CG LEU A 36 -11.599 1.456 -29.988 1.00 0.00 C ATOM 575 CD1 LEU A 36 -11.679 1.965 -31.416 1.00 0.00 C ATOM 576 CD2 LEU A 36 -10.966 0.075 -29.950 1.00 0.00 C ATOM 0 H LEU A 36 -12.941 2.979 -27.990 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.864 1.181 -27.364 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.099 3.447 -29.361 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.754 2.325 -29.318 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.615 1.386 -29.599 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.240 1.255 -32.024 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.182 2.932 -31.430 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.673 2.074 -31.820 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.534 -0.603 -30.587 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.939 0.136 -30.309 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.971 -0.299 -28.926 1.00 0.00 H new ATOM 588 N GLU A 37 -10.358 4.287 -26.477 1.00 0.00 N ATOM 589 CA GLU A 37 -9.489 5.145 -25.673 1.00 0.00 C ATOM 590 C GLU A 37 -9.398 4.599 -24.253 1.00 0.00 C ATOM 591 O GLU A 37 -8.333 4.607 -23.632 1.00 0.00 O ATOM 592 CB GLU A 37 -10.031 6.576 -25.641 1.00 0.00 C ATOM 593 CG GLU A 37 -10.013 7.279 -26.985 1.00 0.00 C ATOM 594 CD GLU A 37 -10.684 8.635 -26.942 1.00 0.00 C ATOM 595 OE1 GLU A 37 -11.577 8.892 -27.773 1.00 0.00 O ATOM 596 OE2 GLU A 37 -10.324 9.456 -26.079 1.00 0.00 O1- ATOM 0 H GLU A 37 -11.230 4.727 -26.771 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.496 5.156 -26.123 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.055 6.556 -25.268 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.444 7.159 -24.931 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.981 7.399 -27.314 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.513 6.654 -27.725 1.00 0.00 H new ATOM 603 N GLU A 38 -10.526 4.103 -23.759 1.00 0.00 N ATOM 604 CA GLU A 38 -10.606 3.523 -22.430 1.00 0.00 C ATOM 605 C GLU A 38 -9.746 2.264 -22.369 1.00 0.00 C ATOM 606 O GLU A 38 -8.976 2.061 -21.428 1.00 0.00 O ATOM 607 CB GLU A 38 -12.069 3.168 -22.123 1.00 0.00 C ATOM 608 CG GLU A 38 -12.318 2.631 -20.722 1.00 0.00 C ATOM 609 CD GLU A 38 -12.144 3.686 -19.658 1.00 0.00 C ATOM 610 OE1 GLU A 38 -12.829 4.727 -19.733 1.00 0.00 O ATOM 611 OE2 GLU A 38 -11.337 3.479 -18.731 1.00 0.00 O1- ATOM 0 H GLU A 38 -11.409 4.093 -24.270 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.242 4.239 -21.693 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.682 4.057 -22.269 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.407 2.426 -22.846 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.329 2.227 -20.666 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.633 1.806 -20.526 1.00 0.00 H new ATOM 618 N ILE A 39 -9.869 1.447 -23.403 1.00 0.00 N ATOM 619 CA ILE A 39 -9.142 0.192 -23.488 1.00 0.00 C ATOM 620 C ILE A 39 -7.639 0.428 -23.601 1.00 0.00 C ATOM 621 O ILE A 39 -6.856 -0.180 -22.869 1.00 0.00 O ATOM 622 CB ILE A 39 -9.628 -0.667 -24.676 1.00 0.00 C ATOM 623 CG1 ILE A 39 -11.102 -1.020 -24.492 1.00 0.00 C ATOM 624 CG2 ILE A 39 -8.787 -1.933 -24.805 1.00 0.00 C ATOM 625 CD1 ILE A 39 -11.679 -1.833 -25.622 1.00 0.00 C ATOM 0 H ILE A 39 -10.473 1.635 -24.203 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.342 -0.352 -22.565 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.515 -0.091 -25.594 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.220 -1.575 -23.561 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.676 -0.099 -24.389 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.146 -2.524 -25.648 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.744 -1.662 -24.970 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.869 -2.519 -23.890 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.729 -2.044 -25.419 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.595 -1.273 -26.553 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.131 -2.771 -25.712 1.00 0.00 H new ATOM 637 N GLU A 40 -7.237 1.321 -24.502 1.00 0.00 N ATOM 638 CA GLU A 40 -5.824 1.643 -24.677 1.00 0.00 C ATOM 639 C GLU A 40 -5.200 2.155 -23.387 1.00 0.00 C ATOM 640 O GLU A 40 -4.057 1.818 -23.066 1.00 0.00 O ATOM 641 CB GLU A 40 -5.632 2.645 -25.813 1.00 0.00 C ATOM 642 CG GLU A 40 -5.908 2.049 -27.182 1.00 0.00 C ATOM 643 CD GLU A 40 -5.556 2.981 -28.313 1.00 0.00 C ATOM 644 OE1 GLU A 40 -4.347 3.152 -28.585 1.00 0.00 O ATOM 645 OE2 GLU A 40 -6.474 3.530 -28.949 1.00 0.00 O1- ATOM 0 H GLU A 40 -7.867 1.832 -25.120 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.308 0.721 -24.944 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.293 3.497 -25.654 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.610 3.024 -25.787 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.341 1.125 -27.291 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.963 1.785 -27.251 1.00 0.00 H new ATOM 652 N GLU A 41 -5.952 2.940 -22.628 1.00 0.00 N ATOM 653 CA GLU A 41 -5.460 3.433 -21.358 1.00 0.00 C ATOM 654 C GLU A 41 -5.336 2.302 -20.349 1.00 0.00 C ATOM 655 O GLU A 41 -4.405 2.279 -19.550 1.00 0.00 O ATOM 656 CB GLU A 41 -6.353 4.531 -20.799 1.00 0.00 C ATOM 657 CG GLU A 41 -5.963 5.926 -21.238 1.00 0.00 C ATOM 658 CD GLU A 41 -6.690 6.992 -20.453 1.00 0.00 C ATOM 659 OE1 GLU A 41 -6.740 6.889 -19.206 1.00 0.00 O ATOM 660 OE2 GLU A 41 -7.193 7.950 -21.068 1.00 0.00 O1- ATOM 0 H GLU A 41 -6.895 3.244 -22.870 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.472 3.857 -21.538 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.382 4.339 -21.105 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.330 4.484 -19.710 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.888 6.057 -21.116 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.181 6.046 -22.299 1.00 0.00 H new ATOM 667 N LEU A 42 -6.257 1.345 -20.411 1.00 0.00 N ATOM 668 CA LEU A 42 -6.251 0.216 -19.491 1.00 0.00 C ATOM 669 C LEU A 42 -5.054 -0.675 -19.744 1.00 0.00 C ATOM 670 O LEU A 42 -4.472 -1.218 -18.810 1.00 0.00 O ATOM 671 CB LEU A 42 -7.547 -0.591 -19.598 1.00 0.00 C ATOM 672 CG LEU A 42 -8.808 0.109 -19.095 1.00 0.00 C ATOM 673 CD1 LEU A 42 -10.026 -0.767 -19.313 1.00 0.00 C ATOM 674 CD2 LEU A 42 -8.668 0.474 -17.625 1.00 0.00 C ATOM 0 H LEU A 42 -7.018 1.330 -21.090 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.181 0.613 -18.478 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.698 -0.864 -20.642 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.422 -1.519 -19.040 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.940 1.029 -19.665 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.915 -0.252 -18.949 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.138 -0.976 -20.377 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.902 -1.704 -18.770 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.576 0.972 -17.286 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.509 -0.431 -17.039 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.818 1.144 -17.496 1.00 0.00 H new ATOM 686 N ILE A 43 -4.681 -0.812 -21.011 1.00 0.00 N ATOM 687 CA ILE A 43 -3.529 -1.620 -21.383 1.00 0.00 C ATOM 688 C ILE A 43 -2.277 -1.042 -20.737 1.00 0.00 C ATOM 689 O ILE A 43 -1.457 -1.769 -20.169 1.00 0.00 O ATOM 690 CB ILE A 43 -3.335 -1.652 -22.923 1.00 0.00 C ATOM 691 CG1 ILE A 43 -4.554 -2.278 -23.606 1.00 0.00 C ATOM 692 CG2 ILE A 43 -2.066 -2.420 -23.290 1.00 0.00 C ATOM 693 CD1 ILE A 43 -4.494 -2.243 -25.121 1.00 0.00 C ATOM 0 H ILE A 43 -5.161 -0.373 -21.797 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.702 -2.638 -21.035 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.231 -0.626 -23.275 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.649 -3.314 -23.280 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.452 -1.756 -23.275 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.948 -2.431 -24.374 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.202 -1.934 -22.836 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.141 -3.444 -22.923 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.392 -2.705 -25.531 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.431 -1.209 -25.459 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.616 -2.791 -25.463 1.00 0.00 H new ATOM 705 N GLN A 44 -2.162 0.277 -20.801 1.00 0.00 N ATOM 706 CA GLN A 44 -1.029 0.983 -20.230 1.00 0.00 C ATOM 707 C