USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 35 CYS SG :(H bumps) USER MOD Set 1.1: A 47 HIS :FLIP no HD1:sc= -1.52! C(o=-3.5!,f=-1.5!) USER MOD Set 1.2: A 201 HEC O2D : rot -129:sc= 0.00307 USER MOD Single : A 33 THR OG1 : rot 16:sc= 0.839 USER MOD Single : A 34 HIS :FLIP no HE2:sc= 0.0303 F(o=-0.81,f=0.03) USER MOD Single : A 41 GLN : amide:sc= -0.0109 K(o=-0.011,f=-2.7!) USER MOD Single : A 44 ASN : amide:sc= -6.08! C(o=-6.1!,f=-12!) USER MOD Single : A 45 THR OG1 : rot 112:sc= -1.34 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.124 F(o=-2.4!,f=-0.12) USER MOD Single : A 64 THR OG1 : rot -120:sc= -0.934 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0834 X(o=-0.083,f=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -148:sc= -0.354 (180deg=-1.93!) USER MOD Single : A 94 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.425) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 93:sc= -0.0156 USER MOD Single : A 201 HEC O2A : rot 168:sc= -1.88 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -11.416 -7.192 -6.346 1.00 1.00 N ATOM 2 CA ALA A 25 -12.054 -8.417 -5.895 1.00 1.00 C ATOM 3 C ALA A 25 -10.980 -9.424 -5.480 1.00 1.00 C ATOM 4 O ALA A 25 -10.348 -10.049 -6.331 1.00 1.00 O ATOM 5 CB ALA A 25 -12.963 -8.957 -7.002 1.00 1.00 C ATOM 0 HA ALA A 25 -12.680 -8.225 -5.024 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -13.442 -9.876 -6.664 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -13.727 -8.216 -7.239 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -12.369 -9.164 -7.892 1.00 1.00 H new ATOM 11 N GLY A 26 -10.806 -9.551 -4.173 1.00 1.00 N ATOM 12 CA GLY A 26 -9.819 -10.471 -3.635 1.00 1.00 C ATOM 13 C GLY A 26 -8.747 -9.723 -2.840 1.00 1.00 C ATOM 14 O GLY A 26 -8.737 -9.765 -1.611 1.00 1.00 O ATOM 0 H GLY A 26 -11.332 -9.032 -3.470 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -10.310 -11.201 -2.992 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -9.352 -11.026 -4.449 1.00 1.00 H new ATOM 18 N GLY A 27 -7.870 -9.055 -3.576 1.00 1.00 N ATOM 19 CA GLY A 27 -6.796 -8.298 -2.955 1.00 1.00 C ATOM 20 C GLY A 27 -7.352 -7.200 -2.048 1.00 1.00 C ATOM 21 O GLY A 27 -6.693 -6.782 -1.097 1.00 1.00 O ATOM 0 H GLY A 27 -7.881 -9.022 -4.595 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -6.163 -8.968 -2.374 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -6.167 -7.854 -3.726 1.00 1.00 H new ATOM 25 N GLY A 28 -8.560 -6.762 -2.373 1.00 1.00 N ATOM 26 CA GLY A 28 -9.213 -5.720 -1.599 1.00 1.00 C ATOM 27 C GLY A 28 -9.567 -6.220 -0.197 1.00 1.00 C ATOM 28 O GLY A 28 -9.418 -5.490 0.782 1.00 1.00 O ATOM 0 H GLY A 28 -9.104 -7.110 -3.163 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.558 -4.852 -1.525 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -10.118 -5.394 -2.112 1.00 1.00 H new ATOM 32 N GLU A 29 -10.030 -7.460 -0.145 1.00 1.00 N ATOM 33 CA GLU A 29 -10.408 -8.065 1.121 1.00 1.00 C ATOM 34 C GLU A 29 -9.220 -8.061 2.086 1.00 1.00 C ATOM 35 O GLU A 29 -9.404 -8.019 3.302 1.00 1.00 O ATOM 36 CB GLU A 29 -10.940 -9.485 0.913 1.00 1.00 C ATOM 37 CG GLU A 29 -11.450 -10.077 2.228 1.00 1.00 C ATOM 38 CD GLU A 29 -12.821 -9.502 2.593 1.00 1.00 C ATOM 39 OE1 GLU A 29 -13.056 -8.298 2.413 1.00 1.00 O ATOM 40 OE2 GLU A 29 -13.658 -10.355 3.079 1.00 1.00 O ATOM 0 H GLU A 29 -10.152 -8.062 -0.959 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.211 -7.472 1.560 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.746 -9.471 0.179 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -10.150 -10.117 0.507 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -11.518 -11.161 2.141 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -10.739 -9.865 3.026 1.00 1.00 H new ATOM 48 N LEU A 30 -8.029 -8.105 1.508 1.00 1.00 N ATOM 49 CA LEU A 30 -6.812 -8.107 2.302 1.00 1.00 C ATOM 50 C LEU A 30 -6.459 -6.669 2.691 1.00 1.00 C ATOM 51 O LEU A 30 -6.088 -6.405 3.833 1.00 1.00 O ATOM 52 CB LEU A 30 -5.689 -8.836 1.561 1.00 1.00 C ATOM 53 CG LEU A 30 -6.012 -10.253 1.083 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.786 -10.908 0.443 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.584 -11.099 2.222 1.00 1.00 C ATOM 0 H LEU A 30 -7.881 -8.140 0.499 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.963 -8.661 3.228 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.403 -8.238 0.696 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.819 -8.884 2.216 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.781 -10.187 0.313 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -5.042 -11.914 0.112 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.462 -10.316 -0.413 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.979 -10.961 1.174 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.805 -12.101 1.855 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -5.856 -11.161 3.031 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.500 -10.638 2.593 1.00 1.00 H new ATOM 67 N PHE A 31 -6.589 -5.779 1.718 1.00 1.00 N ATOM 68 CA PHE A 31 -6.288 -4.375 1.944 1.00 1.00 C ATOM 69 C PHE A 31 -7.344 -3.726 2.842 1.00 1.00 C ATOM 70 O PHE A 31 -7.065 -2.739 3.520 1.00 1.00 O ATOM 71 CB PHE A 31 -6.306 -3.688 0.577 1.00 1.00 C ATOM 72 CG PHE A 31 -6.326 -2.160 0.649 1.00 1.00 C ATOM 73 CD1 PHE A 31 -7.436 -1.514 1.096 1.00 1.00 C ATOM 74 CD2 PHE A 31 -5.233 -1.447 0.265 1.00 1.00 C ATOM 75 CE1 PHE A 31 -7.454 -0.096 1.163 1.00 1.00 C ATOM 76 CE2 PHE A 31 -5.251 -0.029 0.331 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.361 0.617 0.779 1.00 1.00 C ATOM 0 H PHE A 31 -6.898 -6.002 0.772 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.320 -4.276 2.436 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.429 -4.003 0.012 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.181 -4.027 0.023 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -8.304 -2.080 1.400 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -4.351 -1.960 -0.090 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -8.335 0.417 1.519 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -4.383 0.537 0.025 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.375 1.696 0.830 1.00 1.00 H new ATOM 87 N ALA A 32 -8.534 -4.308 2.816 1.00 1.00 N ATOM 88 CA ALA A 32 -9.633 -3.799 3.619 1.00 1.00 C ATOM 89 C ALA A 32 -9.650 -4.520 4.969 1.00 1.00 C ATOM 90 O ALA A 32 -10.705 -4.946 5.435 1.00 1.00 O ATOM 91 CB ALA A 32 -10.946 -3.966 2.852 1.00 1.00 C ATOM 0 H ALA A 32 -8.761 -5.127 2.252 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.504 -2.735 3.816 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.770 -3.584 3.454 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -10.893 -3.411 1.915 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.111 -5.022 2.639 1.00 1.00 H new ATOM 97 N THR A 33 -8.469 -4.634 5.557 1.00 1.00 N ATOM 98 CA THR A 33 -8.334 -5.297 6.843 1.00 1.00 C ATOM 99 C THR A 33 -6.940 -5.054 7.425 1.00 1.00 C ATOM 100 O THR A 33 -6.795 -4.835 8.627 1.00 1.00 O ATOM 101 CB THR A 33 -8.662 -6.778 6.649 1.00 1.00 C ATOM 102 OG1 THR A 33 -10.083 -6.836 6.748 1.00 1.00 O ATOM 103 CG2 THR A 33 -8.172 -7.644 7.811 1.00 1.00 C ATOM 0 H THR A 33 -7.596 -4.278 5.167 1.00 1.00 H new ATOM 0 HA THR A 33 -9.032 -4.888 7.573 1.00 1.00 H new ATOM 0 HB THR A 33 -8.213 -7.130 5.720 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.454 -5.934 6.658 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.431 -8.686 7.623 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.090 -7.550 7.904 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.646 -7.314 8.736 1.00 1.00 H new ATOM 111 N HIS A 34 -5.951 -5.100 6.546 1.00 1.00 N ATOM 112 CA HIS A 34 -4.573 -4.888 6.957 1.00 1.00 C ATOM 113 C HIS A 34 -4.134 -3.475 6.569 1.00 1.00 C ATOM 114 O HIS A 34 -3.049 -3.033 6.946 1.00 1.00 O ATOM 115 CB HIS A 34 -3.661 -5.973 6.380 1.00 1.00 C ATOM 116 CG HIS A 34 -4.130 -7.381 6.657 1.00 1.00 C ATOM 117 ND1 HIS A 34 -4.791 -8.272 5.864 1.00 1.00 N flip ATOM 118 CD2 HIS A 34 -3.930 -8.012 7.872 1.00 1.00 C flip ATOM 119 CE1 HIS A 34 -4.984 -9.388 6.557 1.00 1.00 C flip ATOM 120 NE2 HIS A 34 -4.451 -9.229 7.802 1.00 1.00 N flip ATOM 0 H HIS A 34 -6.076 -5.281 5.550 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.496 -4.970 8.041 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.583 -5.832 5.302 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.659 -5.847 6.791 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -5.087 -8.109 4.902 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -3.434 -7.586 8.731 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -5.481 -10.275 6.194 1.00 1.00 H new ATOM 128 N CYS A 35 -4.998 -2.806 5.821 1.00 1.00 N ATOM 129 CA CYS A 35 -4.712 -1.452 5.377 1.00 1.00 C ATOM 130 C CYS A 35 -5.903 -0.564 5.746 1.00 1.00 C ATOM 131 O CYS A 35 -5.725 0.528 6.284 1.00 1.00 O ATOM 132 CB CYS A 35 -4.405 -1.400 3.879 1.00 1.00 C ATOM 133 SG CYS A 35 -3.431 -2.815 3.247 1.00 1.00 S ATOM 0 H CYS A 35 -5.897 -3.176 5.511 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.816 -1.085 5.877 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.346 -1.351 3.331 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -3.863 -0.479 3.665 1.00 1.00 H new ATOM 138 N ALA A 36 -7.091 -1.067 5.443 