USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=12 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 : no HD1:sc= -4.67! C(o=-6.6!,f=-8!) USER MOD Set 1.2: A 201 HEC O2D : rot -96:sc= -1.89! USER MOD Single : A 33 THR OG1 : rot 15:sc= 0.802 USER MOD Single : A 34 HIS : no HD1:sc= -0.318 X(o=-0.32,f=0.081) USER MOD Single : A 41 GLN : amide:sc= -0.0125 X(o=-0.012,f=0) USER MOD Single : A 44 ASN : amide:sc= -6.01! C(o=-6!,f=-12!) USER MOD Single : A 45 THR OG1 : rot 146:sc= -1.26 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.6 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.329 F(o=-3.7!,f=-0.33) USER MOD Single : A 64 THR OG1 : rot 164:sc= -3.43! USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0992 X(o=-0.099,f=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -133:sc= -0.0564 (180deg=-0.463) USER MOD Single : A 94 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.295) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 59:sc= 0.107 USER MOD Single : A 201 HEC O2A : rot 170:sc= -1.56 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -11.352 -7.206 -6.457 1.00 1.00 N ATOM 2 CA ALA A 25 -11.955 -8.436 -5.970 1.00 1.00 C ATOM 3 C ALA A 25 -10.853 -9.390 -5.507 1.00 1.00 C ATOM 4 O ALA A 25 -10.092 -9.908 -6.323 1.00 1.00 O ATOM 5 CB ALA A 25 -12.831 -9.044 -7.066 1.00 1.00 C ATOM 0 HA ALA A 25 -12.598 -8.235 -5.113 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -13.283 -9.966 -6.701 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -13.616 -8.338 -7.338 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -12.219 -9.262 -7.942 1.00 1.00 H new ATOM 11 N GLY A 26 -10.801 -9.594 -4.199 1.00 1.00 N ATOM 12 CA GLY A 26 -9.804 -10.478 -3.618 1.00 1.00 C ATOM 13 C GLY A 26 -8.758 -9.683 -2.833 1.00 1.00 C ATOM 14 O GLY A 26 -8.748 -9.710 -1.604 1.00 1.00 O ATOM 0 H GLY A 26 -11.433 -9.162 -3.525 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -10.290 -11.197 -2.958 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -9.315 -11.049 -4.407 1.00 1.00 H new ATOM 18 N GLY A 27 -7.904 -8.995 -3.577 1.00 1.00 N ATOM 19 CA GLY A 27 -6.857 -8.195 -2.966 1.00 1.00 C ATOM 20 C GLY A 27 -7.450 -7.122 -2.050 1.00 1.00 C ATOM 21 O GLY A 27 -6.813 -6.705 -1.084 1.00 1.00 O ATOM 0 H GLY A 27 -7.916 -8.975 -4.597 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -6.190 -8.839 -2.393 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -6.255 -7.723 -3.743 1.00 1.00 H new ATOM 25 N GLY A 28 -8.662 -6.706 -2.387 1.00 1.00 N ATOM 26 CA GLY A 28 -9.348 -5.690 -1.607 1.00 1.00 C ATOM 27 C GLY A 28 -9.707 -6.217 -0.216 1.00 1.00 C ATOM 28 O GLY A 28 -9.596 -5.494 0.773 1.00 1.00 O ATOM 0 H GLY A 28 -9.186 -7.054 -3.190 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.714 -4.808 -1.513 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -10.254 -5.377 -2.126 1.00 1.00 H new ATOM 32 N GLU A 29 -10.130 -7.472 -0.184 1.00 1.00 N ATOM 33 CA GLU A 29 -10.506 -8.103 1.069 1.00 1.00 C ATOM 34 C GLU A 29 -9.324 -8.102 2.040 1.00 1.00 C ATOM 35 O GLU A 29 -9.514 -8.097 3.255 1.00 1.00 O ATOM 36 CB GLU A 29 -11.022 -9.525 0.834 1.00 1.00 C ATOM 37 CG GLU A 29 -11.465 -10.172 2.148 1.00 1.00 C ATOM 38 CD GLU A 29 -12.767 -9.548 2.655 1.00 1.00 C ATOM 39 OE1 GLU A 29 -13.754 -9.481 1.907 1.00 1.00 O ATOM 40 OE2 GLU A 29 -12.731 -9.125 3.873 1.00 1.00 O ATOM 0 H GLU A 29 -10.221 -8.069 -1.006 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.317 -7.527 1.514 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.859 -9.501 0.136 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -10.240 -10.128 0.373 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -11.604 -11.243 2.001 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -10.684 -10.052 2.898 1.00 1.00 H new ATOM 48 N LEU A 30 -8.129 -8.108 1.467 1.00 1.00 N ATOM 49 CA LEU A 30 -6.916 -8.108 2.267 1.00 1.00 C ATOM 50 C LEU A 30 -6.559 -6.669 2.645 1.00 1.00 C ATOM 51 O LEU A 30 -6.233 -6.389 3.797 1.00 1.00 O ATOM 52 CB LEU A 30 -5.793 -8.848 1.537 1.00 1.00 C ATOM 53 CG LEU A 30 -6.143 -10.238 1.002 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.940 -10.877 0.305 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.702 -11.129 2.113 1.00 1.00 C ATOM 0 H LEU A 30 -7.975 -8.113 0.459 1.00 1.00 H new ATOM 0 HA LEU A 30 -7.074 -8.653 3.198 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.462 -8.232 0.701 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.947 -8.945 2.217 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.927 -10.128 0.253 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -5.216 -11.864 -0.066 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.628 -10.250 -0.530 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -4.117 -10.973 1.014 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.942 -12.111 1.706 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -5.958 -11.236 2.903 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.604 -10.676 2.524 1.00 1.00 H new ATOM 67 N PHE A 31 -6.633 -5.795 1.652 1.00 1.00 N ATOM 68 CA PHE A 31 -6.322 -4.391 1.866 1.00 1.00 C ATOM 69 C PHE A 31 -7.369 -3.728 2.763 1.00 1.00 C ATOM 70 O PHE A 31 -7.062 -2.784 3.488 1.00 1.00 O ATOM 71 CB PHE A 31 -6.341 -3.715 0.494 1.00 1.00 C ATOM 72 CG PHE A 31 -6.278 -2.187 0.552 1.00 1.00 C ATOM 73 CD1 PHE A 31 -7.342 -1.480 1.018 1.00 1.00 C ATOM 74 CD2 PHE A 31 -5.158 -1.537 0.138 1.00 1.00 C ATOM 75 CE1 PHE A 31 -7.284 -0.062 1.072 1.00 1.00 C ATOM 76 CE2 PHE A 31 -5.099 -0.119 0.192 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.163 0.588 0.658 1.00 1.00 C ATOM 0 H PHE A 31 -6.904 -6.031 0.697 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.352 -4.295 2.354 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.498 -4.081 -0.092 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.248 -4.011 -0.033 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -8.231 -1.997 1.347 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -4.313 -2.099 -0.232 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -8.129 0.500 1.441 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -4.209 0.398 -0.137 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.118 1.666 0.699 1.00 1.00 H new ATOM 87 N ALA A 32 -8.585 -4.250 2.684 1.00 1.00 N ATOM 88 CA ALA A 32 -9.679 -3.720 3.480 1.00 1.00 C ATOM 89 C ALA A 32 -9.726 -4.449 4.824 1.00 1.00 C ATOM 90 O ALA A 32 -10.793 -4.865 5.272 1.00 1.00 O ATOM 91 CB ALA A 32 -10.989 -3.852 2.699 1.00 1.00 C ATOM 0 H ALA A 32 -8.836 -5.034 2.081 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.526 -2.660 3.685 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.810 -3.455 3.296 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -10.914 -3.293 1.766 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.177 -4.903 2.478 1.00 1.00 H new ATOM 97 N THR A 33 -8.555 -4.581 5.430 1.00 1.00 N ATOM 98 CA THR A 33 -8.448 -5.253 6.714 1.00 1.00 C ATOM 99 C THR A 33 -7.055 -5.046 7.310 1.00 1.00 C ATOM 100 O THR A 33 -6.916 -4.835 8.514 1.00 1.00 O ATOM 101 CB THR A 33 -8.809 -6.725 6.509 1.00 1.00 C ATOM 102 OG1 THR A 33 -10.229 -6.754 6.624 1.00 1.00 O ATOM 103 CG2 THR A 33 -8.324 -7.612 7.658 1.00 1.00 C ATOM 0 H THR A 33 -7.672 -4.234 5.055 1.00 1.00 H new ATOM 0 HA THR A 33 -9.143 -4.831 7.440 1.00 1.00 H new ATOM 0 HB THR A 33 -8.378 -7.077 5.572 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.582 -5.842 6.553 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.606 -8.647 7.463 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.239 -7.541 7.740 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.781 -7.281 8.591 1.00 1.00 H new ATOM 111 N HIS A 34 -6.058 -5.113 6.440 1.00 1.00 N ATOM 112 CA HIS A 34 -4.680 -4.936 6.865 1.00 1.00 C ATOM 113 C HIS A 34 -4.198 -3.537 6.475 1.00 1.00 C ATOM 114 O HIS A 34 -3.101 -3.127 6.851 1.00 1.00 O ATOM 115 CB HIS A 34 -3.791 -6.047 6.304 1.00 1.00 C ATOM 116 CG HIS A 34 -4.293 -7.442 6.594 1.00 1.00 C ATOM 117 ND1 HIS A 34 -4.084 -8.077 7.805 1.00 1.00 N ATOM 118 CD2 HIS A 34 -4.998 -8.314 5.818 1.00 1.00 C ATOM 119 CE1 HIS A 34 -4.641 -9.278 7.749 1.00 1.00 C ATOM 120 NE2 HIS A 34 -5.207 -9.423 6.516 1.00 1.00 N ATOM 0 H HIS A 34 -6.177 -5.288 5.442 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.618 -5.014 7.950 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.706 -5.920 5.225 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.788 -5.940 6.718 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -5.330 -8.133 4.806 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -4.646 -10.013 8.540 1.00 1.00 H new ATOM 0 HE2 HIS A 34 -5.708 -10.248 6.185 1.00 1.00 H new ATOM 128 N CYS A 35 -5.042 -2.843 5.726 1.00 1.00 N ATOM 129 CA CYS A 35 -4.717 -1.499 5.281 1.00 1.00 C ATOM 130 C CYS A 35 -5.887 -0.579 5.634 1.00 1.00 C ATOM 131 O CYS A 35 -5.686 0.510 6.170 1.00 1.00 O ATOM 132 CB CYS A 35 -4.392 -1.461 3.786 1.00 1.00 C ATOM 133 SG CYS A 35 -3.416 -2.884 3.177 1.00 1.00 S ATOM 0 H CYS A 35 -5.951 -3.187 5.416 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.818 -1.153 5.790 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.326 -1.413 3.226 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -3.844 -0.544 3.571 1.00 1.00 H new ATOM 138 N ALA A 36 -7.085 -1.051 5.320 