USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 719 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 75 LYS NZ :NH3+ 176:sc= 0.746 (180deg=-0.0936) USER MOD Set 1.2: A 85 ASN : amide:sc= 0.688 K(o=1.4,f=-0.9) USER MOD Set 2.1: A 38 HIS : no HE2:sc= -3.19! C(o=-1.9!,f=-9.3!) USER MOD Set 2.2: A 89 THR OG1 : rot -78:sc= 1.24 USER MOD Set 3.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 28 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=0) USER MOD Set 4.1: A 19 GLN : amide:sc= -0.021 K(o=1.1,f=-7.4!) USER MOD Set 4.2: A 23 ASN : amide:sc= -0.0057 K(o=1.1,f=-1.4!) USER MOD Set 4.3: A 62 LYS NZ :NH3+ -151:sc= 1.2 (180deg=0) USER MOD Set 4.4: A 66 MET CE :methyl -162:sc= -0.0752 (180deg=-0.466) USER MOD Single : A 9 LYS NZ :NH3+ -151:sc= 0.854 (180deg=0.325) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.15 USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= -0.0142 (180deg=-0.18) USER MOD Single : A 20 ASN : amide:sc= -0.434 X(o=-0.43,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= 1.6 (180deg=0.898) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 0.456 (180deg=0.41) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 37 LYS NZ :NH3+ -135:sc=-0.00423 (180deg=-1.09) USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= -0.068 (180deg=-0.326) USER MOD Single : A 50 MET CE :methyl -165:sc= -0.016 (180deg=-0.271) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 71:sc= 1.08 USER MOD Single : A 69 ASN : amide:sc= -0.537 K(o=-0.54,f=-6.8!) USER MOD Single : A 72 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.5) USER MOD Single : A 78 ASN : amide:sc= -0.0949 K(o=-0.095,f=-2.2) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -153:sc= -0.241 (180deg=-1.17) USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= 1.23 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 58 N ASP A 7 -11.262 -47.403 22.193 1.00 0.00 N ATOM 59 CA ASP A 7 -12.076 -46.647 23.126 1.00 0.00 C ATOM 60 C ASP A 7 -11.340 -46.520 24.438 1.00 0.00 C ATOM 61 O ASP A 7 -10.872 -47.514 24.994 1.00 0.00 O ATOM 62 CB ASP A 7 -13.422 -47.324 23.343 1.00 0.00 C ATOM 63 CG ASP A 7 -14.438 -46.404 23.987 1.00 0.00 C ATOM 64 OD1 ASP A 7 -14.518 -46.363 25.228 1.00 0.00 O ATOM 65 OD2 ASP A 7 -15.182 -45.725 23.237 1.00 0.00 O ATOM 0 HA ASP A 7 -12.261 -45.656 22.712 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -13.808 -47.672 22.385 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -13.285 -48.205 23.971 1.00 0.00 H new ATOM 70 N ILE A 8 -11.216 -45.317 24.923 1.00 0.00 N ATOM 71 CA ILE A 8 -10.448 -45.070 26.113 1.00 0.00 C ATOM 72 C ILE A 8 -11.304 -44.474 27.203 1.00 0.00 C ATOM 73 O ILE A 8 -12.065 -43.539 26.966 1.00 0.00 O ATOM 74 CB ILE A 8 -9.264 -44.146 25.796 1.00 0.00 C ATOM 75 CG1 ILE A 8 -8.393 -44.820 24.743 1.00 0.00 C ATOM 76 CG2 ILE A 8 -8.459 -43.826 27.055 1.00 0.00 C ATOM 77 CD1 ILE A 8 -7.259 -43.981 24.259 1.00 0.00 C ATOM 0 H ILE A 8 -11.640 -44.486 24.510 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.066 -46.025 26.474 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.636 -43.197 25.410 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.994 -45.746 25.156 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.017 -45.093 23.892 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.627 -43.170 26.798 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.102 -43.329 27.782 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.073 -44.750 27.485 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.690 -44.535 23.512 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.648 -43.065 23.813 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.609 -43.729 25.097 1.00 0.00 H new ATOM 89 N LYS A 9 -11.191 -45.028 28.393 1.00 0.00 N ATOM 90 CA LYS A 9 -11.962 -44.553 29.516 1.00 0.00 C ATOM 91 C LYS A 9 -11.118 -43.605 30.342 1.00 0.00 C ATOM 92 O LYS A 9 -9.983 -43.918 30.688 1.00 0.00 O ATOM 93 CB LYS A 9 -12.413 -45.725 30.386 1.00 0.00 C ATOM 94 CG LYS A 9 -13.153 -46.816 29.622 1.00 0.00 C ATOM 95 CD LYS A 9 -14.376 -46.275 28.908 1.00 0.00 C ATOM 96 CE LYS A 9 -15.100 -47.377 28.158 1.00 0.00 C ATOM 97 NZ LYS A 9 -16.256 -46.860 27.396 1.00 0.00 N ATOM 0 H LYS A 9 -10.570 -45.809 28.604 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.844 -44.032 29.143 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.539 -46.163 30.869 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.060 -45.348 31.178 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.480 -47.271 28.895 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.455 -47.603 30.313 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.051 -45.818 29.631 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.078 -45.491 28.211 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.406 -47.868 27.476 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.441 -48.134 28.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.979 -47.603 27.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.658 -46.038 27.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.945 -46.574 26.445 1.00 0.00 H new ATOM 111 N GLU A 10 -11.658 -42.462 30.655 1.00 0.00 N ATOM 112 CA GLU A 10 -10.938 -41.489 31.437 1.00 0.00 C ATOM 113 C GLU A 10 -11.524 -41.419 32.840 1.00 0.00 C ATOM 114 O GLU A 10 -12.540 -40.760 33.068 1.00 0.00 O ATOM 115 CB GLU A 10 -10.988 -40.119 30.760 1.00 0.00 C ATOM 116 CG GLU A 10 -10.425 -40.115 29.345 1.00 0.00 C ATOM 117 CD GLU A 10 -10.465 -38.751 28.705 1.00 0.00 C ATOM 118 OE1 GLU A 10 -11.520 -38.384 28.146 1.00 0.00 O ATOM 119 OE2 GLU A 10 -9.443 -38.036 28.748 1.00 0.00 O ATOM 0 H GLU A 10 -12.598 -42.177 30.381 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.894 -41.793 31.509 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.022 -39.775 30.731 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.431 -39.404 31.365 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.395 -40.471 29.368 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.991 -40.816 28.732 1.00 0.00 H new ATOM 126 N ILE A 11 -10.895 -42.117 33.762 1.00 0.00 N ATOM 127 CA ILE A 11 -11.349 -42.161 35.135 1.00 0.00 C ATOM 128 C ILE A 11 -10.726 -41.017 35.948 1.00 0.00 C ATOM 129 O ILE A 11 -9.506 -40.847 35.980 1.00 0.00 O ATOM 130 CB ILE A 11 -11.062 -43.555 35.783 1.00 0.00 C ATOM 131 CG1 ILE A 11 -11.918 -44.635 35.094 1.00 0.00 C ATOM 132 CG2 ILE A 11 -11.333 -43.535 37.289 1.00 0.00 C ATOM 133 CD1 ILE A 11 -11.635 -46.047 35.572 1.00 0.00 C ATOM 0 H ILE A 11 -10.056 -42.669 33.581 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.430 -42.022 35.141 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.007 -43.789 35.642 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -12.971 -44.410 35.262 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.749 -44.586 34.018 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -11.124 -44.519 37.709 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.691 -42.793 37.764 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.377 -43.279 37.467 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.278 -46.747 35.039 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.591 -46.294 35.379 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.833 -46.115 36.642 1.00 0.00 H new ATOM 145 N LYS A 12 -11.581 -40.226 36.582 1.00 0.00 N ATOM 146 CA LYS A 12 -11.153 -39.048 37.333 1.00 0.00 C ATOM 147 C LYS A 12 -11.016 -39.335 38.830 1.00 0.00 C ATOM 148 O LYS A 12 -11.770 -40.138 39.401 1.00 0.00 O ATOM 149 CB LYS A 12 -12.165 -37.912 37.155 1.00 0.00 C ATOM 150 CG LYS A 12 -11.786 -36.632 37.900 1.00 0.00 C ATOM 151 CD LYS A 12 -12.900 -35.610 37.847 1.00 0.00 C ATOM 152 CE LYS A 12 -12.512 -34.340 38.575 1.00 0.00 C ATOM 153 NZ LYS A 12 -13.636 -33.380 38.645 1.00 0.00 N ATOM 0 H LYS A 12 -12.589 -40.380 36.592 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.177 -38.763 36.940 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.264 -37.688 36.093 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.142 -38.249 37.502 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.557 -36.869 38.939 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.882 -36.209 37.463 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.136 -35.379 36.808 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.802 -36.028 38.294 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.181 -34.586 39.584 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.667 -33.874 38.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.330 -32.524 39.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.935 -33.125 37.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.433 -33.815 39.152 1.00 0.00 H new ATOM 167 N LEU A 13 -10.048 -38.680 39.451 1.00 0.00 N ATOM 168 CA LEU A 13 -9.863 -38.729 40.888 1.00 0.00 C ATOM 169 C LEU A 13 -9.593 -37.322 41.409 1.00 0.00 C ATOM 170 O LEU A 13 -9.516 -36.369 40.627 1.00 0.00 O ATOM 171 CB LEU A 13 -8.724 -39.677 41.292 1.00 0.00 C ATOM 172 CG LEU A 13 -8.948 -41.161 40.989 1.00 0.00 C ATOM 173 CD1 LEU A 13 -8.458 -41.516 39.593 1.00 0.00 C ATOM 174 CD2 LEU A 13 -8.277 -42.030 42.039 1.00 0.00 C ATOM 0 H LEU A 13 -9.366 -38.096 38.967 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.777 -39.121 41.334 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.814 -39.356 40.785 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.549 -39.567 42.362 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.020 -41.354 41.023 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.630 -42.576 39.406 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.001 -40.924 38.856 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.392 -41.302 39.516 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.448 -43.081 41.805 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.206 -41.830 42.046 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.695 -41.804 43.020 1.00 0.00 H new ATOM 186 N SER A 14 -9.465 -37.187 42.709 1.00 0.00 N ATOM 187 CA SER A 14 -9.199 -35.902 43.322 1.00 0.00 C ATOM 188 C SER A 14 -8.184 -36.058 44.442 1.00 0.00 C ATOM 189 O SER A 14 -8.040 -37.138 44.994 1.00 0.00 O ATOM 190 CB SER A 14 -10.502 -35.292 43.856 1.00 0.00 C ATOM 191 OG SER A 14 -11.229 -36.228 44.638 1.00 0.00 O ATOM 0 H SER A 14 -9.542 -37.960 43.370 1.00 0.00 H new ATOM 0 HA SER A 14 -8.785 -35.230 42.571 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.274 -34.412 44.458 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.118 -34.957 43.021 1.00 0.00 H new ATOM 0 HG SER A 14 -12.053 -35.811 44.966 1.00 0.00 H new ATOM 197 N VAL A 15 -7.482 -34.983 44.770 1.00 0.00 N ATOM 198 CA VAL A 15 -6.497 -35.011 45.846 1.00 0.00 C ATOM 199 C VAL A 15 -7.176 -35.366 47.166 1.00 0.00 C ATOM 200 O VAL A 15 -6.669 -36.170 47.949 1.00 0.00 O ATOM 201 CB VAL A 15 -5.733 -33.665 45.957 1.00 0.00 C ATOM 202 CG1 VAL A 15 -4.810 -33.655 47.168 1.00 0.00 C ATOM 203 CG2 VAL A 15 -4.937 -33.421 44.691 1.00 0.00 C ATOM 0 H VAL A 15 -7.575 -34.079 44.307 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.760 -35.779 45.612 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.463 -32.866 46.085 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.288 -32.699 47.220 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.398 -33.797 48.075 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.082 -34.461 47.078 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.402 -32.475 44.774 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.221 -34.231 44.549 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.614 -33.382 43.838 1.00 0.00 H new ATOM 213 N LYS A 16 -8.330 -34.772 47.399 1.00 0.00 N ATOM 214 CA LYS A 16 -9.113 -35.083 48.566 1.00 0.00 C ATOM 215 C LYS A 16 -10.151 -36.131 48.199 1.00 0.00 C ATOM 216 O LYS A 16 -11.320 -35.820 47.962 1.00 0.00 O ATOM 217 CB LYS A 16 -9.787 -33.830 49.127 1.00 0.00 C ATOM 218 CG LYS A 16 -8.809 -32.793 49.647 1.00 0.00 C ATOM 219 CD LYS A 16 -9.535 -31.575 50.180 1.00 0.00 C ATOM 220 CE LYS A 16 -8.563 -30.511 50.655 1.00 0.00 C ATOM 221 NZ LYS A 16 -7.689 -31.001 51.757 1.00 0.00 N ATOM 0 H LYS A 16 -8.743 -34.068 46.788 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.456 -35.475 49.343 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.401 -33.379 48.348 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.459 -34.120 49.935 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.197 -33.230 50.437 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.131 -32.495 48.847 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.176 -31.162 49.401 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.185 -31.869 51.004 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.944 -30.187 49.819 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.120 -29.638 50.