1.00 1.00 N ATOM 139 CA ALA A 36 -8.310 -0.333 5.736 1.00 1.00 C ATOM 140 C ALA A 36 -8.156 0.389 7.076 1.00 1.00 C ATOM 141 O ALA A 36 -8.688 1.483 7.260 1.00 1.00 O ATOM 142 CB ALA A 36 -9.500 -1.295 5.726 1.00 1.00 C ATOM 0 H ALA A 36 -7.235 -1.973 4.998 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.495 0.423 4.973 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.415 -0.745 5.946 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.584 -1.760 4.744 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.350 -2.067 6.481 1.00 1.00 H new ATOM 148 N GLY A 37 -7.426 -0.251 7.977 1.00 1.00 N ATOM 149 CA GLY A 37 -7.195 0.317 9.294 1.00 1.00 C ATOM 150 C GLY A 37 -6.045 1.326 9.263 1.00 1.00 C ATOM 151 O GLY A 37 -5.167 1.298 10.123 1.00 1.00 O ATOM 0 H GLY A 37 -6.986 -1.158 7.821 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.103 0.806 9.647 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -6.966 -0.479 10.002 1.00 1.00 H new ATOM 155 N CYS A 38 -6.088 2.192 8.262 1.00 1.00 N ATOM 156 CA CYS A 38 -5.061 3.208 8.107 1.00 1.00 C ATOM 157 C CYS A 38 -5.239 3.867 6.737 1.00 1.00 C ATOM 158 O CYS A 38 -4.948 5.050 6.571 1.00 1.00 O ATOM 159 CB CYS A 38 -3.657 2.624 8.281 1.00 1.00 C ATOM 160 SG CYS A 38 -2.945 3.170 9.876 1.00 1.00 S ATOM 0 H CYS A 38 -6.818 2.211 7.550 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.170 3.961 8.888 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.700 1.535 8.246 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -3.017 2.944 7.459 1.00 1.00 H new ATOM 165 N HIS A 39 -5.717 3.072 5.791 1.00 1.00 N ATOM 166 CA HIS A 39 -5.937 3.563 4.442 1.00 1.00 C ATOM 167 C HIS A 39 -7.428 3.489 4.106 1.00 1.00 C ATOM 168 O HIS A 39 -7.856 2.798 3.184 1.00 1.00 O ATOM 169 CB HIS A 39 -5.065 2.805 3.439 1.00 1.00 C ATOM 170 CG HIS A 39 -3.600 3.164 3.504 1.00 1.00 C ATOM 171 ND1 HIS A 39 -3.124 4.429 3.204 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.512 2.413 3.840 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.808 4.426 3.354 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.430 3.176 3.748 1.00 1.00 N ATOM 0 H HIS A 39 -5.958 2.091 5.932 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.637 4.609 4.378 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.174 1.735 3.614 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.432 3.002 2.432 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.690 5.227 2.916 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.528 1.373 4.132 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.149 5.266 3.193 1.00 1.00 H new ATOM 182 N PRO A 40 -8.220 4.227 4.887 1.00 1.00 N ATOM 183 CA PRO A 40 -9.658 4.308 4.748 1.00 1.00 C ATOM 184 C PRO A 40 -10.006 5.130 3.515 1.00 1.00 C ATOM 185 O PRO A 40 -9.809 6.344 3.536 1.00 1.00 O ATOM 186 CB PRO A 40 -10.136 5.001 6.022 1.00 1.00 C ATOM 187 CG PRO A 40 -8.915 5.986 6.298 1.00 1.00 C ATOM 188 CD PRO A 40 -7.750 5.051 5.980 1.00 1.00 C ATOM 0 HA PRO A 40 -10.128 3.333 4.623 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -11.074 5.536 5.875 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.294 4.299 6.841 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -8.933 6.865 5.653 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -8.893 6.346 7.327 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -6.859 5.612 5.697 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.483 4.444 6.845 1.00 1.00 H new ATOM 196 N GLN A 41 -10.507 4.469 2.482 1.00 1.00 N ATOM 197 CA GLN A 41 -10.871 5.160 1.257 1.00 1.00 C ATOM 198 C GLN A 41 -9.650 5.861 0.660 1.00 1.00 C ATOM 199 O GLN A 41 -9.620 7.086 0.560 1.00 1.00 O ATOM 200 CB GLN A 41 -12.007 6.154 1.505 1.00 1.00 C ATOM 201 CG GLN A 41 -13.339 5.604 0.991 1.00 1.00 C ATOM 202 CD GLN A 41 -13.969 4.652 2.009 1.00 1.00 C ATOM 203 OE1 GLN A 41 -13.341 3.734 2.510 1.00 1.00 O ATOM 204 NE2 GLN A 41 -15.242 4.921 2.286 1.00 1.00 N ATOM 0 H GLN A 41 -10.669 3.462 2.468 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.229 4.422 0.539 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -12.084 6.365 2.572 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -11.784 7.098 1.009 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -14.022 6.428 0.787 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -13.181 5.081 0.048 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -15.708 5.706 1.830 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -15.752 4.343 2.954 1.00 1.00 H new ATOM 213 N GLY A 42 -8.671 5.053 0.278 1.00 1.00 N ATOM 214 CA GLY A 42 -7.450 5.580 -0.307 1.00 1.00 C ATOM 215 C GLY A 42 -6.991 6.841 0.428 1.00 1.00 C ATOM 216 O GLY A 42 -6.342 7.705 -0.161 1.00 1.00 O ATOM 0 H GLY A 42 -8.699 4.037 0.362 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.666 4.824 -0.264 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.616 5.808 -1.360 1.00 1.00 H new ATOM 220 N GLY A 43 -7.346 6.908 1.702 1.00 1.00 N ATOM 221 CA GLY A 43 -6.978 8.049 2.523 1.00 1.00 C ATOM 222 C GLY A 43 -5.855 7.685 3.496 1.00 1.00 C ATOM 223 O GLY A 43 -5.117 6.728 3.269 1.00 1.00 O ATOM 0 H GLY A 43 -7.885 6.190 2.187 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -6.658 8.873 1.885 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -7.848 8.397 3.080 1.00 1.00 H new ATOM 227 N ASN A 44 -5.761 8.469 4.561 1.00 1.00 N ATOM 228 CA ASN A 44 -4.740 8.241 5.569 1.00 1.00 C ATOM 229 C ASN A 44 -5.244 8.750 6.922 1.00 1.00 C ATOM 230 O ASN A 44 -5.937 9.764 6.989 1.00 1.00 O ATOM 231 CB ASN A 44 -3.453 8.995 5.230 1.00 1.00 C ATOM 232 CG ASN A 44 -2.860 8.502 3.909 1.00 1.00 C ATOM 233 OD1 ASN A 44 -3.494 8.524 2.867 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.611 8.056 4.010 1.00 1.00 N ATOM 0 H ASN A 44 -6.375 9.262 4.747 1.00 1.00 H new ATOM 0 HA ASN A 44 -4.532 7.172 5.604 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.660 10.063 5.164 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -2.727 8.860 6.031 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -1.127 7.705 3.184 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.138 8.065 4.913 1.00 1.00 H new ATOM 241 N THR A 45 -4.876 8.021 7.966 1.00 1.00 N ATOM 242 CA THR A 45 -5.281 8.386 9.312 1.00 1.00 C ATOM 243 C THR A 45 -4.080 8.894 10.112 1.00 1.00 C ATOM 244 O THR A 45 -4.228 9.327 11.254 1.00 1.00 O ATOM 245 CB THR A 45 -5.963 7.172 9.946 1.00 1.00 C ATOM 246 OG1 THR A 45 -5.244 6.058 9.424 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.390 6.967 9.433 1.00 1.00 C ATOM 0 H THR A 45 -4.302 7.180 7.906 1.00 1.00 H new ATOM 0 HA THR A 45 -5.995 9.209 9.300 1.00 1.00 H new ATOM 0 HB THR A 45 -5.980 7.291 11.029 1.00 1.00 H new ATOM 0 HG1 THR A 45 -4.741 5.626 10.146 1.00 1.00 H new ATOM 0 HG21 THR A 45 -7.828 6.093 9.915 1.00 1.00 H new ATOM 0 HG22 THR A 45 -7.990 7.847 9.664 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.370 6.815 8.354 1.00 1.00 H new ATOM 255 N VAL A 46 -2.917 8.824 9.481 1.00 1.00 N ATOM 256 CA VAL A 46 -1.691 9.271 10.120 1.00 1.00 C ATOM 257 C VAL A 46 -1.177 10.523 9.405 1.00 1.00 C ATOM 258 O VAL A 46 -0.983 11.564 10.031 1.00 1.00 O ATOM 259 CB VAL A 46 -0.669 8.134 10.144 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.658 8.602 10.746 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.216 6.921 10.899 1.00 1.00 C ATOM 0 H VAL A 46 -2.798 8.464 8.534 1.00 1.00 H new ATOM 0 HA VAL A 46 -1.878 9.543 11.159 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.481 7.831 9.114 1.00 1.00 H new ATOM 0 HG11 VAL A 46 1.367 7.774 10.751 1.00 1.00 H new ATOM 0 HG12 VAL A 46 1.060 9.420 10.149 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.493 8.945 11.767 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.469 6.127 10.901 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.447 7.205 11.926 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -2.122 6.566 10.409 1.00 1.00 H new ATOM 271 N HIS A 47 -0.970 10.380 8.104 1.00 1.00 N ATOM 272 CA HIS A 47 -0.482 11.485 7.298 1.00 1.00 C ATOM 273 C HIS A 47 -1.541 11.873 6.264 1.00 1.00 C ATOM 274 O HIS A 47 -1.791 11.167 5.290 1.00 1.00 O ATOM 275 CB HIS A 47 0.868 11.141 6.664 1.00 1.00 C ATOM 276 CG HIS A 47 2.000 11.025 7.656 1.00 1.00 C ATOM 277 ND1 HIS A 47 2.018 11.182 9.011 1.00 1.00 N flip ATOM 278 CD2 HIS A 47 3.296 10.714 7.282 1.00 1.00 C flip ATOM 279 CE1 HIS A 47 3.257 10.977 9.441 1.00 1.00 C flip ATOM 280 NE2 HIS A 47 4.051 10.687 8.370 1.00 1.00 N flip ATOM 0 H HIS A 47 -1.132 9.515 7.588 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.309 12.354 7.933 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.774 10.199 6.123 1.00 1.00 H new ATOM 0 HB3 HIS A 47 1.119 11.907 5.930 1.00 1.00 H new ATOM 0 HD2 HIS A 47 3.634 10.525 6.274 1.00 1.00 H new ATOM 0 HE1 HIS A 47 3.583 11.031 10.469 1.00 1.00 H new ATOM 0 HE2 HIS A 47 5.050 10.485 8.402 1.00 1.00 H new ATOM 288 N PRO A 48 -2.164 13.029 6.502 1.00 1.00 N ATOM 289 CA PRO A 48 -3.197 13.589 5.656 1.00 1.00 C ATOM 290 C PRO A 48 -2.556 14.326 4.489 1.00 1.00 C ATOM 291 O PRO A 48 -3.222 15.160 3.876 1.00 1.00 O ATOM 292 CB PRO A 48 -3.964 14.552 6.559 1.00 1.00 C ATOM 293 CG PRO A 48 -2.849 15.066 7.477 1.00 1.00 C ATOM 294 CD PRO A 48 -1.895 13.884 7.637 1.00 1.00 C ATOM 0 HA PRO A 48 -3.855 12.831 5.231 