GLN A 44 -1.035 0.898 -18.712 1.00 0.00 C ATOM 708 O GLN A 44 -0.014 0.632 -18.106 1.00 0.00 O ATOM 709 CB GLN A 44 -1.042 2.440 -20.661 1.00 0.00 C ATOM 710 CG GLN A 44 -0.830 2.641 -22.144 1.00 0.00 C ATOM 711 CD GLN A 44 -0.914 4.094 -22.544 1.00 0.00 C ATOM 712 OE1 GLN A 44 -1.658 4.879 -21.941 1.00 0.00 O ATOM 713 NE2 GLN A 44 -0.146 4.469 -23.544 1.00 0.00 N ATOM 0 H GLN A 44 -2.849 0.883 -21.249 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.121 0.506 -20.598 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.996 2.885 -20.377 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.265 2.977 -20.117 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.145 2.245 -22.426 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.577 2.071 -22.696 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.451 3.787 -24.012 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.148 5.442 -23.852 1.00 0.00 H new ATOM 722 N LYS A 45 -2.199 1.101 -18.111 1.00 0.00 N ATOM 723 CA LYS A 45 -2.333 1.073 -16.651 1.00 0.00 C ATOM 724 C LYS A 45 -2.063 -0.324 -16.099 1.00 0.00 C ATOM 725 O LYS A 45 -1.483 -0.479 -15.024 1.00 0.00 O ATOM 726 CB LYS A 45 -3.727 1.558 -16.239 1.00 0.00 C ATOM 727 CG LYS A 45 -3.993 3.006 -16.618 1.00 0.00 C ATOM 728 CD LYS A 45 -5.466 3.365 -16.503 1.00 0.00 C ATOM 729 CE LYS A 45 -5.720 4.764 -17.041 1.00 0.00 C ATOM 730 NZ LYS A 45 -7.164 5.111 -17.069 1.00 0.00 N1+ ATOM 0 H LYS A 45 -3.070 1.288 -18.609 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.588 1.746 -16.227 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.479 0.923 -16.707 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.840 1.445 -15.161 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.409 3.662 -15.973 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.656 3.181 -17.640 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.066 2.642 -17.056 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.779 3.308 -15.461 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.188 5.489 -16.425 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.312 4.842 -18.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.338 5.813 -17.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.723 4.255 -17.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.444 5.508 -16.149 1.00 0.00 H new ATOM 744 N HIS A 46 -2.467 -1.330 -16.849 1.00 0.00 N ATOM 745 CA HIS A 46 -2.273 -2.712 -16.452 1.00 0.00 C ATOM 746 C HIS A 46 -0.811 -3.116 -16.635 1.00 0.00 C ATOM 747 O HIS A 46 -0.218 -3.752 -15.764 1.00 0.00 O ATOM 748 CB HIS A 46 -3.210 -3.611 -17.275 1.00 0.00 C ATOM 749 CG HIS A 46 -3.029 -5.091 -17.096 1.00 0.00 C ATOM 750 ND1 HIS A 46 -3.087 -5.738 -15.880 1.00 0.00 N ATOM 751 CD2 HIS A 46 -2.828 -6.049 -18.015 1.00 0.00 C ATOM 752 CE1 HIS A 46 -2.928 -7.042 -16.072 1.00 0.00 C ATOM 753 NE2 HIS A 46 -2.771 -7.254 -17.369 1.00 0.00 N ATOM 0 H HIS A 46 -2.937 -1.214 -17.747 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.516 -2.829 -15.396 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.239 -3.358 -17.021 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.074 -3.374 -18.330 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.729 -5.895 -19.079 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.927 -7.800 -15.302 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.631 -8.162 -17.812 1.00 0.00 H new ATOM 761 N ARG A 47 -0.232 -2.732 -17.769 1.00 0.00 N ATOM 762 CA ARG A 47 1.167 -3.034 -18.043 1.00 0.00 C ATOM 763 C ARG A 47 2.100 -2.200 -17.170 1.00 0.00 C ATOM 764 O ARG A 47 3.176 -2.648 -16.817 1.00 0.00 O ATOM 765 CB ARG A 47 1.516 -2.856 -19.527 1.00 0.00 C ATOM 766 CG ARG A 47 2.948 -3.262 -19.848 1.00 0.00 C ATOM 767 CD ARG A 47 3.223 -3.297 -21.339 1.00 0.00 C ATOM 768 NE ARG A 47 4.588 -3.754 -21.610 1.00 0.00 N ATOM 769 CZ ARG A 47 4.932 -4.612 -22.575 1.00 0.00 C ATOM 770 NH1 ARG A 47 4.016 -5.082 -23.419 1.00 0.00 N1+ ATOM 771 NH2 ARG A 47 6.198 -4.994 -22.697 1.00 0.00 N ATOM 0 H ARG A 47 -0.707 -2.214 -18.508 1.00 0.00 H new ATOM 0 HA ARG A 47 1.313 -4.085 -17.793 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.830 -3.450 -20.131 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.367 -1.814 -19.808 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.636 -2.563 -19.372 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.147 -4.245 -19.422 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.510 -3.960 -21.829 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.077 -2.303 -21.763 1.00 0.00 H new ATOM 0 HE ARG A 47 5.333 -3.389 -21.017 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.043 -4.787 -23.332 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.287 -5.737 -24.153 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.904 -4.633 -22.055 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.465 -5.649 -23.432 1.00 0.00 H new ATOM 785 N GLN A 48 1.666 -0.995 -16.805 1.00 0.00 N ATOM 786 CA GLN A 48 2.482 -0.090 -15.989 1.00 0.00 C ATOM 787 C GLN A 48 2.840 -0.752 -14.672 1.00 0.00 C ATOM 788 O GLN A 48 3.954 -0.608 -14.167 1.00 0.00 O ATOM 789 CB GLN A 48 1.721 1.218 -15.728 1.00 0.00 C ATOM 790 CG GLN A 48 2.506 2.257 -14.942 1.00 0.00 C ATOM 791 CD GLN A 48 3.785 2.669 -15.638 1.00 0.00 C ATOM 792 OE1 GLN A 48 4.840 2.082 -15.417 1.00 0.00 O ATOM 793 NE2 GLN A 48 3.697 3.673 -16.485 1.00 0.00 N ATOM 0 H GLN A 48 0.753 -0.620 -17.061 1.00 0.00 H new ATOM 0 HA GLN A 48 3.400 0.137 -16.531 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.427 1.650 -16.685 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.803 0.988 -15.187 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.882 3.137 -14.786 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.745 1.857 -13.957 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.800 4.133 -16.639 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.526 3.991 -16.987 1.00 0.00 H new ATOM 802 N LEU A 49 1.906 -1.496 -14.127 1.00 0.00 N ATOM 803 CA LEU A 49 2.136 -2.205 -12.895 1.00 0.00 C ATOM 804 C LEU A 49 3.089 -3.366 -13.134 1.00 0.00 C ATOM 805 O LEU A 49 3.959 -3.636 -12.320 1.00 0.00 O ATOM 806 CB LEU A 49 0.810 -2.693 -12.319 1.00 0.00 C ATOM 807 CG LEU A 49 -0.165 -1.584 -11.917 1.00 0.00 C ATOM 808 CD1 LEU A 49 -1.512 -2.161 -11.541 1.00 0.00 C ATOM 809 CD2 LEU A 49 0.404 -0.765 -10.768 1.00 0.00 C ATOM 0 H LEU A 49 0.975 -1.625 -14.522 1.00 0.00 H new ATOM 0 HA LEU A 49 2.594 -1.532 -12.171 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.325 -3.334 -13.055 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.016 -3.311 -11.445 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.305 -0.927 -12.775 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.188 -1.354 -11.259 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.927 -2.701 -12.392 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.393 -2.845 -10.701 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.302 0.019 -10.495 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.576 -1.414 -9.909 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.347 -0.313 -11.075 1.00 0.00 H new ATOM 821 N PHE A 50 2.943 -4.010 -14.287 1.00 0.00 N ATOM 822 CA PHE A 50 3.788 -5.141 -14.663 1.00 0.00 C ATOM 823 C PHE A 50 5.221 -4.679 -14.954 1.00 0.00 C ATOM 824 O PHE A 50 6.178 -5.420 -14.737 1.00 0.00 O ATOM 825 CB PHE A 50 3.195 -5.862 -15.886 1.00 0.00 C ATOM 826 CG PHE A 50 4.020 -7.023 -16.376 1.00 0.00 C ATOM 827 CD1 PHE A 50 4.105 -8.193 -15.637 1.00 0.00 C ATOM 828 CD2 PHE A 50 4.707 -6.943 -17.578 1.00 0.00 C ATOM 829 CE1 PHE A 50 4.859 -9.260 -16.087 1.00 0.00 C ATOM 830 CE2 PHE A 50 5.464 -8.007 -18.032 1.00 0.00 C ATOM 831 CZ PHE A 50 5.540 -9.166 -17.285 1.00 0.00 C ATOM 0 H PHE A 50 2.240 -3.766 -14.985 1.00 0.00 H new ATOM 0 HA PHE A 50 3.822 -5.839 -13.826 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.197 -6.220 -15.634 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.081 -5.143 -16.698 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.576 -8.271 -14.699 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.650 -6.039 -18.166 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.916 -10.166 -15.503 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.995 -7.932 -18.969 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.131 -9.998 -17.637 1.00 0.00 H new ATOM 841 N ASP A 51 5.357 -3.445 -15.430 1.00 