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.162 -30.202 52.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.275 -31.441 52.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.019 -31.702 51.383 1.00 0.00 H new ATOM 235 N ILE A 17 -9.693 -37.356 48.080 1.00 0.00 N ATOM 236 CA ILE A 17 -10.550 -38.472 47.723 1.00 0.00 C ATOM 237 C ILE A 17 -10.447 -39.594 48.750 1.00 0.00 C ATOM 238 O ILE A 17 -9.409 -39.773 49.388 1.00 0.00 O ATOM 239 CB ILE A 17 -10.190 -39.024 46.317 1.00 0.00 C ATOM 240 CG1 ILE A 17 -11.270 -39.985 45.810 1.00 0.00 C ATOM 241 CG2 ILE A 17 -8.831 -39.716 46.343 1.00 0.00 C ATOM 242 CD1 ILE A 17 -11.097 -40.373 44.360 1.00 0.00 C ATOM 0 H ILE A 17 -8.716 -37.611 48.227 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.575 -38.100 47.707 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.137 -38.180 45.629 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.260 -40.886 46.423 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.248 -39.522 45.940 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.597 -40.096 45.348 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.065 -39.003 46.648 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.858 -40.545 47.051 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.896 -41.055 44.068 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.136 -39.479 43.737 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.134 -40.865 44.228 1.00 0.00 H new ATOM 254 N ALA A 18 -11.538 -40.311 48.932 1.00 0.00 N ATOM 255 CA ALA A 18 -11.572 -41.444 49.837 1.00 0.00 C ATOM 256 C ALA A 18 -10.840 -42.635 49.218 1.00 0.00 C ATOM 257 O ALA A 18 -10.943 -42.873 48.012 1.00 0.00 O ATOM 258 CB ALA A 18 -13.015 -41.813 50.154 1.00 0.00 C ATOM 0 H ALA A 18 -12.423 -40.126 48.459 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.068 -41.172 50.765 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.032 -42.665 50.834 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.513 -40.964 50.623 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.535 -42.075 49.232 1.00 0.00 H new ATOM 264 N GLN A 19 -10.119 -43.387 50.041 1.00 0.00 N ATOM 265 CA GLN A 19 -9.367 -44.552 49.566 1.00 0.00 C ATOM 266 C GLN A 19 -10.307 -45.628 49.032 1.00 0.00 C ATOM 267 O GLN A 19 -9.980 -46.340 48.083 1.00 0.00 O ATOM 268 CB GLN A 19 -8.484 -45.122 50.678 1.00 0.00 C ATOM 269 CG GLN A 19 -7.679 -46.338 50.250 1.00 0.00 C ATOM 270 CD GLN A 19 -6.724 -46.031 49.114 1.00 0.00 C ATOM 271 OE1 GLN A 19 -6.191 -44.927 49.017 1.00 0.00 O ATOM 272 NE2 GLN A 19 -6.517 -46.996 48.237 1.00 0.00 N ATOM 0 H GLN A 19 -10.036 -43.214 51.043 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.724 -44.222 48.750 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.800 -44.346 51.022 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.112 -45.392 51.527 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.115 -46.715 51.103 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.361 -47.131 49.943 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.978 -47.898 48.353 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.896 -46.839 47.443 1.00 0.00 H new ATOM 281 N ASN A 20 -11.470 -45.726 49.643 1.00 0.00 N ATOM 282 CA ASN A 20 -12.488 -46.677 49.228 1.00 0.00 C ATOM 283 C ASN A 20 -12.900 -46.387 47.787 1.00 0.00 C ATOM 284 O ASN A 20 -13.077 -47.302 46.978 1.00 0.00 O ATOM 285 CB ASN A 20 -13.702 -46.568 50.167 1.00 0.00 C ATOM 286 CG ASN A 20 -14.868 -47.470 49.780 1.00 0.00 C ATOM 287 OD1 ASN A 20 -16.032 -47.100 49.957 1.00 0.00 O ATOM 288 ND2 ASN A 20 -14.577 -48.658 49.286 1.00 0.00 N ATOM 0 H ASN A 20 -11.739 -45.150 50.441 1.00 0.00 H new ATOM 0 HA ASN A 20 -12.091 -47.691 49.281 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.387 -46.814 51.181 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.045 -45.534 50.182 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.326 -49.304 49.037 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.603 -48.930 49.153 1.00 0.00 H new ATOM 295 N ASP A 21 -13.024 -45.106 47.473 1.00 0.00 N ATOM 296 CA ASP A 21 -13.385 -44.676 46.135 1.00 0.00 C ATOM 297 C ASP A 21 -12.270 -45.018 45.140 1.00 0.00 C ATOM 298 O ASP A 21 -12.539 -45.440 44.013 1.00 0.00 O ATOM 299 CB ASP A 21 -13.682 -43.177 46.127 1.00 0.00 C ATOM 300 CG ASP A 21 -14.348 -42.724 44.849 1.00 0.00 C ATOM 301 OD1 ASP A 21 -15.521 -43.091 44.629 1.00 0.00 O ATOM 302 OD2 ASP A 21 -13.719 -41.985 44.074 1.00 0.00 O ATOM 0 H ASP A 21 -12.878 -44.343 48.134 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.285 -45.207 45.827 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.324 -42.933 46.973 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.752 -42.625 46.263 1.00 0.00 H new ATOM 307 N ILE A 22 -11.013 -44.850 45.577 1.00 0.00 N ATOM 308 CA ILE A 22 -9.847 -45.186 44.748 1.00 0.00 C ATOM 309 C ILE A 22 -9.830 -46.678 44.441 1.00 0.00 C ATOM 310 O ILE A 22 -9.628 -47.093 43.294 1.00 0.00 O ATOM 311 CB ILE A 22 -8.511 -44.831 45.460 1.00 0.00 C ATOM 312 CG1 ILE A 22 -8.477 -43.360 45.868 1.00 0.00 C ATOM 313 CG2 ILE A 22 -7.318 -45.165 44.566 1.00 0.00 C ATOM 314 CD1 ILE A 22 -7.240 -42.983 46.666 1.00 0.00 C ATOM 0 H ILE A 22 -10.778 -44.484 46.500 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.933 -44.602 43.831 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.446 -45.434 46.366 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.525 -42.741 44.972 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.364 -43.134 46.459 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.393 -44.909 45.083 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.322 -46.231 44.336 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.386 -44.594 43.640 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.281 -41.924 46.923 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.201 -43.577 47.579 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.349 -43.177 46.069 1.00 0.00 H new ATOM 326 N ASN A 23 -10.066 -47.470 45.476 1.00 0.00 N ATOM 327 CA ASN A 23 -10.060 -48.929 45.375 1.00 0.00 C ATOM 328 C ASN A 23 -11.115 -49.422 44.410 1.00 0.00 C ATOM 329 O ASN A 23 -10.881 -50.333 43.617 1.00 0.00 O ATOM 330 CB ASN A 23 -10.317 -49.542 46.742 1.00 0.00 C ATOM 331 CG ASN A 23 -9.083 -49.560 47.635 1.00 0.00 C ATOM 332 OD1 ASN A 23 -7.953 -49.595 47.156 1.00 0.00 O ATOM 333 ND2 ASN A 23 -9.296 -49.538 48.939 1.00 0.00 N ATOM 0 H ASN A 23 -10.268 -47.122 46.413 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.081 -49.231 45.004 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.109 -48.983 47.240 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.679 -50.562 46.613 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.507 -49.550 49.585 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.250 -49.509 49.300 1.00 0.00 H new ATOM 340 N TYR A 24 -12.271 -48.831 44.494 1.00 0.00 N ATOM 341 CA TYR A 24 -13.361 -49.159 43.617 1.00 0.00 C ATOM 342 C TYR A 24 -13.009 -48.831 42.155 1.00 0.00 C ATOM 343 O TYR A 24 -13.262 -49.630 41.247 1.00 0.00 O ATOM 344 CB TYR A 24 -14.603 -48.406 44.081 1.00 0.00 C ATOM 345 CG TYR A 24 -15.788 -48.499 43.161 1.00 0.00 C ATOM 346 CD1 TYR A 24 -16.593 -49.617 43.166 1.00 0.00 C ATOM 347 CD2 TYR A 24 -16.103 -47.464 42.296 1.00 0.00 C ATOM 348 CE1 TYR A 24 -17.689 -49.713 42.335 1.00 0.00 C ATOM 349 CE2 TYR A 24 -17.197 -47.547 41.456 1.00 0.00 C ATOM 350 CZ TYR A 24 -17.986 -48.674 41.480 1.00 0.00 C ATOM 351 OH TYR A 24 -19.078 -48.762 40.650 1.00 0.00 O ATOM 0 H TYR A 24 -12.487 -48.104 45.176 1.00 0.00 H new ATOM 0 HA TYR A 24 -13.559 -50.230 43.657 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -14.893 -48.785 45.061 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.344 -47.355 44.209 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -16.361 -50.434 43.834 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.484 -46.579 42.278 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -18.310 -50.596 42.354 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -17.431 -46.733 40.786 1.00 0.00 H new ATOM 0 HH TYR A 24 -19.147 -47.946 40.112 1.00 0.00 H new ATOM 361 N LYS A 25 -12.417 -47.661 41.944 1.00 0.00 N ATOM 362 CA LYS A 25 -12.046 -47.208 40.612 1.00 0.00 C ATOM 363 C LYS A 25 -10.969 -48.075 39.951 1.00 0.00 C ATOM 364 O LYS A 25 -11.065 -48.373 38.758 1.00 0.00 O ATOM 365 CB LYS A 25 -11.659 -45.734 40.637 1.00 0.00 C ATOM 366 CG LYS A 25 -12.855 -44.837 40.875 1.00 0.00 C ATOM 367 CD LYS A 25 -12.480 -43.371 40.994 1.00 0.00 C ATOM 368 CE LYS A 25 -13.724 -42.511 41.137 1.00 0.00 C ATOM 369 NZ LYS A 25 -13.398 -41.099 41.445 1.00 0.00 N ATOM 0 H LYS A 25 -12.182 -47.004 42.688 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.929 -47.321 39.982 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.919 -45.567 41.420 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.188 -45.467 39.691 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.564 -44.960 40.056 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.363 -45.152 41.786 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.829 -43.225 41.856 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.917 -43.062 40.114 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.302 -42.555 40.214 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.355 -42.917 41.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.175 -40.486 41.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.268 -40.989 42.