USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 672 hydrogens (15 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 86 GSH H32 : A 86 GSH O32 : A 86 GSH C3 :(short bond) USER MOD NoAdj-H: A 86 GSH H12 : A 86 GSH O12 : A 86 GSH C1 :(short bond) USER MOD Set 1.1: A 25 SER OG : rot 37:sc= 0.125 USER MOD Set 1.2: A 32 GLN : amide:sc= 0.00276 X(o=0.13,f=-0.083) USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.0487) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.103 (180deg=-0.0159) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 3 THR OG1 : rot 121:sc= 0.0843 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0289 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -52:sc= 0.911 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 33 TYR OH : rot -72:sc= 0.986 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 35 TYR OH : rot -15:sc= -0.156 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.604 USER MOD Single : A 45 LYS NZ :NH3+ -163:sc= 0.362 (180deg=0.256) USER MOD Single : A 49 GLN : amide:sc= -0.0818 X(o=-0.082,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0518 X(o=-0.052,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -128:sc= 1.21 (180deg=-0.317) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00331 USER MOD Single : A 61 GLN : amide:sc= 0.791 K(o=0.79,f=-1.6) USER MOD Single : A 66 GLN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.7) USER MOD Single : A 72 TYR OH : rot 30:sc= 0.873 USER MOD Single : A 73 THR OG1 : rot 58:sc= 0.682 USER MOD Single : A 80 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0025) USER MOD Single : A 82 ASN : amide:sc= 0.489 K(o=0.49,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.844 1.602 11.133 1.00 2.04 N ATOM 2 CA MET A 1 8.508 1.065 9.808 1.00 1.44 C ATOM 3 C MET A 1 7.757 2.130 9.014 1.00 1.32 C ATOM 4 O MET A 1 7.279 3.110 9.566 1.00 1.66 O ATOM 5 CB MET A 1 7.690 -0.242 9.856 1.00 1.52 C ATOM 6 CG MET A 1 8.521 -1.473 10.234 1.00 1.87 C ATOM 7 SD MET A 1 8.427 -2.036 11.951 1.00 2.71 S ATOM 8 CE MET A 1 6.719 -2.609 12.081 1.00 2.65 C ATOM 0 H1 MET A 1 9.866 1.503 11.299 1.00 2.04 H new ATOM 0 H2 MET A 1 8.582 2.607 11.177 1.00 2.04 H new ATOM 0 H3 MET A 1 8.323 1.076 11.863 1.00 2.04 H new ATOM 0 HA MET A 1 9.448 0.809 9.319 1.00 1.44 H new ATOM 0 HB2 MET A 1 6.879 -0.127 10.575 1.00 1.52 H new ATOM 0 HB3 MET A 1 7.231 -0.409 8.882 1.00 1.52 H new ATOM 0 HG2 MET A 1 8.215 -2.298 9.590 1.00 1.87 H new ATOM 0 HG3 MET A 1 9.565 -1.260 10.005 1.00 1.87 H new ATOM 0 HE1 MET A 1 6.579 -3.124 13.032 1.00 2.65 H new ATOM 0 HE2 MET A 1 6.044 -1.755 12.028 1.00 2.65 H new ATOM 0 HE3 MET A 1 6.502 -3.295 11.262 1.00 2.65 H new ATOM 20 N GLN A 2 7.628 1.942 7.711 1.00 1.15 N ATOM 21 CA GLN A 2 7.063 2.953 6.830 1.00 0.98 C ATOM 22 C GLN A 2 6.288 2.310 5.688 1.00 0.84 C ATOM 23 O GLN A 2 6.844 1.489 4.953 1.00 0.86 O ATOM 24 CB GLN A 2 8.153 3.911 6.327 1.00 1.03 C ATOM 25 CG GLN A 2 7.541 5.259 5.908 1.00 1.14 C ATOM 26 CD GLN A 2 8.584 6.261 5.419 1.00 1.37 C ATOM 27 OE1 GLN A 2 9.778 5.976 5.398 1.00 2.67 O ATOM 28 NE2 GLN A 2 8.158 7.452 5.020 1.00 1.52 N ATOM 0 H GLN A 2 7.911 1.086 7.234 1.00 1.15 H new ATOM 0 HA GLN A 2 6.351 3.549 7.401 1.00 0.98 H new ATOM 0 HB2 GLN A 2 8.894 4.070 7.110 1.00 1.03 H new ATOM 0 HB3 GLN A 2 8.675 3.464 5.481 1.00 1.03 H new ATOM 0 HG2 GLN A 2 6.809 5.090 5.118 1.00 1.14 H new ATOM 0 HG3 GLN A 2 7.003 5.686 6.754 1.00 1.14 H new ATOM 0 HE21 GLN A 2 7.162 7.672 5.044 1.00 1.52 H new ATOM 0 HE22 GLN A 2 8.826 8.148 4.689 1.00 1.52 H new ATOM 37 N THR A 3 5.020 2.694 5.550 1.00 1.02 N ATOM 38 CA THR A 3 4.210 2.417 4.376 1.00 0.76 C ATOM 39 C THR A 3 4.444 3.513 3.332 1.00 0.60 C ATOM 40 O THR A 3 4.532 4.694 3.669 1.00 1.09 O ATOM 41 CB THR A 3 2.725 2.346 4.783 1.00 1.03 C ATOM 42 OG1 THR A 3 2.415 1.093 5.350 1.00 1.85 O ATOM 43 CG2 THR A 3 1.771 2.570 3.606 1.00 1.63 C ATOM 0 H THR A 3 4.521 3.217 6.269 1.00 1.02 H new ATOM 0 HA THR A 3 4.492 1.458 3.941 1.00 0.76 H new ATOM 0 HB THR A 3 2.586 3.148 5.509 1.00 1.03 H new ATOM 0 HG1 THR A 3 2.083 1.220 6.263 1.00 1.85 H new ATOM 0 HG21 THR A 3 0.741 2.508 3.956 1.00 1.63 H new ATOM 0 HG22 THR A 3 1.949 3.555 3.175 1.00 1.63 H new ATOM 0 HG23 THR A 3 1.943 1.806 2.848 1.00 1.63 H new ATOM 51 N VAL A 4 4.474 3.133 2.058 1.00 0.53 N ATOM 52 CA VAL A 4 4.248 4.030 0.939 1.00 0.49 C ATOM 53 C VAL A 4 3.074 3.419 0.168 1.00 0.46 C ATOM 54 O VAL A 4 2.946 2.193 0.143 1.00 0.56 O ATOM 55 CB VAL A 4 5.517 4.137 0.079 1.00 0.59 C ATOM 56 CG1 VAL A 4 5.322 5.153 -1.051 1.00 0.69 C ATOM 57 CG2 VAL A 4 6.726 4.570 0.919 1.00 0.70 C ATOM 0 H VAL A 4 4.660 2.171 1.773 1.00 0.53 H new ATOM 0 HA VAL A 4 4.017 5.048 1.253 1.00 0.49 H new ATOM 0 HB VAL A 4 5.704 3.148 -0.338 1.00 0.59 H new ATOM 0 HG11 VAL A 4 6.232 5.213 -1.647 1.00 0.69 H new ATOM 0 HG12 VAL A 4 4.493 4.838 -1.685 1.00 0.69 H new ATOM 0 HG13 VAL A 4 5.102 6.132 -0.626 1.00 0.69 H new ATOM 0 HG21 VAL A 4 7.607 4.636 0.281 1.00 0.70 H new ATOM 0 HG22 VAL A 4 6.528 5.544 1.367 1.00 0.70 H new ATOM 0 HG23 VAL A 4 6.903 3.838 1.707 1.00 0.70 H new ATOM 67 N ILE A 5 2.196 4.233 -0.423 1.00 0.44 N ATOM 68 CA ILE A 5 1.016 3.754 -1.135 1.00 0.47 C ATOM 69 C ILE A 5 1.142 4.244 -2.555 1.00 0.47 C ATOM 70 O ILE A 5 1.244 5.446 -2.770 1.00 0.64 O ATOM 71 CB ILE A 5 -0.281 4.302 -0.524 1.00 0.66 C ATOM 72 CG1 ILE A 5 -0.491 3.765 0.889 1.00 1.04 C ATOM 73 CG2 ILE A 5 -1.497 3.905 -1.377 1.00 0.89 C ATOM 74 CD1 ILE A 5 -1.029 4.831 1.809 1.00 1.49 C ATOM 0 H ILE A 5 2.287 5.249 -0.419 1.00 0.44 H new ATOM 0 HA ILE A 5 0.965 2.667 -1.075 1.00 0.47 H new ATOM 0 HB ILE A 5 -0.187 5.388 -0.494 1.00 0.66 H new ATOM 0 HG12 ILE A 5 -1.183 2.924 0.861 1.00 1.04 H new ATOM 0 HG13 ILE A 5 0.454 3.388 1.280 1.00 1.04 H new ATOM 0 HG21 ILE A 5 -2.405 4.304 -0.925 1.00 0.89 H new ATOM 0 HG22 ILE A 5 -1.384 4.310 -2.382 1.00 0.89 H new ATOM 0 HG23 ILE A 5 -1.565 2.818 -1.429 1.00 0.89 H new ATOM 0 HD11 ILE A 5 -1.167 4.415 2.807 1.00 1.49 H new ATOM 0 HD12 ILE A 5 -0.324 5.661 1.856 1.00 1.49 H new ATOM 0 HD13 ILE A 5 -1.986 5.189 1.430 1.00 1.49 H new ATOM 86 N PHE A 6 1.117 3.334 -3.513 1.00 0.53 N ATOM 87 CA PHE A 6 1.275 3.637 -4.900 1.00 0.66 C ATOM 88 C PHE A 6 -0.101 3.491 -5.551 1.00 0.93 C ATOM 89 O PHE A 6 -0.451 2.416 -6.038 1.00 1.50 O ATOM 90 CB PHE A 6 2.289 2.631 -5.434 1.00 0.79 C ATOM 91 CG PHE A 6 3.743 2.854 -5.037 1.00 0.94 C ATOM 92 CD1 PHE A 6 4.193 2.440 -3.768 1.00 1.70 C ATOM 93 CD2 PHE A 6 4.691 3.237 -6.008 1.00 1.42 C ATOM 94 CE1 PHE A 6 5.569 2.319 -3.513 1.00 2.20 C ATOM 95 CE2 PHE A 6 6.062 3.018 -5.784 1.00 1.79 C ATOM 96 CZ PHE A 6 6.499 2.527 -4.543 1.00 2.04 C ATOM 0 H PHE A 6 0.982 2.340 -3.328 1.00 0.53 H new ATOM 0 HA PHE A 6 1.635 4.645 -5.103 1.00 0.66 H new ATOM 0 HB2 PHE A 6 1.993 1.637 -5.098 1.00 0.79 H new ATOM 0 HB3 PHE A 6 2.229 2.631 -6.522 1.00 0.79 H new ATOM 0 HD1 PHE A 6 3.479 2.215 -2.990 1.00 1.70 H new ATOM 0 HD2 PHE A 6 4.363 3.700 -6.927 1.00 1.42 H new ATOM 0 HE1 PHE A 6 5.912 2.065 -2.521 1.00 2.20 H new ATOM 0 HE2 PHE A 6 6.778 3.227 -6.565 1.00 1.79 H new ATOM 0 HZ PHE A 6 7.545 2.311 -4.382 1.00 2.04 H new ATOM 106 N GLY A 7 -0.878 4.574 -5.555 1.00 0.89 N ATOM 107 CA GLY A 7 -2.083 4.690 -6.362 1.00 1.32 C ATOM 108 C GLY A 7 -3.248 3.772 -5.969 1.00 1.36 C ATOM 109 O GLY A 7 -3.329 2.627 -6.420 1.00 2.88 O ATOM 0 H GLY A 7 -0.683 5.401 -4.991 1.00 0.89 H new ATOM 0 HA2 GLY A 7 -2.429 5.723 -6.316 1.00 1.32 H new ATOM 0 HA3 GLY A 7 -1.822 4.487 -7.401 1.00 1.32 H new ATOM 113 N ARG A 8 -4.202 4.284 -5.190 1.00 1.61 N ATOM 114 CA ARG A 8 -5.550 3.733 -5.101 1.00 2.21 C ATOM 115 C ARG A 8 -6.283 4.107 -6.393 1.00 1.53 C ATOM 116 O ARG A 8 -5.680 4.687 -7.294 1.00 2.43 O ATOM 117 CB ARG A 8 -6.268 4.250 -3.836 1.00 3.87 C ATOM 118 CG ARG A 8 -6.597 5.758 -3.793 1.00 4.76 C ATOM 119 CD ARG A 8 -7.939 6.178 -4.401 1.00 5.68 C ATOM 120 NE ARG A 8 -8.558 7.275 -3.637 1.00 6.94 N ATOM 121 CZ ARG A 8 -8.668 8.566 -3.990 1.00 7.63 C ATOM 122 NH1 ARG A 8 -7.883 9.131 -4.909 1.00 7.42 N ATOM 123 NH2 ARG A 8 -9.622 9.280 -3.403 1.00 8.92 N ATOM 0 H ARG A 8 -4.056 5.102 -4.598 1.00 1.61 H new ATOM 0 HA ARG A 8 -5.528 2.648 -5.005 1.00 2.21 H new ATOM 0 HB2 ARG A 8 -7.199 3.695 -3.723 1.00 3.87 H new ATOM 0 HB3 ARG A 8 -5.648 4.012 -2.972 1.00 3.87 H new ATOM 0 HG2 ARG A 8 -6.576 6.083 -2.753 1.00 4.76 H new ATOM 0 HG3 ARG A 8 -5.803 6.296 -4.311 1.00 4.76 H new ATOM 0 HD2 ARG A 8 -7.789 6.492 -5.434 1.00 5.68 H new ATOM 0 HD3 ARG A 8 -8.614 5.322 -4.422 1.00 5.68 H new ATOM 0 HE ARG A 8 -8.951 7.023 -2.730 1.00 6.94 H new ATOM 0 HH11 ARG A 8 -7.164 8.578 -5.375 1.00 7.42 H new ATOM 0 HH12 ARG A 8 -8.002 10.116 -5.146 1.00 7.42 H new ATOM 0 HH21 ARG A 8 -10.235 8.844 -2.714 1.00 8.92 H new ATOM 0 HH22 ARG A 8 -9.742 10.265 -3.641 1.00 8.92 H new ATOM 137 N SER A 9 -7.566 3.772 -6.494 1.00 1.94 N ATOM 138 CA SER A 9 -8.396 4.245 -7.594 1.00 2.73 C ATOM 139 C SER A 9 -9.667 4.879 -7.033 1.00 1.90 C ATOM 140 O SER A 9 -9.935 6.053 -7.280 1.00 3.14 O ATOM 141 CB SER A 9 -8.627 3.131 -8.622 1.00 4.76 C ATOM 142 OG SER A 9 -7.393 2.511 -8.961 1.00 5.94 O ATOM 0 H SER A 9 -8.053 3.174 -5.826 1.00 1.94 H new ATOM 0 HA SER A 9 -7.886 5.030 -8.152 1.00 2.73 H new ATOM 0 HB2 SER A 9 -9.315 2.389 -8.217 1.00 4.76 H new ATOM 0 HB3 SER A 9 -9.093 3.543 -9.517 1.00 4.76 H new ATOM 0 HG SER A 9 -7.553 1.801 -9.617 1.00 5.94 H new ATOM 148 N GLY A 10 -10.384 4.158 -6.169 1.00 1.70 N ATOM 149 CA GLY A 10 -11.476 4.767 -5.415 1.00 2.60 C ATOM 150 C GLY A 10 -12.539 3.780 -4.938 1.00 2.45 C ATOM 151 O GLY A 10 -13.522 4.202 -4.327 