0.00 N ATOM 842 CA ASP A 51 6.670 -2.879 -15.737 1.00 0.00 C ATOM 843 C ASP A 51 7.445 -2.641 -14.457 1.00 0.00 C ATOM 844 O ASP A 51 8.671 -2.691 -14.438 1.00 0.00 O ATOM 845 CB ASP A 51 6.547 -1.560 -16.517 1.00 0.00 C ATOM 846 CG ASP A 51 6.038 -1.739 -17.935 1.00 0.00 C ATOM 847 OD1 ASP A 51 6.501 -2.670 -18.633 1.00 0.00 O ATOM 848 OD2 ASP A 51 5.194 -0.921 -18.377 1.00 0.00 O1- ATOM 0 H ASP A 51 4.575 -2.816 -15.612 1.00 0.00 H new ATOM 0 HA ASP A 51 7.202 -3.596 -16.362 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.874 -0.891 -15.980 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.522 -1.074 -16.548 1.00 0.00 H new ATOM 969 N GLU A 60 4.258 -17.553 -19.906 1.00 0.00 N ATOM 970 CA GLU A 60 3.476 -17.619 -21.135 1.00 0.00 C ATOM 971 C GLU A 60 2.414 -16.519 -21.171 1.00 0.00 C ATOM 972 O GLU A 60 2.090 -15.982 -22.232 1.00 0.00 O ATOM 973 CB GLU A 60 2.831 -18.995 -21.286 1.00 0.00 C ATOM 974 CG GLU A 60 2.397 -19.316 -22.707 1.00 0.00 C ATOM 975 CD GLU A 60 3.554 -19.270 -23.687 1.00 0.00 C ATOM 976 OE1 GLU A 60 3.499 -18.474 -24.646 1.00 0.00 O ATOM 977 OE2 GLU A 60 4.526 -20.029 -23.503 1.00 0.00 O1- ATOM 0 HA GLU A 60 4.153 -17.460 -21.975 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.536 -19.755 -20.951 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.963 -19.053 -20.629 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.943 -20.307 -22.731 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.631 -18.607 -23.019 1.00 0.00 H new ATOM 984 N ALA A 61 1.899 -16.180 -20.001 1.00 0.00 N ATOM 985 CA ALA A 61 0.867 -15.160 -19.878 1.00 0.00 C ATOM 986 C ALA A 61 1.385 -13.813 -20.363 1.00 0.00 C ATOM 987 O ALA A 61 0.689 -13.088 -21.078 1.00 0.00 O ATOM 988 CB ALA A 61 0.381 -15.055 -18.441 1.00 0.00 C ATOM 0 H ALA A 61 2.181 -16.599 -19.115 1.00 0.00 H new ATOM 0 HA ALA A 61 0.024 -15.453 -20.504 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.389 -14.287 -18.373 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.033 -16.013 -18.126 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.216 -14.790 -17.793 1.00 0.00 H new ATOM 994 N ALA A 62 2.621 -13.492 -19.989 1.00 0.00 N ATOM 995 CA ALA A 62 3.241 -12.239 -20.393 1.00 0.00 C ATOM 996 C ALA A 62 3.451 -12.198 -21.902 1.00 0.00 C ATOM 997 O ALA A 62 3.192 -11.179 -22.549 1.00 0.00 O ATOM 998 CB ALA A 62 4.567 -12.051 -19.666 1.00 0.00 C ATOM 0 H ALA A 62 3.211 -14.085 -19.406 1.00 0.00 H new ATOM 0 HA ALA A 62 2.572 -11.422 -20.122 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.022 -11.110 -19.976 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.393 -12.032 -18.590 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.236 -12.876 -19.911 1.00 0.00 H new ATOM 1004 N LYS A 63 3.905 -13.316 -22.460 1.00 0.00 N ATOM 1005 CA LYS A 63 4.129 -13.423 -23.899 1.00 0.00 C ATOM 1006 C LYS A 63 2.819 -13.270 -24.658 1.00 0.00 C ATOM 1007 O LYS A 63 2.746 -12.554 -25.663 1.00 0.00 O ATOM 1008 CB LYS A 63 4.765 -14.771 -24.243 1.00 0.00 C ATOM 1009 CG LYS A 63 6.136 -14.990 -23.630 1.00 0.00 C ATOM 1010 CD LYS A 63 6.665 -16.373 -23.969 1.00 0.00 C ATOM 1011 CE LYS A 63 8.069 -16.587 -23.429 1.00 0.00 C ATOM 1012 NZ LYS A 63 9.043 -15.642 -24.023 1.00 0.00 N1+ ATOM 0 H LYS A 63 4.126 -14.163 -21.937 1.00 0.00 H new ATOM 0 HA LYS A 63 4.807 -12.622 -24.195 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.100 -15.568 -23.911 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.847 -14.855 -25.327 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.828 -14.231 -23.996 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.078 -14.873 -22.548 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.997 -17.129 -23.556 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.667 -16.506 -25.051 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.063 -16.467 -22.346 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.385 -17.610 -23.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.010 -15.974 -23.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.892 -15.588 -25.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.912 -14.699 -23.604 1.00 0.00 H new ATOM 1026 N GLN A 64 1.788 -13.934 -24.164 1.00 0.00 N ATOM 1027 CA GLN A 64 0.478 -13.882 -24.778 1.00 0.00 C ATOM 1028 C GLN A 64 -0.075 -12.458 -24.723 1.00 0.00 C ATOM 1029 O GLN A 64 -0.705 -11.988 -25.673 1.00 0.00 O ATOM 1030 CB GLN A 64 -0.471 -14.853 -24.075 1.00 0.00 C ATOM 1031 CG GLN A 64 -1.759 -15.118 -24.834 1.00 0.00 C ATOM 1032 CD GLN A 64 -1.518 -15.807 -26.158 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -1.351 -15.163 -27.190 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -1.490 -17.120 -26.136 1.00 0.00 N ATOM 0 H GLN A 64 1.837 -14.520 -23.331 1.00 0.00 H new ATOM 0 HA GLN A 64 0.566 -14.178 -25.823 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.046 -15.799 -23.916 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.717 -14.455 -23.090 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.418 -15.734 -24.222 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.276 -14.174 -25.008 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.633 -17.619 -25.258 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.325 -17.641 -26.997 1.00 0.00 H new ATOM 1043 N GLY A 65 0.176 -11.772 -23.608 1.00 0.00 N ATOM 1044 CA GLY A 65 -0.269 -10.399 -23.464 1.00 0.00 C ATOM 1045 C GLY A 65 0.333 -9.472 -24.502 1.00 0.00 C ATOM 1046 O GLY A 65 -0.370 -8.631 -25.056 1.00 0.00 O ATOM 0 H GLY A 65 0.680 -12.145 -22.803 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.356 -10.365 -23.540 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.008 -10.040 -22.468 1.00 0.00 H new ATOM 1050 N ASP A 66 1.624 -9.629 -24.785 1.00 0.00 N ATOM 1051 CA ASP A 66 2.280 -8.798 -25.803 1.00 0.00 C ATOM 1052 C ASP A 66 1.655 -9.019 -27.169 1.00 0.00 C ATOM 1053 O ASP A 66 1.436 -8.071 -27.922 1.00 0.00 O ATOM 1054 CB ASP A 66 3.788 -9.060 -25.869 1.00 0.00 C ATOM 1055 CG ASP A 66 4.571 -8.231 -24.875 1.00 0.00 C ATOM 1056 OD1 ASP A 66 4.729 -7.011 -25.098 1.00 0.00 O ATOM 1057 OD2 ASP A 66 5.049 -8.791 -23.872 1.00 0.00 O1- ATOM 0 H ASP A 66 2.233 -10.312 -24.334 1.00 0.00 H new ATOM 0 HA ASP A 66 2.132 -7.759 -25.509 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.977 -10.117 -25.682 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.146 -8.845 -26.876 1.00 0.00 H new ATOM 1062 N GLN A 67 1.353 -10.274 -27.478 1.00 0.00 N ATOM 1063 CA GLN A 67 0.722 -10.619 -28.746 1.00 0.00 C ATOM 1064 C GLN A 67 -0.654 -9.968 -28.843 1.00 0.00 C ATOM 1065 O GLN A 67 -1.034 -9.438 -29.889 1.00 0.00 O ATOM 1066 CB GLN A 67 0.599 -12.138 -28.889 1.00 0.00 C ATOM 1067 CG GLN A 67 -0.010 -12.582 -30.212 1.00 0.00 C ATOM 1068 CD GLN A 67 -0.136 -14.086 -30.321 1.00 0.00 C ATOM 1069 OE1 GLN A 67 0.656 -14.832 -29.746 1.00 0.00 O ATOM 1070 NE2 GLN A 67 -1.125 -14.542 -31.066 1.00 0.00 N ATOM 0 H GLN A 67 1.535 -11.070 -26.867 1.00 0.00 H new ATOM 0 HA GLN A 67 1.347 -10.245 -29.557 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.588 -12.585 -28.787 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.011 -12.523 -28.071 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.996 -12.130 -30.324 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.605 -12.213 -31.033 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.760 -13.889 -31.526 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.255 -15.547 -31.182 1.00 0.00 H new ATOM 1079 N TRP A 68 -1.384 -9.997 -27.734 1.00 0.00 N ATOM 1080 CA TRP A 68 -2.711 -9.402 -27.660 1.00 0.00 C ATOM 1081 C TRP A 68 -2.631 -7.903 -27.940 1.00 0.00 C ATOM 1082 O TRP A 68 -3.485 -7.339 -28.623 1.00 0.00 O ATOM 1083 CB TRP A 68 -3.332 -9.652 -26.280 1.00 0.00 C ATOM 1084 CG TRP A 68 -4.780 -9.267 -26.190 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -5.848 -10.073 -26.440 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -5.322 -7.988 -25.825 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -7.018 -9.383 -26.258 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -6.725 -8.101 -25.881 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -4.759 -6.762 -25.460 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -7.571 -7.037 -25.583 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -5.600 -5.708 -25.165 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -6.992 -5.851 -25.227 1.00 0.00 C ATOM 0 H TRP A 68 -1.074 -10.432 -26.865 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.345 -9.867 -28.415 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.230 -10.708 -26.032 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.770 -9.093 -25.532 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -5.783 -11.109 -26.739 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -7.956 -9.764 -26.383 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -3.687 -6.642 -25.