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.522 -40.830 40.954 1.00 0.00 H new ATOM 383 N VAL A 26 -9.949 -48.487 40.711 1.00 0.00 N ATOM 384 CA VAL A 26 -8.907 -49.356 40.146 1.00 0.00 C ATOM 385 C VAL A 26 -9.476 -50.709 39.720 1.00 0.00 C ATOM 386 O VAL A 26 -8.967 -51.337 38.790 1.00 0.00 O ATOM 387 CB VAL A 26 -7.679 -49.571 41.076 1.00 0.00 C ATOM 388 CG1 VAL A 26 -6.774 -48.349 41.088 1.00 0.00 C ATOM 389 CG2 VAL A 26 -8.099 -49.942 42.485 1.00 0.00 C ATOM 0 H VAL A 26 -9.822 -48.242 41.693 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.544 -48.818 39.270 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.113 -50.409 40.669 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.925 -48.531 41.747 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.414 -48.153 40.078 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.334 -47.485 41.447 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.213 -50.084 43.103 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.710 -49.143 42.905 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.676 -50.866 42.461 1.00 0.00 H new ATOM 399 N LYS A 27 -10.539 -51.149 40.394 1.00 0.00 N ATOM 400 CA LYS A 27 -11.206 -52.393 40.029 1.00 0.00 C ATOM 401 C LYS A 27 -11.727 -52.319 38.601 1.00 0.00 C ATOM 402 O LYS A 27 -11.467 -53.200 37.787 1.00 0.00 O ATOM 403 CB LYS A 27 -12.367 -52.675 40.981 1.00 0.00 C ATOM 404 CG LYS A 27 -13.181 -53.904 40.608 1.00 0.00 C ATOM 405 CD LYS A 27 -14.330 -54.120 41.575 1.00 0.00 C ATOM 406 CE LYS A 27 -15.167 -55.328 41.180 1.00 0.00 C ATOM 407 NZ LYS A 27 -15.928 -55.092 39.922 1.00 0.00 N ATOM 0 H LYS A 27 -10.952 -50.664 41.190 1.00 0.00 H new ATOM 0 HA LYS A 27 -10.479 -53.202 40.102 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.975 -52.803 41.990 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.026 -51.807 41.003 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.571 -53.791 39.596 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.536 -54.783 40.605 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.938 -54.260 42.583 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.960 -53.231 41.599 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.517 -56.194 41.053 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.862 -55.566 41.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.561 -55.897 39.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.491 -54.223 40.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.264 -54.991 39.128 1.00 0.00 H new ATOM 421 N HIS A 28 -12.435 -51.248 38.298 1.00 0.00 N ATOM 422 CA HIS A 28 -12.963 -51.048 36.970 1.00 0.00 C ATOM 423 C HIS A 28 -11.862 -50.796 35.976 1.00 0.00 C ATOM 424 O HIS A 28 -11.930 -51.260 34.840 1.00 0.00 O ATOM 425 CB HIS A 28 -14.000 -49.933 36.947 1.00 0.00 C ATOM 426 CG HIS A 28 -15.329 -50.370 37.466 1.00 0.00 C ATOM 427 ND1 HIS A 28 -15.697 -50.277 38.790 1.00 0.00 N ATOM 428 CD2 HIS A 28 -16.380 -50.929 36.826 1.00 0.00 C ATOM 429 CE1 HIS A 28 -16.916 -50.764 38.940 1.00 0.00 C ATOM 430 NE2 HIS A 28 -17.352 -51.165 37.765 1.00 0.00 N ATOM 0 H HIS A 28 -12.656 -50.503 38.959 1.00 0.00 H new ATOM 0 HA HIS A 28 -13.467 -51.968 36.674 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.639 -49.095 37.544 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -14.115 -49.571 35.925 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -16.443 -51.149 35.771 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -17.462 -50.823 39.870 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -18.264 -51.583 37.582 1.00 0.00 H new ATOM 438 N ALA A 29 -10.835 -50.077 36.413 1.00 0.00 N ATOM 439 CA ALA A 29 -9.693 -49.790 35.566 1.00 0.00 C ATOM 440 C ALA A 29 -9.086 -51.085 35.055 1.00 0.00 C ATOM 441 O ALA A 29 -8.808 -51.220 33.872 1.00 0.00 O ATOM 442 CB ALA A 29 -8.654 -48.984 36.332 1.00 0.00 C ATOM 0 H ALA A 29 -10.774 -49.683 37.352 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.028 -49.199 34.714 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.803 -48.777 35.683 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.095 -48.044 36.664 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.319 -49.553 37.199 1.00 0.00 H new ATOM 448 N LEU A 30 -8.918 -52.047 35.957 1.00 0.00 N ATOM 449 CA LEU A 30 -8.376 -53.351 35.599 1.00 0.00 C ATOM 450 C LEU A 30 -9.286 -54.070 34.611 1.00 0.00 C ATOM 451 O LEU A 30 -8.815 -54.642 33.630 1.00 0.00 O ATOM 452 CB LEU A 30 -8.189 -54.219 36.849 1.00 0.00 C ATOM 453 CG LEU A 30 -7.086 -53.781 37.814 1.00 0.00 C ATOM 454 CD1 LEU A 30 -7.157 -54.582 39.100 1.00 0.00 C ATOM 455 CD2 LEU A 30 -5.719 -53.955 37.169 1.00 0.00 C ATOM 0 H LEU A 30 -9.151 -51.946 36.945 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.407 -53.188 35.127 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.132 -54.243 37.394 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.980 -55.240 36.530 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.234 -52.727 38.049 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.365 -54.257 39.775 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.126 -54.424 39.574 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.031 -55.641 38.876 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.944 -53.639 37.868 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.569 -55.003 36.911 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.663 -53.347 36.266 1.00 0.00 H new ATOM 467 N GLU A 31 -10.596 -54.008 34.854 1.00 0.00 N ATOM 468 CA GLU A 31 -11.559 -54.696 34.009 1.00 0.00 C ATOM 469 C GLU A 31 -11.557 -54.140 32.579 1.00 0.00 C ATOM 470 O GLU A 31 -11.659 -54.899 31.619 1.00 0.00 O ATOM 471 CB GLU A 31 -12.964 -54.630 34.622 1.00 0.00 C ATOM 472 CG GLU A 31 -13.072 -55.329 35.973 1.00 0.00 C ATOM 473 CD GLU A 31 -14.489 -55.355 36.527 1.00 0.00 C ATOM 474 OE1 GLU A 31 -14.891 -54.398 37.227 1.00 0.00 O ATOM 475 OE2 GLU A 31 -15.205 -56.355 36.281 1.00 0.00 O ATOM 0 H GLU A 31 -11.009 -53.488 35.629 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.259 -55.742 33.951 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.252 -53.585 34.738 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.675 -55.082 33.930 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.709 -56.352 35.875 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.420 -54.827 36.687 1.00 0.00 H new ATOM 482 N PHE A 32 -11.442 -52.822 32.440 1.00 0.00 N ATOM 483 CA PHE A 32 -11.365 -52.213 31.110 1.00 0.00 C ATOM 484 C PHE A 32 -10.056 -52.571 30.417 1.00 0.00 C ATOM 485 O PHE A 32 -10.008 -52.727 29.196 1.00 0.00 O ATOM 486 CB PHE A 32 -11.572 -50.692 31.146 1.00 0.00 C ATOM 487 CG PHE A 32 -12.993 -50.292 31.441 1.00 0.00 C ATOM 488 CD1 PHE A 32 -13.957 -50.358 30.449 1.00 0.00 C ATOM 489 CD2 PHE A 32 -13.369 -49.864 32.701 1.00 0.00 C ATOM 490 CE1 PHE A 32 -15.265 -50.003 30.707 1.00 0.00 C ATOM 491 CE2 PHE A 32 -14.678 -49.507 32.967 1.00 0.00 C ATOM 492 CZ PHE A 32 -15.626 -49.576 31.967 1.00 0.00 C ATOM 0 H PHE A 32 -11.400 -52.162 33.217 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.187 -52.629 30.527 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.916 -50.261 31.902 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -11.274 -50.269 30.187 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -13.681 -50.692 29.460 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -12.631 -49.808 33.487 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -16.005 -50.060 29.923 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -14.958 -49.175 33.956 1.00 0.00 H new ATOM 0 HZ PHE A 32 -16.649 -49.296 32.171 1.00 0.00 H new ATOM 502 N LEU A 33 -8.991 -52.690 31.201 1.00 0.00 N ATOM 503 CA LEU A 33 -7.693 -53.091 30.671 1.00 0.00 C ATOM 504 C LEU A 33 -7.789 -54.506 30.114 1.00 0.00 C ATOM 505 O LEU A 33 -7.228 -54.820 29.067 1.00 0.00 O ATOM 506 CB LEU A 33 -6.616 -53.019 31.758 1.00 0.00 C ATOM 507 CG LEU A 33 -6.300 -51.622 32.289 1.00 0.00 C ATOM 508 CD1 LEU A 33 -5.292 -51.696 33.421 1.00 0.00 C ATOM 509 CD2 LEU A 33 -5.795 -50.722 31.173 1.00 0.00 C ATOM 0 H LEU A 33 -9.000 -52.515 32.206 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.411 -52.406 29.872 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.929 -53.643 32.595 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.698 -53.453 31.363 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.221 -51.189 32.681 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.080 -50.691 33.786 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.700 -52.298 34.233 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.371 -52.152 33.059 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.576 -49.732 31.574 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.888 -51.148 30.744 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.558 -50.639 30.399 1.00 0.00 H new ATOM 521 N GLU A 34 -8.518 -55.349 30.826 1.00 0.00 N ATOM 522 CA GLU A 34 -8.770 -56.726 30.415 1.00 0.00 C ATOM 523 C GLU A 34 -9.515 -56.760 29.073 1.00 0.00 C ATOM 524 O GLU A 34 -9.477 -57.755 28.353 1.00 0.00 O ATOM 525 CB GLU A 34 -9.594 -57.455 31.483 1.00 0.00 C ATOM 526 CG GLU A 34 -8.915 -57.531 32.840 1.00 0.00 C ATOM 527 CD GLU A 34 -9.718 -58.299 33.870 1.00 0.00 C ATOM 528 OE1 GLU A 34 -10.925 -58.022 34.032 1.00 0.00 O ATOM 529 OE2 GLU A 34 -9.140 -59.189 34.531 1.00 0.00 O ATOM 0 H GLU A 34 -8.956 -55.098 31.712 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.811 -57.230 30.297 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.553 -56.949 31.596 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.806 -58.467 31.137 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.939 -58.003 32.724 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.738 -56.520 33.207 1.00 0.00 H new ATOM 536 N GLN A 35 -10.194 -55.668 28.762 1.00 0.00 N ATOM 537 CA GLN A 35 -10.920 -55.526 27.513 1.00 0.00 C ATOM 538 C GLN A 35 -9.988 -55.035 26.401 1.00 0.00 C ATOM 539 O GLN A 35 -10.380 -54.953 25.234 1.00 0.00 O ATOM 540 CB GLN A 35 -12.070 -54.546 27.706 1.00 0.00 C ATOM 541 CG GLN A 35 -13.087 -55.015 28.723 1.00 0.00 C ATOM 542 CD GLN A 35 -14.184 -54.007 28.964 1.00 0.00 C ATOM 543 OE1 GLN A 35 -14.587 -53.276 28.059 1.00 0.00 O ATOM 544 NE2 GLN A 35 -14.664 -53.953 30.188 1.00 0.00 N ATOM 0 H GLN A 35 -10.257 -54.853 29.372 1.00 0.00 H new ATOM 0 HA GLN A 35 -11.317 -56.498 27.220 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.669 -53.582 28.020 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.568 -54.387 26.750 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.529 -55.951 28.382 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.581 -55.226 29.665 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.300 -54.578 30.907 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.400 -53.286 30.418 1.00 0.00 H new ATOM 553 N GLY A 36 -8.757 -54.704 26.775 1.00 0.00 N ATOM 554 CA GLY A 36 -7.785 -54.236 25.812 1.00 0.00 C ATOM 555 C GLY A 36 -7.859 -52.747 25.587 1.00 0.00 C ATOM 556 O GLY A 36 -7.375 -52.245 24.570 1.00 0.00 O ATOM 0 H GLY A 36 -8.416 -54.753 27.735 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.784 -54.498 26.155 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.942 -54.751 24.864 1.00 0.00 H new ATOM 560 N LYS A 37 -8.461 -52.029 26.525 1.00 0.00 N ATOM 561 CA LYS A 37 -8.595 -50.590 26.390 1.00 0.00 C ATOM 562 C LYS A 37 -7.638 -49.862 27.311 1.00 0.00 C ATOM 563 O LYS A 37 -6.985 -50.465 28.149 1.00 0.00 O ATOM 564 CB LYS A 37 -10.007 -50.127 26.701 1.00 0.00 C ATOM 565 CG LYS A 37 -11.076 -50.746 25.842 1.00 0.00 C ATOM 566 CD LYS A 37 -12.400 -50.081 26.105 1.00 0.00 C ATOM 567 CE LYS A 37 -13.546 -50.820 25.418 1.00 0.00 C ATOM 568 NZ LYS A 37 -13.365 -50.909 23.945 1.00 0.00 N ATOM 0 H LYS A 37 -8.860 -52.417 27.380 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.359 -50.354 25.352 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.226 -50.349 27.745 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.052 -49.044 26.589 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.812 -50.644 24.789 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.148 -51.813 26.051 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.582 -50.044 27.179 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.367 -49.050 25.751 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.626 -51.825 25.832 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.485 -50.310 25.