USER MOD reduce.3.24.130724 H: found=0, std=0, add=984, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 982 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 HIS : no HD1:sc= 0.00934 K(o=0.0062,f=-0.96) USER MOD Set 1.2: A 83 LYS NZ :NH3+ -118:sc=-0.00313 (180deg=0) USER MOD Set 2.1: A 46 LYS NZ :NH3+ -112:sc= -0.197 (180deg=-5.17!) USER MOD Set 2.2: A 90 TYR OH : rot 23:sc= 1.22 USER MOD Set 3.1: A 39 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.021) USER MOD Set 3.2: A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.00661 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.435 X(o=-0.43,f=-0.57) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.636 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -150:sc= -0.0393 (180deg=-1.41!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= -0.0642 (180deg=-0.444) USER MOD Single : A 61 GLN : amide:sc=-0.00182 X(o=-0.0018,f=-0.46) USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= 1.24 (180deg=-0.46) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.213 K(o=-0.21,f=-2.2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 30:sc= -0.775 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00266 USER MOD Single : A 77 MET CE :methyl 162:sc= -0.57 (180deg=-0.862) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.0418 K(o=-0.042,f=-1.5!) USER MOD Single : A 89 ASN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 92 CYS SG : rot 180:sc= -0.229 USER MOD Single : A 95 THR OG1 : rot -51:sc= 0.0591 USER MOD Single : A 96 TYR OH : rot 22:sc= 0.267 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -128:sc= -0.0147 (180deg=-0.164) USER MOD Single : A 102 SER OG : rot 180:sc= 0.00039 USER MOD Single : A 103 CYS SG : rot -150:sc= 0.156 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -2.09 X(o=-2.1,f=-2.5!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -2.49! C(o=-2.5!,f=-3.7!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.107 24.200 17.736 1.00 0.00 N ATOM 2 CA GLY A 1 15.244 23.368 16.918 1.00 0.00 C ATOM 3 C GLY A 1 15.598 21.897 17.014 1.00 0.00 C ATOM 4 O GLY A 1 16.774 21.534 17.031 1.00 0.00 O ATOM 0 H1 GLY A 1 16.405 25.033 17.190 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.590 24.509 18.584 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.945 23.655 18.022 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.208 23.510 17.226 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.314 23.689 15.879 1.00 0.00 H new ATOM 8 N SER A 2 14.577 21.047 17.078 1.00 0.00 N ATOM 9 CA SER A 2 14.786 19.608 17.179 1.00 0.00 C ATOM 10 C SER A 2 15.370 19.052 15.884 1.00 0.00 C ATOM 11 O SER A 2 15.246 19.662 14.822 1.00 0.00 O ATOM 12 CB SER A 2 13.468 18.901 17.501 1.00 0.00 C ATOM 13 OG SER A 2 13.119 19.069 18.865 1.00 0.00 O ATOM 0 H SER A 2 13.597 21.331 17.062 1.00 0.00 H new ATOM 0 HA SER A 2 15.495 19.425 17.986 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.675 19.298 16.868 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.556 17.839 17.273 1.00 0.00 H new ATOM 0 HG SER A 2 12.272 18.609 19.045 1.00 0.00 H new ATOM 19 N SER A 3 16.008 17.890 15.981 1.00 0.00 N ATOM 20 CA SER A 3 16.616 17.252 14.818 1.00 0.00 C ATOM 21 C SER A 3 15.605 16.371 14.091 1.00 0.00 C ATOM 22 O SER A 3 14.730 15.768 14.712 1.00 0.00 O ATOM 23 CB SER A 3 17.825 16.417 15.243 1.00 0.00 C ATOM 24 OG SER A 3 18.998 17.210 15.300 1.00 0.00 O ATOM 0 H SER A 3 16.118 17.371 16.852 1.00 0.00 H new ATOM 0 HA SER A 3 16.946 18.035 14.135 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.637 15.970 16.219 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.970 15.597 14.539 1.00 0.00 H new ATOM 0 HG SER A 3 19.756 16.653 15.576 1.00 0.00 H new ATOM 30 N GLY A 4 15.732 16.302 12.770 1.00 0.00 N ATOM 31 CA GLY A 4 14.823 15.493 11.978 1.00 0.00 C ATOM 32 C GLY A 4 15.525 14.777 10.842 1.00 0.00 C ATOM 33 O GLY A 4 15.468 15.216 9.693 1.00 0.00 O ATOM 0 H GLY A 4 16.448 16.792 12.233 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.339 14.759 12.622 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.036 16.128 11.572 1.00 0.00 H new ATOM 37 N SER A 5 16.190 13.671 11.161 1.00 0.00 N ATOM 38 CA SER A 5 16.911 12.896 10.159 1.00 0.00 C ATOM 39 C SER A 5 16.850 11.405 10.478 1.00 0.00 C ATOM 40 O SER A 5 16.935 11.003 11.638 1.00 0.00 O ATOM 41 CB SER A 5 18.369 13.353 10.081 1.00 0.00 C ATOM 42 OG SER A 5 19.071 12.650 9.070 1.00 0.00 O ATOM 0 H SER A 5 16.244 13.292 12.106 1.00 0.00 H new ATOM 0 HA SER A 5 16.433 13.063 9.194 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.407 14.423 9.878 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.855 13.194 11.043 1.00 0.00 H new ATOM 0 HG SER A 5 20.000 12.962 9.039 1.00 0.00 H new ATOM 48 N SER A 6 16.701 10.590 9.438 1.00 0.00 N ATOM 49 CA SER A 6 16.624 9.143 9.606 1.00 0.00 C ATOM 50 C SER A 6 16.612 8.439 8.253 1.00 0.00 C ATOM 51 O SER A 6 16.125 8.982 7.262 1.00 0.00 O ATOM 52 CB SER A 6 15.372 8.767 10.401 1.00 0.00 C ATOM 53 OG SER A 6 14.200 9.241 9.760 1.00 0.00 O ATOM 0 H SER A 6 16.631 10.907 8.471 1.00 0.00 H new ATOM 0 HA SER A 6 17.507 8.818 10.157 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.318 7.684 10.510 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.436 9.186 11.405 1.00 0.00 H new ATOM 0 HG SER A 6 13.414 8.987 10.286 1.00 0.00 H new ATOM 59 N GLY A 7 17.154 7.225 8.220 1.00 0.00 N ATOM 60 CA GLY A 7 17.196 6.465 6.984 1.00 0.00 C ATOM 61 C GLY A 7 15.835 6.348 6.329 1.00 0.00 C ATOM 62 O GLY A 7 14.806 6.398 7.005 1.00 0.00 O ATOM 0 H GLY A 7 17.564 6.755 9.027 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.889 6.942 6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.585 5.467 7.188 1.00 0.00 H new ATOM 66 N ILE A 8 15.827 6.194 5.009 1.00 0.00 N ATOM 67 CA ILE A 8 14.581 6.071 4.262 1.00 0.00 C ATOM 68 C ILE A 8 14.513 4.739 3.522 1.00 0.00 C ATOM 69 O ILE A 8 15.362 4.441 2.680 1.00 0.00 O ATOM 70 CB ILE A 8 14.416 7.218 3.248 1.00 0.00 C ATOM 71 CG1 ILE A 8 14.577 8.571 3.945 1.00 0.00 C ATOM 72 CG2 ILE A 8 13.062 7.127 2.561 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.005 9.067 3.980 1.00 0.00 C ATOM 0 H ILE A 8 16.669 6.151 4.435 1.00 0.00 H new ATOM 0 HA ILE A 8 13.771 6.122 4.990 1.00 0.00 H new ATOM 0 HB ILE A 8 15.193 7.127 2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 8 13.957 9.309 3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 8 14.204 8.491 4.966 1.00 0.00 H new ATOM 0 HG21 ILE A 8 12.960 7.945 1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 8 12.984 6.175 2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 8 12.270 7.196 3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.043 10.030 4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 8 16.626 8.349 4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 8 16.376 9.180 2.961 1.00 0.00 H new ATOM 85 N LEU A 9 13.498 3.943 3.839 1.00 0.00 N ATOM 86 CA LEU A 9 13.318 2.643 3.203 1.00 0.00 C ATOM 87 C LEU A 9 12.224 2.704 2.141 1.00 0.00 C ATOM 88 O LEU A 9 12.357 2.122 1.064 1.00 0.00 O ATOM 89 CB LEU A 9 12.969 1.584 4.250 1.00 0.00 C ATOM 90 CG LEU A 9 14.154 0.870 4.902 1.00 0.00 C ATOM 91 CD1 LEU A 9 15.007 0.180 3.849 1.00 0.00 C ATOM 92 CD2 LEU A 9 14.990 1.852 5.710 1.00 0.00 C ATOM 0 H LEU A 9 12.787 4.175 4.533 1.00 0.00 H new ATOM 0 HA LEU A 9 14.256 2.370 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 9 12.379 2.058 5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 9 12.332 0.834 3.781 1.00 0.00 H new ATOM 0 HG LEU A 9 13.767 0.110 5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 9 15.845 -0.322 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 9 14.403 -0.553 3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 9 15.385 0.921 3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.829 1.326 6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 9 15.367 2.635 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.374 2.299 6.490 1.00 0.00 H new ATOM 104 N PHE A 10 11.144 3.413 2.451 1.00 0.00 N ATOM 105 CA PHE A 10 10.028 3.551 1.523 1.00 0.00 C ATOM 106 C PHE A 10 10.198 4.790 0.648 1.00 0.00 C ATOM 107 O PHE A 10 9.570 5.822 0.886 1.00 0.00 O ATOM 108 CB PHE A 10 8.707 3.633 2.291 1.00 0.00 C ATOM 109 CG PHE A 10 7.579 2.901 1.622 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.762 1.617 1.132 1.00 0.00 C ATOM 111 CD2 PHE A 10 6.335 3.495 1.483 1.00 0.00 C ATOM 112 CE1 PHE A 10 6.726 0.942 0.515 1.00 0.00 C ATOM 113 CE2 PHE A 10 5.295 2.824 0.867 1.00 0.00 C ATOM 114 CZ PHE A 10 5.491 1.545 0.384 1.00 0.00 C ATOM 0 H PHE A 10 11.018 3.901 3.338 1.00 0.00 H new ATOM 0 HA PHE A 10 10.013 2.672 0.879 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.852 3.225 3.291 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.430 4.680 2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 10 8.725 1.139 1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.176 4.494 1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.882 -0.057 0.135 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.331 3.299 0.764 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.680 1.018 -0.095 1.00 0.00 H new ATOM 124 N ILE A 11 11.052 4.679 -0.364 1.00 0.00 N ATOM 125 CA ILE A 11 11.304 5.788 -1.275 1.00 0.00 C ATOM 126 C ILE A 11 10.001 6.443 -1.718 1.00 0.00 C ATOM 127 O ILE A 11 9.900 7.668 -1.779 1.00 0.00 O ATOM 128 CB ILE A 11 12.084 5.328 -2.520 1.00 0.00 C ATOM 129 CG1 ILE A 11 12.467 6.532 -3.383 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.259 4.334 -3.324 1.00 0.00 C ATOM 131 CD1 ILE A 11 13.815 7.122 -3.033 1.00 0.00 C ATOM 0 H ILE A 11 11.581 3.832 -0.573 1.00 0.00 H new ATOM 0 HA ILE A 11 11.905 6.515 -0.728 1.00 0.00 H new ATOM 0 HB ILE A 11 12.999 4.833 -2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.472 6.231 -4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.703 7.303 -3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.824 4.018 -4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 11 11.032 3.465 -2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.329 4.806 -3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.021 7.971 -3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.808 7.454 -1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.589 6.366 -3.167 1.00 0.00 H new ATOM 143 N GLU A 12 9.005 5.617 -2.026 1.00 0.00 N ATOM 144 CA GLU A 12 7.707 6.117 -2.463 1.00 0.00 C ATOM 145 C GLU A 12 6.620 5.766 -1.451 1.00 0.00 C ATOM 146 O GLU A 12 6.774 4.843 -0.651 1.00 0.00 O ATOM 147 CB GLU A 12 7.348 5.540 -3.834 1.00 0.00 C ATOM 148 CG GLU A 12 6.492 6.467 -4.680 1.00 0.00 C ATOM 149 CD GLU A 12 7.307 7.538 -5.379 1.00 0.00 C ATOM 150 OE1 GLU A 12 8.530 7.342 -5.538 1.00 0.00 O ATOM 151 OE2 GLU A 12 6.722 8.571 -5.767 1.00 0.00 O ATOM 0 H GLU A 12 9.073 4.600 -1.981 1.00 0.00 H new ATOM 0 HA GLU A 12 7.772 7.202 -2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.267 5.313 -4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.819 4.597 -3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.955 5.880 -5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.742 6.942 -4.047 1.00 0.00 H new ATOM 158 N LYS A 13 5.520 6.510 -1.492 1.00 0.00 N ATOM 159 CA LYS A 13 4.405 6.280 -0.580 1.00 0.00 C ATOM 160 C LYS A 13 3.071 6.438 -1.302 1.00 0.00 C ATOM 161 O LYS A 13 2.830 7.420 -2.005 1.00 0.00 O ATOM 162 CB LYS A 13 4.477 7.249 0.601 1.00 0.00 C ATOM 163 CG LYS A 13 5.807 7.218 1.334 1.00 0.00 C ATOM 164 CD LYS A 13 6.096 8.542 2.022 1.00 0.00 C ATOM 165 CE LYS A 13 6.856 9.491 1.109 1.00 0.00 C ATOM 166 NZ LYS A 13 7.466 10.619 1.866 1.00 0.00 N ATOM 0 H LYS A 13 5.376 7.278 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 13 4.477 5.258 -0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.294 8.261 0.241 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.679 7.011 1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.797 6.417 2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.607 6.991 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.159 9.005 2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.676 8.364 2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.637 8.942 0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.179 9.886 0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.975 11.243 1.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.718 11.159 2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.131 10.244 2.572 1.00 0.00 H new ATOM 180 N PRO A 14 2.180 5.451 -1.124 1.00 0.00 N ATOM 181 CA PRO A 14 0.854 5.460 -1.748 1.00 0.00 C ATOM 182 C PRO A 14 -0.061 6.525 -1.152 1.00 0.00 C ATOM 183 O PRO A 14 -0.443 6.444 0.015 1.00 0.00 O ATOM 184 CB PRO A 14 0.311 4.060 -1.448 1.00 0.00 C ATOM 185 CG PRO A 14 1.031 3.631 -0.216 1.00 0.00 C ATOM 186 CD PRO A 14 2.399 4.251 -0.299 1.00 0.00 C ATOM 0 HA PRO A 14 0.906 5.693 -2.811 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.767 4.079 -1.290 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.500 3.376 -2.276 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.505 3.964 0.679 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.098 2.544 -0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.785 4.507 0.688 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.120 3.574 -0.758 1.00 0.00 H new ATOM 194 N GLN A 15 -0.407 7.521 -1.961 1.00 0.00 N ATOM 195 CA GLN A 15 -1.276 8.602 -1.512 1.00 0.00 C ATOM 196 C GLN A 15 -2.744 8.237 -1.706 1.00 0.00 C ATOM 197 O GLN A 15 -3.592 9.109 -1.889 1.00 0.00 O ATOM 198 CB GLN A 15 -0.955 9.892 -2.269 1.00 0.00 C ATOM 199 CG GLN A 15 0.408 10.474 -1.929 1.00 0.00 C ATOM 200 CD GLN A 15 0.725 10.391 -0.449 1.00 0.00 C ATOM 201 OE1 GLN A 15 -0.042 10.865 0.390 1.00 0.00 O ATOM 202 NE2 GLN A 15 1.860 9.786 -0.119 1.00 0.00 N ATOM 0 H GLN A 15 -0.099 7.602 -2.930 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.097 8.759 -0.448 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.000 9.696 -3.340 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.723 10.634 -2.048 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.176 9.943 -2.492 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.443 11.516 -2.246 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.466 9.407 -0.847 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.126 9.700 0.862 1.00 0.00 H new ATOM 211 N GLY A 16 -3.036 6.940 -1.666 1.00 0.00 N ATOM 212 CA GLY A 16 -4.402 6.482 -1.840 1.00 0.00 C ATOM 213 C GLY A 16 -5.157 7.291 -2.876 1.00 0.00 C ATOM 214 O GLY A 16 -4.554 7.912 -3.750 1.00 0.00 O ATOM 0 H GLY A 16 -2.351 6.199 -1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.395 5.433 -2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.926 6.540 -0.886 1.00 0.00 H new ATOM 218 N GLY A 17 -6.484 7.282 -2.780 1.00 0.00 N ATOM 219 CA GLY A 17 -7.300 8.022 -3.724 1.00 0.00 C ATOM 220 C GLY A 17 -8.778 7.715 -3.578 1.00 0.00 C ATOM 221 O GLY A 17 -9.229 7.288 -2.515 1.00 0.00 O ATOM 0 H GLY A 17 -7.007 6.776 -2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.138 9.090 -3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.981 7.785 -4.739 1.00 0.00 H new ATOM 225 N THR A 18 -9.535 7.934 -4.648 1.00 0.00 N ATOM 226 CA THR A 18 -10.970 7.681 -4.634 1.00 0.00 C ATOM 227 C THR A 18 -11.427 7.032 -5.936 1.00 0.00 C ATOM 228 O THR A 18 -11.343 7.636 -7.005 1.00 