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -8.645 -7.144 -25.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.177 -4.756 -24.881 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -7.621 -5.006 -24.988 1.00 0.00 H new ATOM 1103 N VAL A 69 -1.580 -7.273 -27.430 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.390 -5.840 -27.604 1.00 0.00 C ATOM 1105 C VAL A 69 -1.142 -5.521 -29.073 1.00 0.00 C ATOM 1106 O VAL A 69 -1.693 -4.562 -29.612 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.210 -5.305 -26.748 1.00 0.00 C ATOM 1108 CG1 VAL A 69 0.031 -3.823 -27.018 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -0.479 -5.532 -25.268 1.00 0.00 C ATOM 0 H VAL A 69 -0.846 -7.733 -26.892 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.301 -5.345 -27.267 1.00 0.00 H new ATOM 0 HB VAL A 69 0.687 -5.856 -27.030 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.862 -3.472 -26.406 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.270 -3.679 -28.072 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.867 -3.257 -26.769 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.358 -5.151 -24.683 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.391 -5.009 -24.980 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.598 -6.599 -25.079 1.00 0.00 H new ATOM 1119 N GLN A 70 -0.343 -6.358 -29.727 1.00 0.00 N ATOM 1120 CA GLN A 70 -0.024 -6.160 -31.132 1.00 0.00 C ATOM 1121 C GLN A 70 -1.270 -6.345 -31.985 1.00 0.00 C ATOM 1122 O GLN A 70 -1.519 -5.577 -32.915 1.00 0.00 O ATOM 1123 CB GLN A 70 1.074 -7.126 -31.582 1.00 0.00 C ATOM 1124 CG GLN A 70 2.375 -6.987 -30.802 1.00 0.00 C ATOM 1125 CD GLN A 70 2.933 -5.577 -30.840 1.00 0.00 C ATOM 1126 OE1 GLN A 70 2.626 -4.750 -29.984 1.00 0.00 O ATOM 1127 NE2 GLN A 70 3.751 -5.294 -31.831 1.00 0.00 N ATOM 0 H GLN A 70 0.094 -7.178 -29.305 1.00 0.00 H new ATOM 0 HA GLN A 70 0.343 -5.142 -31.259 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.709 -8.148 -31.482 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.277 -6.963 -32.640 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.205 -7.278 -29.765 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.114 -7.677 -31.210 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.981 -6.008 -32.522 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.155 -4.360 -31.908 1.00 0.00 H new ATOM 1136 N LEU A 71 -2.060 -7.360 -31.649 1.00 0.00 N ATOM 1137 CA LEU A 71 -3.303 -7.637 -32.353 1.00 0.00 C ATOM 1138 C LEU A 71 -4.286 -6.482 -32.178 1.00 0.00 C ATOM 1139 O LEU A 71 -4.983 -6.099 -33.117 1.00 0.00 O ATOM 1140 CB LEU A 71 -3.932 -8.937 -31.838 1.00 0.00 C ATOM 1141 CG LEU A 71 -3.179 -10.229 -32.158 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -3.778 -11.396 -31.386 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -3.226 -10.513 -33.650 1.00 0.00 C ATOM 0 H LEU A 71 -1.857 -8.008 -30.887 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.076 -7.749 -33.413 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.036 -8.861 -30.756 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.938 -9.017 -32.250 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.139 -10.106 -31.857 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.232 -12.309 -31.624 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.707 -11.199 -30.316 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.825 -11.517 -31.664 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.686 -11.436 -33.862 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.263 -10.619 -33.968 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.763 -9.689 -34.192 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.322 -5.921 -30.973 1.00 0.00 N ATOM 1156 CA PHE A 72 -5.219 -4.816 -30.677 1.00 0.00 C ATOM 1157 C PHE A 72 -4.814 -3.574 -31.462 1.00 0.00 C ATOM 1158 O PHE A 72 -5.665 -2.827 -31.949 1.00 0.00 O ATOM 1159 CB PHE A 72 -5.257 -4.512 -29.176 1.00 0.00 C ATOM 1160 CG PHE A 72 -6.258 -3.449 -28.818 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -7.592 -3.774 -28.637 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -5.871 -2.126 -28.678 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -8.520 -2.803 -28.324 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -6.795 -1.152 -28.363 1.00 0.00 C ATOM 1165 CZ PHE A 72 -8.120 -1.489 -28.187 1.00 0.00 C ATOM 0 H PHE A 72 -3.740 -6.215 -30.189 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.223 -5.112 -30.982 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.495 -5.426 -28.632 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.266 -4.195 -28.850 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.910 -4.801 -28.742 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.835 -1.855 -28.817 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.557 -3.070 -28.186 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.480 -0.125 -28.254 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.844 -0.726 -27.942 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.514 -3.358 -31.587 1.00 0.00 N ATOM 1176 CA GLN A 73 -3.008 -2.235 -32.356 1.00 0.00 C ATOM 1177 C GLN A 73 -3.386 -2.392 -33.822 1.00 0.00 C ATOM 1178 O GLN A 73 -3.741 -1.423 -34.484 1.00 0.00 O ATOM 1179 CB GLN A 73 -1.500 -2.101 -32.190 1.00 0.00 C ATOM 1180 CG GLN A 73 -1.086 -1.758 -30.769 1.00 0.00 C ATOM 1181 CD GLN A 73 0.410 -1.611 -30.597 1.00 0.00 C ATOM 1182 OE1 GLN A 73 1.173 -2.338 -31.384 1.00 0.00 O flip ATOM 1183 NE2 GLN A 73 0.873 -0.846 -29.751 1.00 0.00 N flip ATOM 0 H GLN A 73 -2.793 -3.944 -31.167 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.465 -1.320 -31.979 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.023 -3.036 -32.486 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.133 -1.328 -32.866 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.571 -0.828 -30.472 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.447 -2.536 -30.096 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.246 -0.299 -29.160 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.883 -0.759 -29.641 1.00 0.00 H new ATOM 1192 N ARG A 74 -3.340 -3.631 -34.312 1.00 0.00 N ATOM 1193 CA ARG A 74 -3.757 -3.928 -35.680 1.00 0.00 C ATOM 1194 C ARG A 74 -5.240 -3.623 -35.834 1.00 0.00 C ATOM 1195 O ARG A 74 -5.686 -3.142 -36.874 1.00 0.00 O ATOM 1196 CB ARG A 74 -3.513 -5.400 -36.011 1.00 0.00 C ATOM 1197 CG ARG A 74 -2.059 -5.820 -35.994 1.00 0.00 C ATOM 1198 CD ARG A 74 -1.932 -7.308 -36.256 1.00 0.00 C ATOM 1199 NE ARG A 74 -0.543 -7.755 -36.269 1.00 0.00 N ATOM 1200 CZ ARG A 74 -0.154 -8.964 -36.680 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -1.057 -9.863 -37.061 1.00 0.00 N1+ ATOM 1202 NH2 ARG A 74 1.128 -9.278 -36.700 1.00 0.00 N ATOM 0 H ARG A 74 -3.019 -4.442 -33.783 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.173 -3.311 -36.363 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.063 -6.014 -35.298 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.926 -5.610 -36.998 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.505 -5.263 -36.750 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.615 -5.576 -35.029 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.480 -7.857 -35.490 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.396 -7.546 -37.213 1.00 0.00 H new ATOM 0 HE ARG A 74 0.173 -7.105 -35.945 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.050 -9.629 -37.040 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.757 -10.786 -37.375 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.825 -8.596 -36.401 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.422 -10.203 -37.015 1.00 0.00 H new ATOM 1216 N PHE A 75 -5.990 -3.920 -34.782 1.00 0.00 N ATOM 1217 CA PHE A 75 -7.418 -3.654 -34.747 1.00 0.00 C ATOM 1218 C PHE A 75 -7.661 -2.149 -34.887 1.00 0.00 C ATOM 1219 O PHE A 75 -8.516 -1.716 -35.660 1.00 0.00 O ATOM 1220 CB PHE A 75 -8.028 -4.195 -33.446 1.00 0.00 C ATOM 1221 CG PHE A 75 -9.518 -4.023 -33.338 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -10.374 -4.837 -34.063 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -10.062 -3.060 -32.505 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -11.742 -4.692 -33.961 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -11.431 -2.909 -32.401 1.00 0.00 C ATOM 1226 CZ PHE A 75 -12.272 -3.727 -33.130 1.00 0.00 C ATOM 0 H PHE A 75 -5.626 -4.351 -33.932 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.903 -4.163 -35.580 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.790 -5.255 -33.361 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.555 -3.694 -32.602 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.965 -5.594 -34.716 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.409 -2.420 -31.930 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.398 -5.333 -34.531 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.843 -2.152 -31.750 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.343 -3.611 -33.050 1.00 0.00 H new ATOM 1236 N ARG A 76 -6.889 -1.354 -34.142 1.00 0.00 N ATOM 1237 CA ARG A 76 -6.971 0.101 -34.245 1.00 0.00 C ATOM 1238 C ARG A 76 -6.560 0.570 -35.625 1.00 0.00 C ATOM 1239 O ARG A 76 -7.204 1.443 -36.203 1.00 0.00 O ATOM 1240 CB ARG A 76 -6.092 0.793 -33.202 1.00 0.00 C ATOM 1241 CG ARG A 76 -6.771 1.054 -31.871 1.00 0.00 C ATOM 1242 CD ARG A 76 -8.078 1.826 -32.043 1.00 0.00 C ATOM 1243 NE ARG A 76 -7.959 2.985 -32.957 1.00 0.00 N ATOM 1244 CZ ARG A 76 -8.599 4.147 -32.783 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -9.291 4.375 -31.668 1.00 0.00 N1+ ATOM 1246 NH2 ARG A 76 -8.520 5.089 -33.714 1.00 0.00 N ATOM 0 H ARG A 76 -6.205 -1.693 -33.466 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.011 0.371 -34.062 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.207 0.180 -33.029 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.747 1.743 -33.610 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.972 0.105 -31.373 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.098 1.617 -31.224 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.844 1.150 -32.423 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.417 2.175 -31.067 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.351 2.892 -33.770 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.335 3.662 -30.940 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.777 5.263 -31.542 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.973 4.926 -34.559 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.007 5.976 -33.585 1.00 0.00 H new ATOM 1260 N GLU A 77 -5.502 -0.026 -36.161 1.00 0.00 N ATOM 1261 CA GLU A 77 -5.000 0.356 -37.465 1.00 0.00 C ATOM 1262 C GLU A 77 -6.039 0.094 -38.526 1.00 0.00 C ATOM 1263 O GLU A 77 -6.207 0.884 -39.444 1.00 0.00 O ATOM 1264 CB GLU A 77 -3.716 -0.394 -37.809 1.00 0.00 C ATOM 1265 CG GLU A 77 -2.506 0.043 -37.011 1.00 0.00 C ATOM 1266 CD GLU A 77 -1.237 -0.597 -37.514 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -0.749 -0.187 -38.593 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -0.717 -1.511 -36.846 1.00 0.00 O1- ATOM 0 H GLU A 77 -4.978 -0.775 -35.709 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.777 1.422 -37.432 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.877 -1.460 -37.648 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.504 -0.261 -38.870 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.410 1.128 -37.062 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.651 -0.215 -35.962 1.00 0.00 H new ATOM 1275 N ALA A 78 -6.757 -1.005 -38.381 1.00 0.00 N ATOM 1276 CA ALA A 78 -7.771 -1.364 -39.337 1.00 0.00 C ATOM 1277 C ALA A 78 -8.907 -0.350 -39.317 1.00 0.00 C ATOM 1278 O ALA A 78 -9.355 0.090 -40.364 1.00 0.00 O ATOM 1279 CB ALA A 78 -8.282 -2.768 -39.069 1.00 0.00 C ATOM 0 H ALA A 78 -6.651 -1.661 -37.607 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.330 -1.353 -40.334 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.048 -3.022 -39.802 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.457 -3.476 -39.146 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.708 -2.815 -38.067 1.00 0.00 H new ATOM 1285 N ILE A 79 -9.360 0.037 -38.118 1.00 0.00 N ATOM 1286 CA ILE A 79 -10.415 1.051 -37.981 1.00 0.00 C ATOM 1287 C ILE A 79 -9.984 2.379 -38.593 1.00 0.00 C ATOM 1288 O ILE A 79 -10.746 3.012 -39.326 1.00 0.00 O ATOM 1289 CB ILE A 79 -10.769 1.292 -36.486 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -11.307 0.012 -35.849 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -11.779 2.430 -36.343 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -11.686 0.159 -34.394 1.00 0.00 C ATOM 0 H ILE A 79 -9.015 -0.334 -37.233 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.289 0.671 -38.509 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.857 1.580 -35.963 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.181 -0.320 -36.409 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.554 -0.771 -35.940 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.011 2.580 -35.289 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.356 3.346 -36.755 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -12.691 2.177 -36.883 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -12.058 -0.794 -34.017 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.810 0.460 -33.819 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -12.463 0.917 -34.295 1.00 0.00 H new ATOM 1304 N ASP A 80 -8.757 2.779 -38.313 1.00 0.00 N ATOM 1305 CA ASP A 80 -8.241 4.047 -38.807 1.00 0.00 C ATOM 1306 C ASP A 80 -8.091 4.028 -40.324 1.00 0.00 C ATOM 1307 O ASP A 80 -8.333 5.030 -40.994 1.00 0.00 O ATOM 1308 CB ASP A 80 -6.903 4.394 -38.141 1.00 0.00 C ATOM 1309 CG ASP A 80 -7.069 4.978 -36.745 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -6.915 4.233 -35.747 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -7.337 6.195 -36.636 1.00 0.00 O1- ATOM 0 H ASP A 80 -8.098 2.246 -37.746 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.965 4.820 -38.547 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.288 3.496 -38.083 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.366 5.107 -38.766 1.00 0.00 H new ATOM 1316 N LYS A 81 -7.694 2.884 -40.860 1.00 0.00 N ATOM 1317 CA LYS A 81 -7.522 2.729 -42.303 1.00 0.00 C ATOM 1318 C LYS A 81 -8.837 2.332 -42.996 1.00 0.00 C ATOM 1319 O LYS A 81 -8.889 2.199 -44.217 1.00 0.00 O ATOM 1320 CB LYS A 81 -6.415 1.706 -42.592 1.00 0.00 C ATOM 1321 CG LYS A 81 -5.072 2.094 -41.983 1.00 0.00 C ATOM 1322 CD LYS A 81 -4.074 0.947 -42.016 1.00 0.00 C ATOM 1323 CE LYS A 81 -2.867 1.249 -41.132 1.00 0.00 C ATOM 1324 NZ LYS A 81 -1.903 0.119 -41.085 1.00 0.00 N1+ ATOM 0 H LYS A 81 -7.484 2.045 -40.319 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.226 3.694 -42.714 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.716 0.733 -42.204 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.301 1.597 -43.671 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.662 2.946 -42.525 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.221 2.414 -40.952 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.557 0.030 -41.678 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.745 0.775 -43.041 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.361 2.140 -41.504 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.207 1.475 -40.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.631 -0.064 -40.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.346 -0.732 -41.