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.261 -50.677 23.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.630 -50.238 23.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.078 -51.875 23.688 1.00 0.00 H new ATOM 582 N HIS A 38 -7.578 -48.560 27.146 1.00 0.00 N ATOM 583 CA HIS A 38 -6.751 -47.704 27.960 1.00 0.00 C ATOM 584 C HIS A 38 -7.590 -46.931 28.966 1.00 0.00 C ATOM 585 O HIS A 38 -8.736 -46.562 28.687 1.00 0.00 O ATOM 586 CB HIS A 38 -6.004 -46.709 27.078 1.00 0.00 C ATOM 587 CG HIS A 38 -4.692 -47.185 26.576 1.00 0.00 C ATOM 588 ND1 HIS A 38 -4.497 -47.740 25.328 1.00 0.00 N ATOM 589 CD2 HIS A 38 -3.493 -47.155 27.156 1.00 0.00 C ATOM 590 CE1 HIS A 38 -3.212 -48.025 25.183 1.00 0.00 C ATOM 591 NE2 HIS A 38 -2.590 -47.673 26.277 1.00 0.00 N ATOM 0 H HIS A 38 -8.110 -48.061 26.433 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.043 -48.336 28.496 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.634 -46.457 26.225 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.849 -45.789 27.642 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.224 -47.904 24.631 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.275 -46.786 28.147 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.757 -48.471 24.311 1.00 0.00 H new ATOM 599 N VAL A 39 -7.024 -46.703 30.135 1.00 0.00 N ATOM 600 CA VAL A 39 -7.660 -45.883 31.142 1.00 0.00 C ATOM 601 C VAL A 39 -6.784 -44.685 31.427 1.00 0.00 C ATOM 602 O VAL A 39 -5.600 -44.832 31.743 1.00 0.00 O ATOM 603 CB VAL A 39 -7.922 -46.656 32.469 1.00 0.00 C ATOM 604 CG1 VAL A 39 -8.287 -45.690 33.590 1.00 0.00 C ATOM 605 CG2 VAL A 39 -9.042 -47.657 32.294 1.00 0.00 C ATOM 0 H VAL A 39 -6.117 -47.079 30.410 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.629 -45.575 30.750 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.005 -47.184 32.731 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.466 -46.249 34.508 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.468 -44.988 33.747 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.188 -45.141 33.318 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.208 -48.185 33.233 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.954 -47.135 32.005 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.772 -48.373 31.518 1.00 0.00 H new ATOM 615 N ARG A 40 -7.354 -43.513 31.313 1.00 0.00 N ATOM 616 CA ARG A 40 -6.619 -42.299 31.557 1.00 0.00 C ATOM 617 C ARG A 40 -6.994 -41.768 32.915 1.00 0.00 C ATOM 618 O ARG A 40 -8.143 -41.390 33.143 1.00 0.00 O ATOM 619 CB ARG A 40 -6.938 -41.259 30.477 1.00 0.00 C ATOM 620 CG ARG A 40 -6.133 -39.973 30.577 1.00 0.00 C ATOM 621 CD ARG A 40 -6.533 -39.004 29.475 1.00 0.00 C ATOM 622 NE ARG A 40 -5.699 -37.800 29.442 1.00 0.00 N ATOM 623 CZ ARG A 40 -6.050 -36.662 28.819 1.00 0.00 C ATOM 624 NH1 ARG A 40 -7.265 -36.530 28.286 1.00 0.00 N ATOM 625 NH2 ARG A 40 -5.197 -35.647 28.753 1.00 0.00 N ATOM 0 H ARG A 40 -8.330 -43.374 31.051 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.549 -42.507 31.526 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.763 -41.706 29.498 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.999 -41.013 30.530 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.295 -39.511 31.551 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.069 -40.197 30.503 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.469 -39.511 28.512 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.575 -38.714 29.614 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.798 -37.827 29.920 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.936 -37.296 28.349 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.524 -35.663 27.815 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.272 -35.730 29.176 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.466 -34.785 28.280 1.00 0.00 H new ATOM 639 N PHE A 41 -6.043 -41.742 33.811 1.00 0.00 N ATOM 640 CA PHE A 41 -6.301 -41.259 35.146 1.00 0.00 C ATOM 641 C PHE A 41 -6.037 -39.782 35.199 1.00 0.00 C ATOM 642 O PHE A 41 -4.907 -39.330 34.977 1.00 0.00 O ATOM 643 CB PHE A 41 -5.442 -41.992 36.178 1.00 0.00 C ATOM 644 CG PHE A 41 -5.822 -43.430 36.367 1.00 0.00 C ATOM 645 CD1 PHE A 41 -6.900 -43.774 37.165 1.00 0.00 C ATOM 646 CD2 PHE A 41 -5.104 -44.438 35.750 1.00 0.00 C ATOM 647 CE1 PHE A 41 -7.254 -45.093 37.345 1.00 0.00 C ATOM 648 CE2 PHE A 41 -5.450 -45.760 35.928 1.00 0.00 C ATOM 649 CZ PHE A 41 -6.527 -46.089 36.726 1.00 0.00 C ATOM 0 H PHE A 41 -5.085 -42.048 33.644 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.345 -41.453 35.391 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -4.397 -41.939 35.872 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.520 -41.476 37.135 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.471 -42.998 37.653 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.263 -44.186 35.121 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.098 -45.347 37.969 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.879 -46.538 35.443 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.800 -47.124 36.866 1.00 0.00 H new ATOM 659 N ARG A 42 -7.078 -39.024 35.470 1.00 0.00 N ATOM 660 CA ARG A 42 -6.970 -37.587 35.503 1.00 0.00 C ATOM 661 C ARG A 42 -7.406 -37.086 36.861 1.00 0.00 C ATOM 662 O ARG A 42 -8.446 -37.500 37.378 1.00 0.00 O ATOM 663 CB ARG A 42 -7.864 -36.965 34.417 1.00 0.00 C ATOM 664 CG ARG A 42 -7.868 -37.739 33.104 1.00 0.00 C ATOM 665 CD ARG A 42 -8.702 -37.043 32.039 1.00 0.00 C ATOM 666 NE ARG A 42 -10.062 -36.745 32.512 1.00 0.00 N ATOM 667 CZ ARG A 42 -11.046 -36.266 31.740 1.00 0.00 C ATOM 668 NH1 ARG A 42 -10.878 -36.168 30.426 1.00 0.00 N ATOM 669 NH2 ARG A 42 -12.205 -35.920 32.278 1.00 0.00 N ATOM 0 H ARG A 42 -8.011 -39.384 35.671 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.935 -37.301 35.317 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.885 -36.901 34.793 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.530 -35.945 34.225 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.845 -37.853 32.747 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.260 -38.742 33.275 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.210 -36.117 31.742 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.757 -37.674 31.152 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.270 -36.915 33.496 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.997 -36.458 30.001 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.630 -35.803 29.842 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.350 -36.018 33.283 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.953 -35.555 31.688 1.00 0.00 H new ATOM 683 N VAL A 43 -6.627 -36.209 37.440 1.00 0.00 N ATOM 684 CA VAL A 43 -6.960 -35.661 38.727 1.00 0.00 C ATOM 685 C VAL A 43 -6.910 -34.148 38.683 1.00 0.00 C ATOM 686 O VAL A 43 -5.952 -33.557 38.177 1.00 0.00 O ATOM 687 CB VAL A 43 -6.033 -36.199 39.865 1.00 0.00 C ATOM 688 CG1 VAL A 43 -4.572 -35.992 39.543 1.00 0.00 C ATOM 689 CG2 VAL A 43 -6.375 -35.548 41.192 1.00 0.00 C ATOM 0 H VAL A 43 -5.757 -35.859 37.039 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.975 -35.985 38.959 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.209 -37.272 39.943 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.961 -36.379 40.359 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.324 -36.520 38.622 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.375 -34.928 39.416 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.717 -35.938 41.969 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.243 -34.469 41.113 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.411 -35.769 41.449 1.00 0.00 H new ATOM 699 N PHE A 44 -7.948 -33.529 39.187 1.00 0.00 N ATOM 700 CA PHE A 44 -8.023 -32.092 39.237 1.00 0.00 C ATOM 701 C PHE A 44 -7.775 -31.635 40.653 1.00 0.00 C ATOM 702 O PHE A 44 -8.389 -32.152 41.594 1.00 0.00 O ATOM 703 CB PHE A 44 -9.395 -31.611 38.750 1.00 0.00 C ATOM 704 CG PHE A 44 -9.562 -30.114 38.742 1.00 0.00 C ATOM 705 CD1 PHE A 44 -9.026 -29.351 37.717 1.00 0.00 C ATOM 706 CD2 PHE A 44 -10.265 -29.473 39.752 1.00 0.00 C ATOM 707 CE1 PHE A 44 -9.185 -27.977 37.697 1.00 0.00 C ATOM 708 CE2 PHE A 44 -10.426 -28.097 39.736 1.00 0.00 C ATOM 709 CZ PHE A 44 -9.885 -27.351 38.708 1.00 0.00 C ATOM 0 H PHE A 44 -8.763 -34.006 39.573 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.264 -31.665 38.581 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.562 -31.989 37.741 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.166 -32.047 39.385 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.477 -29.835 36.923 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -10.691 -30.052 40.558 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.762 -27.395 36.891 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -10.975 -27.608 40.527 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.010 -26.278 38.695 1.00 0.00 H new ATOM 719 N LEU A 45 -6.867 -30.698 40.816 1.00 0.00 N ATOM 720 CA LEU A 45 -6.565 -30.188 42.131 1.00 0.00 C ATOM 721 C LEU A 45 -7.720 -29.301 42.576 1.00 0.00 C ATOM 722 O LEU A 45 -8.121 -28.394 41.853 1.00 0.00 O ATOM 723 CB LEU A 45 -5.238 -29.419 42.114 1.00 0.00 C ATOM 724 CG LEU A 45 -4.045 -30.169 41.485 1.00 0.00 C ATOM 725 CD1 LEU A 45 -2.765 -29.391 41.660 1.00 0.00 C ATOM 726 CD2 LEU A 45 -3.894 -31.562 42.064 1.00 0.00 C ATOM 0 H LEU A 45 -6.329 -30.277 40.058 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.450 -31.008 42.839 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.386 -28.486 41.571 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.979 -29.153 43.139 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.251 -30.267 40.419 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.940 -29.941 41.208 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.861 -28.419 41.176 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.568 -29.249 42.723 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.044 -32.060 41.597 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.729 -31.493 43.139 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.801 -32.136 41.872 1.00 0.00 H new ATOM 738 N LYS A 46 -8.241 -29.571 43.765 1.00 0.00 N ATOM 739 CA LYS A 46 -9.457 -28.921 44.247 1.00 0.00 C ATOM 740 C LYS A 46 -9.308 -27.399 44.348 1.00 0.00 C ATOM 741 O LYS A 46 -10.196 -26.656 43.920 1.00 0.00 O ATOM 742 CB LYS A 46 -9.862 -29.518 45.592 1.00 0.00 C ATOM 743 CG LYS A 46 -11.194 -29.023 46.111 1.00 0.00 C ATOM 744 CD LYS A 46 -11.545 -29.675 47.432 1.00 0.00 C ATOM 745 CE LYS A 46 -12.897 -29.207 47.936 1.00 0.00 C ATOM 746 NZ LYS A 46 -12.966 -27.730 48.072 1.00 0.00 N ATOM 0 H LYS A 46 -7.838 -30.241 44.420 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.244 -29.107 43.516 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.901 -30.603 45.499 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.090 -29.289 46.327 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.159 -27.941 46.235 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.974 -29.235 45.379 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.554 -30.759 47.314 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.778 -29.441 48.171 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.675 -29.543 47.250 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.102 -29.669 48.