1.00 1.00 N ATOM 139 CA ALA A 36 -8.287 -0.284 5.597 1.00 1.00 C ATOM 140 C ALA A 36 -8.132 0.432 6.940 1.00 1.00 C ATOM 141 O ALA A 36 -8.632 1.542 7.117 1.00 1.00 O ATOM 142 CB ALA A 36 -9.503 -1.213 5.569 1.00 1.00 C ATOM 0 H ALA A 36 -7.248 -1.955 4.877 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.440 0.478 4.833 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.405 -0.638 5.777 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.586 -1.675 4.585 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.385 -1.989 6.325 1.00 1.00 H new ATOM 148 N GLY A 37 -7.438 -0.233 7.852 1.00 1.00 N ATOM 149 CA GLY A 37 -7.210 0.326 9.174 1.00 1.00 C ATOM 150 C GLY A 37 -6.034 1.305 9.160 1.00 1.00 C ATOM 151 O GLY A 37 -5.163 1.246 10.026 1.00 1.00 O ATOM 0 H GLY A 37 -7.026 -1.154 7.702 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.110 0.837 9.517 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -7.011 -0.477 9.883 1.00 1.00 H new ATOM 155 N CYS A 38 -6.048 2.183 8.167 1.00 1.00 N ATOM 156 CA CYS A 38 -4.993 3.173 8.030 1.00 1.00 C ATOM 157 C CYS A 38 -5.136 3.840 6.661 1.00 1.00 C ATOM 158 O CYS A 38 -4.812 5.016 6.502 1.00 1.00 O ATOM 159 CB CYS A 38 -3.607 2.553 8.221 1.00 1.00 C ATOM 160 SG CYS A 38 -2.906 3.072 9.829 1.00 1.00 S ATOM 0 H CYS A 38 -6.773 2.229 7.451 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.093 3.926 8.812 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.677 1.466 8.179 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -2.947 2.861 7.410 1.00 1.00 H new ATOM 165 N HIS A 39 -5.623 3.061 5.706 1.00 1.00 N ATOM 166 CA HIS A 39 -5.813 3.561 4.355 1.00 1.00 C ATOM 167 C HIS A 39 -7.301 3.526 4.000 1.00 1.00 C ATOM 168 O HIS A 39 -7.734 2.848 3.071 1.00 1.00 O ATOM 169 CB HIS A 39 -4.948 2.785 3.361 1.00 1.00 C ATOM 170 CG HIS A 39 -3.477 3.122 3.432 1.00 1.00 C ATOM 171 ND1 HIS A 39 -2.978 4.370 3.104 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.405 2.362 3.799 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.663 4.351 3.268 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.310 3.105 3.698 1.00 1.00 N ATOM 0 H HIS A 39 -5.892 2.086 5.841 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.485 4.599 4.298 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.075 1.717 3.541 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.307 2.983 2.351 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.529 5.169 2.789 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.441 1.331 4.118 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -0.989 5.177 3.092 1.00 1.00 H new ATOM 182 N PRO A 40 -8.083 4.284 4.772 1.00 1.00 N ATOM 183 CA PRO A 40 -9.517 4.402 4.614 1.00 1.00 C ATOM 184 C PRO A 40 -9.828 5.175 3.341 1.00 1.00 C ATOM 185 O PRO A 40 -9.364 6.306 3.205 1.00 1.00 O ATOM 186 CB PRO A 40 -9.985 5.168 5.849 1.00 1.00 C ATOM 187 CG PRO A 40 -8.749 6.062 6.172 1.00 1.00 C ATOM 188 CD PRO A 40 -7.607 5.094 5.872 1.00 1.00 C ATOM 0 HA PRO A 40 -10.016 3.437 4.529 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -10.875 5.763 5.646 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.230 4.499 6.674 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -8.710 6.954 5.546 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -8.743 6.399 7.208 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -6.696 5.629 5.603 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.371 4.480 6.741 1.00 1.00 H new ATOM 196 N GLN A 41 -10.593 4.565 2.447 1.00 1.00 N ATOM 197 CA GLN A 41 -10.948 5.216 1.197 1.00 1.00 C ATOM 198 C GLN A 41 -9.711 5.850 0.559 1.00 1.00 C ATOM 199 O GLN A 41 -9.736 7.018 0.174 1.00 1.00 O ATOM 200 CB GLN A 41 -12.048 6.257 1.414 1.00 1.00 C ATOM 201 CG GLN A 41 -11.581 7.356 2.371 1.00 1.00 C ATOM 202 CD GLN A 41 -12.580 8.514 2.405 1.00 1.00 C ATOM 203 OE1 GLN A 41 -13.752 8.349 2.703 1.00 1.00 O ATOM 204 NE2 GLN A 41 -12.054 9.693 2.083 1.00 1.00 N ATOM 0 H GLN A 41 -10.977 3.627 2.563 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.338 4.461 0.515 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -12.330 6.698 0.458 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -12.938 5.773 1.817 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -11.462 6.944 3.373 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -10.603 7.723 2.059 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -11.065 9.762 1.844 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -12.640 10.528 2.076 1.00 1.00 H new ATOM 213 N GLY A 42 -8.657 5.053 0.466 1.00 1.00 N ATOM 214 CA GLY A 42 -7.412 5.522 -0.119 1.00 1.00 C ATOM 215 C GLY A 42 -6.896 6.762 0.612 1.00 1.00 C ATOM 216 O GLY A 42 -6.157 7.562 0.040 1.00 1.00 O ATOM 0 H GLY A 42 -8.639 4.085 0.786 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.664 4.731 -0.073 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.566 5.754 -1.173 1.00 1.00 H new ATOM 220 N GLY A 43 -7.306 6.885 1.866 1.00 1.00 N ATOM 221 CA GLY A 43 -6.895 8.015 2.681 1.00 1.00 C ATOM 222 C GLY A 43 -5.771 7.618 3.641 1.00 1.00 C ATOM 223 O GLY A 43 -5.062 6.642 3.402 1.00 1.00 O ATOM 0 H GLY A 43 -7.919 6.220 2.338 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -6.559 8.829 2.038 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -7.748 8.388 3.248 1.00 1.00 H new ATOM 227 N ASN A 44 -5.643 8.396 4.705 1.00 1.00 N ATOM 228 CA ASN A 44 -4.617 8.139 5.702 1.00 1.00 C ATOM 229 C ASN A 44 -5.103 8.631 7.066 1.00 1.00 C ATOM 230 O ASN A 44 -5.775 9.657 7.157 1.00 1.00 O ATOM 231 CB ASN A 44 -3.323 8.881 5.364 1.00 1.00 C ATOM 232 CG ASN A 44 -2.731 8.380 4.045 1.00 1.00 C ATOM 233 OD1 ASN A 44 -3.370 8.389 3.006 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.479 7.944 4.145 1.00 1.00 N ATOM 0 H ASN A 44 -6.233 9.205 4.899 1.00 1.00 H new ATOM 0 HA ASN A 44 -4.423 7.066 5.718 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.521 9.951 5.295 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -2.600 8.742 6.167 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -0.995 7.589 3.320 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.002 7.965 5.046 1.00 1.00 H new ATOM 241 N THR A 45 -4.743 7.877 8.095 1.00 1.00 N ATOM 242 CA THR A 45 -5.134 8.224 9.450 1.00 1.00 C ATOM 243 C THR A 45 -3.924 8.725 10.242 1.00 1.00 C ATOM 244 O THR A 45 -4.056 9.119 11.400 1.00 1.00 O ATOM 245 CB THR A 45 -5.806 7.000 10.077 1.00 1.00 C ATOM 246 OG1 THR A 45 -4.969 5.912 9.696 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.154 6.678 9.430 1.00 1.00 C ATOM 0 H THR A 45 -4.185 7.027 8.017 1.00 1.00 H new ATOM 0 HA THR A 45 -5.851 9.045 9.457 1.00 1.00 H new ATOM 0 HB THR A 45 -5.947 7.169 11.144 1.00 1.00 H new ATOM 0 HG1 THR A 45 -4.955 5.244 10.413 1.00 1.00 H new ATOM 0 HG21 THR A 45 -7.588 5.802 9.911 1.00 1.00 H new ATOM 0 HG22 THR A 45 -7.826 7.528 9.548 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.009 6.475 8.369 1.00 1.00 H new ATOM 255 N VAL A 46 -2.773 8.694 9.586 1.00 1.00 N ATOM 256 CA VAL A 46 -1.542 9.140 10.214 1.00 1.00 C ATOM 257 C VAL A 46 -1.039 10.399 9.505 1.00 1.00 C ATOM 258 O VAL A 46 -0.872 11.444 10.132 1.00 1.00 O ATOM 259 CB VAL A 46 -0.515 8.005 10.217 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.822 8.477 10.793 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.043 6.790 10.981 1.00 1.00 C ATOM 0 H VAL A 46 -2.668 8.367 8.626 1.00 1.00 H new ATOM 0 HA VAL A 46 -1.719 9.403 11.257 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.346 7.703 9.183 1.00 1.00 H new ATOM 0 HG11 VAL A 46 1.534 7.652 10.784 1.00 1.00 H new ATOM 0 HG12 VAL A 46 1.209 9.297 10.188 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.676 8.819 11.818 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.294 5.998 10.968 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.254 7.072 12.012 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -1.958 6.432 10.508 1.00 1.00 H new ATOM 271 N HIS A 47 -0.813 10.257 8.207 1.00 1.00 N ATOM 272 CA HIS A 47 -0.333 11.371 7.406 1.00 1.00 C ATOM 273 C HIS A 47 -1.386 11.741 6.359 1.00 1.00 C ATOM 274 O HIS A 47 -1.636 11.015 5.400 1.00 1.00 O ATOM 275 CB HIS A 47 1.029 11.048 6.788 1.00 1.00 C ATOM 276 CG HIS A 47 2.158 10.984 7.788 1.00 1.00 C ATOM 277 ND1 HIS A 47 3.474 10.759 7.421 1.00 1.00 N ATOM 278 CD2 HIS A 47 2.155 11.118 9.146 1.00 1.00 C ATOM 279 CE1 HIS A 47 4.219 10.759 8.517 1.00 1.00 C ATOM 280 NE2 HIS A 47 3.400 10.981 9.584 1.00 1.00 N ATOM 0 H HIS A 47 -0.953 9.389 7.690 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.181 12.243 8.042 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.963 10.092 6.268 1.00 1.00 H new ATOM 0 HB3 HIS A 47 1.264 11.803 6.038 1.00 1.00 H new ATOM 0 HD2 HIS A 47 1.286 11.304 9.760 1.00 1.00 H new ATOM 0 HE1 HIS A 47 5.288 10.609 8.558 1.00 1.00 H new ATOM 0 HE2 HIS A 47 3.696 11.033 10.559 1.00 1.00 H new ATOM 288 N PRO A 48 -2.005 12.905 6.570 1.00 1.00 N ATOM 289 CA PRO A 48 -3.031 13.451 5.708 1.00 1.00 C ATOM 290 C PRO A 48 -2.382 14.179 4.539 1.00 1.00 C ATOM 291 O PRO A 48 -3.064 14.953 3.869 1.00 1.00 O ATOM 292 CB PRO A 48 -3.810 14.422 6.593 1.00 1.00 C ATOM 293 CG PRO A 48 -2.705 14.950 7.516 1.00 1.00 C ATOM 294 CD PRO A 48 -1.735 13.784 7.688 1.00 1.00 C ATOM 0 HA PRO A 48 -3.681 12.685 5.285 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -4.277 