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.056 0.362 -41.638 1.00 0.00 H new ATOM 1338 N GLY A 82 -9.894 2.157 -42.207 1.00 0.00 N ATOM 1339 CA GLY A 82 -11.205 1.817 -42.756 1.00 0.00 C ATOM 1340 C GLY A 82 -11.311 0.384 -43.258 1.00 0.00 C ATOM 1341 O GLY A 82 -12.140 0.084 -44.122 1.00 0.00 O ATOM 0 H GLY A 82 -9.870 2.244 -41.191 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.962 1.980 -41.989 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.431 2.497 -43.577 1.00 0.00 H new ATOM 1345 N ASP A 83 -10.499 -0.501 -42.716 1.00 0.00 N ATOM 1346 CA ASP A 83 -10.524 -1.898 -43.124 1.00 0.00 C ATOM 1347 C ASP A 83 -11.461 -2.685 -42.213 1.00 0.00 C ATOM 1348 O ASP A 83 -11.079 -3.110 -41.122 1.00 0.00 O ATOM 1349 CB ASP A 83 -9.119 -2.506 -43.099 1.00 0.00 C ATOM 1350 CG ASP A 83 -9.051 -3.850 -43.805 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -8.348 -3.948 -44.840 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -9.691 -4.809 -43.341 1.00 0.00 O1- ATOM 0 H ASP A 83 -9.814 -0.282 -41.993 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.892 -1.952 -44.149 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.420 -1.816 -43.571 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.798 -2.627 -42.064 1.00 0.00 H new ATOM 1357 N LYS A 84 -12.690 -2.846 -42.661 1.00 0.00 N ATOM 1358 CA LYS A 84 -13.713 -3.533 -41.882 1.00 0.00 C ATOM 1359 C LYS A 84 -13.503 -5.044 -41.874 1.00 0.00 C ATOM 1360 O LYS A 84 -13.811 -5.717 -40.888 1.00 0.00 O ATOM 1361 CB LYS A 84 -15.115 -3.179 -42.384 1.00 0.00 C ATOM 1362 CG LYS A 84 -15.529 -1.748 -42.067 1.00 0.00 C ATOM 1363 CD LYS A 84 -16.953 -1.450 -42.526 1.00 0.00 C ATOM 1364 CE LYS A 84 -17.058 -1.374 -44.042 1.00 0.00 C ATOM 1365 NZ LYS A 84 -16.230 -0.272 -44.602 1.00 0.00 N1+ ATOM 0 H LYS A 84 -13.011 -2.509 -43.568 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.621 -3.187 -40.852 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.155 -3.330 -43.463 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.836 -3.865 -41.939 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.451 -1.577 -40.993 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.840 -1.056 -42.551 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.624 -2.225 -42.154 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -17.284 -0.507 -42.092 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -16.741 -2.322 -44.476 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -18.100 -1.226 -44.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.550 -0.053 -45.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.328 0.574 -44.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.232 -0.565 -44.626 1.00 0.00 H new ATOM 1379 N ASP A 85 -12.970 -5.564 -42.973 1.00 0.00 N ATOM 1380 CA ASP A 85 -12.747 -7.006 -43.125 1.00 0.00 C ATOM 1381 C ASP A 85 -11.810 -7.550 -42.062 1.00 0.00 C ATOM 1382 O ASP A 85 -12.030 -8.637 -41.525 1.00 0.00 O ATOM 1383 CB ASP A 85 -12.204 -7.333 -44.517 1.00 0.00 C ATOM 1384 CG ASP A 85 -13.250 -7.197 -45.598 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -13.877 -8.216 -45.953 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -13.459 -6.070 -46.094 1.00 0.00 O1- ATOM 0 H ASP A 85 -12.681 -5.009 -43.779 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.715 -7.491 -43.000 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.368 -6.671 -44.741 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.814 -8.351 -44.520 1.00 0.00 H new ATOM 1391 N SER A 86 -10.766 -6.806 -41.765 1.00 0.00 N ATOM 1392 CA SER A 86 -9.801 -7.219 -40.763 1.00 0.00 C ATOM 1393 C SER A 86 -10.375 -7.108 -39.357 1.00 0.00 C ATOM 1394 O SER A 86 -10.025 -7.886 -38.482 1.00 0.00 O ATOM 1395 CB SER A 86 -8.528 -6.393 -40.877 1.00 0.00 C ATOM 1396 OG SER A 86 -8.034 -6.429 -42.198 1.00 0.00 O ATOM 0 H SER A 86 -10.562 -5.908 -42.204 1.00 0.00 H new ATOM 0 HA SER A 86 -9.562 -8.266 -40.947 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.729 -5.362 -40.585 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.775 -6.778 -40.190 1.00 0.00 H new ATOM 0 HG SER A 86 -8.695 -6.036 -42.805 1.00 0.00 H new ATOM 1402 N LEU A 87 -11.282 -6.159 -39.156 1.00 0.00 N ATOM 1403 CA LEU A 87 -11.837 -5.896 -37.829 1.00 0.00 C ATOM 1404 C LEU A 87 -12.534 -7.117 -37.259 1.00 0.00 C ATOM 1405 O LEU A 87 -12.303 -7.485 -36.108 1.00 0.00 O ATOM 1406 CB LEU A 87 -12.817 -4.731 -37.887 1.00 0.00 C ATOM 1407 CG LEU A 87 -12.221 -3.384 -38.258 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -13.303 -2.320 -38.319 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -11.154 -2.997 -37.261 1.00 0.00 C ATOM 0 H LEU A 87 -11.650 -5.558 -39.893 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.004 -5.643 -37.173 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.598 -4.973 -38.608 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.300 -4.638 -36.914 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.766 -3.464 -39.245 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.857 -1.362 -38.586 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.044 -2.597 -39.069 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.786 -2.236 -37.346 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.733 -2.030 -37.536 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.593 -2.932 -36.265 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.365 -3.749 -37.262 1.00 0.00 H new ATOM 1421 N GLU A 88 -13.378 -7.742 -38.061 1.00 0.00 N ATOM 1422 CA GLU A 88 -14.106 -8.931 -37.633 1.00 0.00 C ATOM 1423 C GLU A 88 -13.141 -10.036 -37.197 1.00 0.00 C ATOM 1424 O GLU A 88 -13.312 -10.643 -36.132 1.00 0.00 O ATOM 1425 CB GLU A 88 -14.979 -9.434 -38.778 1.00 0.00 C ATOM 1426 CG GLU A 88 -15.898 -8.376 -39.362 1.00 0.00 C ATOM 1427 CD GLU A 88 -16.640 -8.870 -40.580 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -16.049 -8.866 -41.677 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -17.816 -9.273 -40.447 1.00 0.00 O1- ATOM 0 H GLU A 88 -13.579 -7.447 -39.017 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.732 -8.666 -36.781 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.336 -9.820 -39.569 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.582 -10.269 -38.422 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.616 -8.063 -38.604 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.312 -7.496 -39.628 1.00 0.00 H new ATOM 1436 N GLN A 89 -12.122 -10.274 -38.009 1.00 0.00 N ATOM 1437 CA GLN A 89 -11.138 -11.307 -37.710 1.00 0.00 C ATOM 1438 C GLN A 89 -10.278 -10.937 -36.501 1.00 0.00 C ATOM 1439 O GLN A 89 -10.117 -11.735 -35.582 1.00 0.00 O ATOM 1440 CB GLN A 89 -10.236 -11.547 -38.916 1.00 0.00 C ATOM 1441 CG GLN A 89 -9.068 -12.466 -38.610 1.00 0.00 C ATOM 1442 CD GLN A 89 -8.061 -12.536 -39.727 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -8.407 -12.433 -40.902 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -6.803 -12.681 -39.367 1.00 0.00 N ATOM 0 H GLN A 89 -11.954 -9.768 -38.878 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.688 -12.218 -37.474 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.827 -11.977 -39.725 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.855 -10.591 -39.273 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.571 -12.122 -37.703 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.446 -13.468 -38.407 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.561 -12.763 -38.379 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.070 -12.712 -40.076 1.00 0.00 H new ATOM 1453 N LEU A 90 -9.773 -9.710 -36.489 1.00 0.00 N ATOM 1454 CA LEU A 90 -8.877 -9.259 -35.430 1.00 0.00 C ATOM 1455 C LEU A 90 -9.566 -9.253 -34.083 1.00 0.00 C ATOM 1456 O LEU A 90 -8.962 -9.588 -33.074 1.00 0.00 O ATOM 1457 CB LEU A 90 -8.313 -7.871 -35.750 1.00 0.00 C ATOM 1458 CG LEU A 90 -7.388 -7.798 -36.968 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -7.019 -6.358 -37.270 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -6.135 -8.634 -36.742 1.00 0.00 C ATOM 0 H LEU A 90 -9.969 -9.007 -37.202 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.050 -9.967 -35.377 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.147 -7.187 -35.908 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.766 -7.511 -34.879 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.921 -8.205 -37.827 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.361 -6.325 -38.139 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.924 -5.787 -37.478 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.507 -5.926 -36.410 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.491 -8.569 -37.619 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.600 -8.259 -35.870 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.417 -9.674 -36.575 1.00 0.00 H new ATOM 1472 N LEU A 91 -10.837 -8.901 -34.073 1.00 0.00 N ATOM 1473 CA LEU A 91 -11.592 -8.865 -32.838 1.00 0.00 C ATOM 1474 C LEU A 91 -11.776 -10.278 -32.300 1.00 0.00 C ATOM 1475 O LEU A 91 -11.648 -10.521 -31.098 1.00 0.00 O ATOM 1476 CB LEU A 91 -12.951 -8.202 -33.048 1.00 0.00 C ATOM 1477 CG LEU A 91 -13.781 -7.994 -31.783 