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.812 -27.471 48.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.117 -27.387 48.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.018 -27.297 47.128 1.00 0.00 H new ATOM 760 N GLY A 47 -8.210 -26.938 44.918 1.00 0.00 N ATOM 761 CA GLY A 47 -7.981 -25.511 45.008 1.00 0.00 C ATOM 762 C GLY A 47 -6.769 -25.167 45.843 1.00 0.00 C ATOM 763 O GLY A 47 -5.815 -24.570 45.348 1.00 0.00 O ATOM 0 H GLY A 47 -7.475 -27.521 45.319 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.854 -25.103 44.005 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.861 -25.032 45.437 1.00 0.00 H new ATOM 767 N ARG A 48 -6.806 -25.540 47.108 1.00 0.00 N ATOM 768 CA ARG A 48 -5.706 -25.261 48.028 1.00 0.00 C ATOM 769 C ARG A 48 -4.452 -26.042 47.653 1.00 0.00 C ATOM 770 O ARG A 48 -3.335 -25.542 47.764 1.00 0.00 O ATOM 771 CB ARG A 48 -6.110 -25.540 49.483 1.00 0.00 C ATOM 772 CG ARG A 48 -7.087 -24.517 50.070 1.00 0.00 C ATOM 773 CD ARG A 48 -8.494 -24.654 49.501 1.00 0.00 C ATOM 774 NE ARG A 48 -9.395 -23.608 50.005 1.00 0.00 N ATOM 775 CZ ARG A 48 -10.733 -23.677 49.977 1.00 0.00 C ATOM 776 NH1 ARG A 48 -11.336 -24.774 49.528 1.00 0.00 N ATOM 777 NH2 ARG A 48 -11.461 -22.650 50.409 1.00 0.00 N ATOM 0 H ARG A 48 -7.589 -26.040 47.529 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.474 -24.199 47.942 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.561 -26.531 49.540 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.212 -25.563 50.100 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.124 -24.636 51.153 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.716 -23.511 49.872 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.452 -24.603 48.413 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -8.896 -25.634 49.759 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.972 -22.770 50.404 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.780 -25.565 49.204 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -12.355 -24.824 49.508 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.000 -21.811 50.761 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.479 -22.702 50.388 1.00 0.00 H new ATOM 791 N GLU A 49 -4.647 -27.267 47.200 1.00 0.00 N ATOM 792 CA GLU A 49 -3.550 -28.128 46.803 1.00 0.00 C ATOM 793 C GLU A 49 -3.048 -27.802 45.398 1.00 0.00 C ATOM 794 O GLU A 49 -2.071 -28.380 44.939 1.00 0.00 O ATOM 795 CB GLU A 49 -3.951 -29.596 46.884 1.00 0.00 C ATOM 796 CG GLU A 49 -5.228 -29.940 46.146 1.00 0.00 C ATOM 797 CD GLU A 49 -6.475 -29.578 46.918 1.00 0.00 C ATOM 798 OE1 GLU A 49 -6.941 -30.406 47.717 1.00 0.00 O ATOM 799 OE2 GLU A 49 -6.978 -28.457 46.735 1.00 0.00 O ATOM 0 H GLU A 49 -5.569 -27.692 47.097 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.735 -27.944 47.503 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.140 -30.204 46.483 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.067 -29.871 47.932 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.238 -29.421 45.188 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.239 -31.008 45.930 1.00 0.00 H new ATOM 806 N MET A 50 -3.715 -26.864 44.722 1.00 0.00 N ATOM 807 CA MET A 50 -3.338 -26.472 43.378 1.00 0.00 C ATOM 808 C MET A 50 -1.937 -25.852 43.350 1.00 0.00 C ATOM 809 O MET A 50 -1.286 -25.809 42.306 1.00 0.00 O ATOM 810 CB MET A 50 -4.378 -25.513 42.797 1.00 0.00 C ATOM 811 CG MET A 50 -4.123 -25.140 41.358 1.00 0.00 C ATOM 812 SD MET A 50 -5.463 -24.173 40.625 1.00 0.00 S ATOM 813 CE MET A 50 -6.733 -25.430 40.456 1.00 0.00 C ATOM 0 H MET A 50 -4.523 -26.364 45.093 1.00 0.00 H new ATOM 0 HA MET A 50 -3.308 -27.367 42.756 1.00 0.00 H new ATOM 0 HB2 MET A 50 -5.364 -25.970 42.875 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.399 -24.605 43.400 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.196 -24.570 41.296 1.00 0.00 H new ATOM 0 HG3 MET A 50 -3.978 -26.049 40.774 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.514 -25.070 39.787 1.00 0.00 H new ATOM 0 HE2 MET A 50 -6.293 -26.339 40.045 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.164 -25.646 41.434 1.00 0.00 H new ATOM 823 N ALA A 51 -1.477 -25.402 44.508 1.00 0.00 N ATOM 824 CA ALA A 51 -0.157 -24.817 44.634 1.00 0.00 C ATOM 825 C ALA A 51 0.931 -25.896 44.634 1.00 0.00 C ATOM 826 O ALA A 51 2.119 -25.590 44.539 1.00 0.00 O ATOM 827 CB ALA A 51 -0.072 -23.975 45.899 1.00 0.00 C ATOM 0 H ALA A 51 -2.007 -25.433 45.379 1.00 0.00 H new ATOM 0 HA ALA A 51 0.011 -24.173 43.770 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.925 -23.542 45.981 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.813 -23.176 45.855 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.267 -24.603 46.768 1.00 0.00 H new ATOM 833 N THR A 52 0.525 -27.158 44.753 1.00 0.00 N ATOM 834 CA THR A 52 1.473 -28.265 44.760 1.00 0.00 C ATOM 835 C THR A 52 1.047 -29.375 43.789 1.00 0.00 C ATOM 836 O THR A 52 0.180 -30.192 44.097 1.00 0.00 O ATOM 837 CB THR A 52 1.643 -28.852 46.175 1.00 0.00 C ATOM 838 OG1 THR A 52 1.944 -27.793 47.098 1.00 0.00 O ATOM 839 CG2 THR A 52 2.775 -29.875 46.199 1.00 0.00 C ATOM 0 H THR A 52 -0.452 -27.437 44.846 1.00 0.00 H new ATOM 0 HA THR A 52 2.431 -27.862 44.431 1.00 0.00 H new ATOM 0 HB THR A 52 0.715 -29.346 46.462 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.051 -28.164 47.999 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.880 -30.278 47.206 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.548 -30.685 45.506 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.707 -29.394 45.902 1.00 0.00 H new ATOM 847 N PRO A 53 1.665 -29.400 42.596 1.00 0.00 N ATOM 848 CA PRO A 53 1.372 -30.397 41.547 1.00 0.00 C ATOM 849 C PRO A 53 1.710 -31.821 41.983 1.00 0.00 C ATOM 850 O PRO A 53 1.124 -32.791 41.494 1.00 0.00 O ATOM 851 CB PRO A 53 2.294 -29.968 40.396 1.00 0.00 C ATOM 852 CG PRO A 53 2.616 -28.545 40.681 1.00 0.00 C ATOM 853 CD PRO A 53 2.697 -28.449 42.164 1.00 0.00 C ATOM 0 HA PRO A 53 0.313 -30.420 41.291 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.196 -30.579 40.362 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.799 -30.076 39.431 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.558 -28.254 40.216 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.847 -27.881 40.285 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.684 -28.723 42.536 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.493 -27.439 42.518 1.00 0.00 H new ATOM 861 N GLU A 54 2.647 -31.936 42.915 1.00 0.00 N ATOM 862 CA GLU A 54 3.107 -33.232 43.395 1.00 0.00 C ATOM 863 C GLU A 54 1.981 -34.009 44.079 1.00 0.00 C ATOM 864 O GLU A 54 2.001 -35.239 44.110 1.00 0.00 O ATOM 865 CB GLU A 54 4.296 -33.052 44.337 1.00 0.00 C ATOM 866 CG GLU A 54 4.966 -34.351 44.756 1.00 0.00 C ATOM 867 CD GLU A 54 6.169 -34.117 45.636 1.00 0.00 C ATOM 868 OE1 GLU A 54 6.004 -33.998 46.865 1.00 0.00 O ATOM 869 OE2 GLU A 54 7.292 -34.052 45.100 1.00 0.00 O ATOM 0 H GLU A 54 3.107 -31.140 43.357 1.00 0.00 H new ATOM 0 HA GLU A 54 3.428 -33.818 42.534 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.036 -32.416 43.851 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.960 -32.526 45.230 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.246 -34.974 45.287 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.271 -34.903 43.867 1.00 0.00 H new ATOM 876 N ALA A 55 0.992 -33.289 44.604 1.00 0.00 N ATOM 877 CA ALA A 55 -0.140 -33.923 45.265 1.00 0.00 C ATOM 878 C ALA A 55 -0.879 -34.836 44.291 1.00 0.00 C ATOM 879 O ALA A 55 -1.223 -35.970 44.625 1.00 0.00 O ATOM 880 CB ALA A 55 -1.082 -32.870 45.825 1.00 0.00 C ATOM 0 H ALA A 55 0.954 -32.270 44.583 1.00 0.00 H new ATOM 0 HA ALA A 55 0.233 -34.528 46.091 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.923 -33.359 46.316 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.549 -32.252 46.548 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.450 -32.243 45.013 1.00 0.00 H new ATOM 886 N GLY A 56 -1.106 -34.333 43.081 1.00 0.00 N ATOM 887 CA GLY A 56 -1.751 -35.128 42.049 1.00 0.00 C ATOM 888 C GLY A 56 -0.881 -36.276 41.608 1.00 0.00 C ATOM 889 O GLY A 56 -1.366 -37.379 41.359 1.00 0.00 O ATOM 0 H GLY A 56 -0.854 -33.387 42.796 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.699 -35.513 42.425 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.981 -34.495 41.192 1.00 0.00 H new ATOM 893 N VAL A 57 0.412 -36.012 41.526 1.00 0.00 N ATOM 894 CA VAL A 57 1.377 -37.012 41.110 1.00 0.00 C ATOM 895 C VAL A 57 1.406 -38.181 42.093 1.00 0.00 C ATOM 896 O VAL A 57 1.325 -39.339 41.689 1.00 0.00 O ATOM 897 CB VAL A 57 2.791 -36.389 40.991 1.00 0.00 C ATOM 898 CG1 VAL A 57 3.827 -37.437 40.642 1.00 0.00 C ATOM 899 CG2 VAL A 57 2.793 -35.287 39.951 1.00 0.00 C ATOM 0 H VAL A 57 0.820 -35.103 41.745 1.00 0.00 H new ATOM 0 HA VAL A 57 1.072 -37.386 40.132 1.00 0.00 H new ATOM 0 HB VAL A 57 3.053 -35.966 41.961 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.808 -36.968 40.566 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.849 -38.200 41.420 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.571 -37.899 39.688 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.792 -34.858 39.877 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.503 -35.699 38.984 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.085 -34.511 40.242 1.00 0.00 H new ATOM 909 N ALA A 58 1.469 -37.863 43.381 1.00 0.00 N ATOM 910 CA ALA A 58 1.517 -38.883 44.424 1.00 0.00 C ATOM 911 C ALA A 58 0.245 -39.723 44.427 1.00 0.00 C ATOM 912 O ALA A 58 0.290 -40.936 44.659 1.00 0.00 O ATOM 913 CB ALA A 58 1.733 -38.239 45.787 1.00 0.00 C ATOM 0 H ALA A 58 1.488 -36.905 43.729 1.00 0.00 H new ATOM 0 HA ALA A 58 2.357 -39.544 44.213 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.766 -39.013 46.554 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.674 -37.690 45.785 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.913 -37.553 45.999 1.00 0.00 H new ATOM 919 N LEU A 59 -0.888 -39.073 44.178 1.00 0.00 N ATOM 920 CA LEU A 59 -2.168 -39.766 44.121 1.00 0.00 C ATOM 921 C LEU A 59 -2.167 -40.785 42.983 1.00 0.00 C ATOM 922 O LEU A 59 -2.546 -41.943 43.166 1.00 0.00 O ATOM 923 CB LEU A 59 -3.295 -38.757 43.880 1.00 0.00 C ATOM 924 CG LEU A 59 -4.706 -39.344 43.755 1.00 0.00 C ATOM 925 CD1 LEU A 59 -5.207 -39.862 45.090 1.00 0.00 C ATOM 926 CD2 LEU A 59 -5.657 -38.321 43.187 1.00 0.00 C ATOM 0 H LEU A 59 -0.944 -38.068 44.013 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.326 -40.280 45.069 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.293 -38.038 44.699 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.071 -38.203 42.968 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.658 -40.189 43.068 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.210 -40.272 44.968 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.538 -40.642 45.452 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.234 -39.045 45.810 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.653 -38.756 43.106 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.693 -37.453 43.845 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.314 -38.014 42.199 1.00 0.00 H new ATOM 938 N LEU A 60 -1.721 -40.344 41.817 1.00 0.00 N ATOM 939 CA LEU A 60 -1.684 -41.187 40.637 1.00 0.00 C ATOM 940 C LEU A 60 -0.696 -42.327 40.794 1.00 0.00 C ATOM 941 O LEU A 60 -0.961 -43.452 40.363 1.00 0.00 O ATOM 942 CB LEU A 60 -1.373 -40.369 39.394 1.00 0.00 C ATOM 943 CG LEU A 60 -2.423 -39.322 39.012 1.00 0.00 C ATOM 944 CD1 LEU A 60 -2.056 -38.663 37.709 1.00 0.00 C ATOM 945 CD2 LEU A 60 -3.808 -39.940 38.919 1.00 0.00 C ATOM 0 H LEU A 60 -1.377 -39.396 41.664 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.675 -41.626 40.519 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.419 -39.863 39.543 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.244 -41.052 38.554 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.444 -38.566 39.797 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.812 -37.921 37.451 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.087 -38.174 37.809 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.003 -39.416 36.923 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.532 -39.172 38.646 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.807 -40.723 38.161 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.080 -40.369 39.883 1.00 0.00 H new ATOM 957 N GLU A 61 0.448 -42.035 41.402 1.00 0.00 N ATOM 958 CA GLU A 61 1.461 -43.055 41.644 1.00 0.00 C ATOM 959 C GLU A 61 0.906 -44.166 42.528 1.00 0.00 C ATOM 960 O GLU A 61 1.222 -45.342 42.330 1.00 0.00 O ATOM 961 CB GLU A 61 2.714 -42.446 42.271 1.00 0.00 C ATOM 962 CG GLU A 61 3.463 -41.506 41.345 1.00 0.00 C ATOM 963 CD GLU A 61 4.666 -40.875 42.000 1.00 0.00 C ATOM 964 OE1 GLU A 61 4.550 -40.422 43.164 1.00 0.00 O ATOM 965 OE2 GLU A 61 5.737 -40.818 41.358 1.00 0.00 O ATOM 0 H GLU A 61 0.697 -41.104 41.735 1.00 0.00 H new ATOM 0 HA GLU A 61 1.740 -43.486 40.682 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.431 -41.904 43.174 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.383 -43.250 42.578 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.783 -42.055 40.459 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.786 -40.721 41.006 1.00 0.00 H new ATOM 972 N LYS A 62 0.063 -43.799 43.494 1.00 0.00 N ATOM 973 CA LYS A 62 -0.554 -44.787 44.368 1.00 0.00 C ATOM 974 C LYS A 62 -1.456 -45.708 43.544 1.00 0.00 C ATOM 975 O LYS A 62 -1.493 -46.922 43.759 1.00 0.00 O ATOM 976 CB LYS A 62 -1.364 -44.114 45.482 1.00 0.00 C ATOM 977 CG LYS A 62 -1.839 -45.093 46.544 1.00 0.00 C ATOM 978 CD LYS A 62 -2.558 -44.392 47.687 1.00 0.00 C ATOM 979 CE LYS A 62 -2.979 -45.391 48.750 1.00 0.00 C ATOM 980 NZ LYS A 62 -3.673 -44.744 49.891 1.00 0.00 N ATOM 0 H LYS A 62 -0.204 -42.834 43.687 1.00 0.00 H new ATOM 0 HA LYS A 62 0.236 -45.374 44.837 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.754 -43.343 45.953 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.228 -43.614 45.044 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.508 -45.824 46.090 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.984 -45.644 46.937 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.904 -43.639 48.127 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.435 -43.869 47.305 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.637 -46.137 48.304 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.099 -45.920 49.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.510 -45.298 50.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.302 -43.781 50.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.694 -44.699 49.696 1.00 0.00 H new ATOM 994 N ILE A 63 -2.169 -45.113 42.589 1.00 0.00 N ATOM 995 CA ILE A 63 -3.049 -45.855 41.695 1.00 0.00 C ATOM 996 C ILE A 63 -2.238 -46.849 40.884 1.00 0.00 C ATOM 997 O ILE A 63 -2.589 -48.027 40.787 1.00 0.00 O ATOM 998 CB ILE A 63 -3.768 -44.911 40.710 1.00 0.00 C ATOM 999 CG1 ILE A 63 -4.532 -43.828 41.458 1.00 0.00 C ATOM 1000 CG2 ILE A 63 -4.706 -45.694 39.804 1.00 0.00 C ATOM 1001 CD1 ILE A 63 -5.152 -42.800 40.546 1.00 0.00 C ATOM 0 H ILE A 63 -2.152 -44.108 42.416 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.788 -46.368 42.311 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.012 -44.430 40.090 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.316 -44.293 42.057 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.855 -43.328 42.151 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.203 -45.010 39.117 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.134 -46.428 39.235 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.453 -46.207 40.410 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.682 -42.057 41.142 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.370 -42.310 39.966 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.853 -43.289 39.870 1.00 0.00 H new ATOM 1013 N TRP A 64 -1.143 -46.361 40.324 1.00 0.00 N ATOM 1014 CA TRP A 64 -0.246 -47.179 39.540 1.00 0.00 C ATOM 1015 C TRP A 64 0.271 -48.348 40.371 1.00 0.00 C ATOM 1016 O TRP A 64 0.346 -49.462 39.891 1.00 0.00 O ATOM 1017 CB TRP A 64 0.914 -46.329 38.993 1.00 0.00 C ATOM 1018 CG TRP A 64 2.034 -47.137 38.407 1.00 0.00 C ATOM 1019 CD1 TRP A 64 3.338 -47.135 38.809 1.00 0.00 C ATOM 1020 CD2 TRP A 64 1.951 -48.084 37.333 1.00 0.00 C ATOM 1021 NE1 TRP A 64 4.064 -48.013 38.045 1.00 0.00 N ATOM 1022 CE2 TRP A 64 3.241 -48.610 37.146 1.00 0.00 C ATOM 1023 CE3 TRP A 64 0.918 -48.542 36.512 1.00 0.00 C ATOM 1024 CZ2 TRP A 64 3.526 -49.564 36.185 1.00 0.00 C ATOM 1025 CZ3 TRP A 64 1.208 -49.490 35.553 1.00 0.00 C ATOM 1026 CH2 TRP A 64 2.500 -49.992 35.401 1.00 0.00 C ATOM 0 H TRP A 64 -0.855 -45.386 40.403 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.794 -47.587 38.691 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.528 -45.653 38.230 1.00 0.00 H new ATOM 0 HB3 TRP A 64 1.309 -45.709 39.798 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.739 -46.532 39.610 1.00 0.00 H new ATOM 0 HE1 TRP A 64 5.064 -48.189 38.138 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.086 -48.162 36.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.526 -49.954 36.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.420 -49.850 34.908 1.00 0.00 H new ATOM 0 HH2 TRP A 64 2.691 -50.738 34.643 1.00 0.00 H new ATOM 1037 N THR A 65 0.584 -48.084 41.624 1.00 0.00 N ATOM 1038 CA THR A 65 1.051 -49.123 42.529 1.00 0.00 C ATOM 1039 C THR A 65 -0.025 -50.216 42.708 1.00 0.00 C ATOM 1040 O THR A 65 0.282 -51.402 42.776 1.00 0.00 O ATOM 1041 CB THR A 65 1.433 -48.535 43.908 1.00 0.00 C ATOM 1042 OG1 THR A 65 2.294 -47.397 43.730 1.00 0.00 O ATOM 1043 CG2 THR A 65 2.151 -49.575 44.757 1.00 0.00 C ATOM 0 H THR A 65 0.524 -47.156 42.043 1.00 0.00 H new ATOM 0 HA THR A 65 1.941 -49.569 42.084 1.00 0.00 H new ATOM 0 HB THR A 65 0.518 -48.233 44.417 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.778 -46.652 43.357 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.411 -49.140 45.722 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.498 -50.434 44.910 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.060 -49.896 44.248 1.00 0.00 H new ATOM 1051 N MET A 66 -1.275 -49.793 42.797 1.00 0.00 N ATOM 1052 CA MET A 66 -2.398 -50.705 42.981 1.00 0.00 C ATOM 1053 C MET A 66 -2.635 -51.622 41.758 1.00 0.00 C ATOM 1054 O MET A 66 -2.877 -52.819 41.916 1.00 0.00 O ATOM 1055 CB MET A 66 -3.676 -49.902 43.273 1.00 0.00 C ATOM 1056 CG MET A 66 -3.649 -49.117 44.579 1.00 0.00 C ATOM 1057 SD MET A 66 -3.533 -50.175 46.038 1.00 0.00 S ATOM 1058 CE MET A 66 -5.118 -51.014 45.961 1.00 0.00 C ATOM 0 H MET A 66 -1.542 -48.810 42.744 1.00 0.00 H new ATOM 0 HA MET A 66 -2.149 -51.349 43.825 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.849 -49.208 42.451 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.523 -50.588 43.294 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.802 -48.431 44.566 1.00 0.00 H new ATOM 0 HG3 MET A 66 -4.551 -48.509 44.649 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.345 -51.452 46.933 1.00 0.00 H new ATOM 0 HE2 MET A 66 -5.896 -50.298 45.694 1.00 0.00 H new ATOM 0 HE3 MET A 66 -5.077 -51.802 45.209 1.00 0.00 H new ATOM 1068 N ILE A 67 -2.538 -51.062 40.549 1.00 0.00 N ATOM 1069 CA ILE A 67 -2.892 -51.807 39.321 1.00 0.00 C ATOM 1070 C ILE A 67 -1.691 -52.268 38.503 1.00 0.00 C ATOM 1071 O ILE A 67 -1.867 -52.911 37.469 1.00 0.00 O ATOM 1072 CB ILE A 67 -3.807 -50.970 38.401 1.00 0.00 C ATOM 1073 CG1 ILE A 67 -3.108 -49.662 37.985 1.00 0.00 C ATOM 1074 CG2 ILE A 67 -5.123 -50.678 39.090 1.00 0.00 C ATOM 1075 CD1 ILE A 67 -3.894 -48.845 36.981 1.00 0.00 C ATOM 0 H ILE A 67 -2.222 -50.106 40.387 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.411 -52.695 39.682 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.011 -51.547 37.499 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.931 -49.056 38.874 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.132 -49.900 37.562 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.757 -50.087 38.429 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.624 -51.616 39.330 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.937 -50.120 40.008 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.340 -47.939 36.736 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.049 -49.432 36.076 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.860 -48.575 37.408 1.00 0.00 H new ATOM 1087 N GLU A 68 -0.489 -51.962 38.954 1.00 0.00 N ATOM 1088 CA GLU A 68 0.736 -52.322 38.203 1.00 0.00 C ATOM 1089 C GLU A 68 0.840 -53.828 37.910 1.00 0.00 C ATOM 1090 O GLU A 68 1.597 -54.253 37.033 1.00 0.00 O ATOM 1091 CB GLU A 68 2.004 -51.815 38.916 1.00 0.00 C ATOM 1092 CG GLU A 68 2.094 -52.127 40.409 1.00 0.00 C ATOM 1093 CD GLU A 68 2.288 -53.600 40.717 1.00 0.00 C ATOM 1094 OE1 GLU A 68 3.388 -54.121 40.450 1.00 0.00 O ATOM 1095 OE2 GLU A 68 1.352 -54.234 41.248 1.00 0.00 O ATOM 0 H GLU A 68 -0.317 -51.468 39.830 1.00 0.00 H new ATOM 0 HA GLU A 68 0.657 -51.819 37.239 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.874 -52.246 38.420 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.065 -50.735 38.785 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.922 -51.564 40.839 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.184 -51.780 40.899 1.00 0.00 H new ATOM 1102 N ASN A 69 0.094 -54.618 38.648 1.00 0.00 N ATOM 1103 CA ASN A 69 0.085 -56.058 38.464 1.00 0.00 C ATOM 1104 C ASN A 69 -0.495 -56.473 37.106 1.00 0.00 C ATOM 1105 O ASN A 69 -0.009 -57.416 36.483 1.00 0.00 O ATOM 1106 CB ASN A 69 -0.637 -56.766 39.632 1.00 0.00 C ATOM 1107 CG ASN A 69 -2.003 -56.179 39.967 1.00 0.00 C ATOM 1108 OD1 ASN A 69 -2.725 -55.693 39.105 1.00 0.00 O ATOM 1109 ND2 ASN A 69 -2.357 -56.218 41.234 1.00 0.00 N ATOM 0 H ASN A 69 -0.522 -54.286 39.390 1.00 0.00 H new ATOM 0 HA ASN A 69 1.125 -56.384 38.467 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.758 -57.821 39.384 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.005 -56.717 40.519 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.257 -55.836 41.524 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.731 -56.630 41.926 1.00 0.00 H new ATOM 1116 N GLU A 70 -1.509 -55.759 36.633 1.00 0.00 N ATOM 1117 CA GLU A 70 -2.143 -56.101 35.364 1.00 0.00 C ATOM 1118 C GLU A 70 -2.103 -54.936 34.386 1.00 0.00 C ATOM 1119 O GLU A 70 -2.675 -55.007 33.295 1.00 0.00 O ATOM 1120 CB GLU A 70 -3.592 -56.541 35.588 1.00 0.00 C ATOM 1121 CG GLU A 70 -3.729 -57.771 36.466 1.00 0.00 C ATOM 1122 CD GLU A 70 -5.160 -58.256 36.598 1.00 0.00 C ATOM 1123 OE1 GLU A 70 -5.779 -58.602 35.567 1.00 0.00 O ATOM 1124 OE2 GLU A 70 -5.666 -58.321 37.738 1.00 0.00 O ATOM 0 H GLU A 70 -1.908 -54.946 37.103 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.580 -56.928 34.931 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.146 -55.719 36.041 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.054 -56.742 34.622 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.117 -58.573 36.054 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.335 -57.547 37.457 1.00 0.00 H new ATOM 1131 N ALA A 71 -1.417 -53.877 34.765 1.00 0.00 N ATOM 1132 CA ALA A 71 -1.334 -52.696 33.932 1.00 0.00 C ATOM 1133 C ALA A 71 0.103 -52.359 33.575 1.00 0.00 C ATOM 1134 O ALA A 71 1.036 -52.701 34.307 1.00 0.00 O ATOM 1135 CB ALA A 71 -1.994 -51.510 34.627 1.00 0.00 C ATOM 0 H ALA A 71 -0.908 -53.811 35.646 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.865 -52.910 33.005 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.924 -50.629 33.989 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.043 -51.737 34.817 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.488 -51.314 35.572 1.00 0.00 H new ATOM 1141 N ASN A 72 0.270 -51.715 32.439 1.00 0.00 N ATOM 1142 CA ASN A 72 1.565 -51.249 31.992 1.00 0.00 C ATOM 1143 C ASN A 72 1.554 -49.735 32.025 1.00 0.00 C ATOM 1144 O ASN A 72 0.518 -49.114 31.806 1.00 0.00 O ATOM 1145 CB ASN A 72 1.868 -51.720 30.563 1.00 0.00 C ATOM 1146 CG ASN A 72 1.873 -53.234 30.405 1.00 0.00 C ATOM 1147 OD1 ASN A 72 2.207 -53.974 31.328 1.00 0.00 O ATOM 1148 ND2 ASN A 72 1.511 -53.702 29.225 1.00 0.00 N ATOM 0 H ASN A 72 -0.493 -51.499 31.797 1.00 0.00 H new ATOM 0 HA ASN A 72 2.335 -51.654 32.648 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.127 -51.295 29.885 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.839 -51.329 30.259 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.502 -54.708 29.056 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.240 -53.058 28.482 1.00 0.00 H new ATOM 1155 N ARG A 73 2.680 -49.150 32.283 1.00 0.00 N ATOM 1156 CA ARG A 73 2.787 -47.727 32.421 1.00 0.00 C ATOM 1157 C ARG A 73 3.111 -47.067 31.081 1.00 0.00 C ATOM 1158 O ARG A 73 4.202 -47.246 30.538 1.00 0.00 O ATOM 1159 CB ARG A 73 3.871 -47.434 33.430 1.00 0.00 C ATOM 1160 CG ARG A 73 4.024 -45.990 33.762 1.00 0.00 C ATOM 1161 CD ARG A 73 5.078 -45.787 34.832 1.00 0.00 C ATOM 1162 NE ARG A 73 5.114 -44.414 35.320 1.00 0.00 N ATOM 1163 CZ ARG A 73 5.901 -44.003 36.318 1.00 0.00 C ATOM 1164 NH1 ARG A 73 6.734 -44.854 36.905 1.00 0.00 N ATOM 1165 NH2 ARG A 73 5.855 -42.747 36.726 1.00 0.00 N ATOM 0 H ARG A 73 3.561 -49.649 32.406 1.00 0.00 H new ATOM 0 HA ARG A 73 1.835 -47.319 32.760 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.657 -47.985 34.346 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.820 -47.809 33.046 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.299 -45.434 32.866 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.070 -45.589 34.105 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.881 -46.461 35.665 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.056 -46.053 34.431 1.00 0.00 H new ATOM 0 HE ARG A 73 4.504 -43.729 34.874 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.774 -45.825 36.594 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.334 -44.537 37.667 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.217 -42.088 36.279 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.457 -42.436 37.488 1.00 0.00 H new ATOM 1179 N ASP A 74 2.149 -46.326 30.543 1.00 0.00 N ATOM 1180 CA ASP A 74 2.349 -45.613 29.279 1.00 0.00 C ATOM 1181 C ASP A 74 3.270 -44.417 29.473 1.00 0.00 C ATOM 1182 O ASP A 74 4.118 -44.127 28.627 1.00 0.00 O ATOM 1183 CB ASP A 74 1.007 -45.171 28.677 1.00 0.00 C ATOM 1184 CG ASP A 74 1.167 -44.264 27.462 1.00 0.00 C ATOM 1185 OD1 ASP A 74 1.270 -44.782 26.325 1.00 0.00 O ATOM 1186 OD2 ASP A 74 1.177 -43.028 27.637 1.00 0.00 O ATOM 0 H ASP A 74 1.225 -46.201 30.957 1.00 0.00 H new ATOM 0 HA ASP A 74 2.823 -46.300 28.578 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.435 -46.054 28.391 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.428 -44.649 29.439 1.00 0.00 H new ATOM 1191 N LYS A 75 3.111 -43.731 30.604 1.00 0.00 N ATOM 1192 CA LYS A 75 3.928 -42.559 30.901 1.00 0.00 C ATOM 1193 C LYS A 75 3.854 -42.204 32.390 1.00 0.00 C ATOM 1194 O LYS A 75 3.200 -42.898 33.176 1.00 0.00 O ATOM 1195 CB LYS A 75 3.487 -41.357 30.047 1.00 0.00 C ATOM 1196 CG LYS A 75 2.183 -40.700 30.480 1.00 0.00 C ATOM 1197 CD LYS A 75 1.817 -39.559 29.548 1.00 0.00 C ATOM 1198 CE LYS A 75 0.609 -38.788 30.046 1.00 0.00 C ATOM 1199 NZ LYS A 75 0.915 -38.011 31.284 1.00 0.00 N ATOM 0 H LYS A 75 2.428 -43.966 31.324 1.00 0.00 H new ATOM 0 HA LYS A 75 4.962 -42.801 30.655 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.278 -40.607 30.067 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.385 -41.684 29.012 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.383 -41.440 30.487 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.280 -40.326 31.499 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.666 -38.882 29.452 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.611 -39.954 28.553 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.266 -38.108 29.266 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.207 -39.482 30.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.085 -37.446 31.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.153 -38.667 32.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.721 -37.379 31.107 1.00 0.00 H new ATOM 1213 N GLU A 76 4.520 -41.131 32.767 1.00 0.00 N ATOM 1214 CA GLU A 76 4.532 -40.678 34.146 1.00 0.00 C ATOM 1215 C GLU A 76 3.416 -39.669 34.399 1.00 0.00 C ATOM 1216 O GLU A 76 2.975 -38.969 33.477 1.00 0.00 O ATOM 1217 CB GLU A 76 5.883 -40.040 34.489 1.00 0.00 C ATOM 1218 CG GLU A 76 7.069 -40.973 34.355 1.00 0.00 C ATOM 1219 CD GLU A 76 8.356 -40.337 34.827 1.00 0.00 C ATOM 1220 OE1 GLU A 76 8.669 -40.438 36.036 1.00 0.00 O ATOM 1221 OE2 GLU A 76 9.068 -39.743 33.997 1.00 0.00 O ATOM 0 H GLU A 76 5.066 -40.550 32.131 1.00 0.00 H new ATOM 0 HA GLU A 76 4.371 -41.548 34.783 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.039 -39.178 33.840 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.845 -39.666 35.512 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.882 -41.880 34.931 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.176 -41.274 33.313 1.00 0.00 H new ATOM 1228 N PRO A 77 2.906 -39.616 35.641 1.00 0.00 N ATOM 1229 CA PRO A 77 1.915 -38.622 36.029 1.00 0.00 C ATOM 1230 C PRO A 77 2.537 -37.233 36.064 1.00 0.00 C ATOM 1231 O PRO A 77 3.618 -37.043 36.626 1.00 0.00 O ATOM 1232 CB PRO A 77 1.499 -39.050 37.442 1.00 0.00 C ATOM 1233 CG PRO A 77 2.632 -39.876 37.948 1.00 0.00 C ATOM 1234 CD PRO A 77 3.246 -40.528 36.747 1.00 0.00 C ATOM 0 HA PRO A 77 1.077 -38.572 35.334 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.326 -38.184 38.081 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.572 -39.622 37.423 1.00 0.00 H new ATOM 0 HG2 PRO A 77 3.362 -39.257 38.470 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.281 -40.624 38.659 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.325 -40.637 36.859 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.840 -41.526 36.582 1.00 0.00 H new ATOM 1242 N ASN A 78 1.873 -36.274 35.461 1.00 0.00 N ATOM 1243 CA ASN A 78 2.388 -34.916 35.431 1.00 0.00 C ATOM 1244 C ASN A 78 1.255 -33.910 35.441 1.00 0.00 C ATOM 1245 O ASN A 78 0.153 -34.199 34.963 1.00 0.00 O ATOM 1246 CB ASN A 78 3.284 -34.699 34.199 1.00 0.00 C ATOM 1247 CG ASN A 78 3.992 -33.353 34.216 1.00 0.00 C ATOM 1248 OD1 ASN A 78 4.294 -32.810 35.279 1.00 0.00 O ATOM 1249 ND2 ASN A 78 4.260 -32.812 33.047 1.00 0.00 N ATOM 0 H ASN A 78 0.980 -36.403 34.986 1.00 0.00 H new ATOM 0 HA ASN A 78 2.990 -34.766 36.327 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.027 -35.495 34.151 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.678 -34.774 33.296 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.735 -31.910 32.999 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.993 -33.294 32.189 1.00 0.00 H new ATOM 1256 N PHE A 79 1.528 -32.743 35.984 1.00 0.00 N ATOM 1257 CA PHE A 79 0.556 -31.670 36.052 1.00 0.00 C ATOM 1258 C PHE A 79 0.606 -30.850 34.773 1.00 0.00 C ATOM 1259 O PHE A 79 1.616 -30.210 34.472 1.00 0.00 O ATOM 1260 CB PHE A 79 0.866 -30.785 37.267 1.00 0.00 C ATOM 1261 CG PHE A 79 -0.025 -29.582 37.424 1.00 0.00 C ATOM 1262 CD1 PHE A 79 -1.283 -29.703 37.981 1.00 0.00 C ATOM 1263 CD2 PHE A 79 0.412 -28.326 37.032 1.00 0.00 C ATOM 1264 CE1 PHE A 79 -2.091 -28.595 38.146 1.00 0.00 C ATOM 1265 CE2 PHE A 79 -0.390 -27.216 37.189 1.00 0.00 C ATOM 1266 CZ PHE A 79 -1.644 -27.350 37.749 1.00 0.00 C ATOM 0 H PHE A 79 2.433 -32.510 36.392 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.446 -32.086 36.159 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.792 -31.393 38.169 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.899 -30.446 37.196 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.639 -30.674 38.291 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.395 -28.216 36.598 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.072 -28.702 38.585 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -0.038 -26.245 36.875 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.275 -26.483 37.877 1.00 0.00 H new ATOM 1276 N GLU A 80 -0.476 -30.872 34.025 1.00 0.00 N ATOM 1277 CA GLU A 80 -0.539 -30.152 32.768 1.00 0.00 C ATOM 1278 C GLU A 80 -1.981 -29.755 32.460 1.00 0.00 C ATOM 1279 O GLU A 80 -2.820 -30.607 32.146 1.00 0.00 O ATOM 1280 CB GLU A 80 0.029 -31.026 31.640 1.00 0.00 C ATOM 1281 CG GLU A 80 0.868 -30.268 30.620 1.00 0.00 C ATOM 1282 CD GLU A 80 0.068 -29.263 29.819 1.00 0.00 C ATOM 1283 OE1 GLU A 80 -0.104 -28.125 30.289 1.00 0.00 O ATOM 1284 OE2 GLU A 80 -0.395 -29.614 28.716 1.00 0.00 O ATOM 0 H GLU A 80 -1.327 -31.381 34.265 1.00 0.00 H new ATOM 0 HA GLU A 80 0.059 -29.244 32.846 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.639 -31.815 32.080 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.798 -31.513 31.123 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.676 -29.750 31.137 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.331 -30.981 29.938 1.00 0.00 H new ATOM 1291 N GLY A 81 -2.263 -28.468 32.546 1.00 0.00 N ATOM 1292 CA GLY A 81 -3.607 -27.985 32.288 1.00 0.00 C ATOM 1293 C GLY A 81 -4.488 -28.055 33.515 1.00 0.00 C ATOM 1294 O GLY A 81 -5.689 -28.260 33.408 1.00 0.00 O ATOM 0 H GLY A 81 -1.587 -27.744 32.790 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.559 -26.954 31.936 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.055 -28.574 31.488 1.00 