0.00 O ATOM 229 CB THR A 18 -11.768 8.980 -4.414 1.00 0.00 C ATOM 230 OG1 THR A 18 -11.176 9.745 -3.357 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.218 8.674 -4.074 1.00 0.00 C ATOM 0 H THR A 18 -9.178 8.286 -5.536 1.00 0.00 H new ATOM 0 HA THR A 18 -11.162 7.000 -3.805 1.00 0.00 H new ATOM 0 HB THR A 18 -11.743 9.557 -5.339 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.688 10.570 -3.224 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.761 9.607 -3.923 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.674 8.117 -4.893 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.260 8.078 -3.162 1.00 0.00 H new ATOM 239 N VAL A 19 -11.912 5.798 -5.838 1.00 0.00 N ATOM 240 CA VAL A 19 -12.384 5.068 -7.008 1.00 0.00 C ATOM 241 C VAL A 19 -13.900 4.904 -6.979 1.00 0.00 C ATOM 242 O VAL A 19 -14.491 4.683 -5.922 1.00 0.00 O ATOM 243 CB VAL A 19 -11.730 3.677 -7.103 1.00 0.00 C ATOM 244 CG1 VAL A 19 -12.099 2.830 -5.895 1.00 0.00 C ATOM 245 CG2 VAL A 19 -12.138 2.984 -8.395 1.00 0.00 C ATOM 0 H VAL A 19 -11.988 5.283 -4.961 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.102 5.655 -7.882 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.647 3.803 -7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.628 1.851 -5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.753 3.322 -4.986 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.181 2.709 -5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.667 2.002 -8.446 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.222 2.868 -8.419 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.818 3.584 -9.247 1.00 0.00 H new ATOM 255 N LYS A 20 -14.524 5.014 -8.147 1.00 0.00 N ATOM 256 CA LYS A 20 -15.971 4.876 -8.257 1.00 0.00 C ATOM 257 C LYS A 20 -16.392 3.417 -8.114 1.00 0.00 C ATOM 258 O LYS A 20 -15.626 2.506 -8.429 1.00 0.00 O ATOM 259 CB LYS A 20 -16.456 5.428 -9.600 1.00 0.00 C ATOM 260 CG LYS A 20 -17.945 5.724 -9.634 1.00 0.00 C ATOM 261 CD LYS A 20 -18.296 6.916 -8.760 1.00 0.00 C ATOM 262 CE LYS A 20 -17.839 8.223 -9.390 1.00 0.00 C ATOM 263 NZ LYS A 20 -18.883 8.808 -10.276 1.00 0.00 N ATOM 0 H LYS A 20 -14.050 5.198 -9.031 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.427 5.448 -7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.907 6.342 -9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.219 4.710 -10.385 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.255 5.921 -10.660 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.499 4.848 -9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.374 6.946 -8.599 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.831 6.800 -7.781 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.588 8.936 -8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.930 8.050 -9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.532 9.697 -10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.105 8.139 -11.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.742 8.997 -9.722 1.00 0.00 H new ATOM 277 N VAL A 21 -17.614 3.202 -7.636 1.00 0.00 N ATOM 278 CA VAL A 21 -18.137 1.853 -7.453 1.00 0.00 C ATOM 279 C VAL A 21 -18.178 1.096 -8.776 1.00 0.00 C ATOM 280 O VAL A 21 -18.849 1.510 -9.720 1.00 0.00 O ATOM 281 CB VAL A 21 -19.551 1.878 -6.844 1.00 0.00 C ATOM 282 CG1 VAL A 21 -20.143 0.477 -6.812 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.519 2.484 -5.449 1.00 0.00 C ATOM 0 H VAL A 21 -18.260 3.945 -7.369 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.463 1.342 -6.766 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.188 2.501 -7.472 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -21.142 0.514 -6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.202 0.084 -7.827 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.509 -0.172 -6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.527 2.494 -5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.868 1.889 -4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -19.139 3.504 -5.504 1.00 0.00 H new ATOM 293 N GLY A 22 -17.454 -0.018 -8.837 1.00 0.00 N ATOM 294 CA GLY A 22 -17.422 -0.817 -10.048 1.00 0.00 C ATOM 295 C GLY A 22 -16.210 -0.517 -10.908 1.00 0.00 C ATOM 296 O GLY A 22 -15.856 -1.302 -11.787 1.00 0.00 O ATOM 0 H GLY A 22 -16.889 -0.381 -8.069 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.423 -1.874 -9.782 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.328 -0.633 -10.625 1.00 0.00 H new ATOM 300 N GLU A 23 -15.574 0.622 -10.654 1.00 0.00 N ATOM 301 CA GLU A 23 -14.396 1.024 -11.415 1.00 0.00 C ATOM 302 C GLU A 23 -13.162 0.252 -10.955 1.00 0.00 C ATOM 303 O GLU A 23 -13.238 -0.576 -10.047 1.00 0.00 O ATOM 304 CB GLU A 23 -14.154 2.527 -11.267 1.00 0.00 C ATOM 305 CG GLU A 23 -14.796 3.358 -12.366 1.00 0.00 C ATOM 306 CD GLU A 23 -16.310 3.356 -12.290 1.00 0.00 C ATOM 307 OE1 GLU A 23 -16.874 2.421 -11.684 1.00 0.00 O ATOM 308 OE2 GLU A 23 -16.932 4.292 -12.836 1.00 0.00 O ATOM 0 H GLU A 23 -15.854 1.282 -9.928 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.578 0.794 -12.465 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.540 2.855 -10.302 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.080 2.715 -11.261 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.434 4.384 -12.299 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.484 2.973 -13.337 1.00 0.00 H new ATOM 315 N ASP A 24 -12.028 0.529 -11.589 1.00 0.00 N ATOM 316 CA ASP A 24 -10.778 -0.138 -11.246 1.00 0.00 C ATOM 317 C ASP A 24 -9.689 0.880 -10.922 1.00 0.00 C ATOM 318 O ASP A 24 -9.421 1.787 -11.710 1.00 0.00 O ATOM 319 CB ASP A 24 -10.324 -1.040 -12.394 1.00 0.00 C ATOM 320 CG ASP A 24 -9.746 -0.254 -13.555 1.00 0.00 C ATOM 321 OD1 ASP A 24 -10.525 0.149 -14.444 1.00 0.00 O ATOM 322 OD2 ASP A 24 -8.516 -0.041 -13.574 1.00 0.00 O ATOM 0 H ASP A 24 -11.949 1.211 -12.343 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.953 -0.750 -10.361 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.576 -1.742 -12.026 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.170 -1.631 -12.745 1.00 0.00 H new ATOM 327 N ILE A 25 -9.068 0.725 -9.758 1.00 0.00 N ATOM 328 CA ILE A 25 -8.009 1.631 -9.330 1.00 0.00 C ATOM 329 C ILE A 25 -6.720 0.871 -9.038 1.00 0.00 C ATOM 330 O ILE A 25 -6.744 -0.321 -8.731 1.00 0.00 O ATOM 331 CB ILE A 25 -8.420 2.424 -8.076 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.275 3.333 -7.623 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.824 1.475 -6.958 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.711 4.425 -6.671 1.00 0.00 C ATOM 0 H ILE A 25 -9.280 -0.020 -9.094 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.839 2.328 -10.151 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.278 3.048 -8.324 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.509 2.726 -7.140 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.815 3.789 -8.500 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.112 2.051 -6.078 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.667 0.866 -7.285 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.983 0.828 -6.709 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.848 5.030 -6.392 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.455 5.056 -7.157 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.144 3.977 -5.777 1.00 0.00 H new ATOM 346 N THR A 26 -5.593 1.570 -9.134 1.00 0.00 N ATOM 347 CA THR A 26 -4.293 0.962 -8.880 1.00 0.00 C ATOM 348 C THR A 26 -3.394 1.900 -8.082 1.00 0.00 C ATOM 349 O THR A 26 -3.337 3.100 -8.352 1.00 0.00 O ATOM 350 CB THR A 26 -3.583 0.584 -10.194 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.527 0.035 -11.120 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.471 -0.422 -9.938 1.00 0.00 C ATOM 0 H THR A 26 -5.555 2.558 -9.386 1.00 0.00 H new ATOM 0 HA THR A 26 -4.475 0.057 -8.301 1.00 0.00 H new ATOM 0 HB THR A 26 -3.143 1.487 -10.617 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.068 -0.201 -11.953 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.984 -0.674 -10.880 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.739 0.010 -9.256 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.892 -1.324 -9.494 1.00 0.00 H new ATOM 360 N PHE A 27 -2.693 1.346 -7.099 1.00 0.00 N ATOM 361 CA PHE A 27 -1.797 2.133 -6.261 1.00 0.00 C ATOM 362 C PHE A 27 -0.338 1.809 -6.570 1.00 0.00 C ATOM 363 O PHE A 27 -0.002 0.674 -6.910 1.00 0.00 O ATOM 364 CB PHE A 27 -2.086 1.872 -4.781 1.00 0.00 C ATOM 365 CG PHE A 27 -3.539 2.002 -4.423 1.00 0.00 C ATOM 366 CD1 PHE A 27 -4.442 1.008 -4.764 1.00 0.00 C ATOM 367 CD2 PHE A 27 -4.002 3.118 -3.745 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.780 1.124 -4.435 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.338 3.240 -3.413 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.228 2.242 -3.760 1.00 0.00 C ATOM 0 H PHE A 27 -2.728 0.354 -6.863 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.971 3.187 -6.478 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.745 0.869 -4.524 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.507 2.571 -4.177 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.097 0.132 -5.293 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.311 3.902 -3.473 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.473 0.341 -4.706 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.686 4.114 -2.883 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.273 2.336 -3.504 1.00 0.00 H new ATOM 380 N ILE A 28 0.523 2.814 -6.450 1.00 0.00 N ATOM 381 CA ILE A 28 1.945 2.636 -6.716 1.00 0.00 C ATOM 382 C ILE A 28 2.760 2.721 -5.430 1.00 0.00 C ATOM 383 O ILE A 28 2.595 3.650 -4.639 1.00 0.00 O ATOM 384 CB ILE A 28 2.468 3.688 -7.712 1.00 0.00 C ATOM 385 CG1 ILE A 28 1.817 3.493 -9.083 1.00 0.00 C ATOM 386 CG2 ILE A 28 3.983 3.607 -7.822 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.124 2.152 -9.711 1.00 0.00 C ATOM 0 H ILE A 28 0.261 3.759 -6.170 1.00 0.00 H new ATOM 0 HA ILE A 28 2.062 1.644 -7.153 1.00 0.00 H new ATOM 0 HB ILE A 28 2.203 4.679 -7.343 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.737 3.599 -8.982 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.154 4.285 -9.752 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.337 4.357 -8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.429 3.791 -6.845 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.270 2.615 -8.171 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.630 2.083 -10.680 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.201 2.051 -9.844 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.762 1.355 -9.062 1.00 0.00 H new ATOM 399 N ALA A 29 3.640 1.747 -5.228 1.00 0.00 N ATOM 400 CA ALA A 29 4.484 1.713 -4.040 1.00 0.00 C ATOM 401 C ALA A 29 5.819 1.038 -4.333 1.00 0.00 C ATOM 402 O ALA A 29 5.874 -0.163 -4.601 1.00 0.00 O ATOM 403 CB ALA A 29 3.767 0.999 -2.903 1.00 0.00 C ATOM 0 H ALA A 29 3.787 0.970 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 29 4.686 2.741 -3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.409 0.981 -2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.843 1.527 -2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.535 -0.023 -3.204 1.00 0.00 H new ATOM 409 N LYS A 30 6.895 1.816 -4.282 1.00 0.00 N ATOM 410 CA LYS A 30 8.231 1.293 -4.541 1.00 0.00 C ATOM 411 C LYS A 30 9.066 1.276 -3.265 1.00 0.00 C ATOM 412 O LYS A 30 8.755 1.972 -2.298 1.00 0.00 O ATOM 413 CB LYS A 30 8.932 2.135 -5.610 1.00 0.00 C ATOM 414 CG LYS A 30 8.418 1.882 -7.017 1.00 0.00 C ATOM 415 CD LYS A 30 8.564 3.114 -7.895 1.00 0.00 C ATOM 416 CE LYS A 30 7.329 3.998 -7.824 1.00 0.00 C ATOM 417 NZ LYS A 30 7.410 5.141 -8.775 1.00 0.00 N ATOM 0 H LYS A 30 6.868 2.812 -4.063 1.00 0.00 H new ATOM 0 HA LYS A 30 8.129 0.269 -4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.805 3.191 -5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.002 1.928 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.966 1.051 -7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.370 1.587 -6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.439 3.684 -7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.735 2.808 -8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.443 3.403 -8.046 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.212 4.378 -6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.550 5.720 -8.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.241 5.723 -8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.496 4.779 -9.746 1.00 0.00 H new ATOM 431 N VAL A 31 10.129 0.478 -3.269 1.00 0.00 N ATOM 432 CA VAL A 31 11.010 0.372 -2.113 1.00 0.00 C ATOM 433 C VAL A 31 12.475 0.373 -2.536 1.00 0.00 C ATOM 434 O VAL A 31 12.861 -0.319 -3.479 1.00 0.00 O ATOM 435 CB VAL A 31 10.722 -0.906 -1.302 1.00 0.00 C ATOM 436 CG1 VAL A 31 11.684 -1.023 -0.129 1.00 0.00 C ATOM 437 CG2 VAL A 31 9.279 -0.918 -0.822 1.00 0.00 C ATOM 0 H VAL A 31 10.401 -0.105 -4.061 1.00 0.00 H new ATOM 0 HA VAL A 31 10.815 1.242 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 31 10.872 -1.769 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.465 -1.932 0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.708 -1.064 -0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.569 -0.157 0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.093 -1.828 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.099 -0.049 -0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.609 -0.886 -1.681 1.00 0.00 H new ATOM 447 N LYS A 32 13.288 1.154 -1.832 1.00 0.00 N ATOM 448 CA LYS A 32 14.712 1.244 -2.133 1.00 0.00 C ATOM 449 C LYS A 32 15.456 0.016 -1.619 1.00 0.00 C ATOM 450 O LYS A 32 15.533 -0.215 -0.413 1.00 0.00 O ATOM 451 CB LYS A 32 15.306 2.510 -1.510 1.00 0.00 C ATOM 452 CG LYS A 32 16.607 2.953 -2.156 1.00 0.00 C ATOM 453 CD LYS A 32 16.358 3.720 -3.444 1.00 0.00 C ATOM 454 CE LYS A 32 17.502 3.541 -4.430 1.00 0.00 C ATOM 455 NZ LYS A 32 17.576 4.665 -5.404 1.00 0.00 N ATOM 0 H LYS A 32 12.985 1.734 -1.049 1.00 0.00 H new ATOM 0 HA LYS A 32 14.827 1.290 -3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.579 3.318 -1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.478 2.336 -0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.165 3.580 -1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.226 2.080 -2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.428 3.378 -3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.232 4.779 -3.219 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.443 3.470 -3.885 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.374 2.602 -4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.368 4.506 -6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.688 4.717 -5.