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -13.100 -7.012 -30.842 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -15.173 -7.519 -32.135 1.00 0.00 C ATOM 0 H LEU A 91 -11.366 -8.637 -34.904 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.034 -8.274 -32.112 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -12.794 -7.233 -33.523 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.528 -8.809 -33.745 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.863 -8.951 -31.269 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -13.711 -6.881 -29.949 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -12.121 -7.399 -30.559 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -12.979 -6.052 -31.343 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -15.750 -7.376 -31.222 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -15.109 -6.575 -32.676 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -15.664 -8.264 -32.762 1.00 0.00 H new ATOM 1491 N GLU A 92 -12.062 -11.207 -33.201 1.00 0.00 N ATOM 1492 CA GLU A 92 -12.260 -12.593 -32.825 1.00 0.00 C ATOM 1493 C GLU A 92 -10.947 -13.207 -32.331 1.00 0.00 C ATOM 1494 O GLU A 92 -10.930 -13.971 -31.357 1.00 0.00 O ATOM 1495 CB GLU A 92 -12.811 -13.390 -34.005 1.00 0.00 C ATOM 1496 CG GLU A 92 -13.708 -14.544 -33.595 1.00 0.00 C ATOM 1497 CD GLU A 92 -14.963 -14.074 -32.888 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -14.993 -14.084 -31.642 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -15.929 -13.686 -33.574 1.00 0.00 O1- ATOM 0 H GLU A 92 -12.162 -11.022 -34.199 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.985 -12.631 -32.012 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.372 -12.719 -34.656 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.978 -13.779 -34.590 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.985 -15.118 -34.479 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.155 -15.216 -32.939 1.00 0.00 H new ATOM 1506 N GLU A 93 -9.844 -12.867 -33.001 1.00 0.00 N ATOM 1507 CA GLU A 93 -8.528 -13.347 -32.592 1.00 0.00 C ATOM 1508 C GLU A 93 -8.144 -12.741 -31.246 1.00 0.00 C ATOM 1509 O GLU A 93 -7.547 -13.407 -30.401 1.00 0.00 O ATOM 1510 CB GLU A 93 -7.466 -13.021 -33.655 1.00 0.00 C ATOM 1511 CG GLU A 93 -7.747 -13.647 -35.015 1.00 0.00 C ATOM 1512 CD GLU A 93 -6.591 -13.503 -35.988 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -5.822 -14.474 -36.148 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -6.446 -12.431 -36.603 1.00 0.00 O1- ATOM 0 H GLU A 93 -9.838 -12.265 -33.824 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.575 -14.431 -32.489 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.400 -11.939 -33.770 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.494 -13.364 -33.301 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.972 -14.705 -34.882 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.635 -13.184 -35.445 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.517 -11.480 -31.047 1.00 0.00 N ATOM 1522 CA LEU A 94 -8.257 -10.784 -29.794 1.00 0.00 C ATOM 1523 C LEU A 94 -9.001 -11.442 -28.648 1.00 0.00 C ATOM 1524 O LEU A 94 -8.439 -11.666 -27.581 1.00 0.00 O ATOM 1525 CB LEU A 94 -8.685 -9.318 -29.887 1.00 0.00 C ATOM 1526 CG LEU A 94 -7.716 -8.375 -30.582 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -8.382 -7.034 -30.843 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -6.479 -8.188 -29.728 1.00 0.00 C ATOM 0 H LEU A 94 -9.004 -10.917 -31.744 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.184 -10.837 -29.607 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.640 -9.273 -30.410 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.857 -8.947 -28.877 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.424 -8.809 -31.538 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.677 -6.368 -31.341 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.255 -7.179 -31.479 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.692 -6.591 -29.896 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.788 -7.511 -30.231 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.763 -7.766 -28.764 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.994 -9.152 -29.573 1.00 0.00 H new ATOM 1540 N GLU A 95 -10.267 -11.746 -28.876 1.00 0.00 N ATOM 1541 CA GLU A 95 -11.104 -12.348 -27.857 1.00 0.00 C ATOM 1542 C GLU A 95 -10.567 -13.712 -27.426 1.00 0.00 C ATOM 1543 O GLU A 95 -10.506 -14.012 -26.233 1.00 0.00 O ATOM 1544 CB GLU A 95 -12.543 -12.462 -28.357 1.00 0.00 C ATOM 1545 CG GLU A 95 -13.549 -12.793 -27.271 1.00 0.00 C ATOM 1546 CD GLU A 95 -14.971 -12.700 -27.761 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -15.489 -11.572 -27.886 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -15.582 -13.751 -28.024 1.00 0.00 O1- ATOM 0 H GLU A 95 -10.739 -11.584 -29.765 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.089 -11.701 -26.980 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.829 -11.522 -28.828 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.589 -13.232 -29.128 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.360 -13.800 -26.899 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.411 -12.112 -26.431 1.00 0.00 H new ATOM 1555 N GLN A 96 -10.157 -14.527 -28.390 1.00 0.00 N ATOM 1556 CA GLN A 96 -9.632 -15.849 -28.081 1.00 0.00 C ATOM 1557 C GLN A 96 -8.278 -15.743 -27.375 1.00 0.00 C ATOM 1558 O GLN A 96 -7.981 -16.513 -26.467 1.00 0.00 O ATOM 1559 CB GLN A 96 -9.522 -16.704 -29.346 1.00 0.00 C ATOM 1560 CG GLN A 96 -9.225 -18.173 -29.069 1.00 0.00 C ATOM 1561 CD GLN A 96 -10.244 -18.813 -28.135 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -11.411 -18.415 -28.095 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -9.813 -19.801 -27.378 1.00 0.00 N ATOM 0 H GLN A 96 -10.178 -14.298 -29.384 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.331 -16.340 -27.404 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.454 -16.630 -29.906 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.736 -16.297 -29.982 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.208 -18.720 -30.012 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.231 -18.262 -28.631 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.841 -20.103 -27.438 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -10.452 -20.264 -26.731 1.00 0.00 H new ATOM 1572 N ALA A 97 -7.472 -14.774 -27.794 1.00 0.00 N ATOM 1573 CA ALA A 97 -6.167 -14.541 -27.175 1.00 0.00 C ATOM 1574 C ALA A 97 -6.358 -14.054 -25.743 1.00 0.00 C ATOM 1575 O ALA A 97 -5.605 -14.419 -24.839 1.00 0.00 O ATOM 1576 CB ALA A 97 -5.359 -13.537 -27.985 1.00 0.00 C ATOM 0 H ALA A 97 -7.696 -14.137 -28.558 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.611 -15.478 -27.157 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.392 -13.378 -27.507 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.207 -13.922 -28.993 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.899 -12.591 -28.035 1.00 0.00 H new ATOM 1582 N LEU A 98 -7.392 -13.246 -25.553 1.00 0.00 N ATOM 1583 CA LEU A 98 -7.757 -12.737 -24.240 1.00 0.00 C ATOM 1584 C LEU A 98 -8.125 -13.898 -23.325 1.00 0.00 C ATOM 1585 O LEU A 98 -7.702 -13.961 -22.165 1.00 0.00 O ATOM 1586 CB LEU A 98 -8.928 -11.740 -24.371 1.00 0.00 C ATOM 1587 CG LEU A 98 -9.577 -11.249 -23.069 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -10.047 -9.817 -23.229 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -10.754 -12.139 -22.688 1.00 0.00 C ATOM 0 H LEU A 98 -8.001 -12.925 -26.306 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.909 -12.210 -23.802 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.571 -10.869 -24.920 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.702 -12.206 -24.980 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.832 -11.295 -22.275 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.506 -9.479 -22.300 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.196 -9.179 -23.467 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.778 -9.762 -24.036 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.201 -11.775 -21.763 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.499 -12.118 -23.484 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.405 -13.162 -22.545 1.00 0.00 H new ATOM 1601 N GLN A 99 -8.902 -14.826 -23.868 1.00 0.00 N ATOM 1602 CA GLN A 99 -9.312 -16.013 -23.141 1.00 0.00 C ATOM 1603 C GLN A 99 -8.115 -16.865 -22.747 1.00 0.00 C ATOM 1604 O GLN A 99 -8.138 -17.532 -21.711 1.00 0.00 O ATOM 1605 CB GLN A 99 -10.291 -16.840 -23.974 1.00 0.00 C ATOM 1606 CG GLN A 99 -11.667 -16.213 -24.108 1.00 0.00 C ATOM 1607 CD GLN A 99 -12.403 -16.145 -22.785 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -12.306 -15.158 -22.052 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -13.135 -17.197 -22.465 1.00 0.00 N ATOM 0 H GLN A 99 -9.263 -14.775 -24.821 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.809 -15.685 -22.228 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.871 -16.988 -24.969 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -10.394 -17.826 -23.522 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.567 -15.208 -24.517 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.258 -16.789 -24.820 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -13.188 -17.993 -23.100 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -13.647 -17.213 -21.583 1.00 0.00 H new ATOM 1618 N LYS A 100 -7.060 -16.845 -23.559 1.00 0.00 N ATOM 1619 CA LYS A 100 -5.866 -17.617 -23.262 1.00 0.00 C ATOM 1620 C LYS A 100 -5.108 -16.996 -22.103 1.00 0.00 C ATOM 1621 O LYS A 100 -4.638 -17.697 -21.209 1.00 0.00 O ATOM 1622 CB LYS A 100 -4.963 -17.708 -24.495 1.00 0.00 C ATOM 1623 CG LYS A 100 -5.609 -18.406 -25.679 1.00 0.00 C ATOM 1624 CD LYS A 100 -4.665 -18.477 -26.863 1.00 0.00 C ATOM 1625 CE LYS A 100 -5.356 -19.056 -28.086 1.00 0.00 C ATOM 1626 NZ LYS A 100 -4.435 -19.169 -29.244 1.00 0.00 N1+ ATOM 0 H LYS A 100 -7.012 -16.304 -24.422 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.172 -18.625 -22.980 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.670 -16.702 -24.794 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.050 -18.239 -24.226 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.909 -19.413 -25.390 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.516 -17.874 -25.966 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.290 -17.479 -27.092 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.801 -19.090 -26.606 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.756 -20.040 -27.844 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.203 -18.425 -28.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.947 -19.568 -30.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.072 -18.226 -29.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.640 -19.792 -28.996 1.00 0.00 H new ATOM 1640 N ILE A 101 -4.995 -15.670 -22.122 1.00 0.00 N ATOM 1641 CA ILE A 101 -4.300 -14.950 -21.066 1.00 0.00 C ATOM 1642 C ILE A 101 -4.992 -15.177 -19.732 1.00 0.00 C ATOM 1643 O ILE A 101 -4.345 -15.500 -18.740 1.00 0.00 O ATOM 1644 CB ILE A 101 -4.244 -13.433 -21.360 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -3.493 -13.184 -22.664 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -3.568 -12.690 -20.209 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -3.543 -11.754 -23.139 1.00 0.00 C ATOM 0 H ILE A 101 -5.377 -15.076 -22.858 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.280 -15.333 -21.022 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.262 -13.057 -21.460 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.451 -13.476 -22.532 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.909 -13.828 -23.439 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.537 -11.624 -20.433 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -4.132 -12.852 -19.290 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.552 -13.064 -20.082 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.986 -11.661 -24.071 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.580 -11.462 -23.305 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.100 -11.104 -22.384 1.00 0.00 H new ATOM 1659 N ARG A 102 -6.314 -15.031 -19.719 1.00 0.00 N ATOM 1660 CA ARG A 102 -7.094 -15.273 -18.514 1.00 0.00 C ATOM 1661 C ARG A 102 -6.938 -16.723 -18.048 1.00 0.00 C ATOM 1662 O ARG A 102 -6.843 -16.989 -16.854 1.00 0.00 O ATOM 1663 CB ARG A 102 -8.575 -14.924 -18.752 1.00 0.00 C ATOM 1664 CG ARG A 102 -9.512 -15.391 -17.646 1.00 0.00 C ATOM 1665 CD ARG A 102 -10.927 -14.864 -17.845 1.00 0.00 C ATOM 1666 NE ARG A 102 -11.091 -13.504 -17.320 1.00 0.00 N ATOM 1667 CZ ARG A 102 -12.206 -12.776 -17.445 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -13.225 -13.233 -18.171 1.00 0.00 N1+ ATOM 1669 NH2 ARG A 102 -12.295 -11.583 -16.848 1.00 0.00 N ATOM 0 H ARG A 102 -6.865 -14.747 -20.529 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.716 -14.626 -17.723 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.669 -13.843 -18.860 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.894 -15.368 -19.695 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.530 -16.481 -17.620 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.131 -15.056 -16.681 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.170 -14.873 -18.907 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.634 -15.530 -17.350 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.302 -13.086 -16.827 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.156 -14.140 -18.633 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.074 -12.676 -18.265 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.513 -11.229 -16.298 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -13.145 -11.027 -16.943 1.00 0.00 H new ATOM 1683 N GLU A 103 -6.889 -17.647 -18.999 1.00 0.00 N ATOM 1684 CA GLU A 103 -6.718 -19.063 -18.687 1.00 0.00 C ATOM 1685 C GLU A 103 -5.388 -19.299 -17.965 1.00 0.00 C ATOM 1686 O GLU A 103 -5.337 -19.979 -16.938 1.00 0.00 O ATOM 1687 CB GLU A 103 -6.766 -19.893 -19.978 1.00 0.00 C ATOM 1688 CG GLU A 103 -6.621 -21.396 -19.772 1.00 0.00 C ATOM 1689 CD GLU A 103 -7.806 -22.011 -19.059 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -8.800 -22.341 -19.733 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -7.744 -22.185 -17.824 1.00 0.00 O1- ATOM 0 H GLU A 103 -6.965 -17.442 -19.995 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.530 -19.373 -18.029 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.711 -19.699 -20.484 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.972 -19.552 -20.643 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.495 -21.880 -20.741 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.716 -21.593 -19.198 1.00 0.00 H new ATOM 1698 N LEU A 104 -4.325 -18.707 -18.488 1.00 0.00 N ATOM 1699 CA LEU A 104 -2.991 -18.866 -17.924 1.00 0.00 C ATOM 1700 C LEU A 104 -2.836 -18.101 -16.612 1.00 0.00 C ATOM 1701 O LEU A 104 -2.154 -18.560 -15.697 1.00 0.00 O ATOM 1702 CB LEU A 104 -1.945 -18.384 -18.930 1.00 0.00 C ATOM 1703 CG LEU A 104 -1.873 -19.172 -20.240 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -0.963 -18.471 -21.232 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -1.389 -20.594 -19.985 1.00 0.00 C ATOM 0 H LEU A 104 -4.361 -18.106 -19.311 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.842 -19.925 -17.712 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.149 -17.340 -19.166 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.966 -18.418 -18.453 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.875 -19.222 -20.666 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.923 -19.045 -22.158 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.351 -17.474 -21.440 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.040 -18.390 -20.812 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.345 -21.138 -20.929 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.396 -20.565 -19.536 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.079 -21.097 -19.308 1.00 0.00 H new ATOM 1717 N ALA A 105 -3.450 -16.933 -16.535 1.00 0.00 N ATOM 1718 CA ALA A 105 -3.358 -16.089 -15.348 1.00 0.00 C ATOM 1719 C ALA A 105 -4.191 -16.621 -14.183 1.00 0.00 C ATOM 1720 O ALA A 105 -3.787 -16.518 -13.027 1.00 0.00 O ATOM 1721 CB ALA A 105 -3.771 -14.665 -15.682 1.00 0.00 C ATOM 0 H ALA A 105 -4.022 -16.542 -17.284 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.316 -16.101 -15.028 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.698 -14.046 -14.788 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.113 -14.267 -16.454 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.799 -14.660 -16.044 1.00 0.00 H new