1.00 3.93 O ATOM 0 H GLY A 10 -10.231 3.168 -5.977 1.00 1.70 H new ATOM 0 HA2 GLY A 10 -11.061 5.282 -4.549 1.00 2.60 H new ATOM 0 HA3 GLY A 10 -11.953 5.524 -6.037 1.00 2.60 H new ATOM 155 N CYS A 11 -12.340 2.477 -5.138 1.00 1.38 N ATOM 156 CA CYS A 11 -13.248 1.478 -4.587 1.00 1.17 C ATOM 157 C CYS A 11 -12.988 1.402 -3.084 1.00 1.06 C ATOM 158 O CYS A 11 -11.824 1.472 -2.686 1.00 1.06 O ATOM 159 CB CYS A 11 -12.959 0.110 -5.201 1.00 1.25 C ATOM 160 SG CYS A 11 -13.482 -0.124 -6.909 1.00 2.13 S ATOM 0 H CYS A 11 -11.562 2.093 -5.675 1.00 1.38 H new ATOM 0 HA CYS A 11 -14.281 1.752 -4.802 1.00 1.17 H new ATOM 0 HB2 CYS A 11 -11.886 -0.071 -5.144 1.00 1.25 H new ATOM 0 HB3 CYS A 11 -13.443 -0.650 -4.588 1.00 1.25 H new ATOM 165 N PRO A 12 -14.010 1.261 -2.232 1.00 1.09 N ATOM 166 CA PRO A 12 -13.834 1.369 -0.794 1.00 1.12 C ATOM 167 C PRO A 12 -12.908 0.269 -0.284 1.00 0.96 C ATOM 168 O PRO A 12 -12.027 0.524 0.531 1.00 1.03 O ATOM 169 CB PRO A 12 -15.240 1.285 -0.197 1.00 1.31 C ATOM 170 CG PRO A 12 -16.069 0.558 -1.259 1.00 1.32 C ATOM 171 CD PRO A 12 -15.383 0.929 -2.573 1.00 1.22 C ATOM 0 HA PRO A 12 -13.357 2.305 -0.502 1.00 1.12 H new ATOM 0 HB2 PRO A 12 -15.238 0.739 0.746 1.00 1.31 H new ATOM 0 HB3 PRO A 12 -15.643 2.277 0.010 1.00 1.31 H new ATOM 0 HG2 PRO A 12 -16.069 -0.520 -1.098 1.00 1.32 H new ATOM 0 HG3 PRO A 12 -17.110 0.882 -1.245 1.00 1.32 H new ATOM 0 HD2 PRO A 12 -15.419 0.099 -3.279 1.00 1.22 H new ATOM 0 HD3 PRO A 12 -15.882 1.774 -3.048 1.00 1.22 H new ATOM 179 N TYR A 13 -13.095 -0.954 -0.782 1.00 0.87 N ATOM 180 CA TYR A 13 -12.304 -2.106 -0.383 1.00 0.88 C ATOM 181 C TYR A 13 -10.806 -1.813 -0.561 1.00 0.83 C ATOM 182 O TYR A 13 -10.028 -1.928 0.379 1.00 0.97 O ATOM 183 CB TYR A 13 -12.779 -3.337 -1.164 1.00 1.01 C ATOM 184 CG TYR A 13 -12.778 -4.656 -0.404 1.00 1.07 C ATOM 185 CD1 TYR A 13 -11.773 -4.956 0.538 1.00 1.97 C ATOM 186 CD2 TYR A 13 -13.757 -5.626 -0.700 1.00 2.34 C ATOM 187 CE1 TYR A 13 -11.765 -6.203 1.184 1.00 2.15 C ATOM 188 CE2 TYR A 13 -13.686 -6.905 -0.124 1.00 2.70 C ATOM 189 CZ TYR A 13 -12.659 -7.202 0.784 1.00 1.92 C ATOM 190 OH TYR A 13 -12.507 -8.461 1.276 1.00 2.46 O ATOM 0 H TYR A 13 -13.808 -1.169 -1.480 1.00 0.87 H new ATOM 0 HA TYR A 13 -12.446 -2.319 0.677 1.00 0.88 H new ATOM 0 HB2 TYR A 13 -13.792 -3.147 -1.520 1.00 1.01 H new ATOM 0 HB3 TYR A 13 -12.147 -3.449 -2.045 1.00 1.01 H new ATOM 0 HD1 TYR A 13 -11.009 -4.227 0.763 1.00 1.97 H new ATOM 0 HD2 TYR A 13 -14.566 -5.384 -1.373 1.00 2.34 H new ATOM 0 HE1 TYR A 13 -11.069 -6.391 1.989 1.00 2.15 H new ATOM 0 HE2 TYR A 13 -14.419 -7.656 -0.379 1.00 2.70 H new ATOM 0 HH TYR A 13 -13.204 -9.043 0.907 1.00 2.46 H new ATOM 200 N SER A 14 -10.410 -1.345 -1.744 1.00 0.79 N ATOM 201 CA SER A 14 -9.041 -1.047 -2.049 1.00 0.86 C ATOM 202 C SER A 14 -8.537 0.090 -1.156 1.00 0.76 C ATOM 203 O SER A 14 -7.513 -0.011 -0.482 1.00 0.82 O ATOM 204 CB SER A 14 -9.051 -0.696 -3.535 1.00 0.99 C ATOM 205 OG SER A 14 -9.556 0.577 -3.904 1.00 1.47 O ATOM 0 H SER A 14 -11.051 -1.165 -2.517 1.00 0.79 H new ATOM 0 HA SER A 14 -8.357 -1.874 -1.857 1.00 0.86 H new ATOM 0 HB2 SER A 14 -8.029 -0.773 -3.906 1.00 0.99 H new ATOM 0 HB3 SER A 14 -9.636 -1.454 -4.056 1.00 0.99 H new ATOM 0 HG SER A 14 -10.440 0.707 -3.502 1.00 1.47 H new ATOM 211 N VAL A 15 -9.277 1.197 -1.180 1.00 0.70 N ATOM 212 CA VAL A 15 -8.974 2.413 -0.437 1.00 0.72 C ATOM 213 C VAL A 15 -8.762 2.128 1.051 1.00 0.61 C ATOM 214 O VAL A 15 -7.879 2.736 1.656 1.00 0.74 O ATOM 215 CB VAL A 15 -10.075 3.455 -0.684 1.00 0.86 C ATOM 216 CG1 VAL A 15 -10.009 4.606 0.329 1.00 0.92 C ATOM 217 CG2 VAL A 15 -9.933 4.022 -2.105 1.00 1.08 C ATOM 0 H VAL A 15 -10.130 1.272 -1.735 1.00 0.70 H new ATOM 0 HA VAL A 15 -8.031 2.824 -0.799 1.00 0.72 H new ATOM 0 HB VAL A 15 -11.038 2.957 -0.567 1.00 0.86 H new ATOM 0 HG11 VAL A 15 -10.804 5.321 0.119 1.00 0.92 H new ATOM 0 HG12 VAL A 15 -10.133 4.211 1.337 1.00 0.92 H new ATOM 0 HG13 VAL A 15 -9.043 5.105 0.251 1.00 0.92 H new ATOM 0 HG21 VAL A 15 -10.714 4.762 -2.281 1.00 1.08 H new ATOM 0 HG22 VAL A 15 -8.956 4.493 -2.213 1.00 1.08 H new ATOM 0 HG23 VAL A 15 -10.028 3.214 -2.830 1.00 1.08 H new ATOM 227 N ARG A 16 -9.520 1.199 1.638 1.00 0.52 N ATOM 228 CA ARG A 16 -9.333 0.810 3.030 1.00 0.58 C ATOM 229 C ARG A 16 -7.869 0.518 3.351 1.00 0.48 C ATOM 230 O ARG A 16 -7.494 0.665 4.507 1.00 0.52 O ATOM 231 CB ARG A 16 -10.221 -0.383 3.412 1.00 0.75 C ATOM 232 CG ARG A 16 -11.637 0.075 3.782 1.00 1.44 C ATOM 233 CD ARG A 16 -12.647 -1.062 3.609 1.00 2.05 C ATOM 234 NE ARG A 16 -12.297 -2.274 4.377 1.00 2.10 N ATOM 235 CZ ARG A 16 -12.828 -3.487 4.138 1.00 3.38 C ATOM 236 NH1 ARG A 16 -13.718 -3.626 3.156 1.00 4.58 N ATOM 237 NH2 ARG A 16 -12.480 -4.540 4.878 1.00 4.23 N ATOM 0 H ARG A 16 -10.273 0.701 1.163 1.00 0.52 H new ATOM 0 HA ARG A 16 -9.640 1.664 3.634 1.00 0.58 H new ATOM 0 HB2 ARG A 16 -10.269 -1.085 2.580 1.00 0.75 H new ATOM 0 HB3 ARG A 16 -9.777 -0.916 4.253 1.00 0.75 H new ATOM 0 HG2 ARG A 16 -11.651 0.424 4.814 1.00 1.44 H new ATOM 0 HG3 ARG A 16 -11.925 0.919 3.156 1.00 1.44 H new ATOM 0 HD2 ARG A 16 -13.632 -0.715 3.920 1.00 2.05 H new ATOM 0 HD3 ARG A 16 -12.719 -1.318 2.552 1.00 2.05 H new ATOM 0 HE ARG A 16 -11.615 -2.187 5.130 1.00 2.10 H new ATOM 0 HH11 ARG A 16 -13.989 -2.818 2.596 1.00 4.58 H new ATOM 0 HH12 ARG A 16 -14.128 -4.540 2.965 1.00 4.58 H new ATOM 0 HH21 ARG A 16 -11.805 -4.431 5.635 1.00 4.23 H new ATOM 0 HH22 ARG A 16 -12.889 -5.455 4.688 1.00 4.23 H new ATOM 251 N ALA A 17 -7.042 0.119 2.380 1.00 0.44 N ATOM 252 CA ALA A 17 -5.615 -0.071 2.589 1.00 0.43 C ATOM 253 C ALA A 17 -4.947 1.257 2.943 1.00 0.47 C ATOM 254 O ALA A 17 -4.233 1.361 3.938 1.00 0.48 O ATOM 255 CB ALA A 17 -4.966 -0.658 1.331 1.00 0.47 C ATOM 0 H ALA A 17 -7.350 -0.080 1.428 1.00 0.44 H new ATOM 0 HA ALA A 17 -5.479 -0.767 3.417 1.00 0.43 H new ATOM 0 HB1 ALA A 17 -3.898 -0.795 1.502 1.00 0.47 H new ATOM 0 HB2 ALA A 17 -5.423 -1.621 1.101 1.00 0.47 H new ATOM 0 HB3 ALA A 17 -5.115 0.023 0.493 1.00 0.47 H new ATOM 261 N LYS A 18 -5.169 2.277 2.109 1.00 0.58 N ATOM 262 CA LYS A 18 -4.580 3.598 2.287 1.00 0.81 C ATOM 263 C LYS A 18 -5.020 4.076 3.671 1.00 0.86 C ATOM 264 O LYS A 18 -4.224 4.577 4.464 1.00 0.95 O ATOM 265 CB LYS A 18 -5.047 4.527 1.139 1.00 1.00 C ATOM 266 CG LYS A 18 -4.781 6.034 1.335 1.00 1.40 C ATOM 267 CD LYS A 18 -5.885 6.793 2.072 1.00 1.15 C ATOM 268 CE LYS A 18 -5.362 8.020 2.826 1.00 1.58 C ATOM 269 NZ LYS A 18 -5.101 9.179 1.946 1.00 1.83 N ATOM 0 H LYS A 18 -5.768 2.204 1.286 1.00 0.58 H new ATOM 0 HA LYS A 18 -3.491 3.591 2.241 1.00 0.81 H new ATOM 0 HB2 LYS A 18 -4.557 4.209 0.219 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -6.118 4.383 0.995 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -3.848 6.155 1.885 1.00 1.40 H new ATOM 0 HG3 LYS A 18 -4.636 6.493 0.357 1.00 1.40 H new ATOM 0 HD2 LYS A 18 -6.643 7.109 1.355 1.00 1.15 H new ATOM 0 HD3 LYS A 18 -6.374 6.120 2.777 1.00 1.15 H new ATOM 0 HE2 LYS A 18 -6.088 8.307 3.587 1.00 1.58 H new ATOM 0 HE3 LYS A 18 -4.442 7.753 3.347 1.00 1.58 H new ATOM 0 HZ1 LYS A 18 -4.750 9.975 2.516 1.00 1.83 H new ATOM 0 HZ2 LYS A 18 -4.388 8.921 1.235 1.00 1.83 H new ATOM 0 HZ3 LYS A 18 -5.982 9.457 1.468 1.00 1.83 H new ATOM 283 N ASP A 19 -6.312 3.891 3.941 1.00 0.83 N ATOM 284 CA ASP A 19 -6.936 4.300 5.183 1.00 0.94 C ATOM 285 C ASP A 19 -6.297 3.599 6.379 1.00 0.82 C ATOM 286 O ASP A 19 -5.969 4.229 7.373 1.00 0.86 O ATOM 287 CB ASP A 19 -8.424 3.977 5.121 1.00 1.00 C ATOM 288 CG ASP A 19 -9.140 4.703 6.228 1.00 1.54 C ATOM 289 OD1 ASP A 19 -9.601 5.832 5.952 1.00 3.13 O ATOM 290 OD2 ASP A 19 -9.288 4.091 7.307 1.00 1.56 O ATOM 0 H ASP A 19 -6.957 3.446 3.289 1.00 0.83 H new ATOM 0 HA ASP A 19 -6.793 5.373 5.312 1.00 0.94 H new ATOM 0 HB2 ASP A 19 -8.832 4.273 4.154 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -8.578 2.902 5.217 1.00 1.00 H new ATOM 295 N LEU A 20 -6.122 2.283 6.278 1.00 0.68 N ATOM 296 CA LEU A 20 -5.579 1.433 7.331 1.00 0.57 C ATOM 297 C LEU A 20 -4.180 1.948 7.674 1.00 0.50 C ATOM 298 O LEU A 20 -3.839 2.112 8.841 1.00 0.54 O ATOM 299 CB LEU A 20 -5.577 -0.022 6.824 1.00 0.53 C ATOM 300 CG LEU A 20 -5.200 -1.159 7.783 1.00 0.62 C ATOM 301 CD1 LEU A 20 -3.915 -0.961 8.570 1.00 1.77 C ATOM 302 CD2 LEU A 20 -6.350 -1.456 8.753 1.00 2.38 C ATOM 0 H LEU A 20 -6.362 1.764 5.433 1.00 0.68 H new ATOM 0 HA LEU A 20 -6.177 1.460 8.242 1.00 0.57 H new ATOM 0 HB2 LEU A 20 -6.575 -0.235 6.442 1.00 0.53 H new ATOM 0 HB3 LEU A 20 -4.894 -0.071 5.976 1.00 0.53 H new ATOM 0 HG LEU A 20 -5.012 -2.007 7.125 1.00 0.62 H new ATOM 0 HD11 LEU A 20 -3.747 -1.824 9.215 1.00 1.77 H new ATOM 0 HD12 LEU A 20 -3.078 -0.855 7.880 1.00 1.77 H new ATOM 0 HD13 LEU A 20 -3.997 -0.062 9.181 1.00 1.77 H new ATOM 0 HD21 LEU A 20 -6.061 -2.265 9.423 1.00 2.38 H new ATOM 0 HD22 LEU A 20 -6.573 -0.563 9.337 1.00 2.38 H new ATOM 0 HD23 LEU A 20 -7.235 -1.751 8.189 1.00 2.38 H new ATOM 314 N ALA A 21 -3.359 2.219 6.660 1.00 0.47 N ATOM 315 CA ALA A 21 -2.020 2.748 6.887 1.00 0.51 C ATOM 316 C ALA A 21 -2.073 4.097 7.606 1.00 0.62 C ATOM 317 O ALA A 21 -1.326 4.331 8.556 1.00 0.62 O ATOM 318 CB ALA A 21 -1.291 2.895 5.555 1.00 0.58 C ATOM 0 H ALA A 21 -3.599 2.081 5.678 1.00 0.47 H new ATOM 0 HA ALA A 21 -1.479 2.048 7.523 1.00 0.51 H new ATOM 0 HB1 ALA A 21 -0.291 3.291 5.730 1.00 0.58 H new ATOM 0 HB2 ALA A 21 -1.217 1.921 5.071 1.00 0.58 H new ATOM 0 HB3 ALA A 21 -1.844 3.578 4.911 1.00 0.58 H new ATOM 324 N GLU A 22 -2.931 4.998 7.131 1.00 0.76 N ATOM 325 CA GLU A 22 -3.035 6.335 7.688 1.00 0.91 C ATOM 326 C GLU A 