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 17.724 5.558 -4.893 1.00 0.00 H new ATOM 469 N ALA A 33 16.002 -0.768 -2.543 1.00 0.00 N ATOM 470 CA ALA A 33 16.743 -1.971 -2.183 1.00 0.00 C ATOM 471 C ALA A 33 18.167 -1.922 -2.726 1.00 0.00 C ATOM 472 O ALA A 33 18.408 -1.397 -3.812 1.00 0.00 O ATOM 473 CB ALA A 33 16.022 -3.208 -2.697 1.00 0.00 C ATOM 0 H ALA A 33 15.945 -0.592 -3.546 1.00 0.00 H new ATOM 0 HA ALA A 33 16.799 -2.022 -1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.586 -4.099 -2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.026 -3.258 -2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 33 15.936 -3.154 -3.782 1.00 0.00 H new ATOM 479 N GLU A 34 19.106 -2.472 -1.963 1.00 0.00 N ATOM 480 CA GLU A 34 20.506 -2.489 -2.368 1.00 0.00 C ATOM 481 C GLU A 34 20.951 -3.903 -2.731 1.00 0.00 C ATOM 482 O GLU A 34 21.519 -4.132 -3.799 1.00 0.00 O ATOM 483 CB GLU A 34 21.391 -1.936 -1.250 1.00 0.00 C ATOM 484 CG GLU A 34 20.959 -0.567 -0.752 1.00 0.00 C ATOM 485 CD GLU A 34 21.826 -0.058 0.383 1.00 0.00 C ATOM 486 OE1 GLU A 34 21.624 -0.505 1.531 1.00 0.00 O ATOM 487 OE2 GLU A 34 22.707 0.789 0.122 1.00 0.00 O ATOM 0 H GLU A 34 18.922 -2.912 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 34 20.609 -1.856 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.385 -2.636 -0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.419 -1.875 -1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.994 0.144 -1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.923 -0.616 -0.418 1.00 0.00 H new ATOM 494 N ASP A 35 20.688 -4.847 -1.834 1.00 0.00 N ATOM 495 CA ASP A 35 21.060 -6.239 -2.059 1.00 0.00 C ATOM 496 C ASP A 35 20.004 -6.956 -2.893 1.00 0.00 C ATOM 497 O ASP A 35 18.869 -6.492 -3.010 1.00 0.00 O ATOM 498 CB ASP A 35 21.249 -6.961 -0.723 1.00 0.00 C ATOM 499 CG ASP A 35 22.197 -8.139 -0.831 1.00 0.00 C ATOM 500 OD1 ASP A 35 23.425 -7.914 -0.838 1.00 0.00 O ATOM 501 OD2 ASP A 35 21.710 -9.287 -0.909 1.00 0.00 O ATOM 0 H ASP A 35 20.219 -4.674 -0.945 1.00 0.00 H new ATOM 0 HA ASP A 35 22.002 -6.253 -2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 35 21.631 -6.257 0.016 1.00 0.00 H new ATOM 0 HB3 ASP A 35 20.281 -7.309 -0.361 1.00 0.00 H new ATOM 506 N LEU A 36 20.384 -8.089 -3.473 1.00 0.00 N ATOM 507 CA LEU A 36 19.470 -8.871 -4.299 1.00 0.00 C ATOM 508 C LEU A 36 18.980 -10.105 -3.550 1.00 0.00 C ATOM 509 O LEU A 36 17.807 -10.473 -3.637 1.00 0.00 O ATOM 510 CB LEU A 36 20.157 -9.289 -5.600 1.00 0.00 C ATOM 511 CG LEU A 36 20.791 -8.163 -6.417 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.339 -8.699 -7.731 1.00 0.00 C ATOM 513 CD2 LEU A 36 19.779 -7.055 -6.672 1.00 0.00 C ATOM 0 H LEU A 36 21.319 -8.487 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 36 18.609 -8.246 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 36 20.932 -10.017 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 36 19.425 -9.797 -6.227 1.00 0.00 H new ATOM 0 HG LEU A 36 21.620 -7.747 -5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 36 21.786 -7.883 -8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 36 22.096 -9.457 -7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 36 20.528 -9.142 -8.310 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.247 -6.262 -7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 36 18.930 -7.458 -7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.434 -6.651 -5.720 1.00 0.00 H new ATOM 525 N LEU A 37 19.883 -10.740 -2.811 1.00 0.00 N ATOM 526 CA LEU A 37 19.542 -11.933 -2.043 1.00 0.00 C ATOM 527 C LEU A 37 18.274 -11.710 -1.225 1.00 0.00 C ATOM 528 O LEU A 37 17.389 -12.564 -1.189 1.00 0.00 O ATOM 529 CB LEU A 37 20.699 -12.316 -1.119 1.00 0.00 C ATOM 530 CG LEU A 37 21.904 -12.976 -1.790 1.00 0.00 C ATOM 531 CD1 LEU A 37 21.496 -14.279 -2.458 1.00 0.00 C ATOM 532 CD2 LEU A 37 22.535 -12.030 -2.801 1.00 0.00 C ATOM 0 H LEU A 37 20.857 -10.449 -2.727 1.00 0.00 H new ATOM 0 HA LEU A 37 19.361 -12.748 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 37 21.041 -11.417 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.318 -12.993 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 37 22.644 -13.202 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 37 22.367 -14.734 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 37 21.091 -14.960 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 37 20.737 -14.078 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 37 23.391 -12.516 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.802 -11.772 -3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 37 22.865 -11.123 -2.294 1.00 0.00 H new ATOM 544 N ARG A 38 18.194 -10.555 -0.571 1.00 0.00 N ATOM 545 CA ARG A 38 17.034 -10.219 0.246 1.00 0.00 C ATOM 546 C ARG A 38 15.924 -9.614 -0.609 1.00 0.00 C ATOM 547 O ARG A 38 16.177 -8.768 -1.467 1.00 0.00 O ATOM 548 CB ARG A 38 17.430 -9.242 1.354 1.00 0.00 C ATOM 549 CG ARG A 38 18.528 -9.766 2.265 1.00 0.00 C ATOM 550 CD ARG A 38 17.953 -10.532 3.446 1.00 0.00 C ATOM 551 NE ARG A 38 18.999 -11.138 4.266 1.00 0.00 N ATOM 552 CZ ARG A 38 18.753 -11.877 5.342 1.00 0.00 C ATOM 553 NH1 ARG A 38 17.503 -12.101 5.725 1.00 0.00 N ATOM 554 NH2 ARG A 38 19.758 -12.395 6.037 1.00 0.00 N ATOM 0 H ARG A 38 18.918 -9.837 -0.591 1.00 0.00 H new ATOM 0 HA ARG A 38 16.660 -11.138 0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.761 -8.307 0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.550 -9.012 1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.194 -10.416 1.698 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.130 -8.933 2.628 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.356 -9.857 4.060 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.282 -11.310 3.082 1.00 0.00 H new ATOM 0 HE ARG A 38 19.971 -10.985 3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.728 -11.705 5.193 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.317 -12.669 6.552 1.00 0.00 H new ATOM 0 HH21 ARG A 38 20.721 -12.226 5.745 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.568 -12.962 6.863 1.00 0.00 H new ATOM 568 N LYS A 39 14.693 -10.053 -0.368 1.00 0.00 N ATOM 569 CA LYS A 39 13.543 -9.555 -1.114 1.00 0.00 C ATOM 570 C LYS A 39 12.527 -8.908 -0.179 1.00 0.00 C ATOM 571 O LYS A 39 11.972 -9.549 0.714 1.00 0.00 O ATOM 572 CB LYS A 39 12.882 -10.694 -1.893 1.00 0.00 C ATOM 573 CG LYS A 39 12.241 -10.248 -3.195 1.00 0.00 C ATOM 574 CD LYS A 39 10.810 -9.782 -2.981 1.00 0.00 C ATOM 575 CE LYS A 39 9.872 -10.955 -2.740 1.00 0.00 C ATOM 576 NZ LYS A 39 8.629 -10.535 -2.036 1.00 0.00 N ATOM 0 H LYS A 39 14.466 -10.753 0.338 1.00 0.00 H new ATOM 0 HA LYS A 39 13.896 -8.800 -1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.630 -11.457 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.123 -11.160 -1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.827 -9.439 -3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.254 -11.072 -3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.771 -9.103 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.475 -9.220 -3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.612 -11.414 -3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.385 -11.715 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.966 -11.335 -1.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.863 -10.230 -1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.188 -9.746 -2.550 1.00 0.00 H new ATOM 590 N PRO A 40 12.275 -7.607 -0.386 1.00 0.00 N ATOM 591 CA PRO A 40 11.323 -6.845 0.428 1.00 0.00 C ATOM 592 C PRO A 40 9.879 -7.266 0.175 1.00 0.00 C ATOM 593 O PRO A 40 9.294 -6.931 -0.855 1.00 0.00 O ATOM 594 CB PRO A 40 11.545 -5.400 -0.025 1.00 0.00 C ATOM 595 CG PRO A 40 12.085 -5.515 -1.409 1.00 0.00 C ATOM 596 CD PRO A 40 12.900 -6.779 -1.431 1.00 0.00 C ATOM 0 HA PRO A 40 11.483 -7.001 1.495 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.614 -4.833 -0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.245 -4.883 0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.278 -5.558 -2.141 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.699 -4.650 -1.662 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.861 -7.265 -2.406 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.950 -6.584 -1.214 1.00 0.00 H new ATOM 604 N THR A 41 9.307 -8.002 1.123 1.00 0.00 N ATOM 605 CA THR A 41 7.932 -8.469 1.003 1.00 0.00 C ATOM 606 C THR A 41 6.948 -7.411 1.488 1.00 0.00 C ATOM 607 O THR A 41 7.088 -6.878 2.589 1.00 0.00 O ATOM 608 CB THR A 41 7.708 -9.767 1.803 1.00 0.00 C ATOM 609 OG1 THR A 41 8.769 -10.692 1.543 1.00 0.00 O ATOM 610 CG2 THR A 41 6.374 -10.402 1.439 1.00 0.00 C ATOM 0 H THR A 41 9.776 -8.287 1.983 1.00 0.00 H new ATOM 0 HA THR A 41 7.756 -8.667 -0.054 1.00 0.00 H new ATOM 0 HB THR A 41 7.697 -9.517 2.864 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.620 -11.513 2.056 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.237 -11.317 2.016 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.566 -9.706 1.665 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.362 -10.639 0.375 1.00 0.00 H new ATOM 618 N ILE A 42 5.953 -7.112 0.660 1.00 0.00 N ATOM 619 CA ILE A 42 4.944 -6.118 1.005 1.00 0.00 C ATOM 620 C ILE A 42 3.603 -6.778 1.308 1.00 0.00 C ATOM 621 O ILE A 42 3.248 -7.792 0.708 1.00 0.00 O ATOM 622 CB ILE A 42 4.754 -5.091 -0.127 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.801 -3.980 0.318 1.00 0.00 C ATOM 624 CG2 ILE A 42 4.231 -5.776 -1.381 1.00 0.00 C ATOM 625 CD1 ILE A 42 4.081 -2.646 -0.338 1.00 0.00 C ATOM 0 H ILE A 42 5.824 -7.544 -0.255 1.00 0.00 H new ATOM 0 HA ILE A 42 5.302 -5.602 1.896 1.00 0.00 H new ATOM 0 HB ILE A 42 5.720 -4.643 -0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.777 -4.279 0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.869 -3.865 1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.102 -5.037 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.944 -6.534 -1.705 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.272 -6.248 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.368 -1.906 0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.093 -2.325 -0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.984 -2.745 -1.419 1.00 0.00 H new ATOM 637 N LYS A 43 2.861 -6.194 2.243 1.00 0.00 N ATOM 638 CA LYS A 43 1.556 -6.722 2.624 1.00 0.00 C ATOM 639 C LYS A 43 0.546 -5.595 2.809 1.00 0.00 C ATOM 640 O LYS A 43 0.705 -4.743 3.684 1.00 0.00 O ATOM 641 CB LYS A 43 1.671 -7.536 3.915 1.00 0.00 C ATOM 642 CG LYS A 43 0.450 -8.393 4.204 1.00 0.00 C ATOM 643 CD LYS A 43 0.564 -9.762 3.555 1.00 0.00 C ATOM 644 CE LYS A 43 1.551 -10.650 4.296 1.00 0.00 C ATOM 645 NZ LYS A 43 1.965 -11.824 3.477 1.00 0.00 N ATOM 0 H LYS A 43 3.141 -5.355 2.751 1.00 0.00 H new ATOM 0 HA LYS A 43 1.205 -7.371 1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.549 -8.179 3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.833 -6.855 4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.332 -8.509 5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.444 -7.889 3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.415 -10.240 3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.882 -9.649 2.518 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.432 -10.067 4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.100 -10.997 5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.638 -12.404 4.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.128 -12.394 3.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.418 -11.494 2.601 1.00 0.00 H new ATOM 659 N TRP A 44 -0.493 -5.596 1.983 1.00 0.00 N ATOM 660 CA TRP A 44 -1.531 -4.574 2.057 1.00 0.00 C ATOM 661 C TRP A 44 -2.570 -4.928 3.114 1.00 0.00 C ATOM 662 O TRP A 44 -3.025 -6.070 3.194 1.00 0.00 O ATOM 663 CB TRP A 44 -2.207 -4.404 0.695 1.00 0.00 C ATOM 664 CG TRP A 44 -1.242 -4.124 -0.417 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.501 -5.039 -1.108 1.00 0.00 C ATOM 666 CD2 TRP A 44 -0.914 -2.842 -0.963 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.269 -4.403 -2.052 1.00 0.00 N ATOM 668 CE2 TRP A 44 0.033 -3.055 -1.984 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.329 -1.536 -0.692 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.571 -2.010 -2.730 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -0.794 -0.499 -1.433 1.00 0.00 C ATOM 672 CH2 TRP A 44 0.147 -0.741 -2.443 1.00 0.00 C ATOM 0 H TRP A 44 -0.640 -6.294 1.253 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.059 -3.633 2.340 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.768 -5.309 0.460 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.928 -3.589 0.755 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.518 -6.105 -0.938 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.912 -4.860 -2.698 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.055 -1.340 0.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.297 -2.194 -3.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.106 0.515 -1.230 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.545 0.090 -3.006 1.00 0.00 H new ATOM 683 N PHE A 45 -2.943 -3.944 3.925 1.00 0.00 N ATOM 684 CA PHE A 45 -3.929 -4.153 4.979 1.00 0.00 C ATOM 685 C PHE A 45 -5.049 -3.120 4.889 1.00 0.00 C ATOM 686 O PHE A 45 -4.924 -2.110 4.195 1.00 0.00 O ATOM 687 CB PHE A 45 -3.261 -4.080 6.353 1.00 0.00 C ATOM 688 CG PHE A 45 -2.450 -5.298 6.691 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.061 -6.439 7.184 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.075 -5.301 6.515 1.00 0.00 C ATOM 691 CE1 PHE A 45 -2.317 -7.562 7.495 1.00 0.00 C ATOM 692 CE2 PHE A 45 -0.326 -6.421 6.824 1.00 0.00 C ATOM 693 CZ PHE A 45 -0.947 -7.552 7.316 1.00 0.00 C ATOM 0 H PHE A 45 -2.577 -2.993 3.873 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.362 -5.144 4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.616 -3.202 6.388 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.029 -3.942 7.114 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.131 -6.452 7.327 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.584 -4.419 6.132 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.806 -8.446 7.877 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.744 -6.411 6.681 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.363 -8.427 7.560 1.00 0.00 H new ATOM 703 N LYS A 46 -6.143 -3.380 5.596 1.00 0.00 N ATOM 704 CA LYS A 46 -7.286 -2.474 5.598 1.00 0.00 C ATOM 705 C LYS A 46 -8.019 -2.527 6.935 1.00 0.00 C ATOM 706 O LYS A 46 -7.972 -3.534 7.640 1.00 0.00 O ATOM 707 CB LYS A 46 -8.248 -2.830 4.462 1.00 0.00 C ATOM 708 CG LYS A 46 -9.010 -1.636 3.914 1.00 0.00 C ATOM 709 CD LYS A 46 -10.348 -1.461 4.612 1.00 0.00 C ATOM 710 CE LYS A 46 -11.319 -0.654 3.763 1.00 0.00 C ATOM 711 NZ LYS A 46 -11.740 -1.399 2.544 1.00 0.00 N ATOM 0 H LYS A 46 -6.263 -4.211 6.175 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.915 -1.460 5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.685 -3.294 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.961 -3.572 4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.412 -0.733 4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.171 -1.766 2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.778 -2.439 4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.198 -0.961 5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.198 -0.402 4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.851 0.286 3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.351 -0.932 1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.386 -2.375 2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.778 -1.410 2.485 1.00 0.00 H new ATOM 725 N GLY A 47 -8.699 -1.436 7.276 1.00 0.00 N ATOM 726 CA GLY A 47 -9.433 -1.380 8.526 1.00 0.00 C ATOM 727 C GLY A 47 -8.524 -1.449 9.737 1.00 0.00 C ATOM 728 O GLY A 47 -7.524 -0.734 9.813 1.00 0.00 O ATOM 0 H GLY A 47 -8.754 -0.590 6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.012 -0.457 8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.145 -2.205 8.563 1.00 0.00 H new ATOM 732 N LYS A 48 -8.870 -2.310 10.687 1.00 0.00 N ATOM 733 CA LYS A 48 -8.078 -2.470 11.901 1.00 0.00 C ATOM 734 C LYS A 48 -7.263 -3.758 11.853 1.00 0.00 C ATOM 735 O LYS A 48 -6.051 -3.744 12.066 1.00 0.00 O ATOM 736 CB LYS A 48 -8.989 -2.475 13.131 1.00 0.00 C ATOM 737 CG LYS A 48 -9.265 -1.090 13.690 1.00 0.00 C ATOM 738 CD LYS A 48 -8.218 -0.682 14.713 1.00 0.00 C ATOM 739 CE LYS A 48 -8.769 0.337 15.698 1.00 0.00 C ATOM 740 NZ LYS A 48 -9.043 1.647 15.046 1.00 0.00 N ATOM 0 H LYS A 48 -9.695 -2.909 10.640 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.389 -1.628 11.970 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.936 -2.947 12.869 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.532 -3.087 13.909 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.282 -0.365 12.876 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.252 -1.073 14.152 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.874 -1.563 15.254 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.351 -0.263 14.201 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.688 -0.047 16.142 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.057 0.478 16.