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -4.434 15.357 5.994 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.755 14.050 7.116 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -2.342 15.926 7.040 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -3.246 15.386 8.440 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -0.856 14.214 7.645 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -2.070 13.360 8.576 1.00 1.00 H new ATOM 302 N GLU A 49 -1.299 14.015 4.207 1.00 1.00 N ATOM 303 CA GLU A 49 -0.595 14.663 3.114 1.00 1.00 C ATOM 304 C GLU A 49 0.107 13.619 2.243 1.00 1.00 C ATOM 305 O GLU A 49 0.833 13.969 1.313 1.00 1.00 O ATOM 306 CB GLU A 49 0.401 15.698 3.640 1.00 1.00 C ATOM 307 CG GLU A 49 1.287 15.099 4.734 1.00 1.00 C ATOM 308 CD GLU A 49 2.556 15.931 4.929 1.00 1.00 C ATOM 309 OE1 GLU A 49 3.191 16.334 3.943 1.00 1.00 O ATOM 310 OE2 GLU A 49 2.878 16.156 6.158 1.00 1.00 O ATOM 0 H GLU A 49 -0.750 13.323 4.717 1.00 1.00 H new ATOM 0 HA GLU A 49 -1.324 15.190 2.499 1.00 1.00 H new ATOM 0 HB2 GLU A 49 1.023 16.059 2.821 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -0.138 16.559 4.035 1.00 1.00 H new ATOM 0 HG2 GLU A 49 0.732 15.051 5.671 1.00 1.00 H new ATOM 0 HG3 GLU A 49 1.556 14.076 4.470 1.00 1.00 H new ATOM 318 N LYS A 50 -0.135 12.359 2.574 1.00 1.00 N ATOM 319 CA LYS A 50 0.465 11.263 1.834 1.00 1.00 C ATOM 320 C LYS A 50 -0.622 10.257 1.450 1.00 1.00 C ATOM 321 O LYS A 50 -0.681 9.160 2.005 1.00 1.00 O ATOM 322 CB LYS A 50 1.620 10.648 2.628 1.00 1.00 C ATOM 323 CG LYS A 50 2.573 11.731 3.137 1.00 1.00 C ATOM 324 CD LYS A 50 3.795 11.859 2.224 1.00 1.00 C ATOM 325 CE LYS A 50 4.571 13.143 2.525 1.00 1.00 C ATOM 326 NZ LYS A 50 5.960 13.038 2.026 1.00 1.00 N ATOM 0 H LYS A 50 -0.739 12.073 3.345 1.00 1.00 H new ATOM 0 HA LYS A 50 0.906 11.627 0.906 1.00 1.00 H new ATOM 0 HB2 LYS A 50 1.225 10.081 3.471 1.00 1.00 H new ATOM 0 HB3 LYS A 50 2.165 9.945 1.998 1.00 1.00 H new ATOM 0 HG2 LYS A 50 2.050 12.686 3.187 1.00 1.00 H new ATOM 0 HG3 LYS A 50 2.895 11.490 4.150 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.447 10.996 2.359 1.00 1.00 H new ATOM 0 HD3 LYS A 50 3.477 11.858 1.182 1.00 1.00 H new ATOM 0 HE2 LYS A 50 4.074 13.993 2.058 1.00 1.00 H new ATOM 0 HE3 LYS A 50 4.577 13.328 3.599 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 6.473 13.918 2.238 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 6.436 12.239 2.491 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 5.949 12.884 0.998 1.00 1.00 H new ATOM 339 N THR A 51 -1.455 10.666 0.505 1.00 1.00 N ATOM 340 CA THR A 51 -2.537 9.814 0.041 1.00 1.00 C ATOM 341 C THR A 51 -2.029 8.838 -1.022 1.00 1.00 C ATOM 342 O THR A 51 -0.836 8.808 -1.323 1.00 1.00 O ATOM 343 CB THR A 51 -3.669 10.715 -0.454 1.00 1.00 C ATOM 344 OG1 THR A 51 -3.085 11.450 -1.527 1.00 1.00 O ATOM 345 CG2 THR A 51 -4.052 11.789 0.567 1.00 1.00 C ATOM 0 H THR A 51 -1.403 11.576 0.048 1.00 1.00 H new ATOM 0 HA THR A 51 -2.925 9.193 0.848 1.00 1.00 H new ATOM 0 HB THR A 51 -4.542 10.105 -0.685 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.752 12.059 -1.908 1.00 1.00 H new ATOM 0 HG21 THR A 51 -4.860 12.401 0.166 1.00 1.00 H new ATOM 0 HG22 THR A 51 -4.382 11.312 1.490 1.00 1.00 H new ATOM 0 HG23 THR A 51 -3.187 12.420 0.773 1.00 1.00 H new ATOM 353 N LEU A 52 -2.959 8.063 -1.561 1.00 1.00 N ATOM 354 CA LEU A 52 -2.620 7.088 -2.584 1.00 1.00 C ATOM 355 C LEU A 52 -2.820 7.714 -3.965 1.00 1.00 C ATOM 356 O LEU A 52 -2.946 7.003 -4.961 1.00 1.00 O ATOM 357 CB LEU A 52 -3.411 5.795 -2.374 1.00 1.00 C ATOM 358 CG LEU A 52 -3.134 5.043 -1.071 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.083 3.853 -0.912 1.00 1.00 C ATOM 360 CD2 LEU A 52 -1.666 4.620 -0.983 1.00 1.00 C ATOM 0 H LEU A 52 -3.947 8.090 -1.309 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.569 6.807 -2.510 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.474 6.032 -2.414 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.202 5.125 -3.208 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.325 5.721 -0.239 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -3.865 3.336 0.022 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.113 4.209 -0.898 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -3.948 3.166 -1.747 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.496 4.087 -0.047 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.425 3.966 -1.821 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.030 5.504 -1.018 1.00 1.00 H new ATOM 372 N ALA A 53 -2.842 9.039 -3.982 1.00 1.00 N ATOM 373 CA ALA A 53 -3.025 9.769 -5.225 1.00 1.00 C ATOM 374 C ALA A 53 -1.705 9.788 -5.998 1.00 1.00 C ATOM 375 O ALA A 53 -0.660 10.125 -5.442 1.00 1.00 O ATOM 376 CB ALA A 53 -3.542 11.176 -4.919 1.00 1.00 C ATOM 0 H ALA A 53 -2.736 9.626 -3.155 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.768 9.278 -5.853 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.679 11.724 -5.851 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.495 11.107 -4.395 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.820 11.701 -4.293 1.00 1.00 H new ATOM 382 N ARG A 54 -1.795 9.422 -7.268 1.00 1.00 N ATOM 383 CA ARG A 54 -0.621 9.394 -8.124 1.00 1.00 C ATOM 384 C ARG A 54 0.153 10.708 -8.007 1.00 1.00 C ATOM 385 O ARG A 54 1.373 10.703 -7.852 1.00 1.00 O ATOM 386 CB ARG A 54 -1.010 9.166 -9.586 1.00 1.00 C ATOM 387 CG ARG A 54 0.232 9.019 -10.467 1.00 1.00 C ATOM 388 CD ARG A 54 -0.118 9.208 -11.944 1.00 1.00 C ATOM 389 NE ARG A 54 0.316 10.547 -12.401 1.00 1.00 N ATOM 390 CZ ARG A 54 0.056 11.050 -13.626 1.00 1.00 C ATOM 391 NH1 ARG A 54 0.492 12.259 -13.927 1.00 1.00 N ATOM 392 NH2 ARG A 54 -0.639 10.328 -14.530 1.00 1.00 N ATOM 0 H ARG A 54 -2.663 9.142 -7.725 1.00 1.00 H new ATOM 0 HA ARG A 54 0.009 8.568 -7.795 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -1.626 8.270 -9.667 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.614 10.001 -9.940 1.00 1.00 H new ATOM 0 HG2 ARG A 54 0.981 9.753 -10.170 1.00 1.00 H new ATOM 0 HG3 ARG A 54 0.674 8.034 -10.317 1.00 1.00 H new ATOM 0 HD2 ARG A 54 0.366 8.436 -12.542 1.00 1.00 H new ATOM 0 HD3 ARG A 54 -1.193 9.096 -12.089 1.00 1.00 H new ATOM 0 HE ARG A 54 0.845 11.126 -11.749 1.00 1.00 H new ATOM 0 HH11 ARG A 54 1.017 12.798 -13.238 1.00 1.00 H new ATOM 0 HH12 ARG A 54 0.304 12.654 -14.848 1.00 1.00 H new ATOM 0 HH21 ARG A 54 -0.972 9.394 -14.290 1.00 1.00 H new ATOM 0 HH22 ARG A 54 -0.831 10.716 -15.454 1.00 1.00 H new ATOM 402 N ALA A 55 -0.588 11.803 -8.087 1.00 1.00 N ATOM 403 CA ALA A 55 0.013 13.123 -7.993 1.00 1.00 C ATOM 404 C ALA A 55 1.078 13.116 -6.895 1.00 1.00 C ATOM 405 O ALA A 55 2.171 13.650 -7.081 1.00 1.00 O ATOM 406 CB ALA A 55 -1.079 14.165 -7.740 1.00 1.00 C ATOM 0 H ALA A 55 -1.600 11.804 -8.216 1.00 1.00 H new ATOM 0 HA ALA A 55 0.505 13.388 -8.929 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.628 15.155 -7.670 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -1.794 14.150 -8.563 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.594 13.934 -6.807 1.00 1.00 H new ATOM 412 N ARG A 56 0.723 12.505 -5.774 1.00 1.00 N ATOM 413 CA ARG A 56 1.635 12.422 -4.646 1.00 1.00 C ATOM 414 C ARG A 56 2.562 11.215 -4.801 1.00 1.00 C ATOM 415 O ARG A 56 3.772 11.329 -4.611 1.00 1.00 O ATOM 416 CB ARG A 56 0.869 12.301 -3.327 1.00 1.00 C ATOM 417 CG ARG A 56 1.224 13.450 -2.380 1.00 1.00 C ATOM 418 CD ARG A 56 2.695 13.382 -1.963 1.00 1.00 C ATOM 419 NE ARG A 56 3.065 14.603 -1.213 1.00 1.00 N ATOM 420 CZ ARG A 56 3.140 15.835 -1.761 1.00 1.00 C ATOM 421 NH1 ARG A 56 3.480 16.855 -0.997 1.00 1.00 N ATOM 422 NH2 ARG A 56 2.870 16.019 -3.071 1.00 1.00 N ATOM 0 H ARG A 56 -0.184 12.063 -5.623 1.00 1.00 H new ATOM 0 HA ARG A 56 2.225 13.338 -4.628 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -0.203 12.305 -3.523 1.00 1.00 H new ATOM 0 HB3 ARG A 56 1.103 11.348 -2.852 1.00 1.00 H new ATOM 0 HG2 ARG A 56 1.024 14.404 -2.869 1.00 1.00 H new ATOM 0 HG3 ARG A 56 0.589 13.406 -1.495 1.00 1.00 H new ATOM 0 HD2 ARG A 56 2.866 12.500 -1.346 1.00 1.00 H new ATOM 0 HD3 ARG A 56 3.327 13.281 -2.845 1.00 1.00 H new ATOM 0 HE ARG A 56 3.277 14.508 -0.220 1.00 1.00 H new ATOM 0 HH11 ARG A 56 3.682 16.707 -0.008 1.00 1.00 H new ATOM 0 HH12 ARG A 56 3.541 17.792 -1.395 1.00 1.00 H new ATOM 0 HH21 ARG A 56 2.607 15.224 -3.654 1.00 1.00 H new ATOM 0 HH22 ARG A 56 2.929 16.953 -3.478 1.00 1.00 H new ATOM 432 N ARG A 57 1.960 10.086 -5.145 1.00 1.00 N ATOM 433 CA ARG A 57 2.717 8.859 -5.328 1.00 1.00 C ATOM 434 C ARG A 57 3.839 9.075 -6.345 1.00 1.00 C ATOM 435 O ARG A 57 4.794 8.301 -6.395 1.00 1.00 O ATOM 436 CB ARG A 57 1.814 7.722 -5.809 1.00 1.00 C ATOM 437 CG ARG A 57 1.727 6.610 -4.762 1.00 1.00 C ATOM 438 CD ARG A 57 0.313 6.505 -4.189 1.00 1.00 C ATOM 439 NE ARG A 57 -0.321 5.244 -4.632 1.00 1.00 N ATOM 440 CZ ARG A 57 -1.021 5.111 -5.779 1.00 1.00 C ATOM 441 NH1 ARG A 57 -1.545 3.937 -6.077 1.00 1.00 N ATOM 442 NH2 ARG A 57 -1.183 6.163 -6.609 1.00 1.00 N ATOM 0 H ARG A 57 0.956 9.995 -5.302 1.00 1.00 H new ATOM 0 HA ARG A 57 3.144 8.585 -4.363 1.00 1.00 H new ATOM 0 HB2 ARG A 57 0.816 8.109 -6.018 1.00 1.00 H new ATOM 0 HB3 ARG A 57 2.201 7.317 -6.744 1.00 1.00 H new ATOM 0 HG2 ARG A 57 2.012 5.659 -5.212 1.00 1.00 H new ATOM 0 HG3 ARG