22 -3.429 6.196 9.166 1.00 0.85 C ATOM 327 O GLU A 22 -2.727 6.660 10.063 1.00 0.86 O ATOM 328 CB GLU A 22 -4.055 7.117 6.852 1.00 1.09 C ATOM 329 CG GLU A 22 -4.312 8.522 7.390 1.00 1.29 C ATOM 330 CD GLU A 22 -5.193 9.282 6.432 1.00 1.99 C ATOM 331 OE1 GLU A 22 -4.668 9.814 5.429 1.00 3.21 O ATOM 332 OE2 GLU A 22 -6.421 9.291 6.634 1.00 2.11 O ATOM 0 H GLU A 22 -3.567 4.819 6.354 1.00 0.76 H new ATOM 0 HA GLU A 22 -2.097 6.888 7.651 1.00 0.91 H new ATOM 0 HB2 GLU A 22 -3.698 7.187 5.824 1.00 1.09 H new ATOM 0 HB3 GLU A 22 -4.995 6.566 6.826 1.00 1.09 H new ATOM 0 HG2 GLU A 22 -4.788 8.465 8.369 1.00 1.29 H new ATOM 0 HG3 GLU A 22 -3.367 9.048 7.525 1.00 1.29 H new ATOM 339 N LYS A 23 -4.521 5.475 9.417 1.00 0.86 N ATOM 340 CA LYS A 23 -4.980 5.045 10.725 1.00 0.84 C ATOM 341 C LYS A 23 -3.803 4.564 11.573 1.00 0.74 C ATOM 342 O LYS A 23 -3.554 5.100 12.644 1.00 0.76 O ATOM 343 CB LYS A 23 -6.072 3.983 10.529 1.00 1.10 C ATOM 344 CG LYS A 23 -6.485 3.261 11.813 1.00 1.51 C ATOM 345 CD LYS A 23 -5.913 1.840 11.865 1.00 3.22 C ATOM 346 CE LYS A 23 -5.942 1.324 13.308 1.00 4.22 C ATOM 347 NZ LYS A 23 -5.761 -0.135 13.371 1.00 5.58 N ATOM 0 H LYS A 23 -5.139 5.161 8.668 1.00 0.86 H new ATOM 0 HA LYS A 23 -5.419 5.875 11.279 1.00 0.84 H new ATOM 0 HB2 LYS A 23 -6.951 4.459 10.094 1.00 1.10 H new ATOM 0 HB3 LYS A 23 -5.720 3.245 9.808 1.00 1.10 H new ATOM 0 HG2 LYS A 23 -6.138 3.826 12.678 1.00 1.51 H new ATOM 0 HG3 LYS A 23 -7.572 3.219 11.875 1.00 1.51 H new ATOM 0 HD2 LYS A 23 -6.494 1.180 11.221 1.00 3.22 H new ATOM 0 HD3 LYS A 23 -4.891 1.835 11.487 1.00 3.22 H new ATOM 0 HE2 LYS A 23 -5.157 1.813 13.885 1.00 4.22 H new ATOM 0 HE3 LYS A 23 -6.892 1.593 13.771 1.00 4.22 H new ATOM 0 HZ1 LYS A 23 -5.787 -0.445 14.363 1.00 5.58 H new ATOM 0 HZ2 LYS A 23 -6.525 -0.603 12.842 1.00 5.58 H new ATOM 0 HZ3 LYS A 23 -4.844 -0.389 12.952 1.00 5.58 H new ATOM 361 N LEU A 24 -3.047 3.580 11.098 1.00 0.70 N ATOM 362 CA LEU A 24 -1.888 3.057 11.813 1.00 0.68 C ATOM 363 C LEU A 24 -0.883 4.158 12.169 1.00 0.68 C ATOM 364 O LEU A 24 -0.252 4.054 13.214 1.00 0.75 O ATOM 365 CB LEU A 24 -1.200 1.959 10.987 1.00 0.76 C ATOM 366 CG LEU A 24 -1.803 0.555 11.133 1.00 0.86 C ATOM 367 CD1 LEU A 24 -1.158 -0.348 10.078 1.00 1.01 C ATOM 368 CD2 LEU A 24 -1.547 -0.090 12.500 1.00 1.04 C ATOM 0 H LEU A 24 -3.221 3.121 10.204 1.00 0.70 H new ATOM 0 HA LEU A 24 -2.251 2.631 12.748 1.00 0.68 H new ATOM 0 HB2 LEU A 24 -1.233 2.243 9.935 1.00 0.76 H new ATOM 0 HB3 LEU A 24 -0.149 1.917 11.273 1.00 0.76 H new ATOM 0 HG LEU A 24 -2.881 0.660 11.015 1.00 0.86 H new ATOM 0 HD11 LEU A 24 -1.569 -1.354 10.160 1.00 1.01 H new ATOM 0 HD12 LEU A 24 -1.364 0.049 9.084 1.00 1.01 H new ATOM 0 HD13 LEU A 24 -0.080 -0.383 10.238 1.00 1.01 H new ATOM 0 HD21 LEU A 24 -2.003 -1.080 12.527 1.00 1.04 H new ATOM 0 HD22 LEU A 24 -0.473 -0.181 12.664 1.00 1.04 H new ATOM 0 HD23 LEU A 24 -1.982 0.531 13.283 1.00 1.04 H new ATOM 380 N SER A 25 -0.709 5.187 11.335 1.00 0.71 N ATOM 381 CA SER A 25 0.192 6.306 11.616 1.00 0.78 C ATOM 382 C SER A 25 -0.394 7.260 12.671 1.00 0.92 C ATOM 383 O SER A 25 0.302 8.157 13.148 1.00 1.27 O ATOM 384 CB SER A 25 0.544 7.023 10.301 1.00 0.85 C ATOM 385 OG SER A 25 1.558 8.002 10.463 1.00 2.52 O ATOM 0 H SER A 25 -1.193 5.267 10.441 1.00 0.71 H new ATOM 0 HA SER A 25 1.114 5.919 12.050 1.00 0.78 H new ATOM 0 HB2 SER A 25 0.871 6.286 9.567 1.00 0.85 H new ATOM 0 HB3 SER A 25 -0.352 7.497 9.900 1.00 0.85 H new ATOM 0 HG SER A 25 2.215 7.687 11.119 1.00 2.52 H new ATOM 391 N ASN A 26 -1.659 7.082 13.054 1.00 0.84 N ATOM 392 CA ASN A 26 -2.224 7.599 14.290 1.00 0.98 C ATOM 393 C ASN A 26 -1.972 6.619 15.425 1.00 1.01 C ATOM 394 O ASN A 26 -1.398 6.973 16.455 1.00 1.33 O ATOM 395 CB ASN A 26 -3.716 7.907 14.159 1.00 1.10 C ATOM 396 CG ASN A 26 -4.000 8.882 13.031 1.00 1.24 C ATOM 397 OD1 ASN A 26 -3.998 10.087 13.245 1.00 1.97 O ATOM 398 ND2 ASN A 26 -4.195 8.419 11.809 1.00 1.65 N ATOM 0 H ASN A 26 -2.333 6.559 12.494 1.00 0.84 H new ATOM 0 HA ASN A 26 -1.726 8.542 14.514 1.00 0.98 H new ATOM 0 HB2 ASN A 26 -4.263 6.981 13.983 1.00 1.10 H new ATOM 0 HB3 ASN A 26 -4.084 8.322 15.097 1.00 1.10 H new ATOM 0 HD21 ASN A 26 -4.345 9.067 11.036 1.00 1.65 H new ATOM 0 HD22 ASN A 26 -4.195 7.413 11.639 1.00 1.65 H new ATOM 405 N GLU A 27 -2.321 5.356 15.191 1.00 0.93 N ATOM 406 CA GLU A 27 -2.366 4.320 16.209 1.00 1.11 C ATOM 407 C GLU A 27 -0.948 3.885 16.614 1.00 1.17 C ATOM 408 O GLU A 27 -0.785 3.134 17.571 1.00 1.71 O ATOM 409 CB GLU A 27 -3.157 3.122 15.636 1.00 1.28 C ATOM 410 CG GLU A 27 -4.481 2.883 16.358 1.00 1.81 C ATOM 411 CD GLU A 27 -5.555 3.906 16.073 1.00 2.74 C ATOM 412 OE1 GLU A 27 -5.628 4.410 14.937 1.00 3.93 O ATOM 413 OE2 GLU A 27 -6.390 4.093 16.981 1.00 3.34 O ATOM 0 H GLU A 27 -2.586 5.021 14.265 1.00 0.93 H new ATOM 0 HA GLU A 27 -2.855 4.703 17.105 1.00 1.11 H new ATOM 0 HB2 GLU A 27 -3.352 3.295 14.578 1.00 1.28 H new ATOM 0 HB3 GLU A 27 -2.545 2.223 15.704 1.00 1.28 H new ATOM 0 HG2 GLU A 27 -4.856 1.898 16.082 1.00 1.81 H new ATOM 0 HG3 GLU A 27 -4.294 2.863 17.432 1.00 1.81 H new ATOM 420 N ARG A 28 0.079 4.331 15.899 1.00 0.99 N ATOM 421 CA ARG A 28 1.458 4.397 16.335 1.00 1.20 C ATOM 422 C ARG A 28 2.000 5.708 15.781 1.00 1.36 C ATOM 423 O ARG A 28 1.493 6.205 14.779 1.00 1.68 O ATOM 424 CB ARG A 28 2.255 3.222 15.764 1.00 1.16 C ATOM 425 CG ARG A 28 2.262 2.020 16.710 1.00 2.28 C ATOM 426 CD ARG A 28 2.574 0.720 15.956 1.00 1.93 C ATOM 427 NE ARG A 28 1.437 -0.208 15.951 1.00 2.08 N ATOM 428 CZ ARG A 28 0.192 0.103 15.575 1.00 3.33 C ATOM 429 NH1 ARG A 28 0.010 1.154 14.781 1.00 4.19 N ATOM 430 NH2 ARG A 28 -0.843 -0.622 15.996 1.00 4.71 N ATOM 0 H ARG A 28 -0.042 4.674 14.946 1.00 0.99 H new ATOM 0 HA ARG A 28 1.537 4.347 17.421 1.00 1.20 H new ATOM 0 HB2 ARG A 28 1.828 2.926 14.806 1.00 1.16 H new ATOM 0 HB3 ARG A 28 3.280 3.538 15.572 1.00 1.16 H new ATOM 0 HG2 ARG A 28 3.003 2.175 17.494 1.00 2.28 H new ATOM 0 HG3 ARG A 28 1.292 1.935 17.201 1.00 2.28 H new ATOM 0 HD2 ARG A 28 2.852 0.956 14.929 1.00 1.93 H new ATOM 0 HD3 ARG A 28 3.435 0.234 16.415 1.00 1.93 H new ATOM 0 HE ARG A 28 1.610 -1.165 16.258 1.00 2.08 H new ATOM 0 HH11 ARG A 28 0.811 1.704 14.471 1.00 4.19 H new ATOM 0 HH12 ARG A 28 -0.931 1.410 14.481 1.00 4.19 H new ATOM 0 HH21 ARG A 28 -0.689 -1.422 16.610 1.00 4.71 H new ATOM 0 HH22 ARG A 28 -1.789 -0.377 15.704 1.00 4.71 H new ATOM 444 N ASP A 29 3.022 6.255 16.431 1.00 1.72 N ATOM 445 CA ASP A 29 3.884 7.288 15.866 1.00 2.01 C ATOM 446 C ASP A 29 5.171 6.666 15.327 1.00 1.40 C ATOM 447 O ASP A 29 5.930 7.338 14.632 1.00 2.37 O ATOM 448 CB ASP A 29 4.252 8.313 16.942 1.00 2.79 C ATOM 449 CG ASP A 29 5.239 7.728 17.930 1.00 3.20 C ATOM 450 OD1 ASP A 29 4.783 6.976 18.823 1.00 3.71 O ATOM 451 OD2 ASP A 29 6.446 8.039 17.826 1.00 4.28 O ATOM 0 H ASP A 29 3.279 5.989 17.381 1.00 1.72 H new ATOM 0 HA ASP A 29 3.343 7.778 15.056 1.00 2.01 H new ATOM 0 HB2 ASP A 29 4.681 9.199 16.474 1.00 2.79 H new ATOM 0 HB3 ASP A 29 3.352 8.634 17.467 1.00 2.79 H new ATOM 456 N ASP A 30 5.452 5.408 15.677 1.00 0.74 N ATOM 457 CA ASP A 30 6.782 4.858 15.501 1.00 1.24 C ATOM 458 C ASP A 30 6.917 4.373 14.067 1.00 1.39 C ATOM 459 O ASP A 30 7.943 4.645 13.446 1.00 1.80 O ATOM 460 CB ASP A 30 7.072 3.754 16.524 1.00 2.09 C ATOM 461 CG ASP A 30 6.552 2.402 16.098 1.00 2.79 C ATOM 462 OD1 ASP A 30 5.328 2.199 16.176 1.00 4.12 O ATOM 463 OD2 ASP A 30 7.368 1.564 15.661 1.00 3.18 O ATOM 0 H ASP A 30 4.775 4.761 16.081 1.00 0.74 H new ATOM 0 HA ASP A 30 7.530 5.630 15.682 1.00 1.24 H new ATOM 0 HB2 ASP A 30 8.148 3.689 16.684 1.00 2.09 H new ATOM 0 HB3 ASP A 30 6.623 4.025 17.480 1.00 2.09 H new ATOM 468 N PHE A 31 5.881 3.728 13.519 1.00 1.24 N ATOM 469 CA PHE A 31 5.718 3.613 12.086 1.00 1.21 C ATOM 470 C PHE A 31 5.039 4.858 11.539 1.00 1.11 C ATOM 471 O PHE A 31 4.328 5.555 12.264 1.00 1.21 O ATOM 472 CB PHE A 31 5.019 2.295 11.705 1.00 1.23 C ATOM 473 CG PHE A 31 3.912 2.313 10.656 1.00 0.76 C ATOM 474 CD1 PHE A 31 2.761 3.116 10.802 1.00 1.55 C ATOM 475 CD2 PHE A 31 4.031 1.481 9.526 1.00 2.01 C ATOM 476 CE1 PHE A 31 1.800 3.159 9.776 1.00 1.73 C ATOM 477 CE2 PHE A 31 3.033 1.472 8.540 1.00 2.32 C ATOM 478 CZ PHE A 31 1.930 2.333 8.649 1.00 1.57 C ATOM 0 H PHE A 31 5.143 3.278 14.061 1.00 1.24 H new ATOM 0 HA PHE A 31 6.697 3.560 11.610 1.00 1.21 H new ATOM 0 HB2 PHE A 31 5.788 1.605 11.358 1.00 1.23 H new ATOM 0 HB3 PHE A 31 4.599 1.871 12.617 1.00 1.23 H new ATOM 0 HD1 PHE A 31 2.618 3.697 11.701 1.00 1.55 H new ATOM 0 HD2 PHE A 31 4.897 0.845 9.418 1.00 2.01 H new ATOM 0 HE1 PHE A 31 0.958 3.831 9.856 1.00 1.73 H new ATOM 0 HE2 PHE A 31 3.114 0.802 7.697 1.00 2.32 H new ATOM 0 HZ PHE A 31 1.184 2.360 7.868 1.00 1.57 H new ATOM 488 N GLN A 32 5.245 5.119 10.252 1.00 1.21 N ATOM 489 CA GLN A 32 4.731 6.278 9.546 1.00 1.06 C ATOM 490 C GLN A 32 4.222 5.861 8.165 1.00 0.79 C ATOM 491 O GLN A 32 4.382 4.714 7.743 1.00 1.04 O ATOM 492 CB GLN A 32 5.868 7.304 9.444 1.00 1.39 C ATOM 493 CG GLN A 32 6.082 8.028 10.780 1.00 1.68 C ATOM 494 CD GLN A 32 4.957 9.020 11.042 1.00 2.18 C ATOM 495 OE1 GLN A 32 4.023 8.759 11.796 1.00 3.64 O ATOM 496 NE2 GLN A 32 5.022 10.177 10.401 1.00 2.79 N ATOM 0 H GLN A 32 5.796 4.503 9.654 1.00 1.21 H new ATOM 0 HA GLN A 32 3.890 6.722 10.079 1.00 1.06 H new ATOM 0 HB2 GLN A 32 6.789 6.802 9.147 1.00 1.39 H new ATOM 0 HB3 GLN A 32 5.637 8.031 8.666 1.00 1.39 H new ATOM 0 HG2 GLN A 32 6.128 7.300 11.590 1.00 1.68 H new ATOM 0 HG3 GLN A 32 7.038 8.551 10.767 1.00 1.68 H new ATOM 0 HE21 GLN A 32 5.807 10.372 9.780 1.00 2.79 H new ATOM 0 HE22 GLN A 32 