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.417 2.314 15.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.162 2.026 14.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.742 1.517 14.287 1.00 0.00 H new ATOM 754 N TRP A 49 -7.936 -4.868 11.572 1.00 0.00 N ATOM 755 CA TRP A 49 -7.272 -6.165 11.495 1.00 0.00 C ATOM 756 C TRP A 49 -7.707 -6.925 10.247 1.00 0.00 C ATOM 757 O TRP A 49 -7.882 -8.143 10.282 1.00 0.00 O ATOM 758 CB TRP A 49 -7.578 -6.992 12.745 1.00 0.00 C ATOM 759 CG TRP A 49 -7.765 -6.160 13.977 1.00 0.00 C ATOM 760 CD1 TRP A 49 -8.835 -5.363 14.273 1.00 0.00 C ATOM 761 CD2 TRP A 49 -6.857 -6.040 15.077 1.00 0.00 C ATOM 762 NE1 TRP A 49 -8.646 -4.756 15.491 1.00 0.00 N ATOM 763 CE2 TRP A 49 -7.441 -5.156 16.005 1.00 0.00 C ATOM 764 CE3 TRP A 49 -5.609 -6.596 15.370 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -6.817 -4.815 17.202 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -4.991 -6.257 16.558 1.00 0.00 C ATOM 767 CH2 TRP A 49 -5.595 -5.374 17.463 1.00 0.00 C ATOM 0 H TRP A 49 -8.940 -4.896 11.394 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.197 -5.993 11.436 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.480 -7.579 12.572 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.765 -7.698 12.912 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -9.702 -5.230 13.642 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -9.297 -4.112 15.940 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -5.136 -7.279 14.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -7.281 -4.134 17.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -4.026 -6.680 16.793 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.087 -5.130 18.384 1.00 0.00 H new ATOM 778 N MET A 50 -7.880 -6.200 9.147 1.00 0.00 N ATOM 779 CA MET A 50 -8.294 -6.809 7.888 1.00 0.00 C ATOM 780 C MET A 50 -7.094 -7.039 6.976 1.00 0.00 C ATOM 781 O MET A 50 -6.247 -6.160 6.814 1.00 0.00 O ATOM 782 CB MET A 50 -9.323 -5.923 7.183 1.00 0.00 C ATOM 783 CG MET A 50 -10.323 -6.703 6.344 1.00 0.00 C ATOM 784 SD MET A 50 -11.521 -5.636 5.521 1.00 0.00 S ATOM 785 CE MET A 50 -10.796 -5.509 3.888 1.00 0.00 C ATOM 0 H MET A 50 -7.740 -5.191 9.102 1.00 0.00 H new ATOM 0 HA MET A 50 -8.749 -7.774 8.111 1.00 0.00 H new ATOM 0 HB2 MET A 50 -9.863 -5.342 7.931 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.801 -5.212 6.543 1.00 0.00 H new ATOM 0 HG2 MET A 50 -9.787 -7.286 5.595 1.00 0.00 H new ATOM 0 HG3 MET A 50 -10.851 -7.412 6.981 1.00 0.00 H new ATOM 0 HE1 MET A 50 -11.055 -4.545 3.449 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.712 -5.594 3.964 1.00 0.00 H new ATOM 0 HE3 MET A 50 -11.179 -6.310 3.256 1.00 0.00 H new ATOM 795 N ASP A 51 -7.027 -8.226 6.383 1.00 0.00 N ATOM 796 CA ASP A 51 -5.930 -8.572 5.485 1.00 0.00 C ATOM 797 C ASP A 51 -6.417 -8.665 4.043 1.00 0.00 C ATOM 798 O ASP A 51 -7.243 -9.516 3.709 1.00 0.00 O ATOM 799 CB ASP A 51 -5.295 -9.897 5.909 1.00 0.00 C ATOM 800 CG ASP A 51 -3.915 -10.094 5.313 1.00 0.00 C ATOM 801 OD1 ASP A 51 -3.717 -9.716 4.139 1.00 0.00 O ATOM 802 OD2 ASP A 51 -3.034 -10.627 6.019 1.00 0.00 O ATOM 0 H ASP A 51 -7.719 -8.965 6.508 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.180 -7.783 5.546 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.227 -9.932 6.996 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.941 -10.720 5.603 1.00 0.00 H new ATOM 807 N LEU A 52 -5.902 -7.785 3.192 1.00 0.00 N ATOM 808 CA LEU A 52 -6.285 -7.767 1.784 1.00 0.00 C ATOM 809 C LEU A 52 -5.668 -8.944 1.037 1.00 0.00 C ATOM 810 O LEU A 52 -6.312 -9.561 0.189 1.00 0.00 O ATOM 811 CB LEU A 52 -5.852 -6.452 1.134 1.00 0.00 C ATOM 812 CG LEU A 52 -6.406 -5.175 1.768 1.00 0.00 C ATOM 813 CD1 LEU A 52 -5.798 -3.946 1.110 1.00 0.00 C ATOM 814 CD2 LEU A 52 -7.924 -5.143 1.663 1.00 0.00 C ATOM 0 H LEU A 52 -5.218 -7.074 3.452 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.370 -7.853 1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.763 -6.401 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.151 -6.472 0.086 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.135 -5.168 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.204 -3.047 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.716 -3.963 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.038 -3.946 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.301 -4.228 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.217 -5.173 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.343 -6.006 2.181 1.00 0.00 H new ATOM 826 N ALA A 53 -4.416 -9.253 1.359 1.00 0.00 N ATOM 827 CA ALA A 53 -3.713 -10.359 0.722 1.00 0.00 C ATOM 828 C ALA A 53 -4.630 -11.565 0.548 1.00 0.00 C ATOM 829 O ALA A 53 -4.631 -12.210 -0.501 1.00 0.00 O ATOM 830 CB ALA A 53 -2.484 -10.741 1.533 1.00 0.00 C ATOM 0 H ALA A 53 -3.868 -8.752 2.058 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.394 -10.032 -0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.969 -11.568 1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.813 -9.885 1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.789 -11.044 2.535 1.00 0.00 H new ATOM 836 N SER A 54 -5.409 -11.864 1.583 1.00 0.00 N ATOM 837 CA SER A 54 -6.328 -12.996 1.545 1.00 0.00 C ATOM 838 C SER A 54 -7.546 -12.678 0.683 1.00 0.00 C ATOM 839 O SER A 54 -8.063 -13.543 -0.025 1.00 0.00 O ATOM 840 CB SER A 54 -6.773 -13.365 2.962 1.00 0.00 C ATOM 841 OG SER A 54 -7.790 -14.352 2.935 1.00 0.00 O ATOM 0 H SER A 54 -5.422 -11.339 2.457 1.00 0.00 H new ATOM 0 HA SER A 54 -5.804 -13.844 1.104 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.919 -13.733 3.531 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.138 -12.476 3.475 1.00 0.00 H new ATOM 0 HG SER A 54 -8.057 -14.572 3.852 1.00 0.00 H new ATOM 847 N LYS A 55 -8.001 -11.432 0.750 1.00 0.00 N ATOM 848 CA LYS A 55 -9.158 -10.997 -0.024 1.00 0.00 C ATOM 849 C LYS A 55 -8.860 -11.042 -1.520 1.00 0.00 C ATOM 850 O LYS A 55 -9.745 -11.314 -2.330 1.00 0.00 O ATOM 851 CB LYS A 55 -9.566 -9.579 0.383 1.00 0.00 C ATOM 852 CG LYS A 55 -9.787 -9.415 1.877 1.00 0.00 C ATOM 853 CD LYS A 55 -11.095 -10.050 2.319 1.00 0.00 C ATOM 854 CE LYS A 55 -11.520 -9.551 3.692 1.00 0.00 C ATOM 855 NZ LYS A 55 -12.389 -10.535 4.395 1.00 0.00 N ATOM 0 H LYS A 55 -7.586 -10.705 1.333 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.981 -11.680 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.794 -8.881 0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.481 -9.308 -0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.959 -9.869 2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.792 -8.355 2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.875 -9.825 1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.985 -11.134 2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.635 -9.352 4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.053 -8.606 3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.657 -10.158 5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.246 -10.706 3.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.872 -11.429 4.519 1.00 0.00 H new ATOM 869 N ALA A 56 -7.608 -10.774 -1.877 1.00 0.00 N ATOM 870 CA ALA A 56 -7.193 -10.788 -3.275 1.00 0.00 C ATOM 871 C ALA A 56 -7.542 -12.116 -3.938 1.00 0.00 C ATOM 872 O ALA A 56 -6.918 -13.140 -3.665 1.00 0.00 O ATOM 873 CB ALA A 56 -5.700 -10.516 -3.385 1.00 0.00 C ATOM 0 H ALA A 56 -6.864 -10.545 -1.218 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.734 -9.999 -3.797 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.404 -10.529 -4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.476 -9.539 -2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.149 -11.285 -2.843 1.00 0.00 H new ATOM 879 N GLY A 57 -8.544 -12.091 -4.811 1.00 0.00 N ATOM 880 CA GLY A 57 -8.959 -13.299 -5.499 1.00 0.00 C ATOM 881 C GLY A 57 -9.449 -13.026 -6.908 1.00 0.00 C ATOM 882 O GLY A 57 -8.816 -13.429 -7.883 1.00 0.00 O ATOM 0 H GLY A 57 -9.076 -11.255 -5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.123 -13.997 -5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.752 -13.783 -4.929 1.00 0.00 H new ATOM 886 N LYS A 58 -10.582 -12.339 -7.015 1.00 0.00 N ATOM 887 CA LYS A 58 -11.158 -12.012 -8.314 1.00 0.00 C ATOM 888 C LYS A 58 -11.412 -10.513 -8.434 1.00 0.00 C ATOM 889 O LYS A 58 -10.922 -9.862 -9.358 1.00 0.00 O ATOM 890 CB LYS A 58 -12.465 -12.780 -8.523 1.00 0.00 C ATOM 891 CG LYS A 58 -12.536 -14.083 -7.746 1.00 0.00 C ATOM 892 CD LYS A 58 -13.402 -15.109 -8.457 1.00 0.00 C ATOM 893 CE LYS A 58 -14.875 -14.734 -8.397 1.00 0.00 C ATOM 894 NZ LYS A 58 -15.382 -14.701 -6.997 1.00 0.00 N ATOM 0 H LYS A 58 -11.119 -11.998 -6.218 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.445 -12.305 -9.084 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.301 -12.145 -8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.585 -12.993 -9.585 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.531 -14.483 -7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.938 -13.893 -6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.089 -15.192 -9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.256 -16.088 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.020 -13.758 -8.859 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.456 -15.451 -8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.420 -14.764 -7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.989 -15.505 -6.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.091 -13.811 -6.543 1.00 0.00 H new ATOM 908 N HIS A 59 -12.179 -9.969 -7.495 1.00 0.00 N ATOM 909 CA HIS A 59 -12.496 -8.546 -7.495 1.00 0.00 C ATOM 910 C HIS A 59 -11.244 -7.710 -7.246 1.00 0.00 C ATOM 911 O HIS A 59 -11.122 -6.591 -7.744 1.00 0.00 O ATOM 912 CB HIS A 59 -13.549 -8.236 -6.431 1.00 0.00 C ATOM 913 CG HIS A 59 -14.896 -8.818 -6.734 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.696 -8.367 -7.762 1.00 0.00 N ATOM 915 CD2 HIS A 59 -15.581 -9.821 -6.138 1.00 0.00 C ATOM 916 CE1 HIS A 59 -16.816 -9.067 -7.785 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.771 -9.957 -6.809 1.00 0.00 N ATOM 0 H HIS A 59 -12.593 -10.493 -6.724 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.895 -8.289 -8.476 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.205 -8.617 -5.469 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.644 -7.155 -6.330 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.253 -10.406 -5.292 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.630 -8.935 -8.483 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.501 -10.635 -6.590 1.00 0.00 H new ATOM 926 N LEU A 60 -10.315 -8.261 -6.472 1.00 0.00 N ATOM 927 CA LEU A 60 -9.072 -7.567 -6.156 1.00 0.00 C ATOM 928 C LEU A 60 -7.865 -8.361 -6.645 1.00 0.00 C ATOM 929 O LEU A 60 -7.878 -9.592 -6.642 1.00 0.00 O ATOM 930 CB LEU A 60 -8.965 -7.332 -4.648 1.00 0.00 C ATOM 931 CG LEU A 60 -7.576 -6.968 -4.122 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.384 -5.459 -4.121 1.00 0.00 C ATOM 933 CD2 LEU A 60 -7.368 -7.535 -2.726 1.00 0.00 C ATOM 0 H LEU A 60 -10.399 -9.187 -6.052 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.082 -6.605 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.655 -6.534 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.301 -8.233 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.831 -7.408 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.390 -5.219 -3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.488 -5.078 -5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.136 -4.997 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.374 -7.266 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.120 -7.126 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.461 -8.621 -2.757 1.00 0.00 H new ATOM 945 N GLN A 61 -6.824 -7.649 -7.062 1.00 0.00 N ATOM 946 CA GLN A 61 -5.608 -8.288 -7.553 1.00 0.00 C ATOM 947 C GLN A 61 -4.385 -7.422 -7.269 1.00 0.00 C ATOM 948 O GLN A 61 -4.350 -6.244 -7.626 1.00 0.00 O ATOM 949 CB GLN A 61 -5.720 -8.558 -9.054 1.00 0.00 C ATOM 950 CG GLN A 61 -6.834 -9.526 -9.418 1.00 0.00 C ATOM 951 CD GLN A 61 -6.436 -10.975 -9.218 1.00 0.00 C ATOM 952 OE1 GLN A 61 -5.663 -11.532 -9.998 1.00 0.00 O ATOM 953 NE2 GLN A 61 -6.964 -11.595 -8.169 1.00 0.00 N ATOM 0 H GLN A 61 -6.797 -6.629 -7.070 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.488 -9.236 -7.029 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.887 -7.614 -9.573 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.772 -8.957 -9.414 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.713 -9.307 -8.811 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.119 -9.372 -10.459 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.600 -11.095 -7.548 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.733 -12.571 -7.984 1.00 0.00 H new ATOM 962 N LEU A 62 -3.385 -8.013 -6.626 1.00 0.00 N ATOM 963 CA LEU A 62 -2.159 -7.296 -6.293 1.00 0.00 C ATOM 964 C LEU A 62 -1.101 -7.495 -7.374 1.00 0.00 C ATOM 965 O LEU A 62 -1.198 -8.411 -8.191 1.00 0.00 O ATOM 966 CB LEU A 62 -1.619 -7.768 -4.942 1.00 0.00 C ATOM 967 CG LEU A 62 -2.644 -7.885 -3.813 1.00 0.00 C ATOM 968 CD1 LEU A 62 -1.984 -8.402 -2.545 1.00 0.00 C ATOM 969 CD2 LEU A 62 -3.313 -6.542 -3.559 1.00 0.00 C ATOM 0 H LEU A 62 -3.399 -8.987 -6.324 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.394 -6.233 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.149 -8.742 -5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.836 -7.079 -4.625 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.410 -8.598 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.729 -8.479 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.553 -9.385 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.197 -7.713 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.039 -6.644 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.559 -5.807 -3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.821 -6.211 -4.465 1.00 0.00 H new ATOM 981 N LYS A 63 -0.090 -6.633 -7.372 1.00 0.00 N ATOM 982 CA LYS A 63 0.988 -6.715 -8.349 1.00 0.00 C ATOM 983 C LYS A 63 2.344 -6.511 -7.681 1.00 0.00 C ATOM 984 O LYS A 63 2.463 -5.757 -6.716 1.00 0.00 O ATOM 985 CB LYS A 63 0.788 -5.671 -9.450 1.00 0.00 C ATOM 986 CG LYS A 63 1.309 -6.110 -10.807 1.00 0.00 C ATOM 987 CD LYS A 63 0.941 -5.114 -11.894 1.00 0.00 C ATOM 988 CE LYS A 63 1.913 -5.180 -13.062 1.00 0.00 C ATOM 989 NZ LYS A 63 3.228 -4.569 -12.725 1.00 0.00 N ATOM 0 H LYS A 63 0.005 -5.869 -6.703 1.00 0.00 H new ATOM 0 HA LYS A 63 0.967 -7.710 -8.793 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.275 -5.444 -9.535 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.289 -4.748 -9.159 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.393 -6.219 -10.764 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.900 -7.089 -11.056 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.070 -5.317 -12.248 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.937 -4.106 -11.479 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.060 -6.220 -13.354 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.483 -4.666 -13.