A 57 2.435 6.807 -3.957 1.00 1.00 H new ATOM 0 HD2 ARG A 57 0.350 6.540 -3.100 1.00 1.00 H new ATOM 0 HD3 ARG A 57 -0.285 7.356 -4.515 1.00 1.00 H new ATOM 0 HE ARG A 57 -0.223 4.424 -4.034 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -1.418 3.147 -5.445 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -2.077 3.820 -6.940 1.00 1.00 H new ATOM 0 HH21 ARG A 57 -0.775 7.067 -6.372 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -1.713 6.054 -7.473 1.00 1.00 H new ATOM 452 N GLU A 58 3.688 10.131 -7.130 1.00 1.00 N ATOM 453 CA GLU A 58 4.677 10.458 -8.143 1.00 1.00 C ATOM 454 C GLU A 58 5.890 11.135 -7.501 1.00 1.00 C ATOM 455 O GLU A 58 7.031 10.779 -7.792 1.00 1.00 O ATOM 456 CB GLU A 58 4.072 11.341 -9.236 1.00 1.00 C ATOM 457 CG GLU A 58 4.443 12.810 -9.023 1.00 1.00 C ATOM 458 CD GLU A 58 3.856 13.689 -10.130 1.00 1.00 C ATOM 459 OE1 GLU A 58 4.609 14.344 -10.866 1.00 1.00 O ATOM 460 OE2 GLU A 58 2.569 13.677 -10.211 1.00 1.00 O ATOM 0 H GLU A 58 2.896 10.772 -7.085 1.00 1.00 H new ATOM 0 HA GLU A 58 5.008 9.531 -8.612 1.00 1.00 H new ATOM 0 HB2 GLU A 58 4.426 11.011 -10.213 1.00 1.00 H new ATOM 0 HB3 GLU A 58 2.987 11.233 -9.237 1.00 1.00 H new ATOM 0 HG2 GLU A 58 4.074 13.145 -8.053 1.00 1.00 H new ATOM 0 HG3 GLU A 58 5.528 12.916 -9.006 1.00 1.00 H new ATOM 468 N ALA A 59 5.602 12.100 -6.640 1.00 1.00 N ATOM 469 CA ALA A 59 6.655 12.830 -5.954 1.00 1.00 C ATOM 470 C ALA A 59 7.634 11.836 -5.326 1.00 1.00 C ATOM 471 O ALA A 59 8.836 11.902 -5.575 1.00 1.00 O ATOM 472 CB ALA A 59 6.034 13.769 -4.918 1.00 1.00 C ATOM 0 H ALA A 59 4.655 12.393 -6.402 1.00 1.00 H new ATOM 0 HA ALA A 59 7.216 13.445 -6.658 1.00 1.00 H new ATOM 0 HB1 ALA A 59 6.824 14.316 -4.404 1.00 1.00 H new ATOM 0 HB2 ALA A 59 5.370 14.474 -5.418 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.465 13.186 -4.193 1.00 1.00 H new ATOM 478 N ASN A 60 7.082 10.937 -4.525 1.00 1.00 N ATOM 479 CA ASN A 60 7.891 9.930 -3.860 1.00 1.00 C ATOM 480 C ASN A 60 8.253 8.830 -4.860 1.00 1.00 C ATOM 481 O ASN A 60 9.313 8.215 -4.755 1.00 1.00 O ATOM 482 CB ASN A 60 7.126 9.283 -2.703 1.00 1.00 C ATOM 483 CG ASN A 60 7.092 10.207 -1.484 1.00 1.00 C ATOM 484 OD1 ASN A 60 6.800 11.472 -1.772 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 7.315 9.798 -0.357 1.00 1.00 N flip ATOM 0 H ASN A 60 6.084 10.885 -4.321 1.00 1.00 H new ATOM 0 HA ASN A 60 8.785 10.419 -3.473 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.108 9.054 -3.018 1.00 1.00 H new ATOM 0 HB3 ASN A 60 7.597 8.338 -2.434 1.00 1.00 H new ATOM 0 HD21 ASN A 60 7.533 8.813 -0.206 1.00 1.00 H new ATOM 0 HD22 ASN A 60 7.283 10.441 0.434 1.00 1.00 H new ATOM 492 N GLY A 61 7.352 8.617 -5.808 1.00 1.00 N ATOM 493 CA GLY A 61 7.564 7.602 -6.826 1.00 1.00 C ATOM 494 C GLY A 61 7.081 6.233 -6.345 1.00 1.00 C ATOM 495 O GLY A 61 7.877 5.418 -5.880 1.00 1.00 O ATOM 0 H GLY A 61 6.474 9.130 -5.893 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.033 7.879 -7.737 1.00 1.00 H new ATOM 0 HA3 GLY A 61 8.623 7.550 -7.078 1.00 1.00 H new ATOM 499 N ILE A 62 5.779 6.022 -6.471 1.00 1.00 N ATOM 500 CA ILE A 62 5.181 4.765 -6.055 1.00 1.00 C ATOM 501 C ILE A 62 4.081 4.376 -7.045 1.00 1.00 C ATOM 502 O ILE A 62 2.926 4.201 -6.658 1.00 1.00 O ATOM 503 CB ILE A 62 4.699 4.855 -4.605 1.00 1.00 C ATOM 504 CG1 ILE A 62 5.812 5.371 -3.690 1.00 1.00 C ATOM 505 CG2 ILE A 62 4.140 3.513 -4.129 1.00 1.00 C ATOM 506 CD1 ILE A 62 5.491 5.081 -2.222 1.00 1.00 C ATOM 0 H ILE A 62 5.122 6.701 -6.855 1.00 1.00 H new ATOM 0 HA ILE A 62 5.923 3.966 -6.072 1.00 1.00 H new ATOM 0 HB ILE A 62 3.884 5.577 -4.559 1.00 1.00 H new ATOM 0 HG12 ILE A 62 6.757 4.900 -3.960 1.00 1.00 H new ATOM 0 HG13 ILE A 62 5.938 6.444 -3.834 1.00 1.00 H new ATOM 0 HG21 ILE A 62 3.805 3.604 -3.096 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.299 3.225 -4.760 1.00 1.00 H new ATOM 0 HG23 ILE A 62 4.918 2.752 -4.192 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.297 5.457 -1.592 1.00 1.00 H new ATOM 0 HD12 ILE A 62 4.557 5.573 -1.950 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.390 4.005 -2.077 1.00 1.00 H new ATOM 518 N ARG A 63 4.478 4.252 -8.303 1.00 1.00 N ATOM 519 CA ARG A 63 3.540 3.887 -9.351 1.00 1.00 C ATOM 520 C ARG A 63 3.908 2.524 -9.941 1.00 1.00 C ATOM 521 O ARG A 63 4.149 2.408 -11.141 1.00 1.00 O ATOM 522 CB ARG A 63 3.529 4.932 -10.468 1.00 1.00 C ATOM 523 CG ARG A 63 3.811 6.330 -9.914 1.00 1.00 C ATOM 524 CD ARG A 63 3.313 7.412 -10.875 1.00 1.00 C ATOM 525 NE ARG A 63 4.350 7.702 -11.891 1.00 1.00 N ATOM 526 CZ ARG A 63 4.456 8.876 -12.550 1.00 1.00 C ATOM 527 NH1 ARG A 63 5.421 9.026 -13.438 1.00 1.00 N ATOM 528 NH2 ARG A 63 3.588 9.880 -12.305 1.00 1.00 N ATOM 0 H ARG A 63 5.436 4.398 -8.620 1.00 1.00 H new ATOM 0 HA ARG A 63 2.547 3.838 -8.905 1.00 1.00 H new ATOM 0 HB2 ARG A 63 4.278 4.676 -11.218 1.00 1.00 H new ATOM 0 HB3 ARG A 63 2.561 4.924 -10.969 1.00 1.00 H new ATOM 0 HG2 ARG A 63 3.324 6.446 -8.946 1.00 1.00 H new ATOM 0 HG3 ARG A 63 4.882 6.450 -9.749 1.00 1.00 H new ATOM 0 HD2 ARG A 63 2.396 7.082 -11.363 1.00 1.00 H new ATOM 0 HD3 ARG A 63 3.071 8.319 -10.321 1.00 1.00 H new ATOM 0 HE ARG A 63 5.026 6.970 -12.107 1.00 1.00 H new ATOM 0 HH11 ARG A 63 6.072 8.262 -13.617 1.00 1.00 H new ATOM 0 HH12 ARG A 63 5.515 9.906 -13.945 1.00 1.00 H new ATOM 0 HH21 ARG A 63 2.845 9.755 -11.618 1.00 1.00 H new ATOM 0 HH22 ARG A 63 3.675 10.764 -12.807 1.00 1.00 H new ATOM 538 N THR A 64 3.938 1.527 -9.069 1.00 1.00 N ATOM 539 CA THR A 64 4.272 0.176 -9.488 1.00 1.00 C ATOM 540 C THR A 64 3.657 -0.847 -8.531 1.00 1.00 C ATOM 541 O THR A 64 3.475 -0.564 -7.348 1.00 1.00 O ATOM 542 CB THR A 64 5.795 0.075 -9.589 1.00 1.00 C ATOM 543 OG1 THR A 64 6.259 0.555 -8.330 1.00 1.00 O ATOM 544 CG2 THR A 64 6.382 1.061 -10.602 1.00 1.00 C ATOM 0 H THR A 64 3.737 1.628 -8.074 1.00 1.00 H new ATOM 0 HA THR A 64 3.851 -0.049 -10.468 1.00 1.00 H new ATOM 0 HB THR A 64 6.073 -0.941 -9.868 1.00 1.00 H new ATOM 0 HG1 THR A 64 6.833 1.337 -8.469 1.00 1.00 H new ATOM 0 HG21 THR A 64 7.466 0.948 -10.634 1.00 1.00 H new ATOM 0 HG22 THR A 64 5.966 0.859 -11.589 1.00 1.00 H new ATOM 0 HG23 THR A 64 6.133 2.080 -10.305 1.00 1.00 H new ATOM 552 N VAL A 65 3.355 -2.015 -9.079 1.00 1.00 N ATOM 553 CA VAL A 65 2.764 -3.081 -8.289 1.00 1.00 C ATOM 554 C VAL A 65 3.783 -3.569 -7.257 1.00 1.00 C ATOM 555 O VAL A 65 3.479 -3.645 -6.067 1.00 1.00 O ATOM 556 CB VAL A 65 2.262 -4.197 -9.208 1.00 1.00 C ATOM 557 CG1 VAL A 65 1.929 -5.458 -8.407 1.00 1.00 C ATOM 558 CG2 VAL A 65 1.056 -3.733 -10.026 1.00 1.00 C ATOM 0 H VAL A 65 3.509 -2.246 -10.061 1.00 1.00 H new ATOM 0 HA VAL A 65 1.896 -2.715 -7.741 1.00 1.00 H new ATOM 0 HB VAL A 65 3.064 -4.444 -9.904 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.575 -6.236 -9.083 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.823 -5.807 -7.889 1.00 1.00 H new ATOM 0 HG13 VAL A 65 1.152 -5.231 -7.677 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.719 -4.545 -10.670 1.00 1.00 H new ATOM 0 HG22 VAL A 65 0.249 -3.446 -9.353 1.00 1.00 H new ATOM 0 HG23 VAL A 65 1.339 -2.877 -10.639 1.00 1.00 H new ATOM 568 N ARG A 66 4.970 -3.888 -7.749 1.00 1.00 N ATOM 569 CA ARG A 66 6.036 -4.367 -6.885 1.00 1.00 C ATOM 570 C ARG A 66 6.153 -3.477 -5.646 1.00 1.00 C ATOM 571 O ARG A 66 5.902 -3.927 -4.528 1.00 1.00 O ATOM 572 CB ARG A 66 7.377 -4.384 -7.621 1.00 1.00 C ATOM 573 CG ARG A 66 7.485 -5.607 -8.534 1.00 1.00 C ATOM 574 CD ARG A 66 8.897 -5.740 -9.108 1.00 1.00 C ATOM 575 NE ARG A 66 8.905 -6.728 -10.209 1.00 1.00 N ATOM 576 CZ ARG A 66 8.434 -6.482 -11.450 1.00 1.00 C ATOM 577 NH1 ARG A 66 8.491 -7.438 -12.358 1.00 1.00 N ATOM 578 NH2 ARG A 66 7.912 -5.275 -11.758 1.00 1.00 N ATOM 0 H ARG A 66 5.218 -3.824 -8.736 1.00 1.00 H new ATOM 0 HA ARG A 66 5.788 -5.385 -6.584 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.483 -3.474 -8.212 1.00 1.00 H new ATOM 0 HB3 ARG A 66 8.193 -4.392 -6.898 1.00 1.00 H new ATOM 0 HG2 ARG A 66 7.230 -6.507 -7.974 1.00 1.00 H new ATOM 0 HG3 ARG A 66 6.764 -5.523 -9.347 1.00 1.00 H new ATOM 0 HD2 ARG A 66 9.242 -4.773 -9.474 1.00 1.00 H new ATOM 0 HD3 ARG A 66 9.589 -6.050 -8.325 1.00 1.00 H new ATOM 0 HE ARG A 66 9.290 -7.653 -10.019 1.00 1.00 H new ATOM 0 HH11 ARG A 66 8.887 -8.347 -12.118 1.00 1.00 H new ATOM 0 HH12 ARG A 66 8.139 -7.268 -13.300 1.00 1.00 H new ATOM 0 HH21 ARG A 66 7.872 -4.541 -11.051 1.00 1.00 H new ATOM 0 HH22 ARG A 66 7.558 -5.097 -12.698 1.00 1.00 H new ATOM 588 N ASP A 67 6.535 -2.231 -5.885 1.00 1.00 N ATOM 589 CA ASP A 67 6.689 -1.275 -4.802 1.00 1.00 C ATOM 590 C ASP A 67 5.608 -1.525 -3.749 1.00 1.00 C ATOM 591 O ASP A 67 5.882 -1.481 -2.550 1.00 1.00 O ATOM 592 CB ASP A 67 6.533 0.161 -5.309 1.00 1.00 C ATOM 593 CG ASP A 67 7.804 0.783 -5.891 1.00 1.00 C ATOM 594 OD1 ASP A 67 7.851 1.988 -6.178 1.00 1.00 O ATOM 595 OD2 ASP A 67 8.788 -0.036 -6.050 1.00 1.00 O ATOM 0 H ASP A 67 6.742 -1.862 -6.813 1.00 1.00 H new ATOM 0 HA ASP A 67 7.685 -1.402 -4.379 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.756 0.178 -6.073 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.185 0.785 -4.486 1.00 1.00 H new ATOM 601 N VAL A 68 4.402 -1.781 -4.234 1.00 1.00 N ATOM 602 CA VAL A 68 3.278 -2.037 -3.350 1.00 1.00 C ATOM 603 C VAL A 68 3.253 -3.523 -2.982 1.00 