4.287 10.873 10.529 1.00 2.79 H new ATOM 505 N TYR A 33 3.623 6.798 7.430 1.00 0.67 N ATOM 506 CA TYR A 33 3.249 6.557 6.049 1.00 0.63 C ATOM 507 C TYR A 33 3.314 7.837 5.235 1.00 0.70 C ATOM 508 O TYR A 33 3.322 8.937 5.796 1.00 0.89 O ATOM 509 CB TYR A 33 1.893 5.836 5.964 1.00 0.70 C ATOM 510 CG TYR A 33 0.639 6.634 5.637 1.00 0.62 C ATOM 511 CD1 TYR A 33 0.350 7.874 6.236 1.00 2.02 C ATOM 512 CD2 TYR A 33 -0.243 6.103 4.688 1.00 1.80 C ATOM 513 CE1 TYR A 33 -0.718 8.647 5.742 1.00 1.94 C ATOM 514 CE2 TYR A 33 -1.326 6.858 4.220 1.00 1.93 C ATOM 515 CZ TYR A 33 -1.519 8.152 4.698 1.00 0.76 C ATOM 516 OH TYR A 33 -2.500 8.923 4.153 1.00 1.05 O ATOM 0 H TYR A 33 3.389 7.729 7.774 1.00 0.67 H new ATOM 0 HA TYR A 33 3.976 5.881 5.598 1.00 0.63 H new ATOM 0 HB2 TYR A 33 1.986 5.052 5.212 1.00 0.70 H new ATOM 0 HB3 TYR A 33 1.725 5.342 6.921 1.00 0.70 H new ATOM 0 HD1 TYR A 33 0.942 8.229 7.067 1.00 2.02 H new ATOM 0 HD2 TYR A 33 -0.087 5.102 4.313 1.00 1.80 H new ATOM 0 HE1 TYR A 33 -0.922 9.620 6.165 1.00 1.94 H new ATOM 0 HE2 TYR A 33 -2.007 6.440 3.493 1.00 1.93 H new ATOM 0 HH TYR A 33 -3.242 9.006 4.788 1.00 1.05 H new ATOM 526 N GLN A 34 3.372 7.690 3.918 1.00 0.75 N ATOM 527 CA GLN A 34 3.091 8.679 2.928 1.00 0.79 C ATOM 528 C GLN A 34 2.291 7.965 1.833 1.00 0.70 C ATOM 529 O GLN A 34 2.221 6.734 1.821 1.00 0.96 O ATOM 530 CB GLN A 34 4.418 9.160 2.362 1.00 0.88 C ATOM 531 CG GLN A 34 5.438 8.046 2.102 1.00 2.26 C ATOM 532 CD GLN A 34 6.457 8.515 1.077 1.00 2.62 C ATOM 533 OE1 GLN A 34 6.178 8.533 -0.121 1.00 3.06 O ATOM 534 NE2 GLN A 34 7.630 8.937 1.511 1.00 3.85 N ATOM 0 H GLN A 34 3.640 6.800 3.498 1.00 0.75 H new ATOM 0 HA GLN A 34 2.538 9.530 3.325 1.00 0.79 H new ATOM 0 HB2 GLN A 34 4.230 9.689 1.428 1.00 0.88 H new ATOM 0 HB3 GLN A 34 4.854 9.881 3.054 1.00 0.88 H new ATOM 0 HG2 GLN A 34 5.940 7.775 3.031 1.00 2.26 H new ATOM 0 HG3 GLN A 34 4.930 7.151 1.742 1.00 2.26 H new ATOM 0 HE21 GLN A 34 7.843 8.914 2.508 1.00 3.85 H new ATOM 0 HE22 GLN A 34 8.323 9.286 0.849 1.00 3.85 H new ATOM 543 N TYR A 35 1.744 8.721 0.890 1.00 0.59 N ATOM 544 CA TYR A 35 1.040 8.217 -0.273 1.00 0.58 C ATOM 545 C TYR A 35 1.661 8.837 -1.531 1.00 0.66 C ATOM 546 O TYR A 35 2.235 9.922 -1.454 1.00 0.89 O ATOM 547 CB TYR A 35 -0.440 8.559 -0.085 1.00 0.61 C ATOM 548 CG TYR A 35 -1.327 8.096 -1.210 1.00 0.73 C ATOM 549 CD1 TYR A 35 -1.269 8.773 -2.437 1.00 2.20 C ATOM 550 CD2 TYR A 35 -2.300 7.103 -1.013 1.00 1.57 C ATOM 551 CE1 TYR A 35 -1.971 8.265 -3.528 1.00 2.49 C ATOM 552 CE2 TYR A 35 -3.137 6.717 -2.073 1.00 1.52 C ATOM 553 CZ TYR A 35 -2.976 7.324 -3.323 1.00 1.29 C ATOM 554 OH TYR A 35 -3.661 6.895 -4.405 1.00 1.81 O ATOM 0 H TYR A 35 1.782 9.740 0.919 1.00 0.59 H new ATOM 0 HA TYR A 35 1.125 7.137 -0.389 1.00 0.58 H new ATOM 0 HB2 TYR A 35 -0.789 8.112 0.846 1.00 0.61 H new ATOM 0 HB3 TYR A 35 -0.541 9.639 0.022 1.00 0.61 H new ATOM 0 HD1 TYR A 35 -0.687 9.677 -2.535 1.00 2.20 H new ATOM 0 HD2 TYR A 35 -2.405 6.635 -0.045 1.00 1.57 H new ATOM 0 HE1 TYR A 35 -1.737 8.600 -4.528 1.00 2.49 H new ATOM 0 HE2 TYR A 35 -3.895 5.962 -1.925 1.00 1.52 H new ATOM 0 HH TYR A 35 -3.496 7.500 -5.158 1.00 1.81 H new ATOM 564 N VAL A 36 1.574 8.151 -2.674 1.00 0.61 N ATOM 565 CA VAL A 36 2.155 8.536 -3.950 1.00 0.70 C ATOM 566 C VAL A 36 1.141 8.271 -5.082 1.00 0.75 C ATOM 567 O VAL A 36 0.794 7.120 -5.370 1.00 0.95 O ATOM 568 CB VAL A 36 3.469 7.751 -4.131 1.00 0.74 C ATOM 569 CG1 VAL A 36 4.087 8.038 -5.508 1.00 0.96 C ATOM 570 CG2 VAL A 36 4.480 8.159 -3.052 1.00 0.79 C ATOM 0 H VAL A 36 1.069 7.267 -2.730 1.00 0.61 H new ATOM 0 HA VAL A 36 2.385 9.601 -3.980 1.00 0.70 H new ATOM 0 HB VAL A 36 3.238 6.689 -4.048 1.00 0.74 H new ATOM 0 HG11 VAL A 36 5.014 7.474 -5.616 1.00 0.96 H new ATOM 0 HG12 VAL A 36 3.388 7.740 -6.290 1.00 0.96 H new ATOM 0 HG13 VAL A 36 4.298 9.104 -5.597 1.00 0.96 H new ATOM 0 HG21 VAL A 36 5.405 7.598 -3.189 1.00 0.79 H new ATOM 0 HG22 VAL A 36 4.687 9.226 -3.132 1.00 0.79 H new ATOM 0 HG23 VAL A 36 4.067 7.943 -2.067 1.00 0.79 H new ATOM 580 N ASP A 37 0.664 9.334 -5.744 1.00 0.89 N ATOM 581 CA ASP A 37 -0.244 9.246 -6.892 1.00 1.00 C ATOM 582 C ASP A 37 0.483 8.920 -8.191 1.00 0.96 C ATOM 583 O ASP A 37 0.638 9.771 -9.067 1.00 1.20 O ATOM 584 CB ASP A 37 -1.117 10.498 -7.065 1.00 1.20 C ATOM 585 CG ASP A 37 -2.110 10.687 -5.951 1.00 1.76 C ATOM 586 OD1 ASP A 37 -1.729 11.236 -4.897 1.00 2.92 O ATOM 587 OD2 ASP A 37 -3.249 10.209 -6.142 1.00 2.09 O ATOM 0 H ASP A 37 0.903 10.293 -5.492 1.00 0.89 H new ATOM 0 HA ASP A 37 -0.909 8.413 -6.663 1.00 1.00 H new ATOM 0 HB2 ASP A 37 -0.474 11.376 -7.123 1.00 1.20 H new ATOM 0 HB3 ASP A 37 -1.652 10.432 -8.012 1.00 1.20 H new ATOM 592 N ILE A 38 0.864 7.657 -8.355 1.00 1.23 N ATOM 593 CA ILE A 38 1.351 7.174 -9.632 1.00 1.18 C ATOM 594 C ILE A 38 0.321 7.425 -10.746 1.00 1.08 C ATOM 595 O ILE A 38 0.664 7.981 -11.791 1.00 0.99 O ATOM 596 CB ILE A 38 1.780 5.711 -9.512 1.00 1.95 C ATOM 597 CG1 ILE A 38 0.662 4.761 -9.056 1.00 2.61 C ATOM 598 CG2 ILE A 38 2.997 5.576 -8.593 1.00 2.66 C ATOM 599 CD1 ILE A 38 0.164 3.923 -10.236 1.00 2.48 C ATOM 0 H ILE A 38 0.843 6.954 -7.617 1.00 1.23 H new ATOM 0 HA ILE A 38 2.239 7.737 -9.920 1.00 1.18 H new ATOM 0 HB ILE A 38 2.044 5.402 -10.524 1.00 1.95 H new ATOM 0 HG12 ILE A 38 1.031 4.107 -8.266 1.00 2.61 H new ATOM 0 HG13 ILE A 38 -0.163 5.335 -8.635 1.00 2.61 H new ATOM 0 HG21 ILE A 38 3.285 4.527 -8.522 1.00 2.66 H new ATOM 0 HG22 ILE A 38 3.827 6.153 -9.001 1.00 2.66 H new ATOM 0 HG23 ILE A 38 2.747 5.951 -7.601 1.00 2.66 H new ATOM 0 HD11 ILE A 38 -0.628 3.254 -9.899 1.00 2.48 H new ATOM 0 HD12 ILE A 38 -0.224 4.582 -11.012 1.00 2.48 H new ATOM 0 HD13 ILE A 38 0.989 3.335 -10.638 1.00 2.48 H new ATOM 611 N ARG A 39 -0.955 7.088 -10.498 1.00 1.86 N ATOM 612 CA ARG A 39 -2.066 7.484 -11.358 1.00 2.48 C ATOM 613 C ARG A 39 -2.407 8.955 -11.156 1.00 2.84 C ATOM 614 O ARG A 39 -3.468 9.307 -10.635 1.00 4.17 O ATOM 615 CB ARG A 39 -3.300 6.579 -11.209 1.00 3.48 C ATOM 616 CG ARG A 39 -3.003 5.100 -10.994 1.00 4.82 C ATOM 617 CD ARG A 39 -4.316 4.309 -11.045 1.00 5.70 C ATOM 618 NE ARG A 39 -4.032 2.874 -10.945 1.00 7.03 N ATOM 619 CZ ARG A 39 -3.838 2.266 -9.775 1.00 8.20 C ATOM 620 NH1 ARG A 39 -4.623 2.563 -8.746 1.00 8.50 N ATOM 621 NH2 ARG A 39 -2.826 1.407 -9.630 1.00 9.42 N ATOM 0 H ARG A 39 -1.239 6.532 -9.692 1.00 1.86 H new ATOM 0 HA ARG A 39 -1.732 7.351 -12.387 1.00 2.48 H new ATOM 0 HB2 ARG A 39 -3.894 6.939 -10.369 1.00 3.48 H new ATOM 0 HB3 ARG A 39 -3.916 6.683 -12.103 1.00 3.48 H new ATOM 0 HG2 ARG A 39 -2.317 4.739 -11.761 1.00 4.82 H new ATOM 0 HG3 ARG A 39 -2.512 4.951 -10.032 1.00 4.82 H new ATOM 0 HD2 ARG A 39 -4.970 4.618 -10.229 1.00 5.70 H new ATOM 0 HD3 ARG A 39 -4.844 4.521 -11.975 1.00 5.70 H new ATOM 0 HE ARG A 39 -3.981 2.322 -11.801 1.00 7.03 H new ATOM 0 HH11 ARG A 39 -5.367 3.252 -8.855 1.00 8.50 H new ATOM 0 HH12 ARG A 39 -4.482 2.102 -7.847 1.00 8.50 H new ATOM 0 HH21 ARG A 39 -2.202 1.217 -10.414 1.00 9.42 H new ATOM 0 HH22 ARG A 39 -2.677 0.941 -8.735 1.00 9.42 H new ATOM 635 N ALA A 40 -1.464 9.787 -11.566 1.00 2.38 N ATOM 636 CA ALA A 40 -1.518 11.228 -11.664 1.00 2.98 C ATOM 637 C ALA A 40 -0.196 11.634 -12.287 1.00 2.82 C ATOM 638 O ALA A 40 -0.172 12.421 -13.235 1.00 3.28 O ATOM 639 CB ALA A 40 -1.701 11.915 -10.305 1.00 3.18 C ATOM 0 H ALA A 40 -0.556 9.431 -11.866 1.00 2.38 H new ATOM 0 HA ALA A 40 -2.380 11.535 -12.257 1.00 2.98 H new ATOM 0 HB1 ALA A 40 -1.734 12.995 -10.445 1.00 3.18 H new ATOM 0 HB2 ALA A 40 -2.633 11.579 -9.850 1.00 3.18 H new ATOM 0 HB3 ALA A 40 -0.866 11.659 -9.653 1.00 3.18 H new ATOM 645 N GLU A 41 0.904 11.089 -11.766 1.00 2.30 N ATOM 646 CA GLU A 41 2.228 11.451 -12.223 1.00 2.54 C ATOM 647 C GLU A 41 2.523 10.844 -13.600 1.00 2.31 C ATOM 648 O GLU A 41 2.934 11.586 -14.496 1.00 3.05 O ATOM 649 CB GLU A 41 3.264 11.183 -11.115 1.00 2.57 C ATOM 650 CG GLU A 41 3.975 9.820 -11.135 1.00 2.46 C ATOM 651 CD GLU A 41 5.069 9.710 -12.178 1.00 3.83 C ATOM 652 OE1 GLU A 41 6.003 10.536 -12.140 1.00 4.09 O ATOM 653 OE2 GLU A 41 4.968 8.800 -13.021 1.00 5.41 O ATOM 0 H GLU A 41 0.894 10.391 -11.022 1.00 2.30 H new ATOM 0 HA GLU A 41 2.294 12.524 -12.403 1.00 2.54 H new ATOM 0 HB2 GLU A 41 4.025 11.962 -11.168 1.00 2.57 H new ATOM 0 HB3 GLU A 41 2.765 11.290 -10.152 1.00 2.57 H new ATOM 0 HG2 GLU A 41 4.405 9.632 -10.151 1.00 2.46 H new ATOM 0 HG3 GLU A 41 3.236 9.039 -11.315 1.00 2.46 H new ATOM 660 N GLY A 42 2.271 9.547 -13.808 1.00 1.47 N ATOM 661 CA GLY A 42 2.779 8.882 -15.006 1.00 1.25 C ATOM 662 C GLY A 42 2.888 7.364 -14.875 1.00 1.19 C ATOM 663 O GLY A 42 2.676 6.651 -15.854 1.00 1.80 O ATOM 0 H GLY A 42 1.732 8.952 -13.179 1.00 1.47 H new ATOM 0 HA2 GLY A 42 2.125 9.118 -15.845 1.00 1.25 H new ATOM 0 HA3 GLY A 42 3.762 9.287 -15.245 1.00 1.25 H new ATOM 667 N ILE A 43 3.156 6.825 -13.688 1.00 1.02 N ATOM 668 CA ILE A 43 3.685 5.465 -13.594 1.00 1.05 C ATOM 669 C ILE A 43 2.506 4.491 -13.670 1.00 0.95 C ATOM 670 O ILE A 43 1.428 4.761 -13.136 1.00 1.10 O ATOM 671 CB ILE A 43 4.457 5.319 -12.256 1.00 1.32 C ATOM 672 CG1 ILE A 43 5.939 5.681 -12.446 1.00 1.73 C ATOM 673 CG2 ILE A 43 4.365 3.908 -11.651 1.00 1.31 C ATOM 674 CD1 ILE A 43 6.613 6.130 -11.146 1.00 1.71 C ATOM 0 H ILE A 43 3.019 7.297 -12.794 1.00 1.02 H new ATOM 0 HA ILE A 43 4.376 5.247 -14.409 1.00 1.05 H new ATOM 0 HB ILE A 43 3.980 6.009 -11.560 1.00 1.32 H new ATOM 0 HG12 ILE A 43 6.471 4.817 -12.846 1.00 1.73 H new ATOM 0 HG13 ILE A 43 6.022 6.477 -13.186 1.00 1.73 H new ATOM 0 HG21 ILE A 43 4.926 3.875 -10.717 1.00 1.31 H new ATOM 0 HG22 ILE A 