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.657 -4.171 -13.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.090 -3.812 -12.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.857 -5.296 -12.329 1.00 0.00 H new ATOM 1003 N GLU A 64 3.364 -7.187 -8.202 1.00 0.00 N ATOM 1004 CA GLU A 64 4.711 -7.078 -7.656 1.00 0.00 C ATOM 1005 C GLU A 64 5.759 -7.323 -8.738 1.00 0.00 C ATOM 1006 O GLU A 64 5.682 -8.300 -9.483 1.00 0.00 O ATOM 1007 CB GLU A 64 4.902 -8.074 -6.510 1.00 0.00 C ATOM 1008 CG GLU A 64 6.357 -8.427 -6.247 1.00 0.00 C ATOM 1009 CD GLU A 64 6.515 -9.492 -5.179 1.00 0.00 C ATOM 1010 OE1 GLU A 64 5.673 -9.538 -4.257 1.00 0.00 O ATOM 1011 OE2 GLU A 64 7.480 -10.279 -5.265 1.00 0.00 O ATOM 0 H GLU A 64 3.282 -7.815 -9.001 1.00 0.00 H new ATOM 0 HA GLU A 64 4.840 -6.065 -7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.468 -7.657 -5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.351 -8.986 -6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.816 -8.775 -7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.895 -7.530 -5.942 1.00 0.00 H new ATOM 1018 N THR A 65 6.739 -6.428 -8.818 1.00 0.00 N ATOM 1019 CA THR A 65 7.801 -6.545 -9.809 1.00 0.00 C ATOM 1020 C THR A 65 9.123 -6.019 -9.262 1.00 0.00 C ATOM 1021 O THR A 65 9.145 -5.116 -8.426 1.00 0.00 O ATOM 1022 CB THR A 65 7.452 -5.781 -11.100 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.334 -6.176 -12.157 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.553 -4.278 -10.883 1.00 0.00 C ATOM 0 H THR A 65 6.819 -5.614 -8.208 1.00 0.00 H new ATOM 0 HA THR A 65 7.902 -7.605 -10.040 1.00 0.00 H new ATOM 0 HB THR A 65 6.426 -6.025 -11.374 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.104 -5.687 -12.975 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.302 -3.759 -11.808 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.859 -3.976 -10.098 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.570 -4.021 -10.587 1.00 0.00 H new ATOM 1032 N PHE A 66 10.224 -6.590 -9.740 1.00 0.00 N ATOM 1033 CA PHE A 66 11.552 -6.178 -9.298 1.00 0.00 C ATOM 1034 C PHE A 66 12.386 -5.678 -10.474 1.00 0.00 C ATOM 1035 O PHE A 66 12.279 -6.194 -11.586 1.00 0.00 O ATOM 1036 CB PHE A 66 12.267 -7.342 -8.609 1.00 0.00 C ATOM 1037 CG PHE A 66 13.703 -7.052 -8.278 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.029 -6.135 -7.292 1.00 0.00 C ATOM 1039 CD2 PHE A 66 14.727 -7.695 -8.955 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.350 -5.866 -6.985 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.049 -7.430 -8.652 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.361 -6.514 -7.666 1.00 0.00 C ATOM 0 H PHE A 66 10.223 -7.339 -10.433 1.00 0.00 H new ATOM 0 HA PHE A 66 11.434 -5.361 -8.586 1.00 0.00 H new ATOM 0 HB2 PHE A 66 11.735 -7.593 -7.692 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.221 -8.219 -9.254 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.242 -5.624 -6.757 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.489 -8.411 -9.728 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.591 -5.150 -6.213 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.838 -7.939 -9.186 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.394 -6.305 -7.428 1.00 0.00 H new ATOM 1052 N GLU A 67 13.215 -4.671 -10.219 1.00 0.00 N ATOM 1053 CA GLU A 67 14.065 -4.101 -11.257 1.00 0.00 C ATOM 1054 C GLU A 67 15.514 -4.010 -10.784 1.00 0.00 C ATOM 1055 O GLU A 67 15.933 -2.997 -10.224 1.00 0.00 O ATOM 1056 CB GLU A 67 13.560 -2.713 -11.656 1.00 0.00 C ATOM 1057 CG GLU A 67 12.448 -2.745 -12.690 1.00 0.00 C ATOM 1058 CD GLU A 67 12.112 -1.368 -13.229 1.00 0.00 C ATOM 1059 OE1 GLU A 67 13.037 -0.539 -13.355 1.00 0.00 O ATOM 1060 OE2 GLU A 67 10.924 -1.118 -13.523 1.00 0.00 O ATOM 0 H GLU A 67 13.316 -4.233 -9.303 1.00 0.00 H new ATOM 0 HA GLU A 67 14.024 -4.758 -12.126 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.202 -2.196 -10.766 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.394 -2.131 -12.049 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.744 -3.392 -13.516 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.555 -3.184 -12.245 1.00 0.00 H new ATOM 1067 N ARG A 68 16.272 -5.077 -11.013 1.00 0.00 N ATOM 1068 CA ARG A 68 17.673 -5.120 -10.609 1.00 0.00 C ATOM 1069 C ARG A 68 18.415 -3.877 -11.092 1.00 0.00 C ATOM 1070 O ARG A 68 19.295 -3.360 -10.402 1.00 0.00 O ATOM 1071 CB ARG A 68 18.347 -6.376 -11.162 1.00 0.00 C ATOM 1072 CG ARG A 68 17.878 -6.756 -12.558 1.00 0.00 C ATOM 1073 CD ARG A 68 16.807 -7.834 -12.511 1.00 0.00 C ATOM 1074 NE ARG A 68 16.909 -8.756 -13.640 1.00 0.00 N ATOM 1075 CZ ARG A 68 15.891 -9.479 -14.092 1.00 0.00 C ATOM 1076 NH1 ARG A 68 14.701 -9.388 -13.516 1.00 0.00 N ATOM 1077 NH2 ARG A 68 16.063 -10.296 -15.124 1.00 0.00 N ATOM 0 H ARG A 68 15.940 -5.923 -11.476 1.00 0.00 H new ATOM 0 HA ARG A 68 17.711 -5.146 -9.520 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.426 -6.221 -11.180 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.156 -7.208 -10.485 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.486 -5.874 -13.064 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.726 -7.109 -13.144 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.894 -8.392 -11.578 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.822 -7.367 -12.512 1.00 0.00 H new ATOM 0 HE ARG A 68 17.811 -8.849 -14.106 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.565 -8.761 -12.723 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.921 -9.945 -13.866 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.977 -10.369 -15.570 1.00 0.00 H new ATOM 0 HH22 ARG A 68 15.281 -10.851 -15.471 1.00 0.00 H new ATOM 1091 N HIS A 69 18.056 -3.403 -12.280 1.00 0.00 N ATOM 1092 CA HIS A 69 18.688 -2.220 -12.855 1.00 0.00 C ATOM 1093 C HIS A 69 19.050 -1.215 -11.767 1.00 0.00 C ATOM 1094 O HIS A 69 20.224 -0.912 -11.553 1.00 0.00 O ATOM 1095 CB HIS A 69 17.760 -1.568 -13.880 1.00 0.00 C ATOM 1096 CG HIS A 69 16.883 -2.544 -14.601 1.00 0.00 C ATOM 1097 ND1 HIS A 69 17.314 -3.792 -14.999 1.00 0.00 N ATOM 1098 CD2 HIS A 69 15.591 -2.451 -14.994 1.00 0.00 C ATOM 1099 CE1 HIS A 69 16.325 -4.423 -15.607 1.00 0.00 C ATOM 1100 NE2 HIS A 69 15.268 -3.631 -15.617 1.00 0.00 N ATOM 0 H HIS A 69 17.331 -3.819 -12.864 1.00 0.00 H new ATOM 0 HA HIS A 69 19.605 -2.534 -13.354 1.00 0.00 H new ATOM 0 HB2 HIS A 69 17.133 -0.834 -13.375 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.362 -1.026 -14.609 1.00 0.00 H new ATOM 0 HD2 HIS A 69 14.936 -1.605 -14.845 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.373 -5.418 -16.025 1.00 0.00 H new ATOM 0 HE2 HIS A 69 14.360 -3.859 -16.022 1.00 0.00 H new ATOM 1109 N SER A 70 18.034 -0.700 -11.081 1.00 0.00 N ATOM 1110 CA SER A 70 18.246 0.275 -10.018 1.00 0.00 C ATOM 1111 C SER A 70 18.128 -0.382 -8.646 1.00 0.00 C ATOM 1112 O SER A 70 18.302 0.269 -7.616 1.00 0.00 O ATOM 1113 CB SER A 70 17.235 1.418 -10.136 1.00 0.00 C ATOM 1114 OG SER A 70 15.931 0.984 -9.789 1.00 0.00 O ATOM 0 H SER A 70 17.056 -0.942 -11.243 1.00 0.00 H new ATOM 0 HA SER A 70 19.254 0.677 -10.124 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.533 2.240 -9.485 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.234 1.803 -11.156 1.00 0.00 H new ATOM 0 HG SER A 70 15.304 1.733 -9.871 1.00 0.00 H new ATOM 1120 N ARG A 71 17.831 -1.678 -8.642 1.00 0.00 N ATOM 1121 CA ARG A 71 17.689 -2.425 -7.398 1.00 0.00 C ATOM 1122 C ARG A 71 16.511 -1.901 -6.581 1.00 0.00 C ATOM 1123 O ARG A 71 16.573 -1.838 -5.353 1.00 0.00 O ATOM 1124 CB ARG A 71 18.975 -2.335 -6.574 1.00 0.00 C ATOM 1125 CG ARG A 71 20.196 -2.888 -7.289 1.00 0.00 C ATOM 1126 CD ARG A 71 21.278 -3.303 -6.304 1.00 0.00 C ATOM 1127 NE ARG A 71 22.618 -3.147 -6.865 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.256 -1.984 -6.930 1.00 0.00 C ATOM 1129 NH1 ARG A 71 22.680 -0.881 -6.472 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.473 -1.922 -7.454 1.00 0.00 N ATOM 0 H ARG A 71 17.684 -2.232 -9.486 1.00 0.00 H new ATOM 0 HA ARG A 71 17.499 -3.468 -7.650 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.158 -1.292 -6.314 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.836 -2.877 -5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 71 19.906 -3.746 -7.896 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.592 -2.135 -7.970 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.192 -2.704 -5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.125 -4.343 -6.014 1.00 0.00 H new ATOM 0 HE ARG A 71 23.089 -3.976 -7.226 1.00 0.00 H new ATOM 0 HH11 ARG A 71 21.744 -0.924 -6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 71 23.173 0.011 -6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 71 24.920 -2.768 -7.808 1.00 0.00 H new ATOM 0 HH22 ARG A 71 24.962 -1.028 -7.503 1.00 0.00 H new ATOM 1144 N VAL A 72 15.439 -1.527 -7.272 1.00 0.00 N ATOM 1145 CA VAL A 72 14.247 -1.009 -6.611 1.00 0.00 C ATOM 1146 C VAL A 72 13.026 -1.864 -6.931 1.00 0.00 C ATOM 1147 O VAL A 72 12.763 -2.179 -8.092 1.00 0.00 O ATOM 1148 CB VAL A 72 13.963 0.447 -7.025 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.678 0.945 -6.381 1.00 0.00 C ATOM 1150 CG2 VAL A 72 15.135 1.343 -6.657 1.00 0.00 C ATOM 0 H VAL A 72 15.371 -1.573 -8.289 1.00 0.00 H new ATOM 0 HA VAL A 72 14.440 -1.043 -5.539 1.00 0.00 H new ATOM 0 HB VAL A 72 13.835 0.480 -8.107 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.494 1.975 -6.685 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.845 0.318 -6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.773 0.899 -5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 72 14.917 2.368 -6.957 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.297 1.306 -5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.032 0.998 -7.170 1.00 0.00 H new ATOM 1160 N TYR A 73 12.283 -2.237 -5.895 1.00 0.00 N ATOM 1161 CA TYR A 73 11.090 -3.058 -6.066 1.00 0.00 C ATOM 1162 C TYR A 73 9.856 -2.187 -6.281 1.00 0.00 C ATOM 1163 O TYR A 73 9.701 -1.141 -5.650 1.00 0.00 O ATOM 1164 CB TYR A 73 10.886 -3.958 -4.846 1.00 0.00 C ATOM 1165 CG TYR A 73 11.846 -5.125 -4.787 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.194 -4.929 -4.513 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.404 -6.424 -5.005 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.074 -5.992 -4.460 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.277 -7.494 -4.951 1.00 0.00 C ATOM 1170 CZ TYR A 73 13.611 -7.273 -4.679 1.00 0.00 C ATOM 1171 OH TYR A 73 14.484 -8.335 -4.625 1.00 0.00 O ATOM 0 H TYR A 73 12.486 -1.984 -4.928 1.00 0.00 H new ATOM 0 HA TYR A 73 11.232 -3.681 -6.949 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.998 -3.360 -3.941 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.865 -4.339 -4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.560 -3.928 -4.338 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.361 -6.601 -5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.119 -5.821 -4.248 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.917 -8.498 -5.121 1.00 0.00 H new ATOM 0 HH TYR A 73 15.208 -8.132 -3.997 1.00 0.00 H new ATOM 1181 N THR A 74 8.979 -2.628 -7.178 1.00 0.00 N ATOM 1182 CA THR A 74 7.758 -1.890 -7.479 1.00 0.00 C ATOM 1183 C THR A 74 6.522 -2.746 -7.226 1.00 0.00 C ATOM 1184 O THR A 74 6.257 -3.703 -7.954 1.00 0.00 O ATOM 1185 CB THR A 74 7.741 -1.404 -8.941 1.00 0.00 C ATOM 1186 OG1 THR A 74 8.980 -0.759 -9.257 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.588 -0.441 -9.177 1.00 0.00 C ATOM 0 H THR A 74 9.091 -3.492 -7.708 1.00 0.00 H new ATOM 0 HA THR A 74 7.740 -1.025 -6.816 1.00 0.00 H new ATOM 0 HB THR A 74 7.608 -2.271 -9.588 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.962 -0.454 -10.188 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.596 -0.111 -10.216 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.645 -0.944 -8.963 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.696 0.423 -8.521 1.00 0.00 H new ATOM 1195 N PHE A 75 5.768 -2.396 -6.189 1.00 0.00 N ATOM 1196 CA PHE A 75 4.559 -3.132 -5.840 1.00 0.00 C ATOM 1197 C PHE A 75 3.314 -2.288 -6.095 1.00 0.00 C ATOM 1198 O PHE A 75 3.279 -1.102 -5.767 1.00 0.00 O ATOM 1199 CB PHE A 75 4.605 -3.563 -4.372 1.00 0.00 C ATOM 1200 CG PHE A 75 5.916 -4.176 -3.968 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.183 -5.509 -4.233 1.00 0.00 C ATOM 1202 CD2 PHE A 75 6.880 -3.418 -3.323 1.00 0.00 C ATOM 1203 CE1 PHE A 75 7.388 -6.076 -3.862 1.00 0.00 C ATOM 1204 CE2 PHE A 75 8.087 -3.979 -2.950 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.341 -5.310 -3.219 1.00 0.00 C ATOM 0 H PHE A 75 5.973 -1.607 -5.576 1.00 0.00 H new ATOM 0 HA PHE A 75 4.510 -4.019 -6.471 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.408 -2.696 -3.741 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.805 -4.280 -4.187 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.441 -6.112 -4.735 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.686 -2.377 -3.109 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.584 -7.117 -4.075 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.831 -3.377 -2.449 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.283 -5.751 -2.927 1.00 0.00 H new ATOM 1215 N GLU A 76 2.296 -2.907 -6.683 1.00 0.00 N ATOM 1216 CA GLU A 76 1.050 -2.212 -6.984 1.00 0.00 C ATOM 1217 C GLU A 76 -0.152 -3.011 -6.488 1.00 0.00 C ATOM 1218 O GLU A 76 -0.026 -4.180 -6.126 1.00 0.00 O ATOM 1219 CB GLU A 76 0.928 -1.966 -8.489 1.00 0.00 C ATOM 1220 CG GLU A 76 2.212 -1.470 -9.131 1.00 0.00 C ATOM 1221 CD GLU A 76 3.235 -2.574 -9.319 1.00 0.00 C ATOM 1222 OE1 GLU A 76 3.127 -3.320 -10.314 1.00 0.00 O ATOM 1223 OE2 GLU A 76 4.143 -2.691 -8.470 1.00 0.00 O ATOM 0 H GLU A 76 2.309 -3.888 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 76 1.065 -1.253 -6.467 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.622 -2.892 -8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.138 -1.237 -8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.981 -1.025 -10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.642 -0.682 -8.512 1.00 0.00 H new ATOM 1230 N MET A 77 -1.316 -2.370 -6.476 1.00 0.00 N ATOM 1231 CA MET A 77 -2.541 -3.021 -6.026 1.00 0.00 C ATOM 1232 C MET A 77 -3.695 -2.728 -6.980 1.00 0.00 C ATOM 1233 O MET A 77 -4.282 -1.647 -6.945 1.00 0.00 O ATOM 1234 CB MET A 77 -2.902 -2.556 -4.614 1.00 0.00 C ATOM 1235 CG MET A 77 -4.088 -3.295 -4.015 1.00 0.00 C ATOM 1236 SD MET A 77 -4.184 -3.117 -2.223 1.00 0.00 S ATOM 1237 CE MET A 77 -4.739 -1.420 -2.081 1.00 0.00 C ATOM 0 H MET A 77 -1.437 -1.402 -6.772 1.00 0.00 H new ATOM 0 HA MET A 77 -2.367 -4.097 -6.014 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.037 -2.688 -3.965 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.123 -1.489 -4.637 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.008 -2.921 -4.463 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.017 -4.353 -4.268 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.148 -1.253 -1.085 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.897 -0.747 -2.245 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.510 -1.226 -2.827 1.00 0.00 H new ATOM 1247 N GLN A 78 -4.013 -3.698 -7.832 1.00 0.00 N ATOM 1248 CA GLN A 78 -5.096 -3.542 -8.796 1.00 0.00 C ATOM 1249 C GLN A 78 -6.431 -3.957 -8.187 1.00 0.00 C ATOM 1250 O GLN A 78 -6.667 -5.138 -7.931 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.814 -4.372 -10.050 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.216 -3.679 -11.341 1.00 0.00 C ATOM 1253 CD GLN A 78 -5.041 -4.565 -12.559 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -5.999 -4.846 -13.279 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -3.813 -5.011 -12.795 1.00 0.00 N ATOM 0 H GLN A 78 -3.537 -4.599 -7.874 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.155 -2.489 -9.071 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.750 -4.606 -10.089 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.346 -5.320 -9.975 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.258 -3.366 -11.271 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.619 -2.776 -11.465 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.048 -4.753 -12.172 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.634 -5.612 -13.600 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.300 -2.979 -7.958 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.612 -3.243 -7.379 1.00 0.00 C ATOM 1266 C ILE A 79 -9.699 -3.217 -8.448 1.00 0.00 C ATOM 1267 O ILE A 79 -9.969 -2.175 -9.047 1.00 0.00 O ATOM 1268 CB ILE A 79 -8.960 -2.220 -6.283 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -7.905 -2.247 -5.175 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.342 -2.504 -5.712 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.420 -1.762 -3.838 1.00 0.00 C ATOM 0 H ILE A 79 -7.120 -1.996 -8.164 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.567 -4.237 -6.934 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.969 -1.224 -6.727 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.532 -3.265 -5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.059 -1.629 -5.475 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.573 -1.772 -4.938 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.085 -2.439 -6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.359 -3.505 -5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.619 -1.809 -3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.766 -0.733 -3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.247 -2.395 -3.515 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.321 -4.368 -8.680 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.382 -4.475 -9.674 1.00 0.00 C ATOM 1285 C ILE A 80 -12.757 -4.448 -9.016 1.00 0.00 C ATOM 1286 O ILE A 80 -12.987 -5.109 -8.004 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.247 -5.766 -10.503 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.782 -6.014 -10.868 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -12.105 -5.682 -11.757 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -9.081 -6.976 -9.935 1.00 0.00 C ATOM 0 H ILE A 80 -10.109 -5.239 -8.194 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.282 -3.615 -10.336 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.598 -6.605 -9.902 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.730 -6.404 -11.885 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.249 -5.063 -10.864 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.999 -6.602 -12.333 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.149 -5.549 -11.475 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.782 -4.836 -12.363 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.047 -7.104 -10.254 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.101 -6.578 -8.920 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.590 -7.940 -9.957 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.671 -3.679 -9.599 1.00 0.00 N ATOM 1303 CA LYS A 81 -15.026 -3.566 -9.073 1.00 0.00 C ATOM 1304 C LYS A 81 -15.009 -3.072 -7.630 1.00 0.00 C ATOM 1305 O LYS A 81 -15.668 -3.643 -6.761 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.740 -4.917 -9.153 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.806 -5.488 -10.559 1.00 0.00 C ATOM 1308 CD LYS A 81 -17.018 -6.386 -10.740 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.905 -7.229 -12.001 1.00 0.00 C ATOM 1310 NZ LYS A 81 -18.176 -7.942 -12.307 1.00 0.00 N ATOM 0 H LYS A 81 -13.497 -3.124 -10.437 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.566 -2.840 -9.681 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.228 -5.628 -8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.753 -4.806 -8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.845 -4.673 -11.282 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.898 -6.055 -10.765 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.121 -7.039 -9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.920 -5.776 -10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.635 -6.590 -12.842 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.101 -7.955 -11.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.058 -8.505 -13.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.420 -8.571 -11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.938 -7.248 -12.446 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.254 -2.007 -7.382 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.155 -1.435 -6.045 1.00 0.00 C ATOM 1326 C ALA A 82 -15.537 -1.162 -5.462 1.00 0.00 C ATOM 1327 O ALA A 82 -16.262 -0.287 -5.937 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.332 -0.156 -6.078 1.00 0.00 C ATOM 0 H ALA A 82 -13.702 -1.523 -8.090 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.655 -2.159 -5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.266 0.260 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.330 -0.378 -6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.809 0.567 -6.740 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.898 -1.916 -4.429 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.193 -1.755 -3.779 1.00 0.00 C ATOM 1336 C LYS A 83 -17.125 -0.697 -2.682 1.00 0.00 C ATOM 1337 O LYS A 83 -16.043 -0.358 -2.201 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.659 -3.088 -3.188 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.425 -4.275 -4.106 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.540 -5.591 -3.356 1.00 0.00 C ATOM 1341 CE LYS A 83 -16.920 -6.737 -4.141 1.00 0.00 C ATOM 1342 NZ LYS A 83 -17.653 -7.001 -5.410 1.00 0.00 N ATOM 0 H LYS A 83 -15.311 -2.645 -4.024 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.910 -1.427 -4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.139 -3.260 -2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.722 -3.022 -2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -18.149 -4.255 -4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.436 -4.198 -4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.047 -5.503 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.590 -5.809 -3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -15.879 -6.503 -4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -16.919 -7.638 -3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.044 -7.964 -5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -18.428 -6.315 -5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -17.000 -6.909 -6.214 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.284 -0.181 -2.291 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.356 0.836 -1.249 1.00 0.00 C ATOM 1358 C ASP A 84 -17.675 0.355 0.028 1.00 0.00 C ATOM 1359 O ASP A 84 -17.288 1.157 0.877 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.813 1.198 -0.959 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.407 2.104 -2.020 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -19.844 3.194 -2.253 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -21.435 1.722 -2.618 1.00 0.00 O ATOM 0 H ASP A 84 -19.188 -0.450 -2.680 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.834 1.724 -1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -20.405 0.285 -0.892 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -19.876 1.690 0.012 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.532 -0.960 0.158 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.899 -1.549 1.332 1.00 0.00 C ATOM 1370 C ASN A 85 -15.387 -1.353 1.290 1.00 0.00 C ATOM 1371 O ASN A 85 -14.716 -1.394 2.322 1.00 0.00 O ATOM 1372 CB ASN A 85 -17.230 -3.040 1.422 1.00 0.00 C ATOM 1373 CG ASN A 85 -18.620 -3.292 1.973 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -19.338 -2.357 2.328 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -19.005 -4.561 2.048 1.00 0.00 N ATOM 0 H ASN A 85 -17.846 -1.638 -0.536 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.288 -1.044 2.216 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -17.148 -3.488 0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -16.495 -3.535 2.057 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -19.929 -4.793 2.411 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -18.376 -5.304 1.742 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.856 -1.141 0.091 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.423 -0.939 -0.087 1.00 0.00 C ATOM 1384 C PHE A 86 -12.992 0.416 0.467 1.00 0.00 C ATOM 1385 O PHE A 86 -11.809 0.649 0.716 1.00 0.00 O ATOM 1386 CB PHE A 86 -13.051 -1.039 -1.568 1.00 0.00 C ATOM 1387 CG PHE A 86 -13.087 -2.443 -2.101 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -14.184 -3.257 -1.872 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -12.024 -2.948 -2.832 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -14.219 -4.550 -2.360 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -12.053 -4.239 -3.323 1.00 0.00 C ATOM 1392 CZ PHE A 86 -13.153 -5.041 -3.088 1.00 0.00 C ATOM 0 H PHE A 86 -15.397 -1.105 -0.773 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.901 -1.721 0.465 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.735 -0.421 -2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.051 -0.630 -1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -15.022 -2.877 -1.306 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.162 -2.325 -3.020 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -15.079 -5.176 -2.172 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.217 -4.621 -3.890 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.179 -6.050 -3.473 1.00 0.00 H new ATOM 1402 N ALA A 87 -13.960 1.307 0.656 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.682 2.638 1.181 1.00 0.00 C ATOM 1404 C ALA A 87 -13.384 2.587 2.675 1.00 0.00 C ATOM 1405 O ALA A 87 -14.270 2.326 3.487 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.854 3.569 0.906 1.00 0.00 C ATOM 0 H ALA A 87 -14.944 1.131 0.453 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.798 3.025 0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.633 4.560 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.019 3.638 -0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.750 3.177 1.387 1.00 0.00 H new ATOM 1412 N GLY A 88 -12.127 2.838 3.032 1.00 0.00 N ATOM 1413 CA GLY A 88 -11.734 2.815 4.429 1.00 0.00 C ATOM 1414 C GLY A 88 -10.259 3.104 4.620 1.00 0.00 C ATOM 1415 O GLY A 88 -9.615 3.684 3.748 1.00 0.00 O ATOM 0 H GLY A 88 -11.375 3.057 2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.320 3.551 4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.968 1.839 4.853 1.00 0.00 H new ATOM 1419 N ASN A 89 -9.722 2.699 5.767 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.313 2.919 6.072 1.00 0.00 C ATOM 1421 C ASN A 89 -7.451 1.797 5.502 1.00 0.00 C ATOM 1422 O ASN A 89 -7.767 0.617 5.658 1.00 0.00 O ATOM 1423 CB ASN A 89 -8.106 3.018 7.585 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.686 3.402 7.950 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.044 2.743 8.768 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -6.188 4.473 7.343 1.00 0.00 N ATOM 0 H ASN A 89 -10.242 2.217 6.500 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.009 3.858 5.608 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.796 3.755 7.996 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.351 2.061 8.046 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.237 4.779 7.548 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.756 4.989 6.672 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.362 2.173 4.841 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.455 1.199 4.246 1.00 0.00 C ATOM 1435 C TYR A 90 -4.056 1.321 4.842 1.00 0.00 C ATOM 1436 O TYR A 90 -3.454 2.395 4.826 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.393 1.388 2.729 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.588 0.818 1.999 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.865 1.319 2.218 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.439 -0.222 1.089 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -8.960 0.800 1.553 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.528 -0.746 0.419 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.786 -0.232 0.655 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.873 -0.750 -0.010 1.00 0.00 O ATOM 0 H TYR A 90 -6.086 3.145 4.704 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.838 0.203 4.466 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.316 2.452 2.507 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.487 0.916 2.349 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.005 2.128 2.920 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.456 -0.627 0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.946 1.200 1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.395 -1.554 -0.286 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.591 -0.083 -0.033 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.545 0.213 5.368 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.217 0.195 5.970 1.00 0.00 C ATOM 1456 C ARG A 91 -1.271 -0.700 5.175 1.00 0.00 C ATOM 1457 O ARG A 91 -1.524 -1.894 5.009 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.298 -0.289 7.419 1.00 0.00 C ATOM 1459 CG ARG A 91 -0.960 -0.276 8.141 1.00 0.00 C ATOM 1460 CD ARG A 91 -1.062 -0.921 9.515 1.00 0.00 C ATOM 1461 NE ARG A 91 0.242 -1.042 10.161 1.00 0.00 N ATOM 1462 CZ ARG A 91 0.401 -1.328 11.448 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -0.657 -1.521 