15.219 6.015 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.605 13.923 7.148 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -2.207 15.815 7.079 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -3.112 15.268 8.476 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -0.700 14.127 7.680 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -1.895 13.275 8.638 1.00 1.00 H new ATOM 302 N GLU A 49 -1.100 13.926 4.320 1.00 1.00 N ATOM 303 CA GLU A 49 -0.386 14.570 3.231 1.00 1.00 C ATOM 304 C GLU A 49 0.257 13.519 2.323 1.00 1.00 C ATOM 305 O GLU A 49 0.900 13.860 1.332 1.00 1.00 O ATOM 306 CB GLU A 49 0.662 15.548 3.765 1.00 1.00 C ATOM 307 CG GLU A 49 0.084 16.412 4.888 1.00 1.00 C ATOM 308 CD GLU A 49 -0.194 17.834 4.397 1.00 1.00 C ATOM 309 OE1 GLU A 49 0.648 18.727 4.576 1.00 1.00 O ATOM 310 OE2 GLU A 49 -1.332 17.996 3.812 1.00 1.00 O ATOM 0 H GLU A 49 -0.537 13.284 4.878 1.00 1.00 H new ATOM 0 HA GLU A 49 -1.102 15.142 2.641 1.00 1.00 H new ATOM 0 HB2 GLU A 49 1.526 14.995 4.135 1.00 1.00 H new ATOM 0 HB3 GLU A 49 1.015 16.186 2.955 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -0.838 15.964 5.258 1.00 1.00 H new ATOM 0 HG3 GLU A 49 0.782 16.442 5.725 1.00 1.00 H new ATOM 318 N LYS A 50 0.060 12.262 2.694 1.00 1.00 N ATOM 319 CA LYS A 50 0.613 11.160 1.926 1.00 1.00 C ATOM 320 C LYS A 50 -0.506 10.176 1.577 1.00 1.00 C ATOM 321 O LYS A 50 -0.592 9.096 2.159 1.00 1.00 O ATOM 322 CB LYS A 50 1.783 10.519 2.674 1.00 1.00 C ATOM 323 CG LYS A 50 2.737 11.586 3.217 1.00 1.00 C ATOM 324 CD LYS A 50 3.805 11.944 2.181 1.00 1.00 C ATOM 325 CE LYS A 50 4.072 13.451 2.169 1.00 1.00 C ATOM 326 NZ LYS A 50 4.788 13.840 0.933 1.00 1.00 N ATOM 0 H LYS A 50 -0.475 11.983 3.516 1.00 1.00 H new ATOM 0 HA LYS A 50 1.027 11.522 0.985 1.00 1.00 H new ATOM 0 HB2 LYS A 50 1.405 9.912 3.496 1.00 1.00 H new ATOM 0 HB3 LYS A 50 2.324 9.849 2.005 1.00 1.00 H new ATOM 0 HG2 LYS A 50 2.174 12.479 3.488 1.00 1.00 H new ATOM 0 HG3 LYS A 50 3.215 11.223 4.127 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.728 11.409 2.405 1.00 1.00 H new ATOM 0 HD3 LYS A 50 3.481 11.620 1.192 1.00 1.00 H new ATOM 0 HE2 LYS A 50 3.129 13.994 2.237 1.00 1.00 H new ATOM 0 HE3 LYS A 50 4.663 13.729 3.042 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 4.961 14.865 0.940 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 5.696 13.336 0.885 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 4.210 13.593 0.105 1.00 1.00 H new ATOM 339 N THR A 51 -1.335 10.585 0.628 1.00 1.00 N ATOM 340 CA THR A 51 -2.444 9.754 0.194 1.00 1.00 C ATOM 341 C THR A 51 -2.000 8.816 -0.930 1.00 1.00 C ATOM 342 O THR A 51 -0.831 8.808 -1.312 1.00 1.00 O ATOM 343 CB THR A 51 -3.599 10.676 -0.205 1.00 1.00 C ATOM 344 OG1 THR A 51 -3.030 11.542 -1.182 1.00 1.00 O ATOM 345 CG2 THR A 51 -4.016 11.615 0.929 1.00 1.00 C ATOM 0 H THR A 51 -1.260 11.482 0.147 1.00 1.00 H new ATOM 0 HA THR A 51 -2.790 9.105 0.999 1.00 1.00 H new ATOM 0 HB THR A 51 -4.455 10.075 -0.512 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.711 12.172 -1.497 1.00 1.00 H new ATOM 0 HG21 THR A 51 -4.838 12.247 0.594 1.00 1.00 H new ATOM 0 HG22 THR A 51 -4.337 11.027 1.789 1.00 1.00 H new ATOM 0 HG23 THR A 51 -3.170 12.241 1.213 1.00 1.00 H new ATOM 353 N LEU A 52 -2.957 8.048 -1.430 1.00 1.00 N ATOM 354 CA LEU A 52 -2.680 7.108 -2.503 1.00 1.00 C ATOM 355 C LEU A 52 -2.957 7.781 -3.849 1.00 1.00 C ATOM 356 O LEU A 52 -3.181 7.104 -4.851 1.00 1.00 O ATOM 357 CB LEU A 52 -3.459 5.809 -2.292 1.00 1.00 C ATOM 358 CG LEU A 52 -3.103 5.008 -1.038 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.028 3.800 -0.878 1.00 1.00 C ATOM 360 CD2 LEU A 52 -1.627 4.603 -1.048 1.00 1.00 C ATOM 0 H LEU A 52 -3.926 8.058 -1.112 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.628 6.825 -2.499 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.522 6.048 -2.256 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.305 5.171 -3.162 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.256 5.647 -0.169 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -3.753 3.248 0.021 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.060 4.141 -0.794 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -3.931 3.150 -1.747 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.399 4.035 -0.146 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.424 3.988 -1.925 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.005 5.497 -1.080 1.00 1.00 H new ATOM 372 N ALA A 53 -2.933 9.106 -3.828 1.00 1.00 N ATOM 373 CA ALA A 53 -3.179 9.877 -5.034 1.00 1.00 C ATOM 374 C ALA A 53 -1.913 9.892 -5.892 1.00 1.00 C ATOM 375 O ALA A 53 -0.825 10.178 -5.394 1.00 1.00 O ATOM 376 CB ALA A 53 -3.643 11.285 -4.654 1.00 1.00 C ATOM 0 H ALA A 53 -2.747 9.664 -2.995 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.972 9.421 -5.626 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.828 11.864 -5.559 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.562 11.220 -4.071 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.871 11.775 -4.061 1.00 1.00 H new ATOM 382 N ARG A 54 -2.096 9.582 -7.167 1.00 1.00 N ATOM 383 CA ARG A 54 -0.981 9.556 -8.099 1.00 1.00 C ATOM 384 C ARG A 54 -0.187 10.861 -8.012 1.00 1.00 C ATOM 385 O ARG A 54 1.034 10.840 -7.866 1.00 1.00 O ATOM 386 CB ARG A 54 -1.469 9.358 -9.536 1.00 1.00 C ATOM 387 CG ARG A 54 -0.291 9.164 -10.493 1.00 1.00 C ATOM 388 CD ARG A 54 -0.558 9.847 -11.836 1.00 1.00 C ATOM 389 NE ARG A 54 0.196 11.118 -11.916 1.00 1.00 N ATOM 390 CZ ARG A 54 0.046 12.026 -12.904 1.00 1.00 C ATOM 391 NH1 ARG A 54 0.772 13.128 -12.876 1.00 1.00 N ATOM 392 NH2 ARG A 54 -0.833 11.810 -13.906 1.00 1.00 N ATOM 0 H ARG A 54 -3.000 9.347 -7.577 1.00 1.00 H new ATOM 0 HA ARG A 54 -0.340 8.718 -7.827 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -2.128 8.491 -9.584 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -2.056 10.222 -9.847 1.00 1.00 H new ATOM 0 HG2 ARG A 54 0.616 9.573 -10.047 1.00 1.00 H new ATOM 0 HG3 ARG A 54 -0.117 8.100 -10.650 1.00 1.00 H new ATOM 0 HD2 ARG A 54 -0.264 9.188 -12.653 1.00 1.00 H new ATOM 0 HD3 ARG A 54 -1.625 10.040 -11.950 1.00 1.00 H new ATOM 0 HE ARG A 54 0.871 11.321 -11.179 1.00 1.00 H new ATOM 0 HH11 ARG A 54 1.434 13.283 -12.116 1.00 1.00 H new ATOM 0 HH12 ARG A 54 0.671 13.824 -13.615 1.00 1.00 H new ATOM 0 HH21 ARG A 54 -1.390 10.956 -13.920 1.00 1.00 H new ATOM 0 HH22 ARG A 54 -0.940 12.501 -14.648 1.00 1.00 H new ATOM 402 N ALA A 55 -0.912 11.965 -8.106 1.00 1.00 N ATOM 403 CA ALA A 55 -0.291 13.277 -8.040 1.00 1.00 C ATOM 404 C ALA A 55 0.809 13.262 -6.976 1.00 1.00 C ATOM 405 O ALA A 55 1.844 13.907 -7.139 1.00 1.00 O ATOM 406 CB ALA A 55 -1.359 14.335 -7.760 1.00 1.00 C ATOM 0 H ALA A 55 -1.925 11.978 -8.227 1.00 1.00 H new ATOM 0 HA ALA A 55 0.175 13.530 -8.993 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.892 15.319 -7.711 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -2.100 14.324 -8.559 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.847 14.117 -6.810 1.00 1.00 H new ATOM 412 N ARG A 56 0.547 12.520 -5.911 1.00 1.00 N ATOM 413 CA ARG A 56 1.501 12.413 -4.820 1.00 1.00 C ATOM 414 C ARG A 56 2.447 11.234 -5.057 1.00 1.00 C ATOM 415 O ARG A 56 3.666 11.391 -5.003 1.00 1.00 O ATOM 416 CB ARG A 56 0.788 12.224 -3.480 1.00 1.00 C ATOM 417 CG ARG A 56 0.721 13.541 -2.704 1.00 1.00 C ATOM 418 CD ARG A 56 -0.348 14.468 -3.287 1.00 1.00 C ATOM 419 NE ARG A 56 -0.768 15.458 -2.270 1.00 1.00 N ATOM 420 CZ ARG A 56 -1.413 15.142 -1.127 1.00 1.00 C ATOM 421 NH1 ARG A 56 -1.741 16.108 -0.289 1.00 1.00 N ATOM 422 NH2 ARG A 56 -1.717 13.857 -0.845 1.00 1.00 N ATOM 0 H ARG A 56 -0.312 11.987 -5.780 1.00 1.00 H new ATOM 0 HA ARG A 56 2.072 13.341 -4.787 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -0.220 11.847 -3.651 1.00 1.00 H new ATOM 0 HB3 ARG A 56 1.313 11.475 -2.887 1.00 1.00 H new ATOM 0 HG2 ARG A 56 0.500 13.339 -1.656 1.00 1.00 H new ATOM 0 HG3 ARG A 56 1.692 14.035 -2.735 1.00 1.00 H new ATOM 0 HD2 ARG A 56 0.043 14.981 -4.166 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -1.208 13.884 -3.615 1.00 1.00 H new ATOM 0 HE ARG A 56 -0.557 16.441 -2.444 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -1.507 17.076 -0.510 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -2.229 15.886 0.579 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -1.459 13.117 -1.498 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -2.204 13.626 0.021 1.00 1.00 H new ATOM 432 N ARG A 57 1.850 10.079 -5.313 1.00 1.00 N ATOM 433 CA ARG A 57 2.625 8.874 -5.558 1.00 1.00 C ATOM 434 C ARG A 57 3.632 9.111 -6.685 1.00 1.00 C ATOM 435 O ARG A 57 4.597 8.361 -6.826 1.00 1.00 O ATOM 436 CB ARG A 57 1.715 7.702 -5.934 1.00 1.00 C ATOM 437 CG ARG A 57 1.577 6.721 -4.768 1.00 1.00 C ATOM 438 CD ARG A 57 1.416 5.286 -5.276 1.00 1.00 C ATOM 439 NE ARG A 57 0.020 4.834 -5.080 1.00 1.00 N ATOM 440 CZ ARG A 57 -1.008 5.184 -5.882 1.00 1.00 C ATOM 441 NH1 ARG A 57 -2.215 4.721 -5.614 1.00 1.00 N ATOM 442 NH2 ARG A 57 -0.805 5.994 -6.943 1.00 1.00 N ATOM 0 H ARG A 57 0.839 9.952 -5.356 1.00 1.00 H new ATOM 0 HA ARG A 57 3.156 8.627 -4.638 1.00 1.00 H new ATOM 0 HB2 ARG A 57 0.731 8.077 -6.217 1.00 1.00 H new ATOM 0 HB3 ARG A 57 2.122 7.185 -6.803 1.00 1.00 