0.00 H new ATOM 1298 N ARG A 82 -3.868 -27.888 34.686 1.00 0.00 N ATOM 1299 CA ARG A 82 -4.552 -27.940 35.988 1.00 0.00 C ATOM 1300 C ARG A 82 -5.029 -29.347 36.331 1.00 0.00 C ATOM 1301 O ARG A 82 -5.664 -29.571 37.365 1.00 0.00 O ATOM 1302 CB ARG A 82 -5.679 -26.911 36.069 1.00 0.00 C ATOM 1303 CG ARG A 82 -5.154 -25.489 36.071 1.00 0.00 C ATOM 1304 CD ARG A 82 -6.256 -24.453 36.148 1.00 0.00 C ATOM 1305 NE ARG A 82 -5.702 -23.096 36.132 1.00 0.00 N ATOM 1306 CZ ARG A 82 -6.370 -21.993 36.465 1.00 0.00 C ATOM 1307 NH1 ARG A 82 -7.655 -22.070 36.801 1.00 0.00 N ATOM 1308 NH2 ARG A 82 -5.751 -20.813 36.444 1.00 0.00 N ATOM 0 H ARG A 82 -2.866 -27.711 34.761 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.818 -27.672 36.748 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -6.354 -27.046 35.224 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -6.262 -27.083 36.974 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.479 -25.358 36.917 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.568 -25.322 35.167 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.940 -24.581 35.309 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.837 -24.602 37.058 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.730 -22.988 35.843 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.128 -22.974 36.804 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.167 -21.225 37.056 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.769 -20.757 36.174 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.259 -19.966 36.698 1.00 0.00 H new ATOM 1322 N TYR A 83 -4.701 -30.287 35.469 1.00 0.00 N ATOM 1323 CA TYR A 83 -4.985 -31.683 35.705 1.00 0.00 C ATOM 1324 C TYR A 83 -3.697 -32.466 35.691 1.00 0.00 C ATOM 1325 O TYR A 83 -2.821 -32.229 34.855 1.00 0.00 O ATOM 1326 CB TYR A 83 -5.922 -32.271 34.639 1.00 0.00 C ATOM 1327 CG TYR A 83 -7.334 -31.732 34.636 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -7.653 -30.559 33.968 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -8.354 -32.413 35.290 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -8.945 -30.082 33.948 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -9.650 -31.942 35.276 1.00 0.00 C ATOM 1332 CZ TYR A 83 -9.940 -30.774 34.604 1.00 0.00 C ATOM 1333 OH TYR A 83 -11.234 -30.297 34.582 1.00 0.00 O ATOM 0 H TYR A 83 -4.229 -30.102 34.584 1.00 0.00 H new ATOM 0 HA TYR A 83 -5.478 -31.755 36.674 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.483 -32.092 33.658 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.966 -33.351 34.777 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.876 -30.011 33.456 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.128 -33.327 35.819 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.177 -29.169 33.420 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.432 -32.484 35.788 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.814 -30.901 35.091 1.00 0.00 H new ATOM 1343 N VAL A 84 -3.571 -33.370 36.610 1.00 0.00 N ATOM 1344 CA VAL A 84 -2.443 -34.268 36.637 1.00 0.00 C ATOM 1345 C VAL A 84 -2.918 -35.574 36.034 1.00 0.00 C ATOM 1346 O VAL A 84 -3.916 -36.131 36.484 1.00 0.00 O ATOM 1347 CB VAL A 84 -1.933 -34.504 38.089 1.00 0.00 C ATOM 1348 CG1 VAL A 84 -0.758 -35.461 38.120 1.00 0.00 C ATOM 1349 CG2 VAL A 84 -1.555 -33.194 38.748 1.00 0.00 C ATOM 0 H VAL A 84 -4.242 -33.513 37.365 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.609 -33.844 36.077 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.752 -34.956 38.649 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.430 -35.601 39.150 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.060 -36.421 37.702 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.062 -35.050 37.531 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.202 -33.385 39.761 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.764 -32.712 38.173 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.427 -32.540 38.785 1.00 0.00 H new ATOM 1359 N ASN A 85 -2.252 -36.053 35.005 1.00 0.00 N ATOM 1360 CA ASN A 85 -2.738 -37.249 34.328 1.00 0.00 C ATOM 1361 C ASN A 85 -1.660 -38.304 34.119 1.00 0.00 C ATOM 1362 O ASN A 85 -0.489 -37.994 33.854 1.00 0.00 O ATOM 1363 CB ASN A 85 -3.414 -36.902 32.987 1.00 0.00 C ATOM 1364 CG ASN A 85 -2.462 -36.297 31.969 1.00 0.00 C ATOM 1365 OD1 ASN A 85 -1.758 -37.014 31.261 1.00 0.00 O ATOM 1366 ND2 ASN A 85 -2.456 -34.981 31.872 1.00 0.00 N ATOM 0 H ASN A 85 -1.396 -35.651 34.623 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.481 -37.684 34.997 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -3.856 -37.805 32.567 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -4.230 -36.203 33.170 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.852 -34.523 31.190 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.056 -34.422 32.479 1.00 0.00 H new ATOM 1373 N MET A 86 -2.075 -39.547 34.259 1.00 0.00 N ATOM 1374 CA MET A 86 -1.232 -40.705 34.033 1.00 0.00 C ATOM 1375 C MET A 86 -2.022 -41.714 33.217 1.00 0.00 C ATOM 1376 O MET A 86 -3.235 -41.839 33.389 1.00 0.00 O ATOM 1377 CB MET A 86 -0.763 -41.301 35.378 1.00 0.00 C ATOM 1378 CG MET A 86 0.114 -42.556 35.272 1.00 0.00 C ATOM 1379 SD MET A 86 -0.840 -44.075 35.190 1.00 0.00 S ATOM 1380 CE MET A 86 -1.614 -44.088 36.808 1.00 0.00 C ATOM 0 H MET A 86 -3.026 -39.786 34.539 1.00 0.00 H new ATOM 0 HA MET A 86 -0.335 -40.422 33.482 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.209 -40.536 35.921 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.642 -41.542 35.975 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.742 -42.480 34.384 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.782 -42.599 36.132 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.826 -45.116 37.102 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.942 -43.633 37.536 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.545 -43.523 36.770 1.00 0.00 H new ATOM 1390 N LEU A 87 -1.357 -42.402 32.318 1.00 0.00 N ATOM 1391 CA LEU A 87 -2.038 -43.335 31.445 1.00 0.00 C ATOM 1392 C LEU A 87 -1.463 -44.735 31.572 1.00 0.00 C ATOM 1393 O LEU A 87 -0.241 -44.918 31.691 1.00 0.00 O ATOM 1394 CB LEU A 87 -1.968 -42.850 30.000 1.00 0.00 C ATOM 1395 CG LEU A 87 -2.726 -43.688 28.971 1.00 0.00 C ATOM 1396 CD1 LEU A 87 -4.201 -43.754 29.300 1.00 0.00 C ATOM 1397 CD2 LEU A 87 -2.541 -43.111 27.606 1.00 0.00 C ATOM 0 H LEU A 87 -0.350 -42.335 32.171 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.084 -43.382 31.749 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.352 -41.830 29.962 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.920 -42.808 29.703 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.322 -44.700 28.997 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.714 -44.357 28.551 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.335 -44.206 30.283 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.618 -42.747 29.304 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.085 -43.715 26.879 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.922 -42.090 27.588 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.481 -43.107 27.353 1.00 0.00 H new ATOM 1409 N VAL A 88 -2.342 -45.720 31.546 1.00 0.00 N ATOM 1410 CA VAL A 88 -1.943 -47.107 31.665 1.00 0.00 C ATOM 1411 C VAL A 88 -2.409 -47.930 30.475 1.00 0.00 C ATOM 1412 O VAL A 88 -3.561 -47.824 30.035 1.00 0.00 O ATOM 1413 CB VAL A 88 -2.458 -47.751 32.971 1.00 0.00 C ATOM 1414 CG1 VAL A 88 -1.754 -47.145 34.168 1.00 0.00 C ATOM 1415 CG2 VAL A 88 -3.970 -47.592 33.100 1.00 0.00 C ATOM 0 H VAL A 88 -3.347 -45.581 31.442 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.853 -47.106 31.688 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.235 -48.817 32.937 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.126 -47.608 35.082 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.681 -47.318 34.085 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.947 -46.073 34.199 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.307 -48.054 34.028 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.225 -46.532 33.109 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.460 -48.076 32.255 1.00 0.00 H new ATOM 1425 N THR A 89 -1.508 -48.727 29.950 1.00 0.00 N ATOM 1426 CA THR A 89 -1.794 -49.597 28.839 1.00 0.00 C ATOM 1427 C THR A 89 -2.068 -50.995 29.374 1.00 0.00 C ATOM 1428 O THR A 89 -1.375 -51.458 30.270 1.00 0.00 O ATOM 1429 CB THR A 89 -0.599 -49.642 27.865 1.00 0.00 C ATOM 1430 OG1 THR A 89 -0.169 -48.311 27.564 1.00 0.00 O ATOM 1431 CG2 THR A 89 -0.954 -50.351 26.572 1.00 0.00 C ATOM 0 H THR A 89 -0.547 -48.788 30.287 1.00 0.00 H new ATOM 0 HA THR A 89 -2.663 -49.220 28.300 1.00 0.00 H new ATOM 0 HB THR A 89 0.202 -50.198 28.353 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.780 -47.910 26.911 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.086 -50.362 25.913 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.257 -51.375 26.790 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.775 -49.826 26.083 1.00 0.00 H new ATOM 1439 N PRO A 90 -3.085 -51.672 28.859 1.00 0.00 N ATOM 1440 CA PRO A 90 -3.432 -53.021 29.304 1.00 0.00 C ATOM 1441 C PRO A 90 -2.314 -54.016 28.972 1.00 0.00 C ATOM 1442 O PRO A 90 -1.648 -53.899 27.939 1.00 0.00 O ATOM 1443 CB PRO A 90 -4.711 -53.320 28.518 1.00 0.00 C ATOM 1444 CG PRO A 90 -4.570 -52.483 27.300 1.00 0.00 C ATOM 1445 CD PRO A 90 -3.971 -51.205 27.790 1.00 0.00 C ATOM 0 HA PRO A 90 -3.569 -53.102 30.382 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.793 -54.378 28.271 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.603 -53.056 29.086 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -3.929 -52.963 26.561 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.535 -52.312 26.823 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.423 -50.684 27.005 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.729 -50.515 28.161 1.00 0.00 H new ATOM 1453 N LYS A 91 -2.115 -54.984 29.845 1.00 0.00 N ATOM 1454 CA LYS A 91 -1.039 -55.949 29.691 1.00 0.00 C ATOM 1455 C LYS A 91 -1.397 -57.027 28.666 1.00 0.00 C ATOM 1456 O LYS A 91 -0.586 -57.887 28.329 1.00 0.00 O ATOM 1457 CB LYS A 91 -0.684 -56.544 31.057 1.00 0.00 C ATOM 1458 CG LYS A 91 0.579 -57.390 31.075 1.00 0.00 C ATOM 1459 CD LYS A 91 0.954 -57.789 32.496 1.00 0.00 C ATOM 1460 CE LYS A 91 1.393 -56.569 33.300 1.00 0.00 C ATOM 1461 NZ LYS A 91 1.940 -56.933 34.629 1.00 0.00 N ATOM 0 H LYS A 91 -2.689 -55.125 30.676 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.158 -55.440 29.302 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.570 -55.730 31.773 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.519 -57.155 31.399 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.429 -58.285 30.471 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.399 -56.833 30.622 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.102 -58.264 32.983 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.758 -58.524 32.472 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.148 -56.020 32.738 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.543 -55.899 33.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.422 -56.110 35.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.164 -57.231 35.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.619 -57.714 34.523 1.00 0.00 H new