1.00 C ATOM 604 O VAL A 68 2.225 -4.183 -3.123 1.00 1.00 O ATOM 605 CB VAL A 68 1.979 -1.561 -4.002 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.794 -1.728 -3.049 1.00 1.00 C ATOM 607 CG2 VAL A 68 2.103 -0.111 -4.474 1.00 1.00 C ATOM 0 H VAL A 68 4.179 -1.817 -5.229 1.00 1.00 H new ATOM 0 HA VAL A 68 3.385 -1.473 -2.423 1.00 1.00 H new ATOM 0 HB VAL A 68 1.795 -2.184 -4.877 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -0.117 -1.382 -3.537 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.686 -2.780 -2.783 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.967 -1.141 -2.147 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.166 0.203 -4.934 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.322 0.532 -3.621 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.909 -0.034 -5.203 1.00 1.00 H new ATOM 617 N ALA A 69 4.397 -4.004 -2.518 1.00 1.00 N ATOM 618 CA ALA A 69 4.519 -5.399 -2.130 1.00 1.00 C ATOM 619 C ALA A 69 5.835 -5.601 -1.377 1.00 1.00 C ATOM 620 O ALA A 69 5.875 -6.302 -0.367 1.00 1.00 O ATOM 621 CB ALA A 69 4.416 -6.286 -3.372 1.00 1.00 C ATOM 0 H ALA A 69 5.247 -3.453 -2.402 1.00 1.00 H new ATOM 0 HA ALA A 69 3.708 -5.683 -1.459 1.00 1.00 H new ATOM 0 HB1 ALA A 69 4.508 -7.332 -3.080 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.451 -6.127 -3.854 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.216 -6.032 -4.068 1.00 1.00 H new ATOM 627 N ALA A 70 6.880 -4.975 -1.898 1.00 1.00 N ATOM 628 CA ALA A 70 8.194 -5.077 -1.287 1.00 1.00 C ATOM 629 C ALA A 70 8.259 -4.153 -0.069 1.00 1.00 C ATOM 630 O ALA A 70 8.394 -4.587 1.073 1.00 1.00 O ATOM 631 CB ALA A 70 9.267 -4.747 -2.327 1.00 1.00 C ATOM 0 H ALA A 70 6.843 -4.395 -2.736 1.00 1.00 H new ATOM 0 HA ALA A 70 8.378 -6.094 -0.939 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.253 -4.823 -1.869 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.197 -5.450 -3.157 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.116 -3.733 -2.696 1.00 1.00 H new ATOM 637 N TYR A 71 8.160 -2.851 -0.343 1.00 1.00 N ATOM 638 CA TYR A 71 8.205 -1.846 0.701 1.00 1.00 C ATOM 639 C TYR A 71 7.383 -2.306 1.896 1.00 1.00 C ATOM 640 O TYR A 71 7.918 -2.358 3.002 1.00 1.00 O ATOM 641 CB TYR A 71 7.674 -0.524 0.155 1.00 1.00 C ATOM 642 CG TYR A 71 8.757 0.489 -0.132 1.00 1.00 C ATOM 643 CD1 TYR A 71 8.532 1.846 0.127 1.00 1.00 C ATOM 644 CD2 TYR A 71 9.986 0.070 -0.655 1.00 1.00 C ATOM 645 CE1 TYR A 71 9.536 2.785 -0.138 1.00 1.00 C ATOM 646 CE2 TYR A 71 10.991 1.008 -0.920 1.00 1.00 C ATOM 647 CZ TYR A 71 10.766 2.366 -0.662 1.00 1.00 C ATOM 648 OH TYR A 71 11.744 3.280 -0.919 1.00 1.00 O ATOM 0 H TYR A 71 8.048 -2.475 -1.284 1.00 1.00 H new ATOM 0 HA TYR A 71 9.234 -1.702 1.029 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.116 -0.717 -0.761 1.00 1.00 H new ATOM 0 HB3 TYR A 71 6.972 -0.100 0.873 1.00 1.00 H new ATOM 0 HD1 TYR A 71 7.584 2.169 0.531 1.00 1.00 H new ATOM 0 HD2 TYR A 71 10.159 -0.977 -0.854 1.00 1.00 H new ATOM 0 HE1 TYR A 71 9.362 3.832 0.061 1.00 1.00 H new ATOM 0 HE2 TYR A 71 11.939 0.685 -1.323 1.00 1.00 H new ATOM 0 HH TYR A 71 12.533 2.823 -1.278 1.00 1.00 H new ATOM 658 N ILE A 72 6.119 -2.626 1.659 1.00 1.00 N ATOM 659 CA ILE A 72 5.247 -3.077 2.730 1.00 1.00 C ATOM 660 C ILE A 72 6.029 -4.004 3.662 1.00 1.00 C ATOM 661 O ILE A 72 5.830 -3.984 4.876 1.00 1.00 O ATOM 662 CB ILE A 72 3.977 -3.709 2.158 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.317 -4.869 1.220 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.101 -2.657 1.473 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.240 -5.955 1.279 1.00 1.00 C ATOM 0 H ILE A 72 5.678 -2.582 0.740 1.00 1.00 H new ATOM 0 HA ILE A 72 4.911 -2.231 3.329 1.00 1.00 H new ATOM 0 HB ILE A 72 3.399 -4.121 2.985 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.411 -4.500 0.199 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.282 -5.294 1.496 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.205 -3.133 1.075 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.816 -1.894 2.197 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.658 -2.194 0.658 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.506 -6.768 0.603 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.165 -6.339 2.297 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.281 -5.533 0.979 1.00 1.00 H new ATOM 677 N ARG A 73 6.904 -4.796 3.059 1.00 1.00 N ATOM 678 CA ARG A 73 7.717 -5.730 3.819 1.00 1.00 C ATOM 679 C ARG A 73 8.575 -4.978 4.839 1.00 1.00 C ATOM 680 O ARG A 73 8.445 -5.191 6.043 1.00 1.00 O ATOM 681 CB ARG A 73 8.627 -6.544 2.898 1.00 1.00 C ATOM 682 CG ARG A 73 9.217 -7.748 3.635 1.00 1.00 C ATOM 683 CD ARG A 73 9.002 -9.038 2.840 1.00 1.00 C ATOM 684 NE ARG A 73 10.116 -9.979 3.090 1.00 1.00 N ATOM 685 CZ ARG A 73 10.401 -11.040 2.306 1.00 1.00 C ATOM 686 NH1 ARG A 73 11.421 -11.815 2.623 1.00 1.00 N ATOM 687 NH2 ARG A 73 9.654 -11.304 1.213 1.00 1.00 N ATOM 0 H ARG A 73 7.067 -4.810 2.052 1.00 1.00 H new ATOM 0 HA ARG A 73 7.043 -6.411 4.338 1.00 1.00 H new ATOM 0 HB2 ARG A 73 8.061 -6.885 2.031 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.432 -5.911 2.525 1.00 1.00 H new ATOM 0 HG2 ARG A 73 10.283 -7.591 3.799 1.00 1.00 H new ATOM 0 HG3 ARG A 73 8.753 -7.840 4.617 1.00 1.00 H new ATOM 0 HD2 ARG A 73 8.056 -9.498 3.126 1.00 1.00 H new ATOM 0 HD3 ARG A 73 8.938 -8.812 1.776 1.00 1.00 H new ATOM 0 HE ARG A 73 10.706 -9.816 3.906 1.00 1.00 H new ATOM 0 HH11 ARG A 73 11.981 -11.608 3.450 1.00 1.00 H new ATOM 0 HH12 ARG A 73 11.650 -12.621 2.041 1.00 1.00 H new ATOM 0 HH21 ARG A 73 8.868 -10.700 0.975 1.00 1.00 H new ATOM 0 HH22 ARG A 73 9.876 -12.108 0.626 1.00 1.00 H new ATOM 697 N ASN A 74 9.434 -4.113 4.318 1.00 1.00 N ATOM 698 CA ASN A 74 10.314 -3.329 5.168 1.00 1.00 C ATOM 699 C ASN A 74 10.217 -1.854 4.771 1.00 1.00 C ATOM 700 O ASN A 74 11.117 -1.283 4.159 1.00 1.00 O ATOM 701 CB ASN A 74 11.771 -3.767 5.007 1.00 1.00 C ATOM 702 CG ASN A 74 12.589 -3.416 6.251 1.00 1.00 C ATOM 703 OD1 ASN A 74 13.487 -2.591 6.222 1.00 1.00 O ATOM 704 ND2 ASN A 74 12.231 -4.088 7.341 1.00 1.00 N ATOM 0 H ASN A 74 9.539 -3.938 3.319 1.00 1.00 H new ATOM 0 HA ASN A 74 10.005 -3.479 6.203 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.814 -4.842 4.830 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.206 -3.282 4.133 1.00 1.00 H new ATOM 0 HD21 ASN A 74 12.718 -3.926 8.223 1.00 1.00 H new ATOM 0 HD22 ASN A 74 11.470 -4.765 7.296 1.00 1.00 H new ATOM 711 N PRO A 75 9.089 -1.243 5.138 1.00 1.00 N ATOM 712 CA PRO A 75 8.788 0.146 4.868 1.00 1.00 C ATOM 713 C PRO A 75 9.448 1.025 5.920 1.00 1.00 C ATOM 714 O PRO A 75 10.033 0.489 6.861 1.00 1.00 O ATOM 715 CB PRO A 75 7.266 0.241 4.952 1.00 1.00 C ATOM 716 CG PRO A 75 6.892 -0.846 5.900 1.00 1.00 C ATOM 717 CD PRO A 75 8.010 -1.885 5.858 1.00 1.00 C ATOM 0 HA PRO A 75 9.157 0.479 3.898 1.00 1.00 H new ATOM 0 HB2 PRO A 75 6.946 1.217 5.317 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.802 0.098 3.976 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.771 -0.452 6.909 1.00 1.00 H new ATOM 0 HG3 PRO A 75 5.940 -1.294 5.616 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.321 -2.171 6.863 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.685 -2.795 5.353 1.00 1.00 H new ATOM 725 N GLY A 76 9.348 2.335 5.748 1.00 1.00 N ATOM 726 CA GLY A 76 9.945 3.262 6.695 1.00 1.00 C ATOM 727 C GLY A 76 8.992 3.548 7.857 1.00 1.00 C ATOM 728 O GLY A 76 7.957 2.906 8.026 1.00 1.00 O ATOM 0 H GLY A 76 8.863 2.777 4.967 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.877 2.846 7.078 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.196 4.194 6.188 1.00 1.00 H new ATOM 732 N PRO A 77 9.370 4.541 8.666 1.00 1.00 N ATOM 733 CA PRO A 77 8.621 4.980 9.823 1.00 1.00 C ATOM 734 C PRO A 77 7.250 5.476 9.386 1.00 1.00 C ATOM 735 O PRO A 77 7.108 5.895 8.239 1.00 1.00 O ATOM 736 CB PRO A 77 9.450 6.116 10.418 1.00 1.00 C ATOM 737 CG PRO A 77 10.361 6.576 9.331 1.00 1.00 C ATOM 738 CD PRO A 77 10.580 5.316 8.497 1.00 1.00 C ATOM 0 HA PRO A 77 8.455 4.183 10.548 1.00 1.00 H new ATOM 0 HB2 PRO A 77 8.809 6.929 10.759 1.00 1.00 H new ATOM 0 HB3 PRO A 77 10.017 5.773 11.283 1.00 1.00 H new ATOM 0 HG2 PRO A 77 9.912 7.375 8.741 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.299 6.962 9.729 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.749 5.561 7.448 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.454 4.763 8.840 1.00 1.00 H new ATOM 746 N GLY A 78 6.282 5.419 10.290 1.00 1.00 N ATOM 747 CA GLY A 78 4.937 5.866 9.974 1.00 1.00 C ATOM 748 C GLY A 78 4.051 4.689 9.561 1.00 1.00 C ATOM 749 O GLY A 78 2.856 4.674 9.853 1.00 1.00 O ATOM 0 H GLY A 78 6.403 5.070 11.241 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.503 6.366 10.840 1.00 1.00 H new ATOM 0 HA3 GLY A 78 4.973 6.599 9.168 1.00 1.00 H new ATOM 753 N MET A 79 4.671 3.730 8.889 1.00 1.00 N ATOM 754 CA MET A 79 3.954 2.551 8.433 1.00 1.00 C ATOM 755 C MET A 79 4.563 1.277 9.022 1.00 1.00 C ATOM 756 O MET A 79 5.769 1.049 8.977 1.00 1.00 O ATOM 757 CB MET A 79 4.003 2.482 6.905 1.00 1.00 C ATOM 758 CG MET A 79 2.795 1.724 6.352 1.00 1.00 C ATOM 759 SD MET A 79 2.578 2.102 4.621 1.00 1.00 S ATOM 760 CE MET A 79 3.089 0.553 3.898 1.00 1.00 C ATOM 0 H MET A 79 5.662 3.745 8.649 1.00 