H new ATOM 0 HG2 ARG A 57 2.456 6.787 -4.126 1.00 1.00 H new ATOM 0 HG3 ARG A 57 0.716 6.994 -4.158 1.00 1.00 H new ATOM 0 HD2 ARG A 57 1.679 5.234 -6.332 1.00 1.00 H new ATOM 0 HD3 ARG A 57 2.099 4.624 -4.744 1.00 1.00 H new ATOM 0 HE ARG A 57 -0.177 4.220 -4.290 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -2.360 4.109 -4.811 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -3.003 4.976 -6.210 1.00 1.00 H new ATOM 0 HH21 ARG A 57 0.131 6.347 -7.144 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -1.587 6.253 -7.544 1.00 1.00 H new ATOM 452 N GLU A 58 3.374 10.156 -7.457 1.00 1.00 N ATOM 453 CA GLU A 58 4.246 10.500 -8.567 1.00 1.00 C ATOM 454 C GLU A 58 5.501 11.209 -8.055 1.00 1.00 C ATOM 455 O GLU A 58 6.604 10.951 -8.535 1.00 1.00 O ATOM 456 CB GLU A 58 3.511 11.361 -9.596 1.00 1.00 C ATOM 457 CG GLU A 58 3.814 12.846 -9.384 1.00 1.00 C ATOM 458 CD GLU A 58 5.215 13.197 -9.889 1.00 1.00 C ATOM 459 OE1 GLU A 58 5.665 12.645 -10.904 1.00 1.00 O ATOM 460 OE2 GLU A 58 5.843 14.078 -9.186 1.00 1.00 O ATOM 0 H GLU A 58 2.573 10.776 -7.336 1.00 1.00 H new ATOM 0 HA GLU A 58 4.550 9.579 -9.064 1.00 1.00 H new ATOM 0 HB2 GLU A 58 3.809 11.065 -10.602 1.00 1.00 H new ATOM 0 HB3 GLU A 58 2.437 11.190 -9.518 1.00 1.00 H new ATOM 0 HG2 GLU A 58 3.073 13.450 -9.907 1.00 1.00 H new ATOM 0 HG3 GLU A 58 3.734 13.090 -8.325 1.00 1.00 H new ATOM 468 N ALA A 59 5.292 12.089 -7.086 1.00 1.00 N ATOM 469 CA ALA A 59 6.393 12.837 -6.504 1.00 1.00 C ATOM 470 C ALA A 59 7.440 11.859 -5.966 1.00 1.00 C ATOM 471 O ALA A 59 8.598 11.895 -6.380 1.00 1.00 O ATOM 472 CB ALA A 59 5.857 13.772 -5.418 1.00 1.00 C ATOM 0 H ALA A 59 4.376 12.300 -6.690 1.00 1.00 H new ATOM 0 HA ALA A 59 6.877 13.457 -7.259 1.00 1.00 H new ATOM 0 HB1 ALA A 59 6.683 14.333 -4.981 1.00 1.00 H new ATOM 0 HB2 ALA A 59 5.139 14.465 -5.856 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.367 13.185 -4.642 1.00 1.00 H new ATOM 478 N ASN A 60 6.996 11.009 -5.052 1.00 1.00 N ATOM 479 CA ASN A 60 7.880 10.024 -4.454 1.00 1.00 C ATOM 480 C ASN A 60 8.111 8.883 -5.446 1.00 1.00 C ATOM 481 O ASN A 60 9.160 8.240 -5.426 1.00 1.00 O ATOM 482 CB ASN A 60 7.265 9.430 -3.185 1.00 1.00 C ATOM 483 CG ASN A 60 7.296 10.440 -2.036 1.00 1.00 C ATOM 484 OD1 ASN A 60 7.148 11.704 -2.422 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 7.444 10.094 -0.876 1.00 1.00 N flip ATOM 0 H ASN A 60 6.035 10.982 -4.711 1.00 1.00 H new ATOM 0 HA ASN A 60 8.817 10.521 -4.202 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.236 9.129 -3.382 1.00 1.00 H new ATOM 0 HB3 ASN A 60 7.811 8.531 -2.899 1.00 1.00 H new ATOM 0 HD21 ASN A 60 7.552 9.106 -0.648 1.00 1.00 H new ATOM 0 HD22 ASN A 60 7.460 10.793 -0.133 1.00 1.00 H new ATOM 492 N GLY A 61 7.114 8.665 -6.292 1.00 1.00 N ATOM 493 CA GLY A 61 7.195 7.613 -7.290 1.00 1.00 C ATOM 494 C GLY A 61 6.865 6.250 -6.678 1.00 1.00 C ATOM 495 O GLY A 61 7.758 5.538 -6.220 1.00 1.00 O ATOM 0 H GLY A 61 6.246 9.200 -6.306 1.00 1.00 H new ATOM 0 HA2 GLY A 61 6.504 7.826 -8.105 1.00 1.00 H new ATOM 0 HA3 GLY A 61 8.197 7.590 -7.719 1.00 1.00 H new ATOM 499 N ILE A 62 5.580 5.927 -6.689 1.00 1.00 N ATOM 500 CA ILE A 62 5.121 4.662 -6.141 1.00 1.00 C ATOM 501 C ILE A 62 3.984 4.118 -7.009 1.00 1.00 C ATOM 502 O ILE A 62 3.036 3.526 -6.495 1.00 1.00 O ATOM 503 CB ILE A 62 4.747 4.822 -4.666 1.00 1.00 C ATOM 504 CG1 ILE A 62 5.884 5.477 -3.880 1.00 1.00 C ATOM 505 CG2 ILE A 62 4.328 3.481 -4.059 1.00 1.00 C ATOM 506 CD1 ILE A 62 5.703 5.266 -2.376 1.00 1.00 C ATOM 0 H ILE A 62 4.842 6.520 -7.069 1.00 1.00 H new ATOM 0 HA ILE A 62 5.922 3.923 -6.164 1.00 1.00 H new ATOM 0 HB ILE A 62 3.886 5.488 -4.601 1.00 1.00 H new ATOM 0 HG12 ILE A 62 6.839 5.058 -4.197 1.00 1.00 H new ATOM 0 HG13 ILE A 62 5.915 6.544 -4.100 1.00 1.00 H new ATOM 0 HG21 ILE A 62 4.067 3.622 -3.010 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.465 3.091 -4.598 1.00 1.00 H new ATOM 0 HG23 ILE A 62 5.153 2.773 -4.136 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.525 5.741 -1.840 1.00 1.00 H new ATOM 0 HD12 ILE A 62 4.759 5.708 -2.058 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.696 4.198 -2.157 1.00 1.00 H new ATOM 518 N ARG A 63 4.117 4.337 -8.309 1.00 1.00 N ATOM 519 CA ARG A 63 3.113 3.876 -9.252 1.00 1.00 C ATOM 520 C ARG A 63 3.549 2.553 -9.886 1.00 1.00 C ATOM 521 O ARG A 63 3.781 2.486 -11.092 1.00 1.00 O ATOM 522 CB ARG A 63 2.878 4.910 -10.355 1.00 1.00 C ATOM 523 CG ARG A 63 3.150 6.326 -9.846 1.00 1.00 C ATOM 524 CD ARG A 63 4.554 6.790 -10.238 1.00 1.00 C ATOM 525 NE ARG A 63 4.516 7.457 -11.559 1.00 1.00 N ATOM 526 CZ ARG A 63 5.466 8.305 -12.006 1.00 1.00 C ATOM 527 NH1 ARG A 63 5.331 8.845 -13.203 1.00 1.00 N ATOM 528 NH2 ARG A 63 6.539 8.597 -11.241 1.00 1.00 N ATOM 0 H ARG A 63 4.905 4.828 -8.731 1.00 1.00 H new ATOM 0 HA ARG A 63 2.183 3.730 -8.703 1.00 1.00 H new ATOM 0 HB2 ARG A 63 3.526 4.694 -11.204 1.00 1.00 H new ATOM 0 HB3 ARG A 63 1.851 4.839 -10.712 1.00 1.00 H new ATOM 0 HG2 ARG A 63 2.409 7.012 -10.256 1.00 1.00 H new ATOM 0 HG3 ARG A 63 3.044 6.353 -8.762 1.00 1.00 H new ATOM 0 HD2 ARG A 63 4.942 7.477 -9.486 1.00 1.00 H new ATOM 0 HD3 ARG A 63 5.232 5.937 -10.271 1.00 1.00 H new ATOM 0 HE ARG A 63 3.722 7.264 -12.170 1.00 1.00 H new ATOM 0 HH11 ARG A 63 4.517 8.619 -13.775 1.00 1.00 H new ATOM 0 HH12 ARG A 63 6.040 9.488 -13.555 1.00 1.00 H new ATOM 0 HH21 ARG A 63 6.637 8.176 -10.317 1.00 1.00 H new ATOM 0 HH22 ARG A 63 7.252 9.239 -11.587 1.00 1.00 H new ATOM 538 N THR A 64 3.646 1.534 -9.045 1.00 1.00 N ATOM 539 CA THR A 64 4.049 0.218 -9.509 1.00 1.00 C ATOM 540 C THR A 64 3.525 -0.864 -8.562 1.00 1.00 C ATOM 541 O THR A 64 3.381 -0.629 -7.364 1.00 1.00 O ATOM 542 CB THR A 64 5.572 0.213 -9.652 1.00 1.00 C ATOM 543 OG1 THR A 64 6.042 0.661 -8.384 1.00 1.00 O ATOM 544 CG2 THR A 64 6.071 1.277 -10.632 1.00 1.00 C ATOM 0 H THR A 64 3.452 1.593 -8.045 1.00 1.00 H new ATOM 0 HA THR A 64 3.616 -0.008 -10.483 1.00 1.00 H new ATOM 0 HB THR A 64 5.902 -0.771 -9.985 1.00 1.00 H new ATOM 0 HG1 THR A 64 6.995 0.451 -8.296 1.00 1.00 H new ATOM 0 HG21 THR A 64 7.158 1.231 -10.697 1.00 1.00 H new ATOM 0 HG22 THR A 64 5.641 1.095 -11.617 1.00 1.00 H new ATOM 0 HG23 THR A 64 5.770 2.264 -10.281 1.00 1.00 H new ATOM 552 N VAL A 65 3.253 -2.027 -9.137 1.00 1.00 N ATOM 553 CA VAL A 65 2.748 -3.146 -8.360 1.00 1.00 C ATOM 554 C VAL A 65 3.825 -3.604 -7.374 1.00 1.00 C ATOM 555 O VAL A 65 3.588 -3.649 -6.168 1.00 1.00 O ATOM 556 CB VAL A 65 2.280 -4.263 -9.295 1.00 1.00 C ATOM 557 CG1 VAL A 65 2.103 -5.578 -8.532 1.00 1.00 C ATOM 558 CG2 VAL A 65 0.989 -3.869 -10.016 1.00 1.00 C ATOM 0 H VAL A 65 3.373 -2.218 -10.132 1.00 1.00 H new ATOM 0 HA VAL A 65 1.879 -2.844 -7.775 1.00 1.00 H new ATOM 0 HB VAL A 65 3.052 -4.415 -10.049 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.770 -6.356 -9.219 1.00 1.00 H new ATOM 0 HG12 VAL A 65 3.054 -5.871 -8.086 1.00 1.00 H new ATOM 0 HG13 VAL A 65 1.359 -5.445 -7.746 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.678 -4.680 -10.674 1.00 1.00 H new ATOM 0 HG22 VAL A 65 0.206 -3.677 -9.282 1.00 1.00 H new ATOM 0 HG23 VAL A 65 1.162 -2.969 -10.606 1.00 1.00 H new ATOM 568 N ARG A 66 4.985 -3.932 -7.924 1.00 1.00 N ATOM 569 CA ARG A 66 6.098 -4.384 -7.108 1.00 1.00 C ATOM 570 C ARG A 66 6.255 -3.487 -5.878 1.00 1.00 C ATOM 571 O ARG A 66 6.067 -3.936 -4.749 1.00 1.00 O ATOM 572 CB ARG A 66 7.404 -4.378 -7.905 1.00 1.00 C ATOM 573 CG ARG A 66 7.507 -5.616 -8.798 1.00 1.00 C ATOM 574 CD ARG A 66 8.960 -6.076 -8.932 1.00 1.00 C ATOM 575 NE ARG A 66 9.006 -7.514 -9.277 1.00 1.00 N ATOM 576 CZ ARG A 66 8.749 -8.511 -8.403 1.00 1.00 C ATOM 577 NH1 ARG A 66 8.820 -9.761 -8.820 1.00 1.00 N ATOM 578 NH2 ARG A 66 8.425 -8.232 -7.123 1.00 1.00 N ATOM 0 H ARG A 66 5.178 -3.894 -8.925 1.00 1.00 H new ATOM 0 HA ARG A 66 5.883 -5.405 -6.792 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.456 -3.478 -8.518 1.00 1.00 H new ATOM 0 HB3 ARG A 66 8.252 -4.347 -7.221 1.00 1.00 H new ATOM 0 HG2 ARG A 66 6.904 -6.422 -8.380 1.00 1.00 H new ATOM 0 HG3 ARG A 66 7.100 -5.392 -9.784 1.00 1.00 H new ATOM 0 HD2 ARG A 66 9.465 -5.493 -9.702 1.00 1.00 H new ATOM 0 HD3 ARG A 66 9.493 -5.901 -7.998 1.00 1.00 H new ATOM 0 HE ARG A 66 9.247 -7.768 -10.235 1.00 1.00 H new ATOM 0 HH11 ARG A 66 9.066 -9.962 -9.789 1.00 1.00 H new ATOM 0 HH12 ARG A 66 8.629 -10.526 -8.173 1.00 1.00 H new ATOM 0 HH21 ARG A 66 8.373 -7.263 -6.810 1.00 1.00 H new ATOM 0 HH22 ARG A 66 8.232 -8.990 -6.469 1.00 1.00 H new ATOM 588 N ASP A 67 6.598 -2.234 -6.140 1.00 1.00 N ATOM 589 CA ASP A 67 6.783 -1.269 -5.069 1.00 1.00 C ATOM 590 C ASP A 67 5.766 -1.546 -3.960 1.00 1.00 C ATOM 591 O ASP A 67 6.084 -1.426 -2.777 1.00 1.00 O ATOM 592 CB ASP A 67 6.559 0.159 -5.570 1.00 1.00 C ATOM 593 CG ASP A 67 7.709 0.742 -6.394 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.041 1.931 -6.275 1.00 1.00 O ATOM 595 OD2 ASP A 67 8.281 -0.090 -7.197 1.00 1.00 O ATOM 0 H ASP A 67 6.753 -1.865 -7.078 1.00 1.00 H new ATOM 0 HA ASP A 67 7.804 -1.365 -4.700 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.652 0.178 -6.175 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.383 0.806 -4.711 1.00 1.00 H new ATOM 601 N VAL A 68 4.563 -1.909 -4.380 1.00 1.00 N ATOM 602 CA VAL A 68 3.498 -2.203 -3.436 