12.223 1.00 0.00 N ATOM 1464 NH2 ARG A 91 1.621 -1.421 11.963 1.00 0.00 N ATOM 0 H ARG A 91 -4.030 -0.684 5.390 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.825 1.212 5.955 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.002 0.340 7.964 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.699 -1.302 7.433 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.218 -0.805 7.544 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.611 0.752 8.245 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.725 -0.328 10.145 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.512 -1.909 9.419 1.00 0.00 H new ATOM 0 HE ARG A 91 1.077 -0.899 9.592 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.596 -1.450 11.831 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.532 -1.741 13.211 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.438 -1.273 11.370 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.742 -1.641 12.952 1.00 0.00 H new ATOM 1478 N CYS A 92 -0.183 -0.116 4.687 1.00 0.00 N ATOM 1479 CA CYS A 92 0.800 -0.860 3.908 1.00 0.00 C ATOM 1480 C CYS A 92 2.054 -1.133 4.733 1.00 0.00 C ATOM 1481 O CYS A 92 2.623 -0.222 5.334 1.00 0.00 O ATOM 1482 CB CYS A 92 1.167 -0.088 2.640 1.00 0.00 C ATOM 1483 SG CYS A 92 1.998 1.487 2.949 1.00 0.00 S ATOM 0 H CYS A 92 0.041 0.871 4.817 1.00 0.00 H new ATOM 0 HA CYS A 92 0.357 -1.815 3.627 1.00 0.00 H new ATOM 0 HB2 CYS A 92 1.813 -0.712 2.022 1.00 0.00 H new ATOM 0 HB3 CYS A 92 0.259 0.099 2.066 1.00 0.00 H new ATOM 0 HG CYS A 92 2.269 2.064 1.816 1.00 0.00 H new ATOM 1489 N GLU A 93 2.478 -2.393 4.758 1.00 0.00 N ATOM 1490 CA GLU A 93 3.663 -2.785 5.512 1.00 0.00 C ATOM 1491 C GLU A 93 4.562 -3.694 4.678 1.00 0.00 C ATOM 1492 O GLU A 93 4.163 -4.792 4.290 1.00 0.00 O ATOM 1493 CB GLU A 93 3.260 -3.495 6.805 1.00 0.00 C ATOM 1494 CG GLU A 93 2.603 -2.578 7.824 1.00 0.00 C ATOM 1495 CD GLU A 93 2.191 -3.309 9.087 1.00 0.00 C ATOM 1496 OE1 GLU A 93 1.136 -3.976 9.070 1.00 0.00 O ATOM 1497 OE2 GLU A 93 2.926 -3.214 10.093 1.00 0.00 O ATOM 0 H GLU A 93 2.019 -3.159 4.265 1.00 0.00 H new ATOM 0 HA GLU A 93 4.220 -1.881 5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.574 -4.308 6.565 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.145 -3.947 7.253 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.293 -1.775 8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.725 -2.112 7.376 1.00 0.00 H new ATOM 1504 N VAL A 94 5.776 -3.227 4.407 1.00 0.00 N ATOM 1505 CA VAL A 94 6.733 -3.997 3.620 1.00 0.00 C ATOM 1506 C VAL A 94 8.121 -3.956 4.249 1.00 0.00 C ATOM 1507 O VAL A 94 8.770 -2.910 4.281 1.00 0.00 O ATOM 1508 CB VAL A 94 6.820 -3.474 2.174 1.00 0.00 C ATOM 1509 CG1 VAL A 94 7.039 -1.969 2.163 1.00 0.00 C ATOM 1510 CG2 VAL A 94 7.930 -4.188 1.416 1.00 0.00 C ATOM 0 H VAL A 94 6.121 -2.320 4.720 1.00 0.00 H new ATOM 0 HA VAL A 94 6.375 -5.026 3.605 1.00 0.00 H new ATOM 0 HB VAL A 94 5.875 -3.683 1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.098 -1.617 1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.208 -1.477 2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.969 -1.733 2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 94 7.978 -3.807 0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 94 8.883 -4.011 1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.725 -5.258 1.394 1.00 0.00 H new ATOM 1520 N THR A 95 8.572 -5.102 4.749 1.00 0.00 N ATOM 1521 CA THR A 95 9.884 -5.198 5.378 1.00 0.00 C ATOM 1522 C THR A 95 10.944 -5.638 4.375 1.00 0.00 C ATOM 1523 O THR A 95 10.634 -6.280 3.371 1.00 0.00 O ATOM 1524 CB THR A 95 9.869 -6.186 6.559 1.00 0.00 C ATOM 1525 OG1 THR A 95 8.818 -5.845 7.470 1.00 0.00 O ATOM 1526 CG2 THR A 95 11.204 -6.175 7.290 1.00 0.00 C ATOM 0 H THR A 95 8.048 -5.977 4.731 1.00 0.00 H new ATOM 0 HA THR A 95 10.130 -4.203 5.749 1.00 0.00 H new ATOM 0 HB THR A 95 9.696 -7.187 6.164 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.879 -4.894 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.170 -6.880 8.120 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.998 -6.463 6.601 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.401 -5.174 7.673 1.00 0.00 H new ATOM 1534 N TYR A 96 12.195 -5.291 4.653 1.00 0.00 N ATOM 1535 CA TYR A 96 13.302 -5.649 3.773 1.00 0.00 C ATOM 1536 C TYR A 96 14.287 -6.571 4.485 1.00 0.00 C ATOM 1537 O TYR A 96 14.343 -7.770 4.210 1.00 0.00 O ATOM 1538 CB TYR A 96 14.023 -4.390 3.288 1.00 0.00 C ATOM 1539 CG TYR A 96 15.149 -4.673 2.319 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.996 -5.603 1.298 1.00 0.00 C ATOM 1541 CD2 TYR A 96 16.365 -4.010 2.424 1.00 0.00 C ATOM 1542 CE1 TYR A 96 16.022 -5.865 0.411 1.00 0.00 C ATOM 1543 CE2 TYR A 96 17.396 -4.265 1.541 1.00 0.00 C ATOM 1544 CZ TYR A 96 17.220 -5.193 0.536 1.00 0.00 C ATOM 1545 OH TYR A 96 18.244 -5.451 -0.346 1.00 0.00 O ATOM 0 H TYR A 96 12.469 -4.762 5.481 1.00 0.00 H new ATOM 0 HA TYR A 96 12.893 -6.179 2.913 1.00 0.00 H new ATOM 0 HB2 TYR A 96 13.300 -3.729 2.809 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.422 -3.855 4.150 1.00 0.00 H new ATOM 0 HD1 TYR A 96 14.059 -6.130 1.196 1.00 0.00 H new ATOM 0 HD2 TYR A 96 16.507 -3.283 3.210 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.887 -6.592 -0.376 1.00 0.00 H new ATOM 0 HE2 TYR A 96 18.335 -3.740 1.637 1.00 0.00 H new ATOM 0 HH TYR A 96 17.877 -5.834 -1.170 1.00 0.00 H new ATOM 1555 N LYS A 97 15.062 -6.003 5.402 1.00 0.00 N ATOM 1556 CA LYS A 97 16.045 -6.772 6.156 1.00 0.00 C ATOM 1557 C LYS A 97 15.759 -6.701 7.653 1.00 0.00 C ATOM 1558 O LYS A 97 15.232 -7.647 8.239 1.00 0.00 O ATOM 1559 CB LYS A 97 17.456 -6.254 5.871 1.00 0.00 C ATOM 1560 CG LYS A 97 17.892 -6.438 4.428 1.00 0.00 C ATOM 1561 CD LYS A 97 19.025 -5.494 4.062 1.00 0.00 C ATOM 1562 CE LYS A 97 20.383 -6.137 4.299 1.00 0.00 C ATOM 1563 NZ LYS A 97 21.499 -5.179 4.061 1.00 0.00 N ATOM 0 H LYS A 97 15.029 -5.012 5.641 1.00 0.00 H new ATOM 0 HA LYS A 97 15.976 -7.813 5.839 1.00 0.00 H new ATOM 0 HB2 LYS A 97 17.503 -5.195 6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 97 18.161 -6.769 6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.211 -7.468 4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.044 -6.264 3.766 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.936 -5.205 3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.945 -4.581 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 97 20.435 -6.509 5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 97 20.497 -6.998 3.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 22.408 -5.655 4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 21.465 -4.843 3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 21.405 -4.369 4.707 1.00 0.00 H new ATOM 1577 N ASP A 98 16.108 -5.575 8.265 1.00 0.00 N ATOM 1578 CA ASP A 98 15.886 -5.380 9.693 1.00 0.00 C ATOM 1579 C ASP A 98 15.014 -4.153 9.945 1.00 0.00 C ATOM 1580 O ASP A 98 14.061 -4.205 10.722 1.00 0.00 O ATOM 1581 CB ASP A 98 17.222 -5.230 10.422 1.00 0.00 C ATOM 1582 CG ASP A 98 17.800 -6.565 10.851 1.00 0.00 C ATOM 1583 OD1 ASP A 98 17.886 -7.475 10.000 1.00 0.00 O ATOM 1584 OD2 ASP A 98 18.167 -6.698 12.037 1.00 0.00 O ATOM 0 H ASP A 98 16.546 -4.783 7.794 1.00 0.00 H new ATOM 0 HA ASP A 98 15.367 -6.258 10.078 1.00 0.00 H new ATOM 0 HB2 ASP A 98 17.933 -4.722 9.771 1.00 0.00 H new ATOM 0 HB3 ASP A 98 17.085 -4.598 11.299 1.00 0.00 H new ATOM 1589 N LYS A 99 15.349 -3.050 9.283 1.00 0.00 N ATOM 1590 CA LYS A 99 14.598 -1.810 9.434 1.00 0.00 C ATOM 1591 C LYS A 99 13.763 -1.524 8.190 1.00 0.00 C ATOM 1592 O LYS A 99 14.297 -1.398 7.088 1.00 0.00 O ATOM 1593 CB LYS A 99 15.550 -0.642 9.702 1.00 0.00 C ATOM 1594 CG LYS A 99 16.583 -0.933 10.777 1.00 0.00 C ATOM 1595 CD LYS A 99 17.860 -0.142 10.552 1.00 0.00 C ATOM 1596 CE LYS A 99 18.720 -0.768 9.465 1.00 0.00 C ATOM 1597 NZ LYS A 99 19.349 -2.039 9.919 1.00 0.00 N ATOM 0 H LYS A 99 16.136 -2.990 8.637 1.00 0.00 H new ATOM 0 HA LYS A 99 13.925 -1.924 10.283 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.064 -0.384 8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.967 0.231 9.997 1.00 0.00 H new ATOM 0 HG2 LYS A 99 16.170 -0.688 11.756 1.00 0.00 H new ATOM 0 HG3 LYS A 99 16.811 -1.999 10.785 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.611 0.882 10.275 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.427 -0.092 11.482 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.108 -0.960 8.584 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.497 -0.064 9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.373 -2.001 9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.177 -2.168 10.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.937 -2.837 9.395 1.00 0.00 H new ATOM 1611 N PHE A 100 12.451 -1.422 8.374 1.00 0.00 N ATOM 1612 CA PHE A 100 11.543 -1.150 7.266 1.00 0.00 C ATOM 1613 C PHE A 100 10.749 0.129 7.514 1.00 0.00 C ATOM 1614 O PHE A 100 10.788 0.694 8.608 1.00 0.00 O ATOM 1615 CB PHE A 100 10.585 -2.326 7.064 1.00 0.00 C ATOM 1616 CG PHE A 100 9.459 -2.360 8.057 1.00 0.00 C ATOM 1617 CD1 PHE A 100 9.689 -2.731 9.372 1.00 0.00 C ATOM 1618 CD2 PHE A 100 8.171 -2.021 7.676 1.00 0.00 C ATOM 1619 CE1 PHE A 100 8.654 -2.763 10.288 1.00 0.00 C ATOM 1620 CE2 PHE A 100 7.132 -2.052 8.587 1.00 0.00 C ATOM 1621 CZ PHE A 100 7.375 -2.423 9.895 1.00 0.00 C ATOM 0 H PHE A 100 11.993 -1.524 9.280 1.00 0.00 H new ATOM 0 HA PHE A 100 12.141 -1.017 6.364 1.00 0.00 H new ATOM 0 HB2 PHE A 100 10.170 -2.277 6.057 1.00 0.00 H new ATOM 0 HB3 PHE A 100 11.147 -3.258 7.132 1.00 0.00 H new ATOM 0 HD1 PHE A 100 10.688 -2.998 9.685 1.00 0.00 H new ATOM 0 HD2 PHE A 100 7.976 -1.729 6.655 1.00 0.00 H new ATOM 0 HE1 PHE A 100 8.846 -3.054 11.310 1.00 0.00 H new ATOM 0 HE2 PHE A 100 6.132 -1.787 8.277 1.00 0.00 H new ATOM 0 HZ PHE A 100 6.565 -2.447 10.609 1.00 0.00 H new ATOM 1631 N ASP A 101 10.031 0.580 6.492 1.00 0.00 N ATOM 1632 CA ASP A 101 9.227 1.793 6.598 1.00 0.00 C ATOM 1633 C ASP A 101 7.842 1.581 5.995 1.00 0.00 C ATOM 1634 O ASP A 101 7.704 1.368 4.791 1.00 0.00 O ATOM 1635 CB ASP A 101 9.928 2.958 5.899 1.00 0.00 C ATOM 1636 CG ASP A 101 10.911 3.671 6.806 1.00 0.00 C ATOM 1637 OD1 ASP A 101 11.631 2.982 7.560 1.00 0.00 O ATOM 1638 OD2 ASP A 101 10.962 4.918 6.762 1.00 0.00 O ATOM 0 H ASP A 101 9.989 0.124 5.580 1.00 0.00 H new ATOM 0 HA ASP A 101 9.111 2.031 7.655 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.454 2.587 5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 101 9.181 3.669 5.547 1.00 0.00 H new ATOM 1643 N SER A 102 6.818 1.640 6.842 1.00 0.00 N ATOM 1644 CA SER A 102 5.444 1.449 6.393 1.00 0.00 C ATOM 1645 C SER A 102 4.703 2.781 6.333 1.00 0.00 C ATOM 1646 O SER A 102 5.203 3.804 6.803 1.00 0.00 O ATOM 1647 CB SER A 102 4.709 0.486 7.327 1.00 0.00 C ATOM 1648 OG SER A 102 4.936 0.820 8.686 1.00 0.00 O ATOM 0 H SER A 102 6.914 1.818 7.842 1.00 0.00 H new ATOM 0 HA SER A 102 5.471 1.022 5.391 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.640 0.515 7.116 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.044 -0.534 7.139 1.00 0.00 H new ATOM 0 HG SER A 102 4.454 0.191 9.262 1.00 0.00 H new ATOM 1654 N CYS A 103 3.508 2.761 5.753 1.00 0.00 N ATOM 1655 CA CYS A 103 2.697 3.967 5.630 1.00 0.00 C ATOM 1656 C CYS A 103 1.210 3.631 5.694 1.00 0.00 C ATOM 1657 O CYS A 103 0.831 2.463 5.775 1.00 0.00 O ATOM 1658 CB CYS A 103 3.013 4.688 4.319 1.00 0.00 C ATOM 1659 SG CYS A 103 2.768 6.478 4.383 1.00 0.00 S ATOM 0 H CYS A 103 3.079 1.923 5.361 1.00 0.00 H new ATOM 0 HA CYS A 103 2.939 4.624 6.465 1.00 0.00 H new ATOM 0 HB2 CYS A 103 4.048 4.483 4.045 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.386 4.274 3.529 1.00 0.00 H new ATOM 0 HG CYS A 103 2.435 6.913 3.204 1.00 0.00 H new ATOM 1665 N SER A 104 0.374 4.663 5.658 1.00 0.00 N ATOM 1666 CA SER A 104 -1.072 4.478 5.718 1.00 0.00 C ATOM 1667 C SER A 104 -1.784 5.464 4.797 1.00 0.00 C ATOM 1668 O SER A 104 -1.429 6.641 4.736 1.00 0.00 O ATOM 1669 CB SER A 104 -1.571 4.651 7.153 1.00 0.00 C ATOM 1670 OG SER A 104 -1.289 5.953 7.637 1.00 0.00 O ATOM 0 H SER A 104 0.672 5.636 5.588 1.00 0.00 H new ATOM 0 HA SER A 104 -1.298 3.466 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.645 4.470 7.192 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.099 3.910 7.798 1.00 0.00 H new ATOM 0 HG SER A 104 -1.619 6.039 8.556 1.00 0.00 H new ATOM 1676 N PHE A 105 -2.791 4.974 4.081 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.553 5.811 3.162 1.00 0.00 C ATOM 1678 C PHE A 105 -5.046 5.513 3.267 1.00 0.00 C ATOM 1679 O PHE A 105 -5.445 4.413 3.650 1.00 0.00 O ATOM 1680 CB PHE A 105 -3.078 5.590 1.724 1.00 0.00 C ATOM 1681 CG PHE A 105 -3.119 4.152 1.293 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -2.247 3.226 1.842 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -4.029 3.727 0.339 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -2.282 1.901 1.447 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -4.068 2.404 -0.059 1.00 0.00 C ATOM 1686 CZ PHE A 105 -3.193 1.490 0.495 1.00 0.00 C ATOM 0 H PHE A 105 -3.098 4.002 4.120 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.387 6.853 3.436 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.699 6.181 1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.058 5.961 1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.532 3.542 2.587 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.715 4.437 -0.098 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.597 1.189 1.883 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.783 2.085 -0.803 1.00 0.00 H new ATOM 0 HZ PHE A 105 -3.222 0.456 0.184 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.866 6.501 2.925 1.00 0.00 N ATOM 1697 CA ASP A 106 -7.315 6.346 2.980 1.00 0.00 C ATOM 1698 C ASP A 106 -7.901 6.214 1.577 1.00 0.00 C ATOM 1699 O ASP A 106 -7.583 7.001 0.684 1.00 0.00 O ATOM 1700 CB ASP A 106 -7.949 7.536 3.701 1.00 0.00 C ATOM 1701 CG ASP A 106 -8.056 8.761 2.815 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -7.066 9.517 2.727 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -9.129 8.965 2.210 1.00 0.00 O ATOM 0 H ASP A 106 -5.552 7.418 2.607 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.538 5.434 3.535 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.943 7.257 4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.357 7.780 4.583 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.756 5.215 1.391 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.386 4.979 0.096 1.00 0.00 C ATOM 1710 C LEU A 107 -10.869 5.336 0.139 1.00 0.00 C ATOM 1711 O LEU A 107 -11.611 4.839 0.985 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.213 3.517 -0.319 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.698 3.156 -1.723 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -11.218 3.178 -1.785 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -9.107 4.107 -2.753 1.00 0.00 C ATOM 0 H LEU A 107 -9.029 4.555 2.120 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.898 5.619 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.156 3.262 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.743 2.891 0.399 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.360 2.146 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.545 2.919 -2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.622 