1.00 H new ATOM 0 HA MET A 79 2.920 2.625 8.769 1.00 1.00 H new ATOM 0 HB2 MET A 79 4.024 3.491 6.492 1.00 1.00 H new ATOM 0 HB3 MET A 79 4.922 1.989 6.589 1.00 1.00 H new ATOM 0 HG2 MET A 79 2.937 0.651 6.484 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.898 1.997 6.908 1.00 1.00 H new ATOM 0 HE1 MET A 79 3.014 0.616 2.812 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.121 0.343 4.179 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.444 -0.248 4.260 1.00 1.00 H new ATOM 770 N PRO A 80 3.687 0.440 9.583 1.00 1.00 N ATOM 771 CA PRO A 80 4.042 -0.821 10.198 1.00 1.00 C ATOM 772 C PRO A 80 4.833 -1.665 9.210 1.00 1.00 C ATOM 773 O PRO A 80 5.584 -1.102 8.415 1.00 1.00 O ATOM 774 CB PRO A 80 2.707 -1.481 10.536 1.00 1.00 C ATOM 775 CG PRO A 80 1.730 -0.394 10.604 1.00 1.00 C ATOM 776 CD PRO A 80 2.261 0.677 9.654 1.00 1.00 C ATOM 0 HA PRO A 80 4.665 -0.701 11.084 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.428 -2.210 9.776 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.764 -2.015 11.484 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.740 -0.734 10.301 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.638 -0.010 11.620 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.798 0.597 8.670 1.00 1.00 H new ATOM 0 HD3 PRO A 80 2.045 1.678 10.027 1.00 1.00 H new ATOM 784 N ALA A 81 4.658 -2.977 9.276 1.00 1.00 N ATOM 785 CA ALA A 81 5.367 -3.873 8.379 1.00 1.00 C ATOM 786 C ALA A 81 4.551 -5.154 8.194 1.00 1.00 C ATOM 787 O ALA A 81 3.667 -5.451 8.995 1.00 1.00 O ATOM 788 CB ALA A 81 6.767 -4.148 8.932 1.00 1.00 C ATOM 0 H ALA A 81 4.035 -3.441 9.937 1.00 1.00 H new ATOM 0 HA ALA A 81 5.489 -3.415 7.397 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.299 -4.820 8.259 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.316 -3.210 9.016 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.685 -4.610 9.916 1.00 1.00 H new ATOM 794 N PHE A 82 4.878 -5.878 7.134 1.00 1.00 N ATOM 795 CA PHE A 82 4.187 -7.120 6.834 1.00 1.00 C ATOM 796 C PHE A 82 5.141 -8.142 6.210 1.00 1.00 C ATOM 797 O PHE A 82 5.557 -7.988 5.063 1.00 1.00 O ATOM 798 CB PHE A 82 3.086 -6.787 5.825 1.00 1.00 C ATOM 799 CG PHE A 82 2.101 -5.721 6.310 1.00 1.00 C ATOM 800 CD1 PHE A 82 2.415 -4.403 6.195 1.00 1.00 C ATOM 801 CD2 PHE A 82 0.911 -6.092 6.854 1.00 1.00 C ATOM 802 CE1 PHE A 82 1.501 -3.414 6.645 1.00 1.00 C ATOM 803 CE2 PHE A 82 -0.003 -5.103 7.303 1.00 1.00 C ATOM 804 CZ PHE A 82 0.311 -3.784 7.189 1.00 1.00 C ATOM 0 H PHE A 82 5.613 -5.628 6.472 1.00 1.00 H new ATOM 0 HA PHE A 82 3.783 -7.551 7.750 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.547 -6.446 4.898 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.534 -7.697 5.591 1.00 1.00 H new ATOM 0 HD1 PHE A 82 3.359 -4.109 5.762 1.00 1.00 H new ATOM 0 HD2 PHE A 82 0.661 -7.139 6.944 1.00 1.00 H new ATOM 0 HE1 PHE A 82 1.751 -2.367 6.555 1.00 1.00 H new ATOM 0 HE2 PHE A 82 -0.948 -5.398 7.735 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.384 -3.031 7.530 1.00 1.00 H new ATOM 814 N GLY A 83 5.458 -9.162 6.994 1.00 1.00 N ATOM 815 CA GLY A 83 6.355 -10.208 6.533 1.00 1.00 C ATOM 816 C GLY A 83 5.570 -11.424 6.036 1.00 1.00 C ATOM 817 O GLY A 83 4.351 -11.359 5.882 1.00 1.00 O ATOM 0 H GLY A 83 5.110 -9.286 7.945 1.00 1.00 H new ATOM 0 HA2 GLY A 83 6.985 -9.824 5.730 1.00 1.00 H new ATOM 0 HA3 GLY A 83 7.019 -10.506 7.344 1.00 1.00 H new ATOM 821 N GLU A 84 6.300 -12.504 5.800 1.00 1.00 N ATOM 822 CA GLU A 84 5.687 -13.732 5.324 1.00 1.00 C ATOM 823 C GLU A 84 5.018 -14.476 6.482 1.00 1.00 C ATOM 824 O GLU A 84 4.503 -15.578 6.301 1.00 1.00 O ATOM 825 CB GLU A 84 6.715 -14.622 4.622 1.00 1.00 C ATOM 826 CG GLU A 84 6.027 -15.735 3.829 1.00 1.00 C ATOM 827 CD GLU A 84 6.631 -17.100 4.165 1.00 1.00 C ATOM 828 OE1 GLU A 84 6.984 -17.354 5.326 1.00 1.00 O ATOM 829 OE2 GLU A 84 6.727 -17.913 3.168 1.00 1.00 O ATOM 0 H GLU A 84 7.310 -12.554 5.930 1.00 1.00 H new ATOM 0 HA GLU A 84 4.921 -13.472 4.594 1.00 1.00 H new ATOM 0 HB2 GLU A 84 7.327 -14.018 3.952 1.00 1.00 H new ATOM 0 HB3 GLU A 84 7.387 -15.059 5.360 1.00 1.00 H new ATOM 0 HG2 GLU A 84 4.960 -15.740 4.053 1.00 1.00 H new ATOM 0 HG3 GLU A 84 6.128 -15.541 2.761 1.00 1.00 H new ATOM 837 N ALA A 85 5.049 -13.842 7.645 1.00 1.00 N ATOM 838 CA ALA A 85 4.452 -14.430 8.833 1.00 1.00 C ATOM 839 C ALA A 85 2.936 -14.523 8.644 1.00 1.00 C ATOM 840 O ALA A 85 2.324 -15.530 8.994 1.00 1.00 O ATOM 841 CB ALA A 85 4.837 -13.603 10.061 1.00 1.00 C ATOM 0 H ALA A 85 5.478 -12.928 7.790 1.00 1.00 H new ATOM 0 HA ALA A 85 4.827 -15.441 8.991 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.389 -14.044 10.952 1.00 1.00 H new ATOM 0 HB2 ALA A 85 5.922 -13.593 10.167 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.475 -12.582 9.940 1.00 1.00 H new ATOM 847 N MET A 86 2.375 -13.457 8.092 1.00 1.00 N ATOM 848 CA MET A 86 0.942 -13.405 7.852 1.00 1.00 C ATOM 849 C MET A 86 0.639 -13.349 6.354 1.00 1.00 C ATOM 850 O MET A 86 -0.114 -14.174 5.838 1.00 1.00 O ATOM 851 CB MET A 86 0.354 -12.172 8.540 1.00 1.00 C ATOM 852 CG MET A 86 -1.162 -12.302 8.697 1.00 1.00 C ATOM 853 SD MET A 86 -1.771 -11.045 9.808 1.00 1.00 S ATOM 854 CE MET A 86 -0.902 -11.501 11.299 1.00 1.00 C ATOM 0 H MET A 86 2.886 -12.623 7.804 1.00 1.00 H new ATOM 0 HA MET A 86 0.490 -14.309 8.260 1.00 1.00 H new ATOM 0 HB2 MET A 86 0.815 -12.043 9.519 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.588 -11.280 7.958 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.646 -12.205 7.725 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.413 -13.291 9.081 1.00 1.00 H new ATOM 0 HE1 MET A 86 -1.515 -11.257 12.167 1.00 1.00 H new ATOM 0 HE2 MET A 86 -0.698 -12.572 11.288 1.00 1.00 H new ATOM 0 HE3 MET A 86 0.039 -10.953 11.354 1.00 1.00 H new ATOM 864 N ILE A 87 1.239 -12.367 5.697 1.00 1.00 N ATOM 865 CA ILE A 87 1.042 -12.193 4.268 1.00 1.00 C ATOM 866 C ILE A 87 2.379 -12.379 3.547 1.00 1.00 C ATOM 867 O ILE A 87 3.330 -11.623 3.731 1.00 1.00 O ATOM 868 CB ILE A 87 0.371 -10.848 3.981 1.00 1.00 C ATOM 869 CG1 ILE A 87 -0.885 -10.669 4.837 1.00 1.00 C ATOM 870 CG2 ILE A 87 0.074 -10.692 2.488 1.00 1.00 C ATOM 871 CD1 ILE A 87 -1.860 -9.689 4.180 1.00 1.00 C ATOM 0 H ILE A 87 1.862 -11.684 6.128 1.00 1.00 H new ATOM 0 HA ILE A 87 0.362 -12.952 3.881 1.00 1.00 H new ATOM 0 HB ILE A 87 1.065 -10.054 4.256 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.373 -11.633 4.979 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.607 -10.304 5.826 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.403 -9.728 2.311 1.00 1.00 H new ATOM 0 HG22 ILE A 87 1.005 -10.745 1.924 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.593 -11.491 2.164 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.744 -9.579 4.808 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.377 -8.719 4.061 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.155 -10.070 3.202 1.00 1.00 H new ATOM 883 N PRO A 88 2.428 -13.418 2.710 1.00 1.00 N ATOM 884 CA PRO A 88 3.589 -13.779 1.925 1.00 1.00 C ATOM 885 C PRO A 88 3.756 -12.792 0.778 1.00 1.00 C ATOM 886 O PRO A 88 2.774 -12.260 0.267 1.00 1.00 O ATOM 887 CB PRO A 88 3.288 -15.181 1.402 1.00 1.00 C ATOM 888 CG PRO A 88 1.818 -15.255 1.362 1.00 1.00 C ATOM 889 CD PRO A 88 1.328 -14.327 2.470 1.00 1.00 C ATOM 0 HA PRO A 88 4.514 -13.757 2.501 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.720 -15.336 0.413 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.706 -15.946 2.056 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.436 -14.941 0.391 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.473 -16.276 1.525 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.430 -13.789 2.166 1.00 1.00 H new ATOM 0 HD3 PRO A 88 1.075 -14.887 3.370 1.00 1.00 H new ATOM 897 N PRO A 89 5.006 -12.549 0.376 1.00 1.00 N ATOM 898 CA PRO A 89 5.355 -11.643 -0.698 1.00 1.00 C ATOM 899 C PRO A 89 4.545 -11.987 -1.939 1.00 1.00 C ATOM 900 O PRO A 89 4.099 -11.071 -2.629 1.00 1.00 O ATOM 901 CB PRO A 89 6.846 -11.874 -0.935 1.00 1.00 C ATOM 902 CG PRO A 89 7.217 -13.164 -0.169 1.00 1.00 C ATOM 903 CD PRO A 89 6.184 -13.158 0.955 1.00 1.00 C ATOM 0 HA PRO A 89 5.144 -10.600 -0.460 1.00 1.00 H new ATOM 0 HB2 PRO A 89 7.058 -11.980 -1.999 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.432 -11.028 -0.576 1.00 1.00 H new ATOM 0 HG2 PRO A 89 7.135 -14.052 -0.796 1.00 1.00 H new ATOM 0 HG3 PRO A 89 8.238 -13.136 0.212 1.00 1.00 H new ATOM 0 HD2 PRO A 89 5.975 -14.169 1.304 1.00 1.00 H new ATOM 0 HD3 PRO A 89 6.540 -12.591 1.815 1.00 1.00 H new ATOM 911 N ALA A 90 4.373 -13.274 -2.199 1.00 1.00 N ATOM 912 CA ALA A 90 3.616 -13.709 -3.361 1.00 1.00 C ATOM 913 C ALA A 90 2.167 -13.237 -3.226 1.00 1.00 C ATOM 914 O ALA A 90 1.489 -13.011 -4.227 1.00 1.00 O ATOM 915 CB ALA A 90 3.724 -15.229 -3.501 1.00 1.00 C ATOM 0 H ALA A 90 4.745 -14.031 -1.625 1.00 1.00 H new ATOM 0 HA ALA A 90 4.023 -13.268 -4.271 1.00 1.00 H new ATOM 0 HB1 ALA A 90 3.156 -15.555 -4.372 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.770 -15.510 -3.623 1.00 1.00 H new ATOM 0 HB3 ALA A 90 3.323 -15.706 -2.607 1.00 1.00 H new ATOM 921 N ASP A 91 1.735 -13.103 -1.981 1.00 1.00 N ATOM 922 CA ASP A 91 0.379 -12.662 -1.702 1.00 1.00 C ATOM 923 C ASP A 91 0.335 -11.132 -1.699 