1.00 1.00 C ATOM 603 C VAL A 68 3.570 -3.678 -3.036 1.00 1.00 C ATOM 604 O VAL A 68 2.571 -4.392 -3.103 1.00 1.00 O ATOM 605 CB VAL A 68 2.146 -1.811 -4.035 1.00 1.00 C ATOM 606 CG1 VAL A 68 1.006 -2.111 -3.059 1.00 1.00 C ATOM 607 CG2 VAL A 68 2.137 -0.339 -4.452 1.00 1.00 C ATOM 0 H VAL A 68 4.302 -2.006 -5.361 1.00 1.00 H new ATOM 0 HA VAL A 68 3.619 -1.614 -2.527 1.00 1.00 H new ATOM 0 HB VAL A 68 1.989 -2.414 -4.930 1.00 1.00 H new ATOM 0 HG11 VAL A 68 0.056 -1.823 -3.509 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.992 -3.177 -2.833 1.00 1.00 H new ATOM 0 HG13 VAL A 68 1.157 -1.547 -2.139 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.165 -0.086 -4.875 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.328 0.287 -3.580 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.913 -0.168 -5.198 1.00 1.00 H new ATOM 617 N ALA A 69 4.761 -4.090 -2.628 1.00 1.00 N ATOM 618 CA ALA A 69 4.976 -5.467 -2.217 1.00 1.00 C ATOM 619 C ALA A 69 6.296 -5.565 -1.449 1.00 1.00 C ATOM 620 O ALA A 69 6.374 -6.245 -0.427 1.00 1.00 O ATOM 621 CB ALA A 69 4.948 -6.378 -3.446 1.00 1.00 C ATOM 0 H ALA A 69 5.587 -3.494 -2.573 1.00 1.00 H new ATOM 0 HA ALA A 69 4.180 -5.796 -1.549 1.00 1.00 H new ATOM 0 HB1 ALA A 69 5.109 -7.411 -3.137 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.980 -6.294 -3.939 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.735 -6.079 -4.138 1.00 1.00 H new ATOM 627 N ALA A 70 7.300 -4.877 -1.972 1.00 1.00 N ATOM 628 CA ALA A 70 8.613 -4.878 -1.348 1.00 1.00 C ATOM 629 C ALA A 70 8.581 -3.992 -0.101 1.00 1.00 C ATOM 630 O ALA A 70 8.742 -4.448 1.028 1.00 1.00 O ATOM 631 CB ALA A 70 9.661 -4.419 -2.363 1.00 1.00 C ATOM 0 H ALA A 70 7.231 -4.315 -2.821 1.00 1.00 H new ATOM 0 HA ALA A 70 8.886 -5.884 -1.030 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.645 -4.420 -1.895 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.664 -5.098 -3.215 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.422 -3.411 -2.703 1.00 1.00 H new ATOM 637 N TYR A 71 8.367 -2.695 -0.336 1.00 1.00 N ATOM 638 CA TYR A 71 8.310 -1.724 0.738 1.00 1.00 C ATOM 639 C TYR A 71 7.444 -2.257 1.870 1.00 1.00 C ATOM 640 O TYR A 71 7.926 -2.339 2.999 1.00 1.00 O ATOM 641 CB TYR A 71 7.752 -0.409 0.203 1.00 1.00 C ATOM 642 CG TYR A 71 8.804 0.655 0.001 1.00 1.00 C ATOM 643 CD1 TYR A 71 9.899 0.405 -0.835 1.00 1.00 C ATOM 644 CD2 TYR A 71 8.686 1.890 0.649 1.00 1.00 C ATOM 645 CE1 TYR A 71 10.875 1.392 -1.023 1.00 1.00 C ATOM 646 CE2 TYR A 71 9.661 2.876 0.461 1.00 1.00 C ATOM 647 CZ TYR A 71 10.756 2.627 -0.375 1.00 1.00 C ATOM 648 OH TYR A 71 11.707 3.588 -0.559 1.00 1.00 O ATOM 0 H TYR A 71 8.231 -2.301 -1.267 1.00 1.00 H new ATOM 0 HA TYR A 71 9.312 -1.547 1.128 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.249 -0.596 -0.746 1.00 1.00 H new ATOM 0 HB3 TYR A 71 6.997 -0.036 0.895 1.00 1.00 H new ATOM 0 HD1 TYR A 71 9.991 -0.548 -1.335 1.00 1.00 H new ATOM 0 HD2 TYR A 71 7.842 2.082 1.295 1.00 1.00 H new ATOM 0 HE1 TYR A 71 11.720 1.200 -1.668 1.00 1.00 H new ATOM 0 HE2 TYR A 71 9.569 3.829 0.961 1.00 1.00 H new ATOM 0 HH TYR A 71 11.472 4.384 -0.038 1.00 1.00 H new ATOM 658 N ILE A 72 6.204 -2.604 1.556 1.00 1.00 N ATOM 659 CA ILE A 72 5.295 -3.125 2.563 1.00 1.00 C ATOM 660 C ILE A 72 6.058 -4.070 3.493 1.00 1.00 C ATOM 661 O ILE A 72 5.804 -4.102 4.696 1.00 1.00 O ATOM 662 CB ILE A 72 4.074 -3.766 1.902 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.491 -4.902 0.965 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.223 -2.716 1.186 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.397 -5.968 0.874 1.00 1.00 C ATOM 0 H ILE A 72 5.808 -2.535 0.619 1.00 1.00 H new ATOM 0 HA ILE A 72 4.906 -2.315 3.180 1.00 1.00 H new ATOM 0 HB ILE A 72 3.453 -4.204 2.684 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.697 -4.502 -0.028 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.415 -5.354 1.325 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.361 -3.199 0.725 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.880 -1.973 1.906 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.820 -2.227 0.416 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.719 -6.763 0.202 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.210 -6.383 1.864 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.481 -5.518 0.491 1.00 1.00 H new ATOM 677 N ARG A 73 6.978 -4.817 2.901 1.00 1.00 N ATOM 678 CA ARG A 73 7.780 -5.760 3.661 1.00 1.00 C ATOM 679 C ARG A 73 8.638 -5.020 4.689 1.00 1.00 C ATOM 680 O ARG A 73 8.488 -5.227 5.893 1.00 1.00 O ATOM 681 CB ARG A 73 8.690 -6.577 2.741 1.00 1.00 C ATOM 682 CG ARG A 73 9.220 -7.821 3.458 1.00 1.00 C ATOM 683 CD ARG A 73 9.014 -9.074 2.605 1.00 1.00 C ATOM 684 NE ARG A 73 10.022 -10.099 2.958 1.00 1.00 N ATOM 685 CZ ARG A 73 10.398 -11.104 2.140 1.00 1.00 C ATOM 686 NH1 ARG A 73 11.308 -11.964 2.559 1.00 1.00 N ATOM 687 NH2 ARG A 73 9.851 -11.230 0.912 1.00 1.00 N ATOM 0 H ARG A 73 7.186 -4.788 1.903 1.00 1.00 H new ATOM 0 HA ARG A 73 7.097 -6.438 4.173 1.00 1.00 H new ATOM 0 HB2 ARG A 73 8.139 -6.874 1.849 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.525 -5.961 2.409 1.00 1.00 H new ATOM 0 HG2 ARG A 73 10.281 -7.695 3.676 1.00 1.00 H new ATOM 0 HG3 ARG A 73 8.710 -7.939 4.414 1.00 1.00 H new ATOM 0 HD2 ARG A 73 8.011 -9.470 2.762 1.00 1.00 H new ATOM 0 HD3 ARG A 73 9.095 -8.821 1.548 1.00 1.00 H new ATOM 0 HE ARG A 73 10.460 -10.042 3.877 1.00 1.00 H new ATOM 0 HH11 ARG A 73 11.716 -11.863 3.489 1.00 1.00 H new ATOM 0 HH12 ARG A 73 11.603 -12.730 1.953 1.00 1.00 H new ATOM 0 HH21 ARG A 73 9.148 -10.562 0.596 1.00 1.00 H new ATOM 0 HH22 ARG A 73 10.141 -11.993 0.300 1.00 1.00 H new ATOM 697 N ASN A 74 9.519 -4.173 4.178 1.00 1.00 N ATOM 698 CA ASN A 74 10.401 -3.401 5.036 1.00 1.00 C ATOM 699 C ASN A 74 10.293 -1.919 4.671 1.00 1.00 C ATOM 700 O ASN A 74 11.172 -1.338 4.038 1.00 1.00 O ATOM 701 CB ASN A 74 11.859 -3.828 4.855 1.00 1.00 C ATOM 702 CG ASN A 74 12.684 -3.506 6.103 1.00 1.00 C ATOM 703 OD1 ASN A 74 13.587 -2.687 6.087 1.00 1.00 O ATOM 704 ND2 ASN A 74 12.324 -4.196 7.182 1.00 1.00 N ATOM 0 H ASN A 74 9.641 -4.004 3.179 1.00 1.00 H new ATOM 0 HA ASN A 74 10.101 -3.573 6.070 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.906 -4.898 4.650 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.286 -3.319 3.991 1.00 1.00 H new ATOM 0 HD21 ASN A 74 12.814 -4.054 8.065 1.00 1.00 H new ATOM 0 HD22 ASN A 74 11.558 -4.867 7.126 1.00 1.00 H new ATOM 711 N PRO A 75 9.179 -1.314 5.090 1.00 1.00 N ATOM 712 CA PRO A 75 8.872 0.080 4.857 1.00 1.00 C ATOM 713 C PRO A 75 9.535 0.935 5.928 1.00 1.00 C ATOM 714 O PRO A 75 10.127 0.377 6.850 1.00 1.00 O ATOM 715 CB PRO A 75 7.350 0.167 4.952 1.00 1.00 C ATOM 716 CG PRO A 75 6.988 -0.951 5.883 1.00 1.00 C ATOM 717 CD PRO A 75 8.126 -1.968 5.836 1.00 1.00 C ATOM 0 HA PRO A 75 9.234 0.439 3.894 1.00 1.00 H new ATOM 0 HB2 PRO A 75 7.028 1.133 5.341 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.880 0.044 3.976 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.849 -0.577 6.897 1.00 1.00 H new ATOM 0 HG3 PRO A 75 6.048 -1.413 5.582 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.459 -2.235 6.839 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.811 -2.891 5.349 1.00 1.00 H new ATOM 725 N GLY A 76 9.428 2.249 5.790 1.00 1.00 N ATOM 726 CA GLY A 76 10.026 3.154 6.756 1.00 1.00 C ATOM 727 C GLY A 76 9.063 3.438 7.910 1.00 1.00 C ATOM 728 O GLY A 76 8.026 2.798 8.068 1.00 1.00 O ATOM 0 H GLY A 76 8.936 2.708 5.023 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.947 2.720 7.145 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.297 4.089 6.265 1.00 1.00 H new ATOM 732 N PRO A 77 9.435 4.429 8.724 1.00 1.00 N ATOM 733 CA PRO A 77 8.676 4.867 9.876 1.00 1.00 C ATOM 734 C PRO A 77 7.311 5.368 9.427 1.00 1.00 C ATOM 735 O PRO A 77 7.186 5.810 8.286 1.00 1.00 O ATOM 736 CB PRO A 77 9.503 5.999 10.482 1.00 1.00 C ATOM 737 CG PRO A 77 10.424 6.460 9.406 1.00 1.00 C ATOM 738 CD PRO A 77 10.648 5.203 8.568 1.00 1.00 C ATOM 0 HA PRO A 77 8.500 4.069 10.597 1.00 1.00 H new ATOM 0 HB2 PRO A 77 8.861 6.812 10.820 1.00 1.00 H new ATOM 0 HB3 PRO A 77 10.062 5.651 11.351 1.00 1.00 H new ATOM 0 HG2 PRO A 77 9.982 7.263 8.816 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.359 6.842 9.814 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.826 5.452 7.522 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.519 4.647 8.915 1.00 1.00 H new ATOM 746 N GLY A 78 6.329 5.292 10.313 1.00 1.00 N ATOM 747 CA GLY A 78 4.988 5.741 9.985 1.00 1.00 C ATOM 748 C GLY A 78 4.102 4.566 9.567 1.00 1.00 C ATOM 749 O GLY A 78 2.906 4.552 9.854 1.00 1.00 O ATOM 0 H GLY A 78 6.436 4.926 11.259 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.548 6.244 10.846 1.00 1.00 H new ATOM 0 HA3 GLY A 78 5.033 6.472 9.178 1.00 1.00 H new ATOM 753 N MET A 79 4.724 3.608 8.895 1.00 1.00 N ATOM 754 CA MET A 79 4.007 2.431 8.435 1.00 1.00 C ATOM 755 C MET A 79 4.606 1.156 9.031 1.00 1.00 C ATOM 756 O MET A 79 5.814 0.930 9.010 1.00 1.00 O ATOM 757 CB MET A 79 4.071 2.359 6.908 1.00 1.00 C ATOM 758 CG MET A 79 2.860 1.612 6.343 1.00 1.00 C ATOM 759 SD MET A 79 2.659 1.997 4.612 1.00 1.00 S ATOM 760 CE MET A 79 3.158 0.444 3.888 1.00 1.00 C ATOM 0 H MET A 79 5.716 3.623 