43 3.321 3.663 -11.455 1.00 1.31 H new ATOM 0 HG23 ILE A 43 4.782 3.184 -12.351 1.00 1.31 H new ATOM 0 HD11 ILE A 43 7.657 6.372 -11.342 1.00 1.71 H new ATOM 0 HD12 ILE A 43 6.103 7.011 -10.757 1.00 1.71 H new ATOM 0 HD13 ILE A 43 6.559 5.326 -10.412 1.00 1.71 H new ATOM 686 N THR A 44 2.691 3.392 -14.406 1.00 0.91 N ATOM 687 CA THR A 44 1.623 2.467 -14.738 1.00 0.98 C ATOM 688 C THR A 44 1.491 1.371 -13.681 1.00 1.02 C ATOM 689 O THR A 44 2.349 1.180 -12.817 1.00 1.02 O ATOM 690 CB THR A 44 1.883 1.888 -16.138 1.00 1.02 C ATOM 691 OG1 THR A 44 3.101 1.176 -16.177 1.00 1.02 O ATOM 692 CG2 THR A 44 1.928 3.003 -17.188 1.00 1.18 C ATOM 0 H THR A 44 3.598 3.124 -14.788 1.00 0.91 H new ATOM 0 HA THR A 44 0.671 2.998 -14.749 1.00 0.98 H new ATOM 0 HB THR A 44 1.062 1.207 -16.363 1.00 1.02 H new ATOM 0 HG1 THR A 44 3.241 0.817 -17.078 1.00 1.02 H new ATOM 0 HG21 THR A 44 2.113 2.570 -18.171 1.00 1.18 H new ATOM 0 HG22 THR A 44 0.975 3.532 -17.198 1.00 1.18 H new ATOM 0 HG23 THR A 44 2.728 3.702 -16.943 1.00 1.18 H new ATOM 700 N LYS A 45 0.402 0.611 -13.754 1.00 1.14 N ATOM 701 CA LYS A 45 0.218 -0.589 -12.978 1.00 1.21 C ATOM 702 C LYS A 45 1.246 -1.642 -13.389 1.00 1.05 C ATOM 703 O LYS A 45 1.765 -2.378 -12.556 1.00 1.00 O ATOM 704 CB LYS A 45 -1.194 -1.079 -13.261 1.00 1.43 C ATOM 705 CG LYS A 45 -1.588 -2.183 -12.293 1.00 1.55 C ATOM 706 CD LYS A 45 -3.049 -2.556 -12.533 1.00 1.85 C ATOM 707 CE LYS A 45 -4.029 -1.705 -11.718 1.00 3.16 C ATOM 708 NZ LYS A 45 -5.405 -1.824 -12.235 1.00 3.69 N ATOM 0 H LYS A 45 -0.385 0.824 -14.367 1.00 1.14 H new ATOM 0 HA LYS A 45 0.355 -0.398 -11.914 1.00 1.21 H new ATOM 0 HB2 LYS A 45 -1.895 -0.249 -13.177 1.00 1.43 H new ATOM 0 HB3 LYS A 45 -1.257 -1.448 -14.285 1.00 1.43 H new ATOM 0 HG2 LYS A 45 -0.949 -3.054 -12.435 1.00 1.55 H new ATOM 0 HG3 LYS A 45 -1.448 -1.850 -11.265 1.00 1.55 H new ATOM 0 HD2 LYS A 45 -3.276 -2.446 -13.593 1.00 1.85 H new ATOM 0 HD3 LYS A 45 -3.195 -3.607 -12.283 1.00 1.85 H new ATOM 0 HE2 LYS A 45 -4.003 -2.017 -10.674 1.00 3.16 H new ATOM 0 HE3 LYS A 45 -3.717 -0.661 -11.746 1.00 3.16 H new ATOM 0 HZ1 LYS A 45 -5.983 -1.041 -11.868 1.00 3.69 H new ATOM 0 HZ2 LYS A 45 -5.390 -1.785 -13.274 1.00 3.69 H new ATOM 0 HZ3 LYS A 45 -5.814 -2.730 -11.928 1.00 3.69 H new ATOM 722 N GLU A 46 1.492 -1.748 -14.691 1.00 1.02 N ATOM 723 CA GLU A 46 2.397 -2.752 -15.219 1.00 0.89 C ATOM 724 C GLU A 46 3.803 -2.441 -14.691 1.00 0.73 C ATOM 725 O GLU A 46 4.479 -3.334 -14.181 1.00 0.72 O ATOM 726 CB GLU A 46 2.328 -2.733 -16.744 1.00 0.99 C ATOM 727 CG GLU A 46 3.461 -3.517 -17.408 1.00 1.76 C ATOM 728 CD GLU A 46 3.351 -3.390 -18.905 1.00 1.74 C ATOM 729 OE1 GLU A 46 3.391 -2.231 -19.365 1.00 2.05 O ATOM 730 OE2 GLU A 46 3.237 -4.434 -19.578 1.00 2.77 O ATOM 0 H GLU A 46 1.073 -1.146 -15.400 1.00 1.02 H new ATOM 0 HA GLU A 46 2.123 -3.757 -14.897 1.00 0.89 H new ATOM 0 HB2 GLU A 46 1.372 -3.148 -17.063 1.00 0.99 H new ATOM 0 HB3 GLU A 46 2.358 -1.700 -17.090 1.00 0.99 H new ATOM 0 HG2 GLU A 46 4.426 -3.138 -17.070 1.00 1.76 H new ATOM 0 HG3 GLU A 46 3.411 -4.566 -17.117 1.00 1.76 H new ATOM 737 N ASP A 47 4.233 -1.175 -14.791 1.00 0.72 N ATOM 738 CA ASP A 47 5.472 -0.710 -14.167 1.00 0.72 C ATOM 739 C ASP A 47 5.510 -1.171 -12.719 1.00 0.72 C ATOM 740 O ASP A 47 6.433 -1.852 -12.292 1.00 0.75 O ATOM 741 CB ASP A 47 5.551 0.815 -14.206 1.00 0.78 C ATOM 742 CG ASP A 47 6.726 1.330 -13.398 1.00 0.86 C ATOM 743 OD1 ASP A 47 6.583 1.513 -12.174 1.00 1.56 O ATOM 744 OD2 ASP A 47 7.797 1.577 -13.993 1.00 1.64 O ATOM 0 H ASP A 47 3.732 -0.451 -15.305 1.00 0.72 H new ATOM 0 HA ASP A 47 6.317 -1.124 -14.716 1.00 0.72 H new ATOM 0 HB2 ASP A 47 5.644 1.150 -15.239 1.00 0.78 H new ATOM 0 HB3 ASP A 47 4.626 1.239 -13.816 1.00 0.78 H new ATOM 749 N LEU A 48 4.463 -0.842 -11.975 1.00 0.76 N ATOM 750 CA LEU A 48 4.314 -1.289 -10.606 1.00 0.87 C ATOM 751 C LEU A 48 4.493 -2.802 -10.445 1.00 0.76 C ATOM 752 O LEU A 48 5.067 -3.239 -9.449 1.00 0.72 O ATOM 753 CB LEU A 48 2.958 -0.821 -10.081 1.00 1.03 C ATOM 754 CG LEU A 48 3.049 0.524 -9.366 1.00 1.34 C ATOM 755 CD1 LEU A 48 1.629 1.067 -9.206 1.00 1.50 C ATOM 756 CD2 LEU A 48 3.699 0.367 -7.989 1.00 1.56 C ATOM 0 H LEU A 48 3.696 -0.258 -12.308 1.00 0.76 H new ATOM 0 HA LEU A 48 5.112 -0.844 -10.012 1.00 0.87 H new ATOM 0 HB2 LEU A 48 2.256 -0.742 -10.911 1.00 1.03 H new ATOM 0 HB3 LEU A 48 2.558 -1.568 -9.396 1.00 1.03 H new ATOM 0 HG LEU A 48 3.664 1.209 -9.950 1.00 1.34 H new ATOM 0 HD11 LEU A 48 1.663 2.030 -8.697 1.00 1.50 H new ATOM 0 HD12 LEU A 48 1.174 1.192 -10.189 1.00 1.50 H new ATOM 0 HD13 LEU A 48 1.036 0.367 -8.618 1.00 1.50 H new ATOM 0 HD21 LEU A 48 3.753 1.339 -7.499 1.00 1.56 H new ATOM 0 HD22 LEU A 48 3.103 -0.313 -7.381 1.00 1.56 H new ATOM 0 HD23 LEU A 48 4.705 -0.037 -8.105 1.00 1.56 H new ATOM 768 N GLN A 49 3.994 -3.613 -11.375 1.00 0.78 N ATOM 769 CA GLN A 49 4.139 -5.053 -11.361 1.00 0.74 C ATOM 770 C GLN A 49 5.609 -5.449 -11.553 1.00 0.75 C ATOM 771 O GLN A 49 6.122 -6.322 -10.850 1.00 0.79 O ATOM 772 CB GLN A 49 3.145 -5.640 -12.389 1.00 0.76 C ATOM 773 CG GLN A 49 3.724 -6.536 -13.488 1.00 0.78 C ATOM 774 CD GLN A 49 2.700 -6.910 -14.560 1.00 0.95 C ATOM 775 OE1 GLN A 49 3.019 -6.927 -15.745 1.00 1.46 O ATOM 776 NE2 GLN A 49 1.456 -7.206 -14.200 1.00 0.98 N ATOM 0 H GLN A 49 3.465 -3.270 -12.177 1.00 0.78 H new ATOM 0 HA GLN A 49 3.879 -5.485 -10.394 1.00 0.74 H new ATOM 0 HB2 GLN A 49 2.395 -6.214 -11.845 1.00 0.76 H new ATOM 0 HB3 GLN A 49 2.625 -4.810 -12.868 1.00 0.76 H new ATOM 0 HG2 GLN A 49 4.564 -6.026 -13.959 1.00 0.78 H new ATOM 0 HG3 GLN A 49 4.117 -7.447 -13.036 1.00 0.78 H new ATOM 0 HE21 GLN A 49 1.193 -7.191 -13.215 1.00 0.98 H new ATOM 0 HE22 GLN A 49 0.764 -7.448 -14.909 1.00 0.98 H new ATOM 785 N GLN A 50 6.296 -4.816 -12.503 1.00 0.77 N ATOM 786 CA GLN A 50 7.718 -5.030 -12.748 1.00 0.83 C ATOM 787 C GLN A 50 8.507 -4.684 -11.482 1.00 0.89 C ATOM 788 O GLN A 50 9.200 -5.525 -10.914 1.00 0.90 O ATOM 789 CB GLN A 50 8.163 -4.170 -13.945 1.00 0.86 C ATOM 790 CG GLN A 50 7.676 -4.710 -15.294 1.00 1.82 C ATOM 791 CD GLN A 50 8.583 -5.831 -15.788 1.00 2.15 C ATOM 792 OE1 GLN A 50 9.557 -5.570 -16.490 1.00 2.75 O ATOM 793 NE2 GLN A 50 8.324 -7.074 -15.407 1.00 3.54 N ATOM 0 H GLN A 50 5.874 -4.132 -13.131 1.00 0.77 H new ATOM 0 HA GLN A 50 7.909 -6.075 -12.992 1.00 0.83 H new ATOM 0 HB2 GLN A 50 7.790 -3.154 -13.812 1.00 0.86 H new ATOM 0 HB3 GLN A 50 9.251 -4.111 -13.957 1.00 0.86 H new ATOM 0 HG2 GLN A 50 6.655 -5.079 -15.196 1.00 1.82 H new ATOM 0 HG3 GLN A 50 7.655 -3.904 -16.027 1.00 1.82 H new ATOM 0 HE21 GLN A 50 7.510 -7.270 -14.824 1.00 3.54 H new ATOM 0 HE22 GLN A 50 8.939 -7.835 -15.697 1.00 3.54 H new ATOM 802 N LYS A 51 8.343 -3.451 -11.019 1.00 0.99 N ATOM 803 CA LYS A 51 9.007 -2.872 -9.864 1.00 1.11 C ATOM 804 C LYS A 51 8.801 -3.737 -8.634 1.00 1.15 C ATOM 805 O LYS A 51 9.741 -4.070 -7.918 1.00 1.29 O ATOM 806 CB LYS A 51 8.380 -1.498 -9.632 1.00 1.10 C ATOM 807 CG LYS A 51 9.243 -0.573 -8.770 1.00 1.25 C ATOM 808 CD LYS A 51 9.069 0.872 -9.248 1.00 1.95 C ATOM 809 CE LYS A 51 7.611 1.356 -9.225 1.00 2.39 C ATOM 810 NZ LYS A 51 7.448 2.602 -9.995 1.00 3.92 N ATOM 0 H LYS A 51 7.706 -2.793 -11.467 1.00 0.99 H new ATOM 0 HA LYS A 51 10.080 -2.798 -10.043 1.00 1.11 H new ATOM 0 HB2 LYS A 51 8.201 -1.021 -10.596 1.00 1.10 H new ATOM 0 HB3 LYS A 51 7.409 -1.626 -9.154 1.00 1.10 H new ATOM 0 HG2 LYS A 51 8.954 -0.659 -7.722 1.00 1.25 H new ATOM 0 HG3 LYS A 51 10.291 -0.867 -8.837 1.00 1.25 H new ATOM 0 HD2 LYS A 51 9.671 1.529 -8.620 1.00 1.95 H new ATOM 0 HD3 LYS A 51 9.456 0.959 -10.263 1.00 1.95 H new ATOM 0 HE2 LYS A 51 6.963 0.583 -9.638 1.00 2.39 H new ATOM 0 HE3 LYS A 51 7.296 1.519 -8.194 1.00 2.39 H new ATOM 0 HZ1 LYS A 51 6.968 3.313 -9.407 1.00 3.92 H new ATOM 0 HZ2 LYS A 51 8.383 2.960 -10.278 1.00 3.92 H new ATOM 0 HZ3 LYS A 51 6.878 2.413 -10.844 1.00 3.92 H new ATOM 824 N ALA A 52 7.537 -4.069 -8.387 1.00 1.05 N ATOM 825 CA ALA A 52 7.180 -4.964 -7.302 1.00 1.13 C ATOM 826 C ALA A 52 7.910 -6.288 -7.449 1.00 1.12 C ATOM 827 O ALA A 52 8.321 -6.881 -6.453 1.00 1.28 O ATOM 828 CB ALA A 52 5.680 -5.240 -7.291 1.00 1.07 C ATOM 0 H ALA A 52 6.743 -3.727 -8.929 1.00 1.05 H new ATOM 0 HA ALA A 52 7.466 -4.478 -6.369 1.00 1.13 H new ATOM 0 HB1 ALA A 52 5.440 -5.913 -6.468 1.00 1.07 H new ATOM 0 HB2 ALA A 52 5.139 -4.303 -7.163 1.00 1.07 H new ATOM 0 HB3 ALA A 52 5.388 -5.701 -8.234 1.00 1.07 H new ATOM 834 N GLY A 53 7.978 -6.786 -8.680 1.00 0.95 N ATOM 835 CA GLY A 53 8.264 -8.174 -8.935 1.00 0.84 C ATOM 836 C GLY A 53 7.076 -8.972 -8.423 1.00 0.81 C ATOM 837 O GLY A 53 7.204 -9.765 -7.488 1.00 1.23 O ATOM 0 H GLY A 53 7.835 -6.229 -9.523 1.00 0.95 H new ATOM 0 HA2 GLY A 53 8.415 -8.347 -10.000 1.00 0.84 H new ATOM 0 HA3 GLY A 53 9.180 -8.479 -8.429 1.00 0.84 H new ATOM 841 N LYS A 54 5.899 -8.710 -8.985 1.00 0.78 N ATOM 842 CA LYS A 54 4.702 -9.512 -8.758 1.00 0.89 C ATOM 843 C LYS A 54 3.631 -9.188 -9.808 1.00 0.76 C ATOM 844 O LYS A 54 3.665 -8.109 -10.401 1.00 0.74 O ATOM 845 CB LYS A 54 4.165 -9.331 -7.323 1.00 1.15 C ATOM 846 CG LYS A 54 4.352 -10.609 -6.483 1.00 1.75 C ATOM 847 CD LYS A 54 3.324 -10.688 -5.348 1.00 1.52 C ATOM 848 CE LYS A 54 3.120 -12.148 -4.922 1.00 2.42 C ATOM 849 NZ LYS A 54 1.893 -12.329 -4.132 1.00 2.57 N ATOM 0 H LYS A 54 5.749 -7.925 -9.619 1.00 0.78 H new ATOM 0 HA LYS A 54 4.972 -10.563 -8.866 1.00 0.89 H new ATOM 0 HB2 LYS A 54 4.682 -8.500 -6.843 1.00 1.15 H new ATOM 0 HB3 LYS A 54 3.107 -9.070 -7.360 1.00 1.15 H new ATOM 0 HG2 LYS A 54 4.256 -11.485 -7.124 1.00 1.75 H new ATOM 0 HG3 LYS A 54 