2.456 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.578 4.175 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.463 3.835 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.414 5.128 -2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.019 4.041 -2.727 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.292 6.197 -0.780 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.687 6.618 -0.847 1.00 0.00 C ATOM 1729 C GLU A 108 -13.403 5.945 -2.015 1.00 0.00 C ATOM 1730 O GLU A 108 -12.781 5.586 -3.015 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.777 8.139 -0.988 1.00 0.00 C ATOM 1732 CG GLU A 108 -12.792 8.874 0.342 1.00 0.00 C ATOM 1733 CD GLU A 108 -12.887 10.378 0.177 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -12.312 10.906 -0.797 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -13.537 11.027 1.023 1.00 0.00 O ATOM 0 H GLU A 108 -10.690 6.617 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.176 6.316 0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.931 8.491 -1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.681 8.391 -1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.636 8.524 0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.887 8.630 0.898 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.714 5.777 -1.879 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.516 5.148 -2.922 1.00 0.00 C ATOM 1744 C VAL A 109 -16.797 5.934 -3.180 1.00 0.00 C ATOM 1745 O VAL A 109 -17.616 6.119 -2.280 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.882 3.699 -2.550 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.598 3.016 -3.706 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.638 2.921 -2.149 1.00 0.00 C ATOM 0 H VAL A 109 -15.244 6.068 -1.057 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.909 5.141 -3.827 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.559 3.722 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.849 1.993 -3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.511 3.562 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.947 3.003 -4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.916 1.899 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.935 2.905 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.171 3.400 -1.288 1.00 0.00 H new ATOM 1758 N HIS A 110 -16.963 6.394 -4.416 1.00 0.00 N ATOM 1759 CA HIS A 110 -18.146 7.160 -4.794 1.00 0.00 C ATOM 1760 C HIS A 110 -19.120 6.297 -5.590 1.00 0.00 C ATOM 1761 O HIS A 110 -18.709 5.417 -6.345 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.744 8.386 -5.614 1.00 0.00 C ATOM 1763 CG HIS A 110 -16.984 9.410 -4.828 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -16.790 10.703 -5.265 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.368 9.324 -3.625 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -16.087 11.369 -4.366 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -15.819 10.555 -3.361 1.00 0.00 N ATOM 0 H HIS A 110 -16.294 6.250 -5.172 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.643 7.490 -3.882 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -17.136 8.064 -6.459 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.642 8.848 -6.025 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.318 8.451 -2.992 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -15.783 12.403 -4.440 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.290 10.801 -2.524 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.412 6.557 -5.416 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.444 5.803 -6.118 1.00 0.00 C ATOM 1778 C GLU A 111 -21.407 6.094 -7.615 1.00 0.00 C ATOM 1779 O GLU A 111 -21.475 7.249 -8.035 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.826 6.141 -5.555 1.00 0.00 C ATOM 1781 CG GLU A 111 -22.994 5.770 -4.091 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.435 5.867 -3.627 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -24.857 6.974 -3.232 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -25.139 4.836 -3.658 1.00 0.00 O ATOM 0 H GLU A 111 -20.769 7.284 -4.795 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.248 4.741 -5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -23.006 7.210 -5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.585 5.623 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.633 4.754 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.374 6.426 -3.480 1.00 0.00 H new ATOM 1791 N SER A 112 -21.298 5.038 -8.415 1.00 0.00 N ATOM 1792 CA SER A 112 -21.248 5.180 -9.865 1.00 0.00 C ATOM 1793 C SER A 112 -22.610 5.587 -10.419 1.00 0.00 C ATOM 1794 O SER A 112 -23.646 5.071 -9.996 1.00 0.00 O ATOM 1795 CB SER A 112 -20.793 3.870 -10.511 1.00 0.00 C ATOM 1796 OG SER A 112 -20.791 3.972 -11.925 1.00 0.00 O ATOM 0 H SER A 112 -21.243 4.075 -8.083 1.00 0.00 H new ATOM 0 HA SER A 112 -20.529 5.964 -10.104 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.793 3.616 -10.160 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.454 3.060 -10.203 1.00 0.00 H new ATOM 0 HG SER A 112 -20.495 3.123 -12.314 1.00 0.00 H new ATOM 1802 N THR A 113 -22.602 6.516 -11.369 1.00 0.00 N ATOM 1803 CA THR A 113 -23.835 6.995 -11.981 1.00 0.00 C ATOM 1804 C THR A 113 -24.752 5.834 -12.350 1.00 0.00 C ATOM 1805 O THR A 113 -24.290 4.771 -12.761 1.00 0.00 O ATOM 1806 CB THR A 113 -23.549 7.829 -13.244 1.00 0.00 C ATOM 1807 OG1 THR A 113 -22.676 7.107 -14.121 1.00 0.00 O ATOM 1808 CG2 THR A 113 -22.918 9.164 -12.879 1.00 0.00 C ATOM 0 H THR A 113 -21.754 6.952 -11.732 1.00 0.00 H new ATOM 0 HA THR A 113 -24.330 7.626 -11.243 1.00 0.00 H new ATOM 0 HB THR A 113 -24.496 8.018 -13.750 1.00 0.00 H new ATOM 0 HG1 THR A 113 -22.501 7.643 -14.922 1.00 0.00 H new ATOM 0 HG21 THR A 113 -22.725 9.736 -13.787 1.00 0.00 H new ATOM 0 HG22 THR A 113 -23.597 9.723 -12.235 1.00 0.00 H new ATOM 0 HG23 THR A 113 -21.979 8.991 -12.353 1.00 0.00 H new ATOM 1816 N GLY A 114 -26.056 6.046 -12.200 1.00 0.00 N ATOM 1817 CA GLY A 114 -27.018 5.008 -12.522 1.00 0.00 C ATOM 1818 C GLY A 114 -28.088 4.859 -11.459 1.00 0.00 C ATOM 1819 O GLY A 114 -28.240 3.791 -10.864 1.00 0.00 O ATOM 0 H GLY A 114 -26.463 6.918 -11.861 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -27.489 5.238 -13.478 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -26.496 4.059 -12.644 1.00 0.00 H new ATOM 1823 N THR A 115 -28.833 5.933 -11.217 1.00 0.00 N ATOM 1824 CA THR A 115 -29.893 5.919 -10.216 1.00 0.00 C ATOM 1825 C THR A 115 -31.123 6.674 -10.707 1.00 0.00 C ATOM 1826 O THR A 115 -31.010 7.658 -11.439 1.00 0.00 O ATOM 1827 CB THR A 115 -29.420 6.539 -8.888 1.00 0.00 C ATOM 1828 OG1 THR A 115 -30.465 6.462 -7.912 1.00 0.00 O ATOM 1829 CG2 THR A 115 -29.009 7.991 -9.085 1.00 0.00 C ATOM 0 H THR A 115 -28.722 6.824 -11.701 1.00 0.00 H new ATOM 0 HA THR A 115 -30.155 4.874 -10.048 1.00 0.00 H new ATOM 0 HB THR A 115 -28.554 5.977 -8.538 1.00 0.00 H new ATOM 0 HG1 THR A 115 -30.156 6.857 -7.070 1.00 0.00 H new ATOM 0 HG21 THR A 115 -28.679 8.408 -8.134 1.00 0.00 H new ATOM 0 HG22 THR A 115 -28.194 8.044 -9.807 1.00 0.00 H new ATOM 0 HG23 THR A 115 -29.860 8.563 -9.456 1.00 0.00 H new ATOM 1837 N THR A 116 -32.300 6.208 -10.299 1.00 0.00 N ATOM 1838 CA THR A 116 -33.551 6.839 -10.698 1.00 0.00 C ATOM 1839 C THR A 116 -33.852 8.058 -9.834 1.00 0.00 C ATOM 1840 O THR A 116 -33.507 8.112 -8.653 1.00 0.00 O ATOM 1841 CB THR A 116 -34.732 5.854 -10.606 1.00 0.00 C ATOM 1842 OG1 THR A 116 -34.880 5.393 -9.258 1.00 0.00 O ATOM 1843 CG2 THR A 116 -34.519 4.666 -11.532 1.00 0.00 C ATOM 0 H THR A 116 -32.412 5.396 -9.692 1.00 0.00 H new ATOM 0 HA THR A 116 -33.430 7.153 -11.735 1.00 0.00 H new ATOM 0 HB THR A 116 -35.638 6.377 -10.914 1.00 0.00 H new ATOM 0 HG1 THR A 116 -35.634 4.769 -9.207 1.00 0.00 H new ATOM 0 HG21 THR A 116 -35.366 3.984 -11.450 1.00 0.00 H new ATOM 0 HG22 THR A 116 -34.434 5.017 -12.560 1.00 0.00 H new ATOM 0 HG23 THR A 116 -33.604 4.144 -11.250 1.00 0.00 H new ATOM 1851 N PRO A 117 -34.513 9.060 -10.432 1.00 0.00 N ATOM 1852 CA PRO A 117 -34.876 10.297 -9.734 1.00 0.00 C ATOM 1853 C PRO A 117 -35.963 10.075 -8.689 1.00 0.00 C ATOM 1854 O PRO A 117 -37.044 9.576 -9.000 1.00 0.00 O ATOM 1855 CB PRO A 117 -35.391 11.200 -10.858 1.00 0.00 C ATOM 1856 CG PRO A 117 -35.862 10.261 -11.913 1.00 0.00 C ATOM 1857 CD PRO A 117 -34.956 9.063 -11.837 1.00 0.00 C ATOM 0 HA PRO A 117 -34.034 10.717 -9.183 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -36.200 11.843 -10.510 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -34.603 11.854 -11.233 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -36.901 9.976 -11.746 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -35.813 10.725 -12.898 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -35.482 8.144 -12.095 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -34.114 9.151 -12.524 1.00 0.00 H new ATOM 1865 N ASN A 118 -35.670 10.448 -7.447 1.00 0.00 N ATOM 1866 CA ASN A 118 -36.623 10.289 -6.356 1.00 0.00 C ATOM 1867 C ASN A 118 -37.375 11.591 -6.096 1.00 0.00 C ATOM 1868 O ASN A 118 -37.003 12.647 -6.608 1.00 0.00 O ATOM 1869 CB ASN A 118 -35.903 9.840 -5.083 1.00 0.00 C ATOM 1870 CG ASN A 118 -36.831 9.777 -3.885 1.00 0.00 C ATOM 1871 OD1 ASN A 118 -36.894 10.710 -3.084 1.00 0.00 O ATOM 1872 ND2 ASN A 118 -37.556 8.672 -3.757 1.00 0.00 N ATOM 0 H ASN A 118 -34.780 10.863 -7.172 1.00 0.00 H new ATOM 0 HA ASN A 118 -37.344 9.525 -6.646 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -35.459 8.858 -5.247 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -35.085 10.528 -4.870 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -38.198 8.571 -2.970 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -37.471 7.924 -4.445 1.00 0.00 H new ATOM 1879 N ILE A 119 -38.433 11.507 -5.297 1.00 0.00 N ATOM 1880 CA ILE A 119 -39.236 12.678 -4.968 1.00 0.00 C ATOM 1881 C ILE A 119 -38.723 13.358 -3.703 1.00 0.00 C ATOM 1882 O ILE A 119 -38.433 12.699 -2.705 1.00 0.00 O ATOM 1883 CB ILE A 119 -40.719 12.308 -4.773 1.00 0.00 C ATOM 1884 CG1 ILE A 119 -41.261 11.611 -6.022 1.00 0.00 C ATOM 1885 CG2 ILE A 119 -41.537 13.550 -4.455 1.00 0.00 C ATOM 1886 CD1 ILE A 119 -41.438 12.540 -7.203 1.00 0.00 C ATOM 0 H ILE A 119 -38.754 10.640 -4.866 1.00 0.00 H new ATOM 0 HA ILE A 119 -39.149 13.366 -5.809 1.00 0.00 H new ATOM 0 HB ILE A 119 -40.799 11.619 -3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -40.582 10.805 -6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -42.220 11.151 -5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -42.582 13.272 -4.320 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -41.162 14.008 -3.540 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -41.454 14.261 -5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -41.825 11.978 -8.053 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -42.140 13.332 -6.941 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -40.476 12.980 -7.467 1.00 0.00 H new ATOM 1898 N ASP A 120 -38.616 14.682 -3.752 1.00 0.00 N ATOM 1899 CA ASP A 120 -38.141 15.453 -2.609 1.00 0.00 C ATOM 1900 C ASP A 120 -39.161 16.514 -2.208 1.00 0.00 C ATOM 1901 O ASP A 120 -39.985 16.935 -3.019 1.00 0.00 O ATOM 1902 CB ASP A 120 -36.801 16.113 -2.934 1.00 0.00 C ATOM 1903 CG ASP A 120 -35.641 15.140 -2.854 1.00 0.00 C ATOM 1904 OD1 ASP A 120 -35.225 14.803 -1.725 1.00 0.00 O ATOM 1905 OD2 ASP A 120 -35.151 14.714 -3.920 1.00 0.00 O ATOM 0 H ASP A 120 -38.852 15.243 -4.571 1.00 0.00 H new ATOM 0 HA ASP A 120 -38.006 14.769 -1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -36.844 16.541 -3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -36.628 16.937 -2.242 1.00 0.00 H new ATOM 1910 N SER A 121 -39.100 16.941 -0.950 1.00 0.00 N ATOM 1911 CA SER A 121 -40.022 17.949 -0.440 1.00 0.00 C ATOM 1912 C SER A 121 -39.261 19.161 0.090 1.00 0.00 C ATOM 1913 O SER A 121 -38.125 19.045 0.547 1.00 0.00 O ATOM 1914 CB SER A 121 -40.896 17.358 0.668 1.00 0.00 C ATOM 1915 OG SER A 121 -42.137 18.035 0.754 1.00 0.00 O ATOM 0 H SER A 121 -38.422 16.605 -0.266 1.00 0.00 H new ATOM 0 HA SER A 121 -40.660 18.272 -1.263 1.00 0.00 H new ATOM 0 HB2 SER A 121 -41.068 16.299 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 121 -40.374 17.426 1.623 1.00 0.00 H new ATOM 0 HG SER A 121 -42.678 17.637 1.468 1.00 0.00 H new ATOM 1921 N GLY A 122 -39.898 20.327 0.023 1.00 0.00 N ATOM 1922 CA GLY A 122 -39.268 21.545 0.499 1.00 0.00 C ATOM 1923 C GLY A 122 -40.278 22.608 0.883 1.00 0.00 C ATOM 1924 O GLY A 122 -41.330 22.750 0.259 1.00 0.00 O ATOM 0 H GLY A 122 -40.839 20.449 -0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -38.643 21.314 1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -38.610 21.937 -0.276 1.00 0.00 H new ATOM 1928 N PRO A 123 -39.961 23.377 1.935 1.00 0.00 N ATOM 1929 CA PRO A 123 -40.836 24.446 2.426 1.00 0.00 C ATOM 1930 C PRO A 123 -40.909 25.625 1.461 1.00 0.00 C ATOM 1931 O PRO A 123 -40.009 25.830 0.647 1.00 0.00 O ATOM 1932 CB PRO A 123 -40.175 24.870 3.740 1.00 0.00 C ATOM 1933 CG PRO A 123 -38.740 24.503 3.578 1.00 0.00 C ATOM 1934 CD PRO A 123 -38.724 23.264 2.725 1.00 0.00 C ATOM 0 HA PRO A 123 -41.866 24.109 2.541 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -40.293 25.939 3.915 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -40.621 24.356 4.591 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -38.182 25.310 3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -38.273 24.317 4.545 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -37.841 23.227 2.086 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -38.716 22.359 3.332 1.00 0.00 H new ATOM 1942 N SER A 124 -41.987 26.397 1.559 1.00 0.00 N ATOM 1943 CA SER A 124 -42.179 27.554 0.692 1.00 0.00 C ATOM 1944 C SER A 124 -42.488 28.802 1.513 1.00 0.00 C ATOM 1945 O SER A 124 -43.138 28.728 2.555 1.00 0.00 O ATOM 1946 CB SER A 124 -43.311 27.290 -0.302 1.00 0.00 C ATOM 1947 OG SER A 124 -42.910 26.366 -1.299 1.00 0.00 O ATOM 0 H SER A 124 -42.740 26.242 2.229 1.00 0.00 H new ATOM 0 HA SER A 124 -41.254 27.723 0.141 1.00 0.00 H new ATOM 0 HB2 SER A 124 -44.181 26.903 0.228 1.00 0.00 H new ATOM 0 HB3 SER A 124 -43.613 28.227 -0.770 1.00 0.00 H new ATOM 0 HG SER A 124 -43.652 26.213 -1.921 1.00 0.00 H new ATOM 1953 N SER A 125 -42.017 29.949 1.034 1.00 0.00 N ATOM 1954 CA SER A 125 -42.239 31.214 1.724 1.00 0.00 C ATOM 1955 C SER A 125 -43.652 31.731 1.470 1.00 0.00 C ATOM 1956 O SER A 125 -44.187 31.592 0.371 1.00 0.00 O ATOM 1957 CB SER A 125 -41.213 32.254 1.270 1.00 0.00 C ATOM 1958 OG SER A 125 -41.452 33.509 1.885 1.00 0.00 O ATOM 0 H SER A 125 -41.479 30.028 0.171 1.00 0.00 H new ATOM 0 HA SER A 125 -42.121 31.042 2.794 1.00 0.00 H new ATOM 0 HB2 SER A 125 -40.208 31.910 1.517 1.00 0.00 H new ATOM 0 HB3 SER A 125 -41.256 32.363 0.186 1.00 0.00 H new ATOM 0 HG SER A 125 -40.782 34.156 1.580 1.00 0.00 H new ATOM 1964 N GLY A 126 -44.250 32.329 2.496 1.00 0.00 N ATOM 1965 CA GLY A 126 -45.595 32.858 2.365 1.00 0.00 C ATOM 1966 C GLY A 126 -45.611 34.272 1.817 1.00 0.00 C ATOM 1967 O GLY A 126 -46.450 35.085 2.205 1.00 0.00 O ATOM 0 H GLY A 126 -43.827 32.456 3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -46.175 32.210 1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -46.084 32.843 3.339 1.00 0.00 H new TER 1971 GLY A 126