8.658 1.00 1.00 H new ATOM 0 HA MET A 79 2.970 2.510 8.761 1.00 1.00 H new ATOM 0 HB2 MET A 79 4.107 3.367 6.494 1.00 1.00 H new ATOM 0 HB3 MET A 79 4.988 1.856 6.602 1.00 1.00 H new ATOM 0 HG2 MET A 79 2.992 0.538 6.472 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.961 1.891 6.893 1.00 1.00 H new ATOM 0 HE1 MET A 79 3.091 0.511 2.802 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.186 0.222 4.176 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.502 -0.351 4.244 1.00 1.00 H new ATOM 770 N PRO A 80 3.720 0.316 9.572 1.00 1.00 N ATOM 771 CA PRO A 80 4.065 -0.947 10.190 1.00 1.00 C ATOM 772 C PRO A 80 4.875 -1.789 9.214 1.00 1.00 C ATOM 773 O PRO A 80 5.652 -1.224 8.445 1.00 1.00 O ATOM 774 CB PRO A 80 2.725 -1.609 10.503 1.00 1.00 C ATOM 775 CG PRO A 80 1.746 -0.523 10.554 1.00 1.00 C ATOM 776 CD PRO A 80 2.293 0.549 9.614 1.00 1.00 C ATOM 0 HA PRO A 80 4.672 -0.828 11.087 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.461 -2.338 9.737 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.765 -2.144 11.452 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.762 -0.864 10.233 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.635 -0.139 11.568 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.850 0.467 8.621 1.00 1.00 H new ATOM 0 HD3 PRO A 80 2.067 1.550 9.982 1.00 1.00 H new ATOM 784 N ALA A 81 4.684 -3.099 9.260 1.00 1.00 N ATOM 785 CA ALA A 81 5.409 -3.992 8.372 1.00 1.00 C ATOM 786 C ALA A 81 4.530 -5.200 8.042 1.00 1.00 C ATOM 787 O ALA A 81 3.471 -5.384 8.641 1.00 1.00 O ATOM 788 CB ALA A 81 6.733 -4.396 9.023 1.00 1.00 C ATOM 0 H ALA A 81 4.038 -3.564 9.898 1.00 1.00 H new ATOM 0 HA ALA A 81 5.647 -3.490 7.434 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.277 -5.066 8.357 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.333 -3.505 9.211 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.534 -4.905 9.966 1.00 1.00 H new ATOM 794 N PHE A 82 5.000 -5.992 7.090 1.00 1.00 N ATOM 795 CA PHE A 82 4.270 -7.177 6.673 1.00 1.00 C ATOM 796 C PHE A 82 5.214 -8.217 6.065 1.00 1.00 C ATOM 797 O PHE A 82 5.701 -8.040 4.949 1.00 1.00 O ATOM 798 CB PHE A 82 3.266 -6.732 5.608 1.00 1.00 C ATOM 799 CG PHE A 82 2.223 -5.734 6.115 1.00 1.00 C ATOM 800 CD1 PHE A 82 2.508 -4.405 6.137 1.00 1.00 C ATOM 801 CD2 PHE A 82 1.010 -6.177 6.542 1.00 1.00 C ATOM 802 CE1 PHE A 82 1.540 -3.478 6.608 1.00 1.00 C ATOM 803 CE2 PHE A 82 0.042 -5.251 7.012 1.00 1.00 C ATOM 804 CZ PHE A 82 0.327 -3.921 7.035 1.00 1.00 C ATOM 0 H PHE A 82 5.878 -5.836 6.595 1.00 1.00 H new ATOM 0 HA PHE A 82 3.777 -7.632 7.532 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.809 -6.283 4.776 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.753 -7.611 5.217 1.00 1.00 H new ATOM 0 HD1 PHE A 82 3.471 -4.054 5.796 1.00 1.00 H new ATOM 0 HD2 PHE A 82 0.783 -7.233 6.524 1.00 1.00 H new ATOM 0 HE1 PHE A 82 1.767 -2.422 6.627 1.00 1.00 H new ATOM 0 HE2 PHE A 82 -0.921 -5.603 7.351 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.410 -3.217 7.392 1.00 1.00 H new ATOM 814 N GLY A 83 5.443 -9.278 6.825 1.00 1.00 N ATOM 815 CA GLY A 83 6.319 -10.345 6.375 1.00 1.00 C ATOM 816 C GLY A 83 5.510 -11.557 5.906 1.00 1.00 C ATOM 817 O GLY A 83 4.295 -11.470 5.740 1.00 1.00 O ATOM 0 H GLY A 83 5.037 -9.421 7.750 1.00 1.00 H new ATOM 0 HA2 GLY A 83 6.947 -9.985 5.560 1.00 1.00 H new ATOM 0 HA3 GLY A 83 6.986 -10.640 7.186 1.00 1.00 H new ATOM 821 N GLU A 84 6.218 -12.659 5.706 1.00 1.00 N ATOM 822 CA GLU A 84 5.582 -13.887 5.260 1.00 1.00 C ATOM 823 C GLU A 84 4.903 -14.591 6.436 1.00 1.00 C ATOM 824 O GLU A 84 4.383 -15.695 6.287 1.00 1.00 O ATOM 825 CB GLU A 84 6.592 -14.811 4.576 1.00 1.00 C ATOM 826 CG GLU A 84 7.691 -15.238 5.551 1.00 1.00 C ATOM 827 CD GLU A 84 8.000 -16.730 5.410 1.00 1.00 C ATOM 828 OE1 GLU A 84 9.176 -17.113 5.314 1.00 1.00 O ATOM 829 OE2 GLU A 84 6.967 -17.502 5.402 1.00 1.00 O ATOM 0 H GLU A 84 7.226 -12.727 5.845 1.00 1.00 H new ATOM 0 HA GLU A 84 4.818 -13.631 4.526 1.00 1.00 H new ATOM 0 HB2 GLU A 84 6.081 -15.693 4.190 1.00 1.00 H new ATOM 0 HB3 GLU A 84 7.037 -14.301 3.722 1.00 1.00 H new ATOM 0 HG2 GLU A 84 8.594 -14.657 5.364 1.00 1.00 H new ATOM 0 HG3 GLU A 84 7.379 -15.023 6.573 1.00 1.00 H new ATOM 837 N ALA A 85 4.930 -13.923 7.580 1.00 1.00 N ATOM 838 CA ALA A 85 4.324 -14.470 8.781 1.00 1.00 C ATOM 839 C ALA A 85 2.809 -14.559 8.588 1.00 1.00 C ATOM 840 O ALA A 85 2.189 -15.555 8.958 1.00 1.00 O ATOM 841 CB ALA A 85 4.709 -13.609 9.986 1.00 1.00 C ATOM 0 H ALA A 85 5.363 -13.007 7.700 1.00 1.00 H new ATOM 0 HA ALA A 85 4.692 -15.478 8.971 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.254 -14.020 10.887 1.00 1.00 H new ATOM 0 HB2 ALA A 85 5.793 -13.603 10.097 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.354 -12.590 9.833 1.00 1.00 H new ATOM 847 N MET A 86 2.256 -13.503 8.009 1.00 1.00 N ATOM 848 CA MET A 86 0.825 -13.448 7.762 1.00 1.00 C ATOM 849 C MET A 86 0.528 -13.422 6.261 1.00 1.00 C ATOM 850 O MET A 86 -0.229 -14.252 5.760 1.00 1.00 O ATOM 851 CB MET A 86 0.241 -12.197 8.420 1.00 1.00 C ATOM 852 CG MET A 86 -1.277 -12.317 8.575 1.00 1.00 C ATOM 853 SD MET A 86 -1.884 -11.029 9.652 1.00 1.00 S ATOM 854 CE MET A 86 -1.357 -11.672 11.231 1.00 1.00 C ATOM 0 H MET A 86 2.773 -12.679 7.704 1.00 1.00 H new ATOM 0 HA MET A 86 0.367 -14.341 8.188 1.00 1.00 H new ATOM 0 HB2 MET A 86 0.699 -12.048 9.398 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.481 -11.320 7.819 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.757 -12.243 7.599 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.533 -13.295 8.983 1.00 1.00 H new ATOM 0 HE1 MET A 86 -2.181 -11.611 11.942 1.00 1.00 H new ATOM 0 HE2 MET A 86 -1.053 -12.712 11.117 1.00 1.00 H new ATOM 0 HE3 MET A 86 -0.515 -11.086 11.600 1.00 1.00 H new ATOM 864 N ILE A 87 1.141 -12.461 5.586 1.00 1.00 N ATOM 865 CA ILE A 87 0.952 -12.316 4.153 1.00 1.00 C ATOM 866 C ILE A 87 2.281 -12.567 3.439 1.00 1.00 C ATOM 867 O ILE A 87 3.262 -11.848 3.614 1.00 1.00 O ATOM 868 CB ILE A 87 0.327 -10.957 3.830 1.00 1.00 C ATOM 869 CG1 ILE A 87 -0.904 -10.698 4.700 1.00 1.00 C ATOM 870 CG2 ILE A 87 0.010 -10.840 2.337 1.00 1.00 C ATOM 871 CD1 ILE A 87 -1.910 -9.802 3.974 1.00 1.00 C ATOM 0 H ILE A 87 1.769 -11.775 6.005 1.00 1.00 H new ATOM 0 HA ILE A 87 0.247 -13.061 3.785 1.00 1.00 H new ATOM 0 HB ILE A 87 1.056 -10.181 4.066 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.376 -11.645 4.959 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.600 -10.227 5.635 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.433 -9.865 2.134 1.00 1.00 H new ATOM 0 HG22 ILE A 87 0.929 -10.948 1.760 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.692 -11.624 2.051 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.776 -9.634 4.615 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.442 -8.846 3.738 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.230 -10.287 3.052 1.00 1.00 H new ATOM 883 N PRO A 88 2.291 -13.621 2.619 1.00 1.00 N ATOM 884 CA PRO A 88 3.439 -14.040 1.844 1.00 1.00 C ATOM 885 C PRO A 88 3.668 -13.062 0.701 1.00 1.00 C ATOM 886 O PRO A 88 2.716 -12.595 0.080 1.00 1.00 O ATOM 887 CB PRO A 88 3.069 -15.424 1.314 1.00 1.00 C ATOM 888 CG PRO A 88 1.592 -15.417 1.259 1.00 1.00 C ATOM 889 CD PRO A 88 1.156 -14.488 2.390 1.00 1.00 C ATOM 0 HA PRO A 88 4.359 -14.067 2.429 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.502 -15.601 0.329 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.438 -16.212 1.970 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.235 -15.057 0.294 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.188 -16.420 1.395 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.271 -13.915 2.112 1.00 1.00 H new ATOM 0 HD3 PRO A 88 0.902 -15.051 3.288 1.00 1.00 H new ATOM 897 N PRO A 89 4.937 -12.751 0.425 1.00 1.00 N ATOM 898 CA PRO A 89 5.344 -11.841 -0.624 1.00 1.00 C ATOM 899 C PRO A 89 4.500 -12.085 -1.868 1.00 1.00 C ATOM 900 O PRO A 89 4.018 -11.119 -2.457 1.00 1.00 O ATOM 901 CB PRO A 89 6.811 -12.175 -0.885 1.00 1.00 C ATOM 902 CG PRO A 89 7.296 -12.714 0.403 1.00 1.00 C ATOM 903 CD PRO A 89 6.081 -13.281 1.134 1.00 1.00 C ATOM 0 HA PRO A 89 5.214 -10.794 -0.351 1.00 1.00 H new ATOM 0 HB2 PRO A 89 6.916 -12.905 -1.687 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.374 -11.290 -1.184 1.00 1.00 H new ATOM 0 HG2 PRO A 89 8.044 -13.489 0.240 1.00 1.00 H new ATOM 0 HG3 PRO A 89 7.772 -11.931 0.994 1.00 1.00 H new ATOM 0 HD2 PRO A 89 6.084 -14.371 1.119 1.00 1.00 H new ATOM 0 HD3 PRO A 89 6.072 -12.977 2.181 1.00 1.00 H new ATOM 911 N ALA A 90 4.341 -13.347 -2.239 1.00 1.00 N ATOM 912 CA ALA A 90 3.555 -13.688 -3.412 1.00 1.00 C ATOM 913 C ALA A 90 2.139 -13.132 -3.252 1.00 1.00 C ATOM 914 O ALA A 90 1.567 -12.597 -4.201 1.00 1.00 O ATOM 915 CB ALA A 90 3.567 -15.205 -3.612 1.00 1.00 C ATOM 0 H ALA A 90 4.743 -14.145 -1.748 1.00 1.00 H new ATOM 0 HA ALA A 90 3.986 -13.238 -4.306 1.00 1.00 H new ATOM 0 HB1 ALA A 90 2.977 -15.461 -4.492 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.593 -15.546 -3.751 1.00 1.00 H new ATOM 0 HB3 ALA A 90 3.139 -15.691 -2.735 1.00 1.00 H new ATOM 921 N ASP A 91 1.614 -13.277 -2.044 1.00 1.00 N ATOM 922 CA ASP A 91 0.275 -12.795 -1.747 1.00 1.00 C ATOM 923 C ASP A 91 0.282 -11.266 -1.725 