5.359 -10.628 -6.066 1.00 1.75 H new ATOM 0 HD2 LYS A 54 3.664 -10.097 -4.497 1.00 1.52 H new ATOM 0 HD3 LYS A 54 2.376 -10.261 -5.675 1.00 1.52 H new ATOM 0 HE2 LYS A 54 3.076 -12.781 -5.808 1.00 2.42 H new ATOM 0 HE3 LYS A 54 3.979 -12.478 -4.337 1.00 2.42 H new ATOM 0 HZ1 LYS A 54 1.796 -13.330 -3.866 1.00 2.57 H new ATOM 0 HZ2 LYS A 54 1.944 -11.746 -3.272 1.00 2.57 H new ATOM 0 HZ3 LYS A 54 1.070 -12.040 -4.698 1.00 2.57 H new ATOM 863 N PRO A 55 2.672 -10.099 -10.042 1.00 1.04 N ATOM 864 CA PRO A 55 1.697 -9.982 -11.111 1.00 0.96 C ATOM 865 C PRO A 55 0.533 -9.117 -10.627 1.00 0.91 C ATOM 866 O PRO A 55 -0.604 -9.581 -10.519 1.00 1.21 O ATOM 867 CB PRO A 55 1.266 -11.427 -11.380 1.00 1.49 C ATOM 868 CG PRO A 55 1.291 -12.036 -9.978 1.00 1.97 C ATOM 869 CD PRO A 55 2.507 -11.366 -9.347 1.00 1.71 C ATOM 0 HA PRO A 55 2.080 -9.510 -12.016 1.00 0.96 H new ATOM 0 HB2 PRO A 55 0.274 -11.479 -11.829 1.00 1.49 H new ATOM 0 HB3 PRO A 55 1.950 -11.937 -12.058 1.00 1.49 H new ATOM 0 HG2 PRO A 55 0.377 -11.820 -9.426 1.00 1.97 H new ATOM 0 HG3 PRO A 55 1.396 -13.121 -10.009 1.00 1.97 H new ATOM 0 HD2 PRO A 55 2.355 -11.208 -8.279 1.00 1.71 H new ATOM 0 HD3 PRO A 55 3.395 -11.989 -9.454 1.00 1.71 H new ATOM 877 N VAL A 56 0.787 -7.850 -10.313 1.00 0.88 N ATOM 878 CA VAL A 56 -0.250 -7.045 -9.689 1.00 1.04 C ATOM 879 C VAL A 56 -1.316 -6.683 -10.726 1.00 0.81 C ATOM 880 O VAL A 56 -1.046 -6.690 -11.933 1.00 1.29 O ATOM 881 CB VAL A 56 0.302 -5.922 -8.825 1.00 1.50 C ATOM 882 CG1 VAL A 56 1.587 -6.319 -8.088 1.00 1.00 C ATOM 883 CG2 VAL A 56 0.496 -4.714 -9.697 1.00 3.01 C ATOM 0 H VAL A 56 1.674 -7.373 -10.475 1.00 0.88 H new ATOM 0 HA VAL A 56 -0.779 -7.632 -8.938 1.00 1.04 H new ATOM 0 HB VAL A 56 -0.413 -5.693 -8.034 1.00 1.50 H new ATOM 0 HG11 VAL A 56 1.936 -5.479 -7.487 1.00 1.00 H new ATOM 0 HG12 VAL A 56 1.386 -7.171 -7.439 1.00 1.00 H new ATOM 0 HG13 VAL A 56 2.354 -6.589 -8.814 1.00 1.00 H new ATOM 0 HG21 VAL A 56 0.892 -3.893 -9.099 1.00 3.01 H new ATOM 0 HG22 VAL A 56 1.197 -4.951 -10.497 1.00 3.01 H new ATOM 0 HG23 VAL A 56 -0.461 -4.420 -10.129 1.00 3.01 H new ATOM 893 N GLU A 57 -2.543 -6.460 -10.261 1.00 0.95 N ATOM 894 CA GLU A 57 -3.713 -6.264 -11.100 1.00 0.88 C ATOM 895 C GLU A 57 -4.729 -5.407 -10.349 1.00 0.83 C ATOM 896 O GLU A 57 -5.199 -4.387 -10.853 1.00 1.20 O ATOM 897 CB GLU A 57 -4.285 -7.622 -11.538 1.00 1.28 C ATOM 898 CG GLU A 57 -4.645 -7.548 -13.026 1.00 1.80 C ATOM 899 CD GLU A 57 -5.061 -8.885 -13.575 1.00 2.70 C ATOM 900 OE1 GLU A 57 -4.193 -9.786 -13.612 1.00 4.07 O ATOM 901 OE2 GLU A 57 -6.228 -9.014 -13.982 1.00 3.20 O ATOM 0 H GLU A 57 -2.752 -6.410 -9.264 1.00 0.95 H new ATOM 0 HA GLU A 57 -3.443 -5.733 -12.012 1.00 0.88 H new ATOM 0 HB2 GLU A 57 -3.555 -8.413 -11.365 1.00 1.28 H new ATOM 0 HB3 GLU A 57 -5.168 -7.868 -10.948 1.00 1.28 H new ATOM 0 HG2 GLU A 57 -5.454 -6.831 -13.168 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -3.788 -7.177 -13.588 1.00 1.80 H new ATOM 908 N THR A 58 -4.977 -5.766 -9.092 1.00 0.95 N ATOM 909 CA THR A 58 -5.861 -5.009 -8.236 1.00 0.92 C ATOM 910 C THR A 58 -5.053 -3.856 -7.635 1.00 0.90 C ATOM 911 O THR A 58 -3.926 -3.608 -8.063 1.00 1.12 O ATOM 912 CB THR A 58 -6.434 -5.972 -7.192 1.00 1.03 C ATOM 913 OG1 THR A 58 -5.397 -6.605 -6.465 1.00 1.20 O ATOM 914 CG2 THR A 58 -7.263 -7.082 -7.846 1.00 1.02 C ATOM 0 H THR A 58 -4.568 -6.588 -8.647 1.00 0.95 H new ATOM 0 HA THR A 58 -6.705 -4.569 -8.767 1.00 0.92 H new ATOM 0 HB THR A 58 -7.060 -5.371 -6.533 1.00 1.03 H new ATOM 0 HG1 THR A 58 -5.786 -7.214 -5.803 1.00 1.20 H new ATOM 0 HG21 THR A 58 -7.654 -7.746 -7.075 1.00 1.02 H new ATOM 0 HG22 THR A 58 -8.092 -6.640 -8.398 1.00 1.02 H new ATOM 0 HG23 THR A 58 -6.634 -7.651 -8.530 1.00 1.02 H new ATOM 922 N VAL A 59 -5.642 -3.083 -6.725 1.00 1.00 N ATOM 923 CA VAL A 59 -5.091 -1.825 -6.233 1.00 0.85 C ATOM 924 C VAL A 59 -5.474 -1.668 -4.757 1.00 0.81 C ATOM 925 O VAL A 59 -6.369 -2.383 -4.303 1.00 1.09 O ATOM 926 CB VAL A 59 -5.662 -0.666 -7.083 1.00 1.04 C ATOM 927 CG1 VAL A 59 -5.182 -0.776 -8.530 1.00 1.27 C ATOM 928 CG2 VAL A 59 -7.196 -0.614 -7.069 1.00 1.34 C ATOM 0 H VAL A 59 -6.538 -3.321 -6.300 1.00 1.00 H new ATOM 0 HA VAL A 59 -4.004 -1.814 -6.316 1.00 0.85 H new ATOM 0 HB VAL A 59 -5.293 0.254 -6.630 1.00 1.04 H new ATOM 0 HG11 VAL A 59 -5.594 0.048 -9.113 1.00 1.27 H new ATOM 0 HG12 VAL A 59 -4.093 -0.731 -8.557 1.00 1.27 H new ATOM 0 HG13 VAL A 59 -5.516 -1.723 -8.953 1.00 1.27 H new ATOM 0 HG21 VAL A 59 -7.537 0.220 -7.683 1.00 1.34 H new ATOM 0 HG22 VAL A 59 -7.595 -1.546 -7.469 1.00 1.34 H new ATOM 0 HG23 VAL A 59 -7.546 -0.478 -6.046 1.00 1.34 H new ATOM 938 N PRO A 60 -4.899 -0.701 -4.022 1.00 0.62 N ATOM 939 CA PRO A 60 -3.644 -0.030 -4.331 1.00 0.51 C ATOM 940 C PRO A 60 -2.505 -1.040 -4.242 1.00 0.46 C ATOM 941 O PRO A 60 -2.736 -2.191 -3.888 1.00 0.52 O ATOM 942 CB PRO A 60 -3.481 1.038 -3.244 1.00 0.61 C ATOM 943 CG PRO A 60 -4.168 0.393 -2.044 1.00 0.68 C ATOM 944 CD PRO A 60 -5.333 -0.359 -2.680 1.00 0.73 C ATOM 0 HA PRO A 60 -3.635 0.405 -5.330 1.00 0.51 H new ATOM 0 HB2 PRO A 60 -2.432 1.256 -3.043 1.00 0.61 H new ATOM 0 HB3 PRO A 60 -3.954 1.979 -3.525 1.00 0.61 H new ATOM 0 HG2 PRO A 60 -3.498 -0.279 -1.508 1.00 0.68 H new ATOM 0 HG3 PRO A 60 -4.512 1.138 -1.327 1.00 0.68 H new ATOM 0 HD2 PRO A 60 -5.579 -1.254 -2.109 1.00 0.73 H new ATOM 0 HD3 PRO A 60 -6.230 0.259 -2.705 1.00 0.73 H new ATOM 952 N GLN A 61 -1.283 -0.596 -4.525 1.00 0.59 N ATOM 953 CA GLN A 61 -0.102 -1.331 -4.115 1.00 0.57 C ATOM 954 C GLN A 61 0.469 -0.544 -2.942 1.00 0.49 C ATOM 955 O GLN A 61 1.021 0.535 -3.148 1.00 0.60 O ATOM 956 CB GLN A 61 0.908 -1.457 -5.269 1.00 0.76 C ATOM 957 CG GLN A 61 0.281 -1.473 -6.667 1.00 1.36 C ATOM 958 CD GLN A 61 -0.713 -2.599 -6.905 1.00 1.66 C ATOM 959 OE1 GLN A 61 -0.899 -3.495 -6.091 1.00 3.05 O ATOM 960 NE2 GLN A 61 -1.389 -2.537 -8.044 1.00 2.39 N ATOM 0 H GLN A 61 -1.091 0.266 -5.035 1.00 0.59 H new ATOM 0 HA GLN A 61 -0.338 -2.356 -3.829 1.00 0.57 H new ATOM 0 HB2 GLN A 61 1.612 -0.627 -5.210 1.00 0.76 H new ATOM 0 HB3 GLN A 61 1.483 -2.373 -5.133 1.00 0.76 H new ATOM 0 HG2 GLN A 61 -0.222 -0.521 -6.836 1.00 1.36 H new ATOM 0 HG3 GLN A 61 1.078 -1.548 -7.407 1.00 1.36 H new ATOM 0 HE21 GLN A 61 -1.211 -1.778 -8.702 1.00 2.39 H new ATOM 0 HE22 GLN A 61 -2.087 -3.248 -8.262 1.00 2.39 H new ATOM 969 N ILE A 62 0.316 -1.027 -1.716 1.00 0.44 N ATOM 970 CA ILE A 62 1.147 -0.539 -0.634 1.00 0.43 C ATOM 971 C ILE A 62 2.435 -1.337 -0.712 1.00 0.46 C ATOM 972 O ILE A 62 2.426 -2.538 -0.996 1.00 0.57 O ATOM 973 CB ILE A 62 0.427 -0.646 0.723 1.00 0.43 C ATOM 974 CG1 ILE A 62 -0.425 0.617 0.960 1.00 0.45 C ATOM 975 CG2 ILE A 62 1.375 -0.836 1.914 1.00 0.53 C ATOM 976 CD1 ILE A 62 -1.845 0.190 1.275 1.00 0.54 C ATOM 0 H ILE A 62 -0.363 -1.742 -1.453 1.00 0.44 H new ATOM 0 HA ILE A 62 1.366 0.525 -0.729 1.00 0.43 H new ATOM 0 HB ILE A 62 -0.195 -1.539 0.666 1.00 0.43 H new ATOM 0 HG12 ILE A 62 -0.014 1.201 1.783 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -0.409 1.255 0.077 1.00 0.45 H new ATOM 0 HG21 ILE A 62 0.794 -0.903 2.834 1.00 0.53 H new ATOM 0 HG22 ILE A 62 1.949 -1.753 1.780 1.00 0.53 H new ATOM 0 HG23 ILE A 62 2.056 0.013 1.976 1.00 0.53 H new ATOM 0 HD11 ILE A 62 -2.461 1.073 1.445 1.00 0.54 H new ATOM 0 HD12 ILE A 62 -2.249 -0.378 0.437 1.00 0.54 H new ATOM 0 HD13 ILE A 62 -1.848 -0.433 2.170 1.00 0.54 H new ATOM 988 N PHE A 63 3.538 -0.634 -0.492 1.00 0.40 N ATOM 989 CA PHE A 63 4.814 -1.230 -0.188 1.00 0.41 C ATOM 990 C PHE A 63 5.061 -0.813 1.255 1.00 0.47 C ATOM 991 O PHE A 63 4.885 0.360 1.582 1.00 0.63 O ATOM 992 CB PHE A 63 5.921 -0.692 -1.106 1.00 0.46 C ATOM 993 CG PHE A 63 5.884 -1.112 -2.574 1.00 0.45 C ATOM 994 CD1 PHE A 63 4.731 -0.933 -3.366 1.00 1.78 C ATOM 995 CD2 PHE A 63 7.057 -1.605 -3.181 1.00 2.02 C ATOM 996 CE1 PHE A 63 4.734 -1.307 -4.721 1.00 1.74 C ATOM 997 CE2 PHE A 63 7.065 -1.946 -4.544 1.00 2.08 C ATOM 998 CZ PHE A 63 5.898 -1.821 -5.311 1.00 0.54 C ATOM 0 H PHE A 63 3.562 0.385 -0.522 1.00 0.40 H new ATOM 0 HA PHE A 63 4.817 -2.310 -0.333 1.00 0.41 H new ATOM 0 HB2 PHE A 63 5.891 0.397 -1.067 1.00 0.46 H new ATOM 0 HB3 PHE A 63 6.881 -1.000 -0.692 1.00 0.46 H new ATOM 0 HD1 PHE A 63 3.840 -0.506 -2.929 1.00 1.78 H new ATOM 0 HD2 PHE A 63 7.956 -1.721 -2.594 1.00 2.02 H new ATOM 0 HE1 PHE A 63 3.836 -1.198 -5.311 1.00 1.74 H new ATOM 0 HE2 PHE A 63 7.974 -2.306 -5.003 1.00 2.08 H new ATOM 0 HZ PHE A 63 5.895 -2.119 -6.349 1.00 0.54 H new ATOM 1008 N VAL A 64 5.416 -1.746 2.127 1.00 0.50 N ATOM 1009 CA VAL A 64 5.912 -1.418 3.453 1.00 0.53 C ATOM 1010 C VAL A 64 7.392 -1.712 3.366 1.00 0.66 C ATOM 1011 O VAL A 64 7.742 -2.712 2.755 1.00 0.80 O ATOM 1012 CB VAL A 64 5.249 -2.282 4.538 1.00 0.68 C ATOM 1013 CG1 VAL A 64 5.769 -1.858 5.918 1.00 0.97 C ATOM 1014 CG2 VAL A 64 3.726 -2.132 4.537 1.00 0.75 C ATOM 0 H VAL A 64 5.368 -2.747 1.935 1.00 0.50 H new ATOM 0 HA VAL A 64 5.695 -0.386 3.730 1.00 0.53 H new ATOM 0 HB VAL A 64 5.499 -3.321 4.324 1.00 0.68 H new ATOM 0 HG11 VAL A 64 5.299 -2.470 6.688 1.00 0.97 H new ATOM 0 HG12 VAL A 64 6.850 -1.993 5.957 1.00 0.97 H new ATOM 0 HG13 VAL A 64 5.528 -0.809 6.091 1.00 0.97 H new ATOM 0 HG21 VAL A 64 3.298 -2.759 5.319 1.00 0.75 H new ATOM 0 HG22 VAL A 64 3.463 -1.091 4.723 1.00 0.75 H new ATOM 0 HG23 VAL A 64 3.331 -2.439 3.569 1.00 0.75 H new ATOM 1024 N ASP A 65 8.271 -0.876 3.917 1.00 0.78 N ATOM 1025 CA ASP A 65 9.701 -1.207 3.957 1.00 1.22 C ATOM 1026 C ASP A 65 10.320 -1.331 2.552 1.00 1.07 C ATOM 1027 O ASP A 65 11.368 -1.947 2.367 1.00 2.01 O ATOM 1028 CB ASP A 65 9.879 -2.530 4.729 1.00 1.85 C ATOM 1029 CG ASP A 65 11.243 -2.639 5.354 1.00 2.54 C ATOM 1030 OD1 ASP A 65 11.518 -1.757 6.197 1.00 2.58 O ATOM 1031 OD2 ASP A 65 11.954 -3.618 5.044 1.00 3.98 O ATOM 0 H ASP A 65 8.028 0.021 4.336 1.00 0.78 H new ATOM 0 HA ASP A 65 10.223 -0.392 4.459 1.00 1.22 H new ATOM 0 HB2 ASP A 65 9.118 -2.602 5.506 1.00 1.85 H new ATOM 0 HB3 ASP A 65 9.723 -3.369 4.051 1.00 1.85 H new ATOM 1036 N GLN A 66 9.633 -0.790 1.542 1.00 0.80 N ATOM 1037 CA GLN A 66 9.913 -0.994 0.127 1.00 0.79 C ATOM 1038 C GLN A 66 9.807 -2.467 -0.305 1.00 0.66 C ATOM 1039 O GLN A 66 10.115 -2.789 -1.451 1.00 0.86 O ATOM 1040 CB GLN A 66 11.245 -0.327 -0.250 1.00 1.01 C ATOM 1041 CG GLN A 66 11.277 0.146 -1.710 1.00 2.17 C ATOM 1042 CD GLN A 66 12.434 1.095 -2.007 1.00 2.65 C ATOM 1043 OE1 GLN A 66 13.109 0.953 -3.020 1.00 3.13 O ATOM 1044 NE2 GLN A 66 12.651 2.111 -1.183 1.00 3.58 N ATOM 0 H GLN A 66 8.835 -0.174 1.699 1.00 0.80 H new ATOM 0 HA GLN A 66 9.131 -0.499 -0.448 1.00 0.79 H new ATOM 0 HB2 GLN A 66 11.419 0.525 0.408 1.00 1.01 H new ATOM 0 HB3 GLN A 66 12.060 -1.031 -0.082 1.00 1.01 H new ATOM 0 HG2 GLN A 66 11.350 -0.722 -2.365 1.00 2.17 H new ATOM 0 HG3 GLN A 66 10.337 0.645 -1.945 1.00 2.17 H new ATOM 0 HE21 GLN A 66 12.082 2.217 -0.343 1.00 3.58 H new ATOM 0 HE22 GLN A 66 13.387 2.786 -1.389 1.00 3.58 H new ATOM 1053 N GLN A 67 9.337 -3.358 0.564 1.00 0.57 N ATOM 1054 CA GLN A 67 8.802 -4.654 0.207 1.00 0.59 C ATOM 1055 C GLN A 67 7.420 -4.350 -0.368 1.00 0.45 C ATOM 1056 O GLN A 67 6.623 -3.665 0.272 1.00 0.46 O ATOM 1057 CB GLN A 67 8.754 -5.523 1.481 1.00 0.68 C ATOM 1058 CG GLN A 67 7.738 -6.675 1.505 1.00 0.81 C ATOM 1059 CD GLN A 67 8.330 -7.988 1.032 1.00 1.38 C ATOM 1060 OE1 GLN A 67 8.498 -8.200 -0.165 1.00 3.01 O ATOM 1061 NE2 GLN A 67 8.669 -8.870 1.965 1.00 1.73 N ATOM 0 H GLN A 67 9.321 -3.184 1.569 1.00 0.57 H new ATOM 0 HA GLN A 67 9.394 -5.210 -0.520 1.00 0.59 H new ATOM 0 HB2 GLN A 67 9.747 -5.944 1.641 1.00 0.68 H new ATOM 0 HB3 GLN A 67 8.545 -4.870 2.328 1.00 0.68 H new ATOM 0 HG2 GLN A 67 7.358 -6.797 2.519 1.00 0.81 H new ATOM 0 HG3 GLN A 67 6.887 -6.417 0.874 1.00 0.81 H new ATOM 0 HE21 GLN A 67 8.513 -8.656 2.950 1.00 1.73 H new ATOM 0 HE22 GLN A 67 9.085 -9.762 1.697 1.00 1.73 H new ATOM 1070 N HIS A 68 7.138 -4.833 -1.571 1.00 0.49 N ATOM 1071 CA HIS A 68 5.803 -4.782 -2.149 1.00 0.44 C ATOM 1072 C HIS A 68 4.877 -5.651 -1.300 1.00 0.44 C ATOM 1073 O HIS A 68 5.201 -6.815 -1.070 1.00 0.51 O ATOM 1074 CB HIS A 68 5.865 -5.288 -3.592 1.00 0.57 C ATOM 1075 CG HIS A 68 4.525 -5.693 -4.139 1.00 0.68 C ATOM 1076 ND1 HIS A 68 4.160 -6.976 -4.476 1.00 1.01 N ATOM 1077 CD2 HIS A 68 3.430 -4.887 -4.293 1.00 0.64 C ATOM 1078 CE1 HIS A 68 2.866 -6.943 -4.833 1.00 0.97 C ATOM 1079 NE2 HIS A 68 2.385 -5.689 -4.756 1.00 0.76 N ATOM 0 H HIS A 68 7.832 -5.273 -2.175 1.00 0.49 H new ATOM 0 HA HIS A 68 5.419 -3.762 -2.160 1.00 0.44 H new ATOM 0 HB2 HIS A 68 6.287 -4.508 -4.225 1.00 0.57 H new ATOM 0 HB3 HIS A 68 6.543 -6.140 -3.642 1.00 0.57 H new ATOM 0 HD2 HIS A 68 3.383 -3.827 -4.093 1.00 0.64 H new ATOM 0 HE1 HIS A 68 2.291 -7.804 -5.140 1.00 0.97 H new ATOM 0 HE2 HIS A 68 1.440 -5.383 -4.990 1.00 0.76 H new ATOM 1087 N ILE A 69 3.747 -5.101 -0.854 1.00 0.51 N ATOM 1088 CA ILE A 69 2.800 -5.781 0.020 1.00 0.48 C ATOM 1089 C ILE A 69 1.465 -6.036 -0.678 1.00 0.56 C ATOM 1090 O ILE A 69 0.903 -7.115 -0.492 1.00 1.01 O ATOM 1091 CB ILE A 69 2.655 -4.981 1.325 1.00 0.62 C ATOM 1092 CG1 ILE A 69 3.937 -5.047 2.172 1.00 0.79 C ATOM 1093 CG2 ILE A 69 1.449 -5.421 2.154 1.00 0.87 C ATOM 1094 CD1 ILE A 69 4.412 -6.464 2.495 1.00 0.90 C ATOM 0 H ILE A 69 3.462 -4.152 -1.097 1.00 0.51 H new ATOM 0 HA ILE A 69 3.184 -6.770 0.271 1.00 0.48 H new ATOM 0 HB ILE A 69 2.486 -3.946 1.028 1.00 0.62 H new ATOM 0 HG12 ILE A 69 4.733 -4.522 1.644 1.00 0.79 H new ATOM 0 HG13 ILE A 69 3.768 -4.512 3.107 1.00 0.79 H new ATOM 0 HG21 ILE A 69 1.395 -4.823 3.064 1.00 0.87 H new ATOM 0 HG22 ILE A 69 0.537 -5.281 1.573 1.00 0.87 H new ATOM 0 HG23 ILE A 69 1.553 -6.474 2.417 1.00 0.87 H new ATOM 0 HD11 ILE A 69 5.321 -6.415 3.095 1.00 0.90 H new ATOM 0 HD12 ILE A 69 3.637 -6.989 3.053 1.00 0.90 H new ATOM 0 HD13 ILE A 69 4.617 -6.999 1.568 1.00 0.90 H new ATOM 1106 N GLY A 70 0.956 -5.075 -1.452 1.00 0.53 N ATOM 1107 CA GLY A 70 -0.252 -5.260 -2.254 1.00 0.60 C ATOM 1108 C GLY A 70 -1.434 -4.444 -1.722 1.00 0.55 C ATOM 1109 O GLY A 70 -1.240 -3.344 -1.200 1.00 0.90 O ATOM 0 H GLY A 70 1.371 -4.147 -1.539 1.00 0.53 H new ATOM 0 HA2 GLY A 70 -0.049 -4.971 -3.285 1.00 0.60 H new ATOM 0 HA3 GLY A 70 -0.519 -6.317 -2.266 1.00 0.60 H new ATOM 1113 N GLY A 71 -2.656 -4.959 -1.884 1.00 0.58 N ATOM 1114 CA GLY A 71 -3.895 -4.255 -1.587 1.00 0.63 C ATOM 1115 C GLY A 71 -4.253 -4.341 -0.108 1.00 0.51 C ATOM 1116 O GLY A 71 -3.448 -4.776 0.710 1.00 0.52 O ATOM 0 H GLY A 71 -2.809 -5.904 -2.236 1.00 0.58 H new ATOM 0 HA2 GLY A 71 -3.797 -3.209 -1.877 1.00 0.63 H new ATOM 0 HA3 GLY A 71 -4.705 -4.677 -2.182 1.00 0.63 H new ATOM 1120 N TYR A 72 -5.463 -3.908 0.258 1.00 0.51 N ATOM 1121 CA TYR A 72 -5.902 -3.913 1.648 1.00 0.46 C ATOM 1122 C TYR A 72 -5.827 -5.316 2.232 1.00 0.47 C ATOM 1123 O TYR A 72 -5.260 -5.485 3.304 1.00 0.46 O ATOM 1124 CB TYR A 72 -7.329 -3.351 1.784 1.00 0.51 C ATOM 1125 CG TYR A 72 -8.035 -3.730 3.069 1.00 0.48 C ATOM 1126 CD1 TYR A 72 -7.796 -3.020 4.258 1.00 1.36 C ATOM 1127 CD2 TYR A 72 -8.856 -4.870 3.090 1.00 1.12 C ATOM 1128 CE1 TYR A 72 -8.464 -3.388 5.436 1.00 1.38 C ATOM 1129 CE2 TYR A 72 -9.465 -5.281 4.285 1.00 1.19 C ATOM 1130 CZ TYR A 72 -9.305 -4.511 5.446 1.00 0.69 C ATOM 1131 OH TYR A 72 -10.186 -4.670 6.472 1.00 1.08 O ATOM 0 H TYR A 72 -6.157 -3.548 -0.397 1.00 0.51 H new ATOM 0 HA TYR A 72 -5.229 -3.266 2.210 1.00 0.46 H new ATOM 0 HB2 TYR A 72 -7.286 -2.264 1.716 1.00 0.51 H new ATOM 0 HB3 TYR A 72 -7.925 -3.700 0.941 1.00 0.51 H new ATOM 0 HD1 TYR A 72 -7.100 -2.194 4.265 1.00 1.36 H new ATOM 0 HD2 TYR A 72 -9.019 -5.432 2.182 1.00 1.12 H new ATOM 0 HE1 TYR A 72 -8.331 -2.806 6.336 1.00 1.38 H new ATOM 0 HE2 TYR A 72 -10.054 -6.186 4.311 1.00 1.19 H new ATOM 0 HH TYR A 72 -10.455 -3.791 6.812 1.00 1.08 H new ATOM 1141 N THR A 73 -6.411 -6.311 1.574 1.00 0.57 N ATOM 1142 CA THR A 73 -6.371 -7.687 2.050 1.00 0.63 C ATOM 1143 C THR A 73 -4.936 -8.101 2.396 1.00 0.57 C ATOM 1144 O THR A 73 -4.635 -8.589 3.486 1.00 0.60 O ATOM 1145 CB THR A 73 -6.954 -8.581 0.945 1.00 0.87 C ATOM 1146 OG1 THR A 73 -6.528 -8.150 -0.340 1.00 1.97 O ATOM 1147 CG2 THR A 73 -8.482 -8.509 0.963 1.00 1.43 C ATOM 0 H THR A 73 -6.923 -6.187 0.700 1.00 0.57 H new ATOM 0 HA THR A 73 -6.959 -7.790 2.962 1.00 0.63 H new ATOM 0 HB THR A 73 -6.606 -9.597 1.134 1.00 0.87 H new ATOM 0 HG1 THR A 73 -5.549 -8.150 -0.377 1.00 1.97 H new ATOM 0 HG21 THR A 73 -8.886 -9.146 0.176 1.00 1.43 H new ATOM 0 HG22 THR A 73 -8.851 -8.850 1.930 1.00 1.43 H new ATOM 0 HG23 THR A 73 -8.800 -7.480 0.795 1.00 1.43 H new ATOM 1155 N ASP A 74 -4.050 -7.875 1.436 1.00 0.57 N ATOM 1156 CA ASP A 74 -2.672 -8.312 1.423 1.00 0.62 C ATOM 1157 C ASP A 74 -1.934 -7.604 2.553 1.00 0.56 C ATOM 1158 O ASP A 74 -1.106 -8.178 3.261 1.00 0.62 O ATOM 1159 CB ASP A 74 -2.063 -7.944 0.060 1.00 0.74 C ATOM 1160 CG ASP A 74 -2.987 -8.201 -1.114 1.00 1.07 C ATOM 1161 OD1 ASP A 74 -4.013 -7.495 -1.237 1.00 2.18 O ATOM 1162 OD2 ASP A 74 -2.724 -9.135 -1.894 1.00 1.59 O ATOM 0 H ASP A 74 -4.295 -7.349 0.597 1.00 0.57 H new ATOM 0 HA ASP A 74 -2.594 -9.389 1.569 1.00 0.62 H new ATOM 0 HB2 ASP A 74 -1.787 -6.890 0.069 1.00 0.74 H new ATOM 0 HB3 ASP A 74 -1.144 -8.513 -0.082 1.00 0.74 H new ATOM 1167 N PHE A 75 -2.226 -6.320 2.699 1.00 0.51 N ATOM 1168 CA PHE A 75 -1.638 -5.446 3.685 1.00 0.49 C ATOM 1169 C PHE A 75 -2.152 -5.813 5.074 1.00 0.50 C ATOM 1170 O PHE A 75 -1.408 -5.742 6.049 1.00 0.58 O ATOM 1171 CB PHE A 75 -2.037 -4.014 3.307 1.00 0.49 C ATOM 1172 CG PHE A 75 -1.602 -2.911 4.244 1.00 0.52 C ATOM 1173 CD1 PHE A 75 -0.336 -2.930 4.861 1.00 1.89 C ATOM 1174 CD2 PHE A 75 -2.452 -1.809 4.427 1.00 2.00 C ATOM 1175 CE1 PHE A 75 0.065 -1.857 5.674 1.00 1.87 C ATOM 1176 CE2 PHE A 75 -2.048 -0.742 5.236 1.00 2.01 C ATOM 1177 CZ PHE A 75 -0.794 -0.763 5.858 1.00 0.58 C ATOM 0 H PHE A 75 -2.908 -5.846 2.106 1.00 0.51 H new ATOM 0 HA PHE A 75 -0.552 -5.540 3.706 1.00 0.49 H new ATOM 0 HB2 PHE A 75 -1.631 -3.799 2.319 1.00 0.49 H new ATOM 0 HB3 PHE A 75 -3.123 -3.976 3.220 1.00 0.49 H new ATOM 0 HD1 PHE A 75 0.326 -3.769 4.709 1.00 1.89 H new ATOM 0 HD2 PHE A 75 -3.417 -1.785 3.943 1.00 2.00 H new ATOM 0 HE1 PHE A 75 1.031 -1.874 6.156 1.00 1.87 H new ATOM 0 HE2 PHE A 75 -2.706 0.102 5.381 1.00 2.01 H new ATOM 0 HZ PHE A 75 -0.487 0.064 6.481 1.00 0.58 H new ATOM 1187 N ALA A 76 -3.427 -6.172 5.196 1.00 0.53 N ATOM 1188 CA ALA A 76 -4.032 -6.581 6.451 1.00 0.56 C ATOM 1189 C ALA A 76 -3.326 -7.841 6.927 1.00 0.58 C ATOM 1190 O ALA A 76 -2.922 -7.938 8.089 1.00 0.69 O ATOM 1191 CB ALA A 76 -5.535 -6.798 6.267 1.00 0.62 C ATOM 0 H ALA A 76 -4.076 -6.186 4.409 1.00 0.53 H new ATOM 0 HA ALA A 76 -3.917 -5.805 7.208 1.00 0.56 H new ATOM 0 HB1 ALA A 76 -5.977 -7.104 7.215 1.00 0.62 H new ATOM 0 HB2 ALA A 76 -5.999 -5.870 5.934 1.00 0.62 H new ATOM 0 HB3 ALA A 76 -5.702 -7.575 5.521 1.00 0.62 H new ATOM 1197 N ALA A 77 -3.162 -8.797 6.013 1.00 0.57 N ATOM 1198 CA ALA A 77 -2.367 -9.980 6.266 1.00 0.60 C ATOM 1199 C ALA A 77 -0.984 -9.577 6.771 1.00 0.58 C ATOM 1200 O ALA A 77 -0.600 -9.983 7.866 1.00 0.66 O ATOM 1201 CB ALA A 77 -2.295 -10.850 5.011 1.00 0.64 C ATOM 0 H ALA A 77 -3.578 -8.766 5.082 1.00 0.57 H new ATOM 0 HA ALA A 77 -2.840 -10.579 7.044 1.00 0.60 H new ATOM 0 HB1 ALA A 77 -1.694 -11.736 5.216 1.00 0.64 H new ATOM 0 HB2 ALA A 77 -3.301 -11.153 4.720 1.00 0.64 H new ATOM 0 HB3 ALA A 77 -1.839 -10.282 4.200 1.00 0.64 H new ATOM 1207 N TRP A 78 -0.252 -8.755 6.014 1.00 0.55 N ATOM 1208 CA TRP A 78 1.121 -8.428 6.380 1.00 0.57 C ATOM 1209 C TRP A 78 1.130 -7.837 7.796 1.00 0.56 C ATOM 1210 O TRP A 78 1.916 -8.251 8.647 1.00 0.58 O ATOM 1211 CB TRP A 78 1.743 -7.430 5.393 1.00 0.59 C ATOM 1212 CG TRP A 78 3.135 -7.003 5.770 1.00 0.69 C ATOM 1213 CD1 TRP A 78 4.263 -7.656 5.407 1.00 0.84 C ATOM 1214 CD2 TRP A 78 3.578 -5.944 6.675 1.00 0.74 C ATOM 1215 NE1 TRP A 78 5.365 -7.045 5.964 1.00 0.96 N ATOM 1216 CE2 TRP A 78 4.998 -6.006 6.791 1.00 0.93 C ATOM 1217 CE3 TRP A 78 2.924 -4.945 7.423 1.00 0.74 C ATOM 1218 CZ2 TRP A 78 5.720 -5.140 7.624 1.00 1.10 C ATOM 1219 CZ3 TRP A 78 3.629 -4.120 8.318 1.00 0.94 C ATOM 1220 CH2 TRP A 78 5.024 -4.232 8.437 1.00 1.11 C ATOM 0 H TRP A 78 -0.584 -8.312 5.157 1.00 0.55 H new ATOM 0 HA TRP A 78 1.718 -9.340 6.347 1.00 0.57 H new ATOM 0 HB2 TRP A 78 1.765 -7.879 4.400 1.00 0.59 H new ATOM 0 HB3 TRP A 78 1.105 -6.548 5.330 1.00 0.59 H new ATOM 0 HD1 TRP A 78 4.295 -8.529 4.773 1.00 0.84 H new ATOM 0 HE1 TRP A 78 6.329 -7.326 5.787 1.00 0.96 H new ATOM 0 HE3 TRP A 78 1.859 -4.810 7.307 1.00 0.74 H new ATOM 0 HZ2 TRP A 78 6.799 -5.171 7.640 1.00 1.10 H new ATOM 0 HZ3 TRP A 78 3.095 -3.397 8.917 1.00 0.94 H new ATOM 0 HH2 TRP A 78 5.558 -3.622 9.151 1.00 1.11 H new ATOM 1231 N VAL A 79 0.250 -6.862 8.045 1.00 0.60 N ATOM 1232 CA VAL A 79 0.152 -6.182 9.324 1.00 0.68 C ATOM 1233 C VAL A 79 -0.048 -7.191 10.440 1.00 0.68 C ATOM 1234 O VAL A 79 0.748 -7.198 11.373 1.00 0.75 O ATOM 1235 CB VAL A 79 -0.930 -5.085 9.307 1.00 0.81 C ATOM 1236 CG1 VAL A 79 -1.403 -4.696 10.714 1.00 0.86 C ATOM 1237 CG2 VAL A 79 -0.355 -3.828 8.641 1.00 0.89 C ATOM 0 H VAL A 79 -0.418 -6.525 7.352 1.00 0.60 H new ATOM 0 HA VAL A 79 1.092 -5.665 9.516 1.00 0.68 H new ATOM 0 HB VAL A 79 -1.783 -5.485 8.759 1.00 0.81 H new ATOM 0 HG11 VAL A 79 -2.165 -3.920 10.640 1.00 0.86 H new ATOM 0 HG12 VAL A 79 -1.823 -5.570 11.211 1.00 0.86 H new ATOM 0 HG13 VAL A 79 -0.558 -4.321 11.291 1.00 0.86 H new ATOM 0 HG21 VAL A 79 -1.114 -3.046 8.624 1.00 0.89 H new ATOM 0 HG22 VAL A 79 0.511 -3.481 9.205 1.00 0.89 H new ATOM 0 HG23 VAL A 79 -0.053 -4.063 7.620 1.00 0.89 H new ATOM 1247 N LYS A 80 -1.081 -8.032 10.391 1.00 0.74 N ATOM 1248 CA LYS A 80 -1.286 -8.939 11.513 1.00 0.94 C ATOM 1249 C LYS A 80 -0.062 -9.846 11.670 1.00 1.12 C ATOM 1250 O LYS A 80 0.414 -10.072 12.776 1.00 2.13 O ATOM 1251 CB LYS A 80 -2.619 -9.688 11.415 1.00 1.09 C ATOM 1252 CG LYS A 80 -2.589 -10.859 10.429 1.00 2.09 C ATOM 1253 CD LYS A 80 -3.909 -11.634 10.393 1.00 2.68 C ATOM 1254 CE LYS A 80 -3.600 -13.105 10.112 1.00 4.45 C ATOM 1255 NZ LYS A 80 -3.170 -13.817 11.334 1.00 5.43 N ATOM 0 H LYS A 80 -1.755 -8.103 9.629 1.00 0.74 H new ATOM 0 HA LYS A 80 -1.374 -8.362 12.433 1.00 0.94 H new ATOM 0 HB2 LYS A 80 -2.891 -10.061 12.402 1.00 1.09 H new ATOM 0 HB3 LYS A 80 -3.399 -8.989 11.113 1.00 1.09 H new ATOM 0 HG2 LYS A 80 -2.366 -10.483 9.431 1.00 2.09 H new ATOM 0 HG3 LYS A 80 -1.781 -11.538 10.702 1.00 2.09 H new ATOM 0 HD2 LYS A 80 -4.434 -11.532 11.343 1.00 2.68 H new ATOM 0 HD3 LYS A 80 -4.564 -11.230 9.621 1.00 2.68 H new ATOM 0 HE2 LYS A 80 -4.485 -13.590 9.700 1.00 4.45 H new ATOM 0 HE3 LYS A 80 -2.818 -13.174 9.356 1.00 4.45 H new ATOM 0 HZ1 LYS A 80 -2.731 -14.723 11.072 1.00 5.43 H new ATOM 0 HZ2 LYS A 80 -2.480 -13.235 11.850 1.00 5.43 H new ATOM 0 HZ3 LYS A 80 -3.996 -13.995 11.941 1.00 5.43 H new ATOM 1269 N GLU A 81 0.496 -10.312 10.555 1.00 0.85 N ATOM 1270 CA GLU A 81 1.666 -11.167 10.556 1.00 0.90 C ATOM 1271 C GLU A 81 2.954 -10.453 10.996 1.00 0.88 C ATOM 1272 O GLU A 81 4.000 -11.103 11.038 1.00 1.25 O ATOM 1273 CB GLU A 81 1.784 -11.821 9.175 1.00 1.06 C ATOM 1274 CG GLU A 81 0.643 -12.839 8.982 1.00 2.15 C ATOM 1275 CD GLU A 81 1.177 -14.142 8.450 1.00 2.62 C ATOM 1276 OE1 GLU A 81 1.830 -14.861 9.236 1.00 3.81 O ATOM 1277 OE2 GLU A 81 0.975 -14.415 7.248 1.00 2.63 O ATOM 0 H GLU A 81 0.141 -10.102 9.622 1.00 0.85 H new ATOM 0 HA GLU A 81 1.534 -11.940 11.313 1.00 0.90 H new ATOM 0 HB2 GLU A 81 1.740 -11.059 8.397 1.00 1.06 H new ATOM 0 HB3 GLU A 81 2.749 -12.319 9.079 1.00 1.06 H new ATOM 0 HG2 GLU A 81 0.136 -13.009 9.932 1.00 2.15 H new ATOM 0 HG3 GLU A 81 -0.098 -12.435 8.292 1.00 2.15 H new ATOM 1284 N ASN A 82 2.906 -9.163 11.334 1.00 0.95 N ATOM 1285 CA ASN A 82 4.031 -8.414 11.888 1.00 1.13 C ATOM 1286 C ASN A 82 3.682 -7.951 13.294 1.00 1.27 C ATOM 1287 O ASN A 82 4.391 -8.241 14.253 1.00 1.57 O ATOM 1288 CB ASN A 82 4.374 -7.212 10.997 1.00 1.38 C ATOM 1289 CG ASN A 82 5.263 -7.620 9.831 1.00 1.43 C ATOM 1290 OD1 ASN A 82 6.446 -7.290 9.793 1.00 2.05 O ATOM 1291 ND2 ASN A 82 4.721 -8.347 8.866 1.00 1.24 N ATOM 0 H ASN A 82 2.063 -8.599 11.227 1.00 0.95 H new ATOM 0 HA ASN A 82 4.906 -9.062 11.928 1.00 1.13 H new ATOM 0 HB2 ASN A 82 3.455 -6.765 10.617 1.00 1.38 H new ATOM 0 HB3 ASN A 82 4.878 -6.449 11.591 1.00 1.38 H new ATOM 0 HD21 ASN A 82 5.288 -8.644 8.072 1.00 1.24 H new ATOM 0 HD22 ASN A 82 3.737 -8.610 8.917 1.00 1.24 H new ATOM 1298 N LEU A 83 2.580 -7.219 13.418 1.00 1.21 N ATOM 1299 CA LEU A 83 2.186 -6.550 14.643 1.00 1.39 C ATOM 1300 C LEU A 83 1.440 -7.491 15.590 1.00 1.40 C ATOM 1301 O LEU A 83 1.221 -7.129 16.749 1.00 1.94 O ATOM 1302 CB LEU A 83 1.281 -5.353 14.310 1.00 1.53 C ATOM 1303 CG LEU A 83 1.858 -4.329 13.312 1.00 1.40 C ATOM 1304 CD1 LEU A 83 1.003 -3.056 13.344 1.00 1.87 C ATOM 1305 CD2 LEU A 83 3.308 -3.944 13.619 1.00 1.53 C ATOM 0 H LEU A 83 1.925 -7.074 12.650 1.00 1.21 H new ATOM 0 HA LEU A 83 3.095 -6.214 15.142 1.00 1.39 H new ATOM 0 HB2 LEU A 83 0.342 -5.733 13.908 1.00 1.53 H new ATOM 0 HB3 LEU A 83 1.043 -4.833 15.238 1.00 1.53 H new ATOM 0 HG LEU A 83 1.841 -4.801 12.330 1.00 1.40 H new ATOM 0 HD11 LEU A 83 1.407 -2.329 12.640 1.00 1.87 H new ATOM 0 HD12 LEU A 83 -0.022 -3.299 13.066 1.00 1.87 H new ATOM 0 HD13 LEU A 83 1.016 -2.634 14.349 1.00 1.87 H new ATOM 0 HD21 LEU A 83 3.656 -3.221 12.882 1.00 1.53 H new ATOM 0 HD22 LEU A 83 3.364 -3.503 14.614 1.00 1.53 H new ATOM 0 HD23 LEU A 83 3.937 -4.834 13.580 1.00 1.53 H new ATOM 1317 N ASP A 84 0.975 -8.641 15.104 1.00 1.41 N ATOM 1318 CA ASP A 84 0.195 -9.622 15.854 1.00 1.70 C ATOM 1319 C ASP A 84 0.666 -11.041 15.494 1.00 2.98 C ATOM 1320 O ASP A 84 -0.129 -11.929 15.196 1.00 3.69 O ATOM 1321 CB ASP A 84 -1.302 -9.386 15.574 1.00 1.86 C ATOM 1322 CG ASP A 84 -2.208 -10.422 16.203 1.00 2.75 C ATOM 1323 OD1 ASP A 84 -2.124 -10.591 17.435 1.00 3.42 O ATOM 1324 OD2 ASP A 84 -3.020 -11.010 15.450 1.00 3.72 O ATOM 0 H ASP A 84 1.138 -8.925 14.138 1.00 1.41 H new ATOM 0 HA ASP A 84 0.346 -9.509 16.927 1.00 1.70 H new ATOM 0 HB2 ASP A 84 -1.581 -8.399 15.944 1.00 1.86 H new ATOM 0 HB3 ASP A 84 -1.465 -9.380 14.496 1.00 1.86 H new ATOM 1329 N ALA A 85 1.977 -11.251 15.477 1.00 4.09 N ATOM 1330 CA ALA A 85 2.594 -12.542 15.224 1.00 5.81 C ATOM 1331 C ALA A 85 4.061 -12.410 15.586 1.00 6.94 C ATOM 1332 O ALA A 85 4.667 -11.418 15.195 1.00 7.50 O ATOM 1333 CB ALA A 85 2.449 -12.924 13.752 1.00 6.77 C ATOM 1334 OXT ALA A 85 4.698 -13.373 16.001 1.00 7.80 O ATOM 0 H ALA A 85 2.655 -10.507 15.643 1.00 4.09 H new ATOM 0 HA ALA A 85 2.113 -13.321 15.816 1.00 5.81 H new ATOM 0 HB1 ALA A 85 2.917 -13.893 13.580 1.00 6.77 H new ATOM 0 HB2 ALA A 85 1.392 -12.980 13.493 1.00 6.77 H new ATOM 0 HB3 ALA A 85 2.935 -12.171 13.131 1.00 6.77 H new TER 1340 ALA A 85 HETATM 1341 N1 GSH A 86 -7.323 -6.887 -2.492 1.00 2.57 N HETATM 1342 CA1 GSH A 86 -7.828 -5.604 -2.906 1.00 1.25 C HETATM 1343 C1 GSH A 86 -8.604 -5.124 -1.692 1.00 1.75 C HETATM 1344 O11 GSH A 86 -9.786 -4.832 -1.836 1.00 2.99 O HETATM 1345 O12 GSH A 86 -8.127 -5.460 -0.611 1.00 2.50 O HETATM 1346 CB1 GSH A 86 -8.665 -5.791 -4.175 1.00 1.40 C HETATM 1347 CG1 GSH A 86 -9.092 -4.453 -4.779 1.00 1.98 C HETATM 1348 CD1 GSH A 86 -9.706 -4.585 -6.163 1.00 1.67 C HETATM 1349 OE1 GSH A 86 -9.788 -5.665 -6.740 1.00 1.84 O HETATM 1350 N2 GSH A 86 -10.067 -3.440 -6.728 1.00 1.69 N HETATM 1351 CA2 GSH A 86 -10.646 -3.350 -8.057 1.00 1.65 C HETATM 1352 C2 GSH A 86 -9.578 -3.421 -9.120 1.00 1.45 C HETATM 1353 O2 GSH A 86 -8.977 -2.404 -9.466 1.00 2.12 O HETATM 1354 CB2 GSH A 86 -11.508 -2.099 -8.211 1.00 2.06 C HETATM 1355 SG2 GSH A 86 -12.989 -2.122 -7.190 1.00 1.73 S HETATM 1356 N3 GSH A 86 -9.339 -4.626 -9.623 1.00 1.33 N HETATM 1357 CA3 GSH A 86 -8.707 -4.779 -10.917 1.00 1.71 C HETATM 1358 C3 GSH A 86 -9.753 -4.409 -11.972 1.00 2.51 C HETATM 1359 O31 GSH A 86 -10.826 -3.927 -11.600 1.00 3.44 O HETATM 1360 O32 GSH A 86 -9.733 -4.981 -13.052 1.00 3.29 O HETATM 0 HN12 GSH A 86 -6.754 -7.442 -3.131 1.00 2.57 H new HETATM 0 HN11 GSH A 86 -7.534 -7.242 -1.559 1.00 2.57 H new HETATM 0 HG13 GSH A 86 -9.812 -3.976 -4.114 1.00 1.98 H new HETATM 0 HG12 GSH A 86 -8.225 -3.795 -4.835 1.00 1.98 H new HETATM 0 HB23 GSH A 86 -10.913 -1.223 -7.955 1.00 2.06 H new HETATM 0 HB22 GSH A 86 -11.798 -1.993 -9.256 1.00 2.06 H new HETATM 0 HB13 GSH A 86 -8.089 -6.354 -4.910 1.00 1.40 H new HETATM 0 HB12 GSH A 86 -9.550 -6.383 -3.942 1.00 1.40 H new HETATM 0 HA32 GSH A 86 -7.832 -4.133 -10.998 1.00 1.71 H new HETATM 0 HA31 GSH A 86 -8.361 -5.803 -11.059 1.00 1.71 H new HETATM 0 HN3 GSH A 86 -9.604 -5.455 -9.091 1.00 1.33 H new HETATM 0 HN2 GSH A 86 -9.931 -2.577 -6.201 1.00 1.69 H new HETATM 0 HA2 GSH A 86 -11.302 -4.210 -8.190 1.00 1.65 H new HETATM 0 HA1 GSH A 86 -7.077 -4.863 -3.181 1.00 1.25 H new