1.00 1.00 C ATOM 924 O ASP A 91 -0.742 -10.539 -1.721 1.00 1.00 O ATOM 925 CB ASP A 91 -0.089 -13.152 -0.331 1.00 1.00 C ATOM 926 CG ASP A 91 -0.553 -14.608 -0.288 1.00 1.00 C ATOM 927 OD1 ASP A 91 -1.469 -14.965 0.468 1.00 1.00 O ATOM 928 OD2 ASP A 91 0.075 -15.405 -1.085 1.00 1.00 O ATOM 0 H ASP A 91 2.300 -13.292 -1.153 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.274 -13.072 -2.473 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.727 -13.025 0.381 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -0.908 -12.516 0.005 1.00 1.00 H new ATOM 934 N ALA A 92 1.519 -10.538 -1.671 1.00 1.00 N ATOM 935 CA ALA A 92 1.629 -9.090 -1.664 1.00 1.00 C ATOM 936 C ALA A 92 1.516 -8.567 -3.097 1.00 1.00 C ATOM 937 O ALA A 92 0.881 -7.542 -3.340 1.00 1.00 O ATOM 938 CB ALA A 92 2.944 -8.680 -0.996 1.00 1.00 C ATOM 0 H ALA A 92 2.410 -11.034 -1.653 1.00 1.00 H new ATOM 0 HA ALA A 92 0.818 -8.647 -1.086 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.026 -7.593 -0.991 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.962 -9.050 0.029 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.781 -9.105 -1.550 1.00 1.00 H new ATOM 944 N LEU A 93 2.143 -9.295 -4.010 1.00 1.00 N ATOM 945 CA LEU A 93 2.121 -8.918 -5.412 1.00 1.00 C ATOM 946 C LEU A 93 0.671 -8.859 -5.898 1.00 1.00 C ATOM 947 O LEU A 93 0.383 -8.261 -6.933 1.00 1.00 O ATOM 948 CB LEU A 93 3.006 -9.857 -6.234 1.00 1.00 C ATOM 949 CG LEU A 93 4.513 -9.736 -5.997 1.00 1.00 C ATOM 950 CD1 LEU A 93 5.252 -10.965 -6.530 1.00 1.00 C ATOM 951 CD2 LEU A 93 5.059 -8.437 -6.591 1.00 1.00 C ATOM 0 H LEU A 93 2.669 -10.144 -3.805 1.00 1.00 H new ATOM 0 HA LEU A 93 2.543 -7.922 -5.544 1.00 1.00 H new ATOM 0 HB2 LEU A 93 2.706 -10.884 -6.024 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.809 -9.678 -7.291 1.00 1.00 H new ATOM 0 HG LEU A 93 4.687 -9.696 -4.922 1.00 1.00 H new ATOM 0 HD11 LEU A 93 6.321 -10.854 -6.349 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.889 -11.857 -6.020 1.00 1.00 H new ATOM 0 HD13 LEU A 93 5.073 -11.061 -7.601 1.00 1.00 H new ATOM 0 HD21 LEU A 93 6.132 -8.376 -6.409 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.872 -8.421 -7.665 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.563 -7.586 -6.124 1.00 1.00 H new ATOM 963 N LYS A 94 -0.204 -9.488 -5.126 1.00 1.00 N ATOM 964 CA LYS A 94 -1.616 -9.514 -5.464 1.00 1.00 C ATOM 965 C LYS A 94 -2.291 -8.254 -4.918 1.00 1.00 C ATOM 966 O LYS A 94 -3.318 -7.820 -5.438 1.00 1.00 O ATOM 967 CB LYS A 94 -2.259 -10.815 -4.979 1.00 1.00 C ATOM 968 CG LYS A 94 -3.776 -10.783 -5.174 1.00 1.00 C ATOM 969 CD LYS A 94 -4.504 -10.916 -3.834 1.00 1.00 C ATOM 970 CE LYS A 94 -5.200 -12.273 -3.721 1.00 1.00 C ATOM 971 NZ LYS A 94 -6.632 -12.153 -4.075 1.00 1.00 N ATOM 0 H LYS A 94 0.038 -9.983 -4.268 1.00 1.00 H new ATOM 0 HA LYS A 94 -1.748 -9.503 -6.546 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -1.836 -11.659 -5.524 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -2.027 -10.968 -3.925 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -4.064 -9.850 -5.658 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -4.078 -11.593 -5.838 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -3.793 -10.799 -3.016 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -5.239 -10.117 -3.734 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -4.715 -12.993 -4.381 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -5.101 -12.655 -2.705 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -6.982 -13.069 -4.421 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -7.175 -11.870 -3.234 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -6.747 -11.436 -4.819 1.00 1.00 H new ATOM 984 N ILE A 95 -1.686 -7.703 -3.875 1.00 1.00 N ATOM 985 CA ILE A 95 -2.216 -6.501 -3.253 1.00 1.00 C ATOM 986 C ILE A 95 -1.937 -5.298 -4.156 1.00 1.00 C ATOM 987 O ILE A 95 -2.775 -4.408 -4.287 1.00 1.00 O ATOM 988 CB ILE A 95 -1.665 -6.345 -1.834 1.00 1.00 C ATOM 989 CG1 ILE A 95 -1.796 -7.652 -1.048 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.331 -5.173 -1.113 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.215 -7.821 -0.500 1.00 1.00 C ATOM 0 H ILE A 95 -0.835 -8.066 -3.446 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.298 -6.574 -3.145 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.601 -6.117 -1.904 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.548 -8.495 -1.693 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.081 -7.659 -0.225 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -1.921 -5.085 -0.107 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -2.142 -4.252 -1.664 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.406 -5.346 -1.053 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.282 -8.757 0.054 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.450 -6.989 0.163 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -3.925 -7.838 -1.327 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.756 -5.311 -4.757 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.356 -4.233 -5.644 1.00 1.00 C ATOM 1005 C GLY A 96 -1.422 -3.977 -6.712 1.00 1.00 C ATOM 1006 O GLY A 96 -1.502 -2.881 -7.265 1.00 1.00 O ATOM 0 H GLY A 96 -0.063 -6.052 -4.647 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.190 -3.324 -5.066 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.591 -4.484 -6.123 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.215 -5.006 -6.969 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.273 -4.907 -7.960 1.00 1.00 C ATOM 1012 C GLU A 97 -4.371 -3.959 -7.471 1.00 1.00 C ATOM 1013 O GLU A 97 -4.782 -3.027 -8.158 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.847 -6.286 -8.290 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.733 -7.329 -8.410 1.00 1.00 C ATOM 1016 CD GLU A 97 -3.227 -8.576 -9.145 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -3.596 -8.494 -10.326 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -3.217 -9.660 -8.447 1.00 1.00 O ATOM 0 H GLU A 97 -2.146 -5.913 -6.508 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.848 -4.498 -8.877 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.550 -6.587 -7.513 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.407 -6.237 -9.224 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -1.884 -6.900 -8.943 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.379 -7.604 -7.417 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.842 -4.223 -6.251 1.00 1.00 N ATOM 1027 CA TYR A 98 -5.885 -3.420 -5.645 1.00 1.00 C ATOM 1028 C TYR A 98 -5.532 -1.944 -5.761 1.00 1.00 C ATOM 1029 O TYR A 98 -6.442 -1.117 -5.805 1.00 1.00 O ATOM 1030 CB TYR A 98 -6.050 -3.823 -4.182 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.205 -3.135 -3.494 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -8.521 -3.450 -3.852 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -6.959 -2.182 -2.499 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -9.592 -2.813 -3.214 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -8.030 -1.544 -1.861 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.347 -1.860 -2.218 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.390 -1.239 -1.597 1.00 1.00 O ATOM 0 H TYR A 98 -4.511 -4.992 -5.668 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.828 -3.590 -6.164 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.194 -4.902 -4.125 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.129 -3.595 -3.645 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -8.710 -4.185 -4.621 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -5.944 -1.939 -2.223 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -10.607 -3.057 -3.490 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -7.840 -0.808 -1.094 1.00 1.00 H new ATOM 0 HH TYR A 98 -10.045 -0.608 -0.931 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.243 -1.644 -5.808 1.00 1.00 N ATOM 1048 CA VAL A 99 -3.799 -0.264 -5.920 1.00 1.00 C ATOM 1049 C VAL A 99 -3.540 0.066 -7.391 1.00 1.00 C ATOM 1050 O VAL A 99 -2.682 0.890 -7.703 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.575 -0.036 -5.031 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -1.981 1.355 -5.263 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -2.922 -0.244 -3.555 1.00 1.00 C ATOM 0 H VAL A 99 -3.491 -2.332 -5.771 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.573 0.417 -5.566 1.00 1.00 H new ATOM 0 HB VAL A 99 -1.820 -0.773 -5.305 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -1.112 1.492 -4.619 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.679 1.452 -6.306 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -2.728 2.113 -5.030 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -2.034 -0.076 -2.945 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -3.702 0.459 -3.262 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.277 -1.263 -3.405 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.297 -0.593 -8.255 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.160 -0.379 -9.686 1.00 1.00 C ATOM 1065 C VAL A 100 -5.522 -0.568 -10.358 1.00 1.00 C ATOM 1066 O VAL A 100 -5.596 -0.802 -11.563 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.081 -1.304 -10.252 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -3.002 -1.186 -11.775 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -1.722 -1.018 -9.608 1.00 1.00 C ATOM 0 H VAL A 100 -5.008 -1.276 -7.992 1.00 1.00 H new ATOM 0 HA VAL A 100 -3.835 0.641 -9.891 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.358 -2.330 -10.010 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.227 -1.854 -12.152 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -3.962 -1.461 -12.212 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -2.760 -0.159 -12.048 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -0.972 -1.689 -10.027 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.436 0.015 -9.806 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -1.789 -1.176 -8.532 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.565 -0.461 -9.549 1.00 1.00 N ATOM 1080 CA ALA A 101 -7.920 -0.617 -10.050 1.00 1.00 C ATOM 1081 C ALA A 101 -8.683 0.697 -9.864 1.00 1.00 C ATOM 1082 O ALA A 101 -9.812 0.835 -10.333 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.597 -1.789 -9.337 1.00 1.00 C ATOM 0 H ALA A 101 -6.499 -0.268 -8.550 1.00 1.00 H new ATOM 0 HA ALA A 101 -7.910 -0.845 -11.116 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.613 -1.906 -9.713 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -8.034 -2.703 -9.524 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.627 -1.594 -8.265 1.00 1.00 H new ATOM 1089 N SER A 102 -8.035 1.628 -9.179 1.00 1.00 N ATOM 1090 CA SER A 102 -8.638 2.926 -8.926 1.00 1.00 C ATOM 1091 C SER A 102 -7.662 4.040 -9.309 1.00 1.00 C ATOM 1092 O SER A 102 -8.054 5.026 -9.932 1.00 1.00 O ATOM 1093 CB SER A 102 -9.052 3.064 -7.459 1.00 1.00 C ATOM 1094 OG SER A 102 -7.928 3.041 -6.583 1.00 1.00 O ATOM 0 H SER A 102 -7.099 1.509 -8.792 1.00 1.00 H new ATOM 0 HA SER A 102 -9.535 3.012 -9.539 1.00 1.00 H new ATOM 0 HB2 SER A 102 -9.599 3.997 -7.323 1.00 1.00 H new ATOM 0 HB3 SER A 102 -9.733 2.254 -7.197 1.00 1.00 H new ATOM 0 HG SER A 102 -7.624 3.958 -6.417 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.410 3.846 -8.921 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.376 4.822 -9.216 1.00 1.00 C ATOM 1102 C PHE A 103 -4.024 4.140 -9.436 1.00 1.00 C ATOM 1103 O PHE A 103 -3.168 4.088 -8.555 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.275 5.748 -8.002 1.00 1.00 C ATOM 1105 CG PHE A 103 -5.724 5.104 -6.689 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.226 3.893 -6.320 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -6.622 5.741 -5.891 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.643 3.295 -5.102 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.040 5.143 -4.673 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.542 3.933 -4.304 1.00 1.00 C ATOM 0 H PHE A 103 -6.089 3.027 -8.405 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.629 5.368 -10.125 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.242 6.081 -7.897 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -5.880 6.636 -8.184 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.513 3.386 -6.954 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.018 6.702 -6.184 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.247 2.334 -4.809 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -7.753 5.649 -4.040 1.00 1.00 H new ATOM 0 HZ PHE A 103 -6.860 3.478 -3.378 1.00 1.00 H new ATOM 1120 N PRO A 104 -3.850 3.609 -10.648 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.651 2.920 -11.073 1.00 1.00 C ATOM 1122 C PRO A 104 -1.443 3.822 -10.866 1.00 1.00 C ATOM 1123 O PRO A 104 -1.516 5.025 -11.105 1.00 1.00 O ATOM 1124 CB PRO A 104 -2.870 2.630 -12.556 1.00 1.00 C ATOM 1125 CG PRO A 104 -4.384 2.590 -12.708 1.00 1.00 C ATOM 1126 CD PRO A 104 -4.835 3.652 -11.707 1.00 1.00 C ATOM 0 HA PRO A 104 -2.465 2.005 -10.510 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.427 3.404 -13.183 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -2.415 1.684 -12.848 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -4.698 2.828 -13.724 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -4.792 1.607 -12.471 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -4.875 4.638 -12.169 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -5.834 3.437 -11.326 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.416 2.625 4.230 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.806 5.389 2.711 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.248 1.101 1.006 1.00 1.00 C HETATM 1138 CHC HEC A 201 -0.978 -0.251 5.522 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.220 4.212 7.163 1.00 1.00 C HETATM 1140 NA HEC A 201 0.941 3.123 2.257 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.465 4.341 1.861 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.614 4.380 0.425 1.00 1.00 C HETATM 1143 C3A HEC A 201 1.182 3.193 -0.050 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.763 2.407 1.086 1.00 1.00 C HETATM 1145 CMA HEC A 201 1.130 2.733 -1.479 1.00 1.00 C HETATM 1146 CAA HEC A 201 2.152 5.546 -0.352 1.00 1.00 C HETATM 1147 CBA HEC A 201 1.163 6.698 -0.507 1.00 1.00 C HETATM 1148 CGA HEC A 201 0.647 7.164 0.847 1.00 1.00 C HETATM 1149 O1A HEC A 201 -0.426 6.664 1.247 1.00 1.00 O HETATM 1150 O2A HEC A 201 1.336 8.010 1.457 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.233 0.803 3.408 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.213 0.367 2.094 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.744 -0.973 2.003 1.00 1.00 C HETATM 1154 C3B HEC A 201 -1.084 -1.351 3.253 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.768 -0.249 4.131 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.873 -1.761 0.732 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.680 -2.656 3.694 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.915 -3.884 3.208 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.178 2.060 6.002 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.780 0.877 6.392 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.248 0.979 7.755 1.00 1.00 C HETATM 1162 C3C HEC A 201 -0.933 2.216 8.191 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.266 2.893 7.103 1.00 1.00 C HETATM 1164 CMC HEC A 201 -1.950 -0.115 8.506 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.202 2.817 9.540 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.767 1.939 10.709 1.00 1.00 C HETATM 1167 ND HEC A 201 0.848 4.438 4.788 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.811 4.883 6.098 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.480 6.158 6.212 1.00 1.00 C HETATM 1170 C3D HEC A 201 1.920 6.487 4.980 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.530 5.419 4.090 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.631 6.937 7.486 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.676 7.717 4.566 1.00 1.00 C HETATM 1174 CBD HEC A 201 4.187 7.605 4.742 1.00 1.00 C HETATM 1175 CGD HEC A 201 4.541 7.090 6.130 1.00 1.00 C HETATM 1176 O1D HEC A 201 4.427 5.861 6.325 1.00 1.00 O HETATM 1177 O2D HEC A 201 4.919 7.936 6.969 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.645 7.177 7.885 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.182 6.341 8.214 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 2.176 7.860 7.286 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.869 -0.383 7.984 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.301 -0.988 8.568 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.191 0.230 9.511 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.521 -1.227 0.037 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.112 -1.891 0.283 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.303 -2.738 0.952 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.489 3.402 -2.054 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 2.135 2.742 -1.901 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.728 1.721 -1.521 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.595 6.934 3.987 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.648 8.580 4.584 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.300 0.989 10.669 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.306 1.756 10.647 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -0.995 2.444 11.648 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.895 -3.892 2.118 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.105 -3.852 3.590 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.409 -4.786 3.568 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 1.646 7.529 -1.021 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 0.326 6.381 -1.129 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.457 7.930 3.520 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.315 8.566 5.147 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 3.050 5.916 0.143 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 2.452 5.202 -1.342 1.00 1.00 H new HETATM 0 HHD HEC A 201 0.127 4.745 8.109 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.318 -1.182 5.977 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.207 0.631 0.023 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.323 6.246 2.278 1.00 1.00 H new HETATM 0 H2D HEC A 201 5.759 7.640 7.377 1.00 1.00 H new HETATM 0 H2A HEC A 201 0.820 8.372 2.207 1.00 1.00 H new