1.00 1.00 C ATOM 924 O ASP A 91 -0.775 -10.638 -1.687 1.00 1.00 O ATOM 925 CB ASP A 91 -0.195 -13.286 -0.376 1.00 1.00 C ATOM 926 CG ASP A 91 -0.640 -14.749 -0.331 1.00 1.00 C ATOM 927 OD1 ASP A 91 0.007 -15.632 -0.914 1.00 1.00 O ATOM 928 OD2 ASP A 91 -1.714 -14.972 0.347 1.00 1.00 O ATOM 0 H ASP A 91 2.091 -13.721 -1.260 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.399 -13.173 -2.516 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.614 -13.146 0.340 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -1.024 -12.659 -0.047 1.00 1.00 H new ATOM 934 N ALA A 92 1.484 -10.710 -1.749 1.00 1.00 N ATOM 935 CA ALA A 92 1.641 -9.266 -1.732 1.00 1.00 C ATOM 936 C ALA A 92 1.508 -8.726 -3.158 1.00 1.00 C ATOM 937 O ALA A 92 0.923 -7.665 -3.371 1.00 1.00 O ATOM 938 CB ALA A 92 2.986 -8.906 -1.096 1.00 1.00 C ATOM 0 H ALA A 92 2.359 -11.234 -1.780 1.00 1.00 H new ATOM 0 HA ALA A 92 0.860 -8.802 -1.129 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.104 -7.822 -1.083 1.00 1.00 H new ATOM 0 HB2 ALA A 92 3.019 -9.287 -0.075 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.794 -9.352 -1.676 1.00 1.00 H new ATOM 944 N LEU A 93 2.061 -9.480 -4.096 1.00 1.00 N ATOM 945 CA LEU A 93 2.011 -9.090 -5.495 1.00 1.00 C ATOM 946 C LEU A 93 0.551 -9.007 -5.945 1.00 1.00 C ATOM 947 O LEU A 93 0.252 -8.434 -6.992 1.00 1.00 O ATOM 948 CB LEU A 93 2.863 -10.035 -6.345 1.00 1.00 C ATOM 949 CG LEU A 93 4.378 -9.922 -6.160 1.00 1.00 C ATOM 950 CD1 LEU A 93 5.095 -11.135 -6.756 1.00 1.00 C ATOM 951 CD2 LEU A 93 4.903 -8.605 -6.736 1.00 1.00 C ATOM 0 H LEU A 93 2.546 -10.359 -3.915 1.00 1.00 H new ATOM 0 HA LEU A 93 2.444 -8.099 -5.630 1.00 1.00 H new ATOM 0 HB2 LEU A 93 2.565 -11.060 -6.123 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.631 -9.856 -7.395 1.00 1.00 H new ATOM 0 HG LEU A 93 4.593 -9.915 -5.091 1.00 1.00 H new ATOM 0 HD11 LEU A 93 6.170 -11.030 -6.611 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.749 -12.042 -6.260 1.00 1.00 H new ATOM 0 HD13 LEU A 93 4.877 -11.199 -7.822 1.00 1.00 H new ATOM 0 HD21 LEU A 93 5.982 -8.549 -6.592 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.676 -8.558 -7.801 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.425 -7.769 -6.226 1.00 1.00 H new ATOM 963 N LYS A 94 -0.320 -9.585 -5.131 1.00 1.00 N ATOM 964 CA LYS A 94 -1.741 -9.583 -5.432 1.00 1.00 C ATOM 965 C LYS A 94 -2.373 -8.302 -4.884 1.00 1.00 C ATOM 966 O LYS A 94 -3.377 -7.826 -5.410 1.00 1.00 O ATOM 967 CB LYS A 94 -2.401 -10.864 -4.916 1.00 1.00 C ATOM 968 CG LYS A 94 -3.920 -10.804 -5.082 1.00 1.00 C ATOM 969 CD LYS A 94 -4.627 -10.988 -3.737 1.00 1.00 C ATOM 970 CE LYS A 94 -5.306 -12.357 -3.658 1.00 1.00 C ATOM 971 NZ LYS A 94 -6.730 -12.253 -4.048 1.00 1.00 N ATOM 0 H LYS A 94 -0.069 -10.058 -4.263 1.00 1.00 H new ATOM 0 HA LYS A 94 -1.901 -9.582 -6.510 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -2.006 -11.724 -5.457 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -2.152 -11.007 -3.865 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -4.204 -9.846 -5.518 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -4.244 -11.579 -5.776 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -3.905 -10.888 -2.926 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -5.369 -10.201 -3.602 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -4.794 -13.062 -4.313 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -5.228 -12.750 -2.644 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -7.086 -13.192 -4.317 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -7.284 -11.890 -3.246 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -6.822 -11.604 -4.855 1.00 1.00 H new ATOM 984 N ILE A 95 -1.758 -7.781 -3.832 1.00 1.00 N ATOM 985 CA ILE A 95 -2.247 -6.564 -3.206 1.00 1.00 C ATOM 986 C ILE A 95 -1.924 -5.368 -4.105 1.00 1.00 C ATOM 987 O ILE A 95 -2.769 -4.499 -4.315 1.00 1.00 O ATOM 988 CB ILE A 95 -1.694 -6.432 -1.786 1.00 1.00 C ATOM 989 CG1 ILE A 95 -1.879 -7.734 -1.003 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.316 -5.235 -1.064 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.349 -7.950 -0.639 1.00 1.00 C ATOM 0 H ILE A 95 -0.926 -8.179 -3.398 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.331 -6.600 -3.099 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.622 -6.246 -1.852 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.521 -8.574 -1.598 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.276 -7.706 -0.095 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -1.906 -5.164 -0.057 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -2.090 -4.321 -1.613 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.397 -5.366 -1.007 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.453 -8.882 -0.083 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.697 -7.120 -0.024 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -3.945 -8.002 -1.550 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.700 -5.362 -4.611 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.256 -4.288 -5.483 1.00 1.00 C ATOM 1005 C GLY A 96 -1.285 -4.012 -6.581 1.00 1.00 C ATOM 1006 O GLY A 96 -1.363 -2.898 -7.097 1.00 1.00 O ATOM 0 H GLY A 96 -0.002 -6.084 -4.434 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.092 -3.383 -4.897 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.700 -4.553 -5.934 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.047 -5.045 -6.907 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.067 -4.928 -7.935 1.00 1.00 C ATOM 1012 C GLU A 97 -4.176 -3.979 -7.476 1.00 1.00 C ATOM 1013 O GLU A 97 -4.564 -3.043 -8.172 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.637 -6.300 -8.301 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.526 -7.348 -8.392 1.00 1.00 C ATOM 1016 CD GLU A 97 -3.005 -8.590 -9.148 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -3.306 -8.507 -10.348 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -3.058 -9.669 -8.444 1.00 1.00 O ATOM 0 H GLU A 97 -1.979 -5.968 -6.477 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.606 -4.512 -8.831 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.369 -6.605 -7.553 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.162 -6.237 -9.254 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -1.659 -6.922 -8.897 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.204 -7.630 -7.390 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.684 -4.245 -6.271 1.00 1.00 N ATOM 1027 CA TYR A 98 -5.742 -3.440 -5.694 1.00 1.00 C ATOM 1028 C TYR A 98 -5.381 -1.965 -5.794 1.00 1.00 C ATOM 1029 O TYR A 98 -6.287 -1.133 -5.839 1.00 1.00 O ATOM 1030 CB TYR A 98 -5.954 -3.848 -4.239 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.146 -3.183 -3.594 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -6.957 -2.249 -2.568 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -8.441 -3.501 -4.021 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -8.062 -1.632 -1.970 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -9.546 -2.884 -3.423 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.357 -1.949 -2.398 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.434 -1.348 -1.815 1.00 1.00 O ATOM 0 H TYR A 98 -4.373 -5.016 -5.680 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.670 -3.604 -6.242 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.080 -4.930 -4.188 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.059 -3.604 -3.667 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -5.958 -2.005 -2.238 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -8.587 -4.222 -4.812 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -7.916 -0.912 -1.179 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -10.545 -3.129 -3.752 1.00 1.00 H new ATOM 0 HH TYR A 98 -11.258 -1.679 -2.230 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.090 -1.671 -5.826 1.00 1.00 N ATOM 1048 CA VAL A 99 -3.638 -0.293 -5.920 1.00 1.00 C ATOM 1049 C VAL A 99 -3.412 0.065 -7.390 1.00 1.00 C ATOM 1050 O VAL A 99 -2.567 0.902 -7.706 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.391 -0.091 -5.057 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -1.798 1.304 -5.269 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -2.702 -0.335 -3.579 1.00 1.00 C ATOM 0 H VAL A 99 -3.342 -2.364 -5.789 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.398 0.386 -5.533 1.00 1.00 H new ATOM 0 HB VAL A 99 -1.646 -0.823 -5.368 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -0.913 1.422 -4.644 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.522 1.427 -6.316 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -2.537 2.058 -4.998 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -1.799 -0.185 -2.988 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -3.472 0.363 -3.249 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.057 -1.357 -3.446 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.182 -0.586 -8.250 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.076 -0.346 -9.679 1.00 1.00 C ATOM 1065 C VAL A 100 -5.472 -0.384 -10.303 1.00 1.00 C ATOM 1066 O VAL A 100 -5.610 -0.503 -11.519 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.112 -1.354 -10.309 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -3.161 -1.278 -11.836 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -1.687 -1.145 -9.794 1.00 1.00 C ATOM 0 H VAL A 100 -4.882 -1.279 -7.985 1.00 1.00 H new ATOM 0 HA VAL A 100 -3.661 0.644 -9.870 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.431 -2.353 -10.013 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.467 -2.004 -12.259 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -4.172 -1.499 -12.179 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -2.879 -0.276 -12.160 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -1.022 -1.874 -10.257 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.353 -0.138 -10.045 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -1.669 -1.274 -8.712 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.474 -0.280 -9.441 1.00 1.00 N ATOM 1080 CA ALA A 101 -7.855 -0.300 -9.893 1.00 1.00 C ATOM 1081 C ALA A 101 -8.617 0.856 -9.242 1.00 1.00 C ATOM 1082 O ALA A 101 -9.715 0.665 -8.721 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.476 -1.661 -9.573 1.00 1.00 C ATOM 0 H ALA A 101 -6.357 -0.182 -8.433 1.00 1.00 H new ATOM 0 HA ALA A 101 -7.908 -0.163 -10.973 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.512 -1.677 -9.912 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -7.916 -2.445 -10.082 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.443 -1.832 -8.497 1.00 1.00 H new ATOM 1089 N SER A 102 -8.004 2.030 -9.293 1.00 1.00 N ATOM 1090 CA SER A 102 -8.611 3.216 -8.715 1.00 1.00 C ATOM 1091 C SER A 102 -7.722 4.435 -8.969 1.00 1.00 C ATOM 1092 O SER A 102 -8.222 5.529 -9.229 1.00 1.00 O ATOM 1093 CB SER A 102 -8.850 3.038 -7.214 1.00 1.00 C ATOM 1094 OG SER A 102 -10.237 2.945 -6.902 1.00 1.00 O ATOM 0 H SER A 102 -7.093 2.185 -9.726 1.00 1.00 H new ATOM 0 HA SER A 102 -9.578 3.372 -9.193 1.00 1.00 H new ATOM 0 HB2 SER A 102 -8.340 2.138 -6.870 1.00 1.00 H new ATOM 0 HB3 SER A 102 -8.413 3.878 -6.675 1.00 1.00 H new ATOM 0 HG SER A 102 -10.629 2.183 -7.377 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.420 4.206 -8.887 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.457 5.272 -9.105 1.00 1.00 C ATOM 1102 C PHE A 103 -4.060 4.704 -9.364 1.00 1.00 C ATOM 1103 O PHE A 103 -3.181 4.716 -8.504 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.424 6.113 -7.827 1.00 1.00 C ATOM 1105 CG PHE A 103 -5.788 5.336 -6.561 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.183 4.147 -6.295 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -6.716 5.834 -5.701 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.521 3.426 -5.120 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.054 5.113 -4.525 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.449 3.924 -4.260 1.00 1.00 C ATOM 0 H PHE A 103 -6.009 3.297 -8.672 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.746 5.863 -9.974 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.426 6.535 -7.708 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -6.113 6.950 -7.938 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.446 3.752 -6.978 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.196 6.778 -5.912 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.041 2.482 -4.909 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -7.791 5.509 -3.842 1.00 1.00 H new ATOM 0 HZ PHE A 103 -6.706 3.375 -3.366 1.00 1.00 H new ATOM 1120 N PRO A 104 -3.873 4.200 -10.586 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.632 3.615 -11.046 1.00 1.00 C ATOM 1122 C PRO A 104 -1.713 4.711 -11.566 1.00 1.00 C ATOM 1123 O PRO A 104 -2.154 5.606 -12.283 1.00 1.00 O ATOM 1124 CB PRO A 104 -3.040 2.664 -12.169 1.00 1.00 C ATOM 1125 CG PRO A 104 -4.304 3.274 -12.712 1.00 1.00 C ATOM 1126 CD PRO A 104 -4.884 4.171 -11.620 1.00 1.00 C ATOM 0 HA PRO A 104 -2.090 3.093 -10.257 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.268 2.595 -12.935 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -3.211 1.654 -11.796 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -4.095 3.852 -13.613 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -5.017 2.497 -12.989 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -5.090 5.172 -11.999 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -5.826 3.774 -11.241 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.522 2.538 4.214 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.943 5.308 2.732 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.368 1.049 0.972 1.00 1.00 C HETATM 1138 CHC HEC A 201 -0.941 -0.324 5.458 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.303 4.105 7.157 1.00 1.00 C HETATM 1140 NA HEC A 201 1.067 3.053 2.249 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.601 4.273 1.869 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.758 4.326 0.435 1.00 1.00 C HETATM 1143 C3A HEC A 201 1.322 3.147 -0.056 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.891 2.351 1.069 1.00 1.00 C HETATM 1145 CMA HEC A 201 1.275 2.703 -1.489 1.00 1.00 C HETATM 1146 CAA HEC A 201 2.307 5.497 -0.326 1.00 1.00 C HETATM 1147 CBA HEC A 201 1.331 6.662 -0.463 1.00 1.00 C HETATM 1148 CGA HEC A 201 0.766 7.065 0.891 1.00 1.00 C HETATM 1149 O1A HEC A 201 -0.295 6.511 1.251 1.00 1.00 O HETATM 1150 O2A HEC A 201 1.405 7.921 1.541 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.151 0.738 3.364 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.119 0.312 2.047 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.666 -1.019 1.937 1.00 1.00 C HETATM 1154 C3B HEC A 201 -1.030 -1.403 3.179 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.711 -0.312 4.070 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.788 -1.795 0.658 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.650 -2.703 3.600 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.888 -3.937 3.124 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.111 1.970 5.971 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.732 0.791 6.345 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.213 0.886 7.703 1.00 1.00 C HETATM 1162 C3C HEC A 201 -0.886 2.115 8.154 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.200 2.794 7.080 1.00 1.00 C HETATM 1164 CMC HEC A 201 -1.936 -0.206 8.436 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.163 2.707 9.506 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.745 1.814 10.671 1.00 1.00 C HETATM 1167 ND HEC A 201 0.952 4.349 4.790 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.914 4.779 6.105 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.604 6.041 6.240 1.00 1.00 C HETATM 1170 C3D HEC A 201 2.060 6.377 5.015 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.657 5.327 4.109 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.760 6.800 7.525 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.840 7.597 4.623 1.00 1.00 C HETATM 1174 CBD HEC A 201 4.335 7.497 4.911 1.00 1.00 C HETATM 1175 CGD HEC A 201 4.777 8.568 5.898 1.00 1.00 C HETATM 1176 O1D HEC A 201 5.368 9.564 5.428 1.00 1.00 O HETATM 1177 O2D HEC A 201 4.515 8.370 7.104 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.776 7.051 7.921 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.296 6.185 8.248 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 2.322 7.716 7.341 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.852 -0.458 7.902 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.298 -1.088 8.497 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.183 0.133 9.442 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.419 -1.247 -0.041 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.201 -1.935 0.221 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.234 -2.768 0.864 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.641 3.382 -2.060 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 2.282 2.711 -1.906 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.867 1.694 -1.544 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.566 6.510 5.313 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.895 7.601 3.982 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.285 0.869 10.617 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.327 1.623 10.617 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -0.978 2.311 11.613 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.844 -3.940 2.035 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.124 -3.918 3.528 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.399 -4.836 3.469 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 1.838 7.514 -0.917 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 0.517 6.382 -1.131 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.697 7.780 3.558 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.435 8.460 5.152 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 3.210 5.850 0.172 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 2.602 5.164 -1.321 1.00 1.00 H new HETATM 0 HHD HEC A 201 0.207 4.630 8.108 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.307 -1.252 5.897 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.342 0.585 -0.014 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.470 6.165 2.312 1.00 1.00 H new HETATM 0 H2D HEC A 201 3.679 8.826 7.336 1.00 1.00 H new HETATM 0